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_B 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 5.332 125.507 120.400 -0.377 0.000 2.422 7 K HA 0.460 nan 4.320 nan 0.000 0.251 7 K C -2.127 174.129 176.600 -0.572 0.000 0.933 7 K CA -1.222 54.786 56.287 -0.465 0.000 0.798 7 K CB 4.574 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 0.078 119.980 119.950 -0.080 0.000 2.522 8 F HA 0.654 nan 4.527 nan 0.000 0.324 8 F C 0.528 176.297 175.800 -0.051 0.000 1.077 8 F CA -0.744 57.229 58.000 -0.045 0.000 0.944 8 F CB 2.778 41.760 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 1.148 110.060 108.800 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 0.168 175.088 174.900 0.033 0.000 1.299 9 G CA 1.305 46.460 45.100 0.092 0.000 0.989 9 G HN 0.497 8.931 8.290 0.240 0.000 0.547 10 N N 3.325 122.037 118.700 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 -0.167 38.320 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 -0.602 119.777 120.400 -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 2.784 56.730 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 -0.606 122.142 122.820 -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 2.459 54.419 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 0.166 8.108 8.150 -0.065 0.169 0.446 13 G N -1.537 107.245 108.800 -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 1.079 175.973 174.900 -0.010 0.000 1.150 13 G CA 2.010 47.105 45.100 -0.009 0.000 0.776 13 G HN -0.243 7.936 8.290 -0.029 0.094 0.542 14 V N -2.638 117.261 119.914 -0.025 0.000 2.626 14 V HA -0.134 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 3.017 65.306 62.300 -0.019 0.000 1.081 14 V CB -0.893 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 0.059 120.448 120.400 -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 1.812 58.114 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 -0.689 7.400 8.250 -0.043 0.136 0.447 16 M N -0.446 119.181 119.600 0.044 0.000 2.117 16 M HA -0.336 nan 4.480 nan 0.000 0.262 16 M C 2.420 178.737 176.300 0.029 0.000 1.065 16 M CA 3.843 59.169 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 -1.523 119.712 121.223 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 3.258 58.107 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 -0.251 7.984 8.230 0.017 0.005 0.433 18 R N -1.663 118.848 120.500 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 -0.258 8.022 8.270 0.016 0.000 0.442 19 G N -4.967 103.848 108.800 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 0.574 175.484 174.900 0.017 0.000 1.160 19 G CA 0.613 45.726 45.100 0.022 0.000 0.770 19 G HN -0.443 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 -0.272 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 7.745 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 -0.275 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 3.422 56.477 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 -0.045 8.343 8.380 0.012 0.000 0.426 22 V N 0.574 120.493 119.914 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 4.050 66.354 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 -0.751 7.354 8.190 0.010 0.091 0.445 23 L N -0.856 120.371 121.223 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 3.332 58.175 54.840 0.005 0.000 0.755 23 L CB -0.801 41.261 42.059 0.006 0.000 0.889 23 L HN -0.797 7.437 8.230 0.008 0.000 0.432 24 A N -2.155 120.670 122.820 0.007 0.000 1.877 24 A HA -0.406 nan 4.320 nan 0.000 0.216 24 A C 1.948 179.535 177.584 0.006 0.000 1.186 24 A CA 3.391 55.433 52.037 0.007 0.000 0.620 24 A CB -1.001 18.005 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 -1.211 119.192 120.400 0.005 0.000 2.182 25 D HA -0.265 nan 4.640 nan 0.000 0.201 25 D C 1.487 177.789 176.300 0.004 0.000 0.986 25 D CA 2.839 56.842 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 0.181 8.436 8.370 0.006 0.118 0.467 26 A N -2.102 120.720 122.820 0.004 0.000 1.903 26 A HA 0.025 nan 4.320 nan 0.000 0.213 26 A C 1.475 179.061 177.584 0.004 0.000 1.185 26 A CA 2.421 54.460 52.037 0.003 0.000 0.628 26 A CB 0.599 19.601 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 -0.483 31.343 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 -0.020 120.383 120.400 0.005 0.000 2.442 28 K HA -0.248 nan 4.320 nan 0.000 0.198 28 K C 2.481 179.083 176.600 0.004 0.000 1.042 28 K CA 2.732 59.023 56.287 0.005 0.000 0.958 28 K CB -0.577 31.925 32.500 0.005 0.000 0.766 28 K HN 0.046 8.299 8.250 0.005 0.000 0.474 29 V N -0.508 119.408 119.914 0.004 0.000 2.759 29 V HA -0.203 nan 4.120 nan 0.000 0.256 29 V C 1.009 177.106 176.094 0.004 0.000 1.080 29 V CA 3.075 65.377 62.300 0.003 0.000 1.101 29 V CB -0.638 31.186 31.823 0.003 0.000 0.698 29 V HN -0.012 8.009 8.190 0.004 0.171 0.477 30 T N -4.807 109.750 114.554 0.005 0.000 3.081 30 T HA -0.000 nan 4.350 nan 0.000 0.250 30 T C 0.226 174.930 174.700 0.007 0.000 1.100 30 T CA 0.046 62.150 62.100 0.006 0.000 1.038 30 T CB -0.032 68.840 68.868 0.007 0.000 0.962 30 T HN -0.403 7.705 8.240 0.005 0.135 0.516 31 L N 3.390 124.617 121.223 0.007 0.000 2.453 31 L HA -0.095 nan 4.340 nan 0.000 0.272 31 L C -0.229 176.647 176.870 0.009 0.000 1.182 31 L CA 1.384 56.229 54.840 0.008 0.000 0.858 31 L CB 0.405 42.469 42.059 0.007 0.000 1.120 31 L HN -0.720 7.332 8.230 0.006 0.182 0.474 32 G N 3.098 111.905 108.800 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 -1.809 173.099 174.900 0.014 0.000 1.257 32 G CA -0.693 44.416 45.100 0.015 0.000 0.846 32 G HN -0.451 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 -1.004 176.301 177.300 0.009 0.000 1.177 33 P CA 0.803 63.908 63.100 0.009 0.000 0.773 33 P CB 0.262 31.965 31.700 0.005 0.000 0.878 34 K N -1.523 118.884 120.400 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 54.395 56.287 0.011 0.000 1.070 34 K CB -1.188 31.321 32.500 0.015 0.000 0.908 34 K HN -0.080 8.119 8.250 0.016 0.060 0.463 35 G N -0.652 108.154 108.800 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 -1.278 173.626 174.900 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 1.463 121.966 120.500 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 -2.599 53.504 56.100 0.005 0.000 1.087 36 R CB 1.495 31.797 30.300 0.004 0.000 1.132 36 R HN 0.012 8.285 8.270 0.005 0.000 0.531 37 N N -1.342 117.361 118.700 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 0.170 53.223 53.050 0.005 0.000 0.969 37 N CB 1.194 39.684 38.487 0.005 0.000 1.173 37 N HN -0.156 8.227 8.380 0.004 0.000 0.475 38 V N 2.373 122.290 119.914 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 -0.731 61.571 62.300 0.004 0.000 0.872 38 V CB 3.299 35.124 31.823 0.004 0.000 0.998 38 V HN 0.619 8.812 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 -0.343 175.752 176.094 0.001 0.000 1.040 39 V CA -0.889 61.412 62.300 0.003 0.000 0.866 39 V CB -0.991 30.833 31.823 0.002 0.000 1.019 39 V HN 0.330 8.522 8.190 0.002 0.000 0.468 40 L N 9.021 130.246 121.223 0.002 0.000 2.277 40 L HA 0.331 nan 4.340 nan 0.000 0.284 40 L C -0.578 176.291 176.870 -0.001 0.000 1.028 40 L CA -1.346 53.494 54.840 0.000 0.000 0.835 40 L CB 0.544 42.604 42.059 0.003 0.000 1.215 40 L HN 0.791 9.023 8.230 0.004 0.000 0.425 41 D N 5.611 126.008 120.400 -0.006 0.000 2.364 41 D HA -0.168 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 0.993 54.986 54.000 -0.011 0.000 0.891 41 D CB 1.428 42.216 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 0.018 120.406 120.400 -0.020 0.000 2.512 42 K HA 0.254 nan 4.320 nan 0.000 0.263 42 K C 0.815 177.368 176.600 -0.079 0.000 0.966 42 K CA -1.014 55.257 56.287 -0.027 0.000 0.851 42 K CB 2.673 35.181 32.500 0.013 0.000 1.395 42 K HN -0.141 8.097 8.250 -0.019 0.000 0.440 43 S N 1.460 117.072 115.700 -0.147 0.000 2.381 43 S HA -0.264 nan 4.470 nan 0.000 0.230 43 S C 0.493 174.749 174.600 -0.574 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 -0.503 0.000 0.918 43 S HN 0.520 8.770 8.310 -0.100 0.000 0.448 44 F N 2.057 122.003 119.950 -0.006 0.000 2.550 44 F HA 0.152 nan 4.527 nan 0.000 0.312 44 F C -0.068 175.729 175.800 -0.004 0.000 1.256 44 F CA -0.534 57.463 58.000 -0.006 0.000 1.182 44 F CB -0.530 38.466 39.000 -0.007 0.000 1.383 44 F HN -0.638 7.674 8.300 0.021 0.000 0.541 45 G N 1.231 110.083 108.800 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 -1.379 173.555 174.900 0.057 0.000 1.586 45 G CA -0.216 44.921 45.100 0.060 0.000 1.051 45 G HN -0.396 7.837 8.290 0.008 0.061 0.572 46 A N 0.021 122.862 122.820 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 -0.538 51.515 52.037 0.028 0.000 0.696 46 A CB -0.515 18.505 19.000 0.033 0.000 1.175 46 A HN 0.006 8.172 8.150 0.026 0.000 0.279 47 P HA -0.068 nan 4.420 nan 0.000 0.265 47 P C -0.526 176.782 177.300 0.013 0.000 1.187 47 P CA -0.191 62.915 63.100 0.011 0.000 0.766 47 P CB 0.437 32.140 31.700 0.005 0.000 0.820 48 T N -0.235 114.327 114.554 0.013 0.000 2.728 48 T HA 0.282 nan 4.350 nan 0.000 0.296 48 T C -0.172 174.534 174.700 0.010 0.000 0.940 48 T CA -1.071 61.037 62.100 0.013 0.000 1.013 48 T CB 0.411 69.288 68.868 0.015 0.000 0.912 48 T HN 0.221 8.468 8.240 0.011 0.000 0.484 49 I N 7.752 128.327 120.570 0.009 0.000 2.308 49 I HA 0.306 nan 4.170 nan 0.000 0.293 49 I C -0.191 175.931 176.117 0.008 0.000 1.078 49 I CA -0.015 61.290 61.300 0.007 0.000 1.292 49 I CB -0.772 37.232 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 6.499 121.057 114.554 0.008 0.000 2.807 50 T HA 0.565 nan 4.350 nan 0.000 0.277 50 T C -1.161 173.544 174.700 0.007 0.000 1.006 50 T CA -1.912 60.193 62.100 0.008 0.000 1.006 50 T CB 3.142 72.015 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 -2.258 118.147 120.400 0.008 0.000 2.817 51 K HA 0.171 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 0.021 56.313 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 -0.255 120.150 120.400 0.008 0.000 2.414 52 D HA 0.151 nan 4.640 nan 0.000 0.232 52 D C 0.876 177.181 176.300 0.007 0.000 1.070 52 D CA -1.532 52.473 54.000 0.009 0.000 0.839 52 D CB 1.012 41.818 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 5.099 113.903 108.800 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 0.907 175.810 174.900 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 0.408 120.323 119.914 0.003 0.000 2.223 54 V HA -0.437 nan 4.120 nan 0.000 0.244 54 V C 1.892 177.987 176.094 0.003 0.000 1.045 54 V CA 4.068 66.368 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 -0.751 114.952 115.700 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 -0.509 119.408 119.914 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 -0.451 7.730 8.190 0.005 0.012 0.449 57 A N -0.107 122.714 122.820 0.002 0.000 1.972 57 A HA -0.279 nan 4.320 nan 0.000 0.219 57 A C 1.806 179.390 177.584 -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 -0.293 7.859 8.150 0.002 0.000 0.446 58 R N -2.037 118.464 120.500 0.001 0.000 2.159 58 R HA -0.308 nan 4.340 nan 0.000 0.237 58 R C 1.639 177.941 176.300 0.003 0.000 1.131 58 R CA 2.809 58.911 56.100 0.003 0.000 0.982 58 R CB 0.157 30.462 30.300 0.008 0.000 0.868 58 R HN -0.098 8.152 8.270 0.002 0.022 0.453 59 E N -2.663 117.538 120.200 0.002 0.000 2.405 59 E HA 0.020 nan 4.350 nan 0.000 0.214 59 E C -0.641 175.957 176.600 -0.003 0.000 1.101 59 E CA -0.883 55.516 56.400 -0.001 0.000 1.254 59 E CB -0.603 29.096 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 0.741 121.309 120.570 -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 60.813 61.300 -0.004 0.000 1.123 60 I CB 1.300 39.299 38.000 -0.002 0.000 1.237 60 I HN -0.253 7.877 8.210 -0.003 0.079 0.460 61 E N 7.519 127.714 120.200 -0.008 0.000 2.246 61 E HA 0.223 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 0.147 8.502 8.360 -0.008 0.000 0.416 62 L N 4.727 125.944 121.223 -0.009 0.000 2.387 62 L HA 0.221 nan 4.340 nan 0.000 0.266 62 L C 0.384 177.248 176.870 -0.010 0.000 1.059 62 L CA -0.678 54.159 54.840 -0.005 0.000 0.801 62 L CB 1.042 43.104 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 1.063 121.259 120.200 -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 2.163 58.558 56.400 -0.008 0.000 0.814 63 E CB 0.377 30.075 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 1.567 42.406 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 4.721 125.067 120.400 -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 -3.036 116.897 119.950 -0.027 0.000 2.120 66 F HA -0.389 nan 4.527 nan 0.000 0.300 66 F C 2.218 178.004 175.800 -0.023 0.000 1.095 66 F CA 3.950 61.933 58.000 -0.030 0.000 1.249 66 F CB -0.652 38.329 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 -1.868 118.421 120.200 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 2.623 59.071 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 0.225 118.930 118.700 0.009 0.000 2.104 68 N HA -0.341 nan 4.740 nan 0.000 0.190 68 N C 2.056 177.559 175.510 -0.013 0.000 1.024 68 N CA 3.158 56.200 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 -0.779 118.810 119.600 -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 4.108 59.401 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 8.626 8.290 -0.030 0.070 0.413 70 G N -4.065 104.756 108.800 0.036 0.000 2.499 70 G HA2 -0.345 nan 3.960 nan 0.000 0.221 70 G HA3 -0.345 nan 3.960 nan 0.000 0.221 70 G C 0.490 175.403 174.900 0.022 0.000 1.109 70 G CA 2.092 47.213 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 1.985 179.570 177.584 0.003 0.000 1.214 71 A CA 1.562 53.605 52.037 0.009 0.000 0.686 71 A CB -0.110 18.894 19.000 0.007 0.000 0.871 71 A HN -0.399 7.591 8.150 0.015 0.169 0.460 72 Q N -1.380 118.419 119.800 -0.002 0.000 2.364 72 Q HA -0.298 nan 4.340 nan 0.000 0.209 72 Q C 2.496 178.492 176.000 -0.006 0.000 0.977 72 Q CA 2.219 58.017 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 8.520 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 1.549 177.852 176.300 0.006 0.000 1.079 73 M CA 4.340 59.642 55.300 0.005 0.000 1.143 73 M CB 0.101 32.709 32.600 0.012 0.000 1.332 73 M HN -0.423 7.816 8.290 0.004 0.053 0.421 74 V N -1.388 118.532 119.914 0.010 0.000 2.688 74 V HA -0.449 nan 4.120 nan 0.000 0.256 74 V C 2.344 178.438 176.094 -0.000 0.000 1.084 74 V CA 3.813 66.120 62.300 0.012 0.000 1.103 74 V CB -1.586 30.245 31.823 0.015 0.000 0.688 74 V HN -0.061 8.135 8.190 0.011 0.000 0.480 75 K N -2.167 118.229 120.400 -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 -0.243 32.249 32.500 -0.013 0.000 0.741 75 K HN -0.416 7.695 8.250 -0.004 0.137 0.452 76 E N -1.004 119.178 120.200 -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 2.536 58.909 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 -0.989 118.889 119.914 -0.061 0.000 2.302 77 V HA -0.214 nan 4.120 nan 0.000 0.243 77 V C 2.253 178.231 176.094 -0.193 0.000 1.036 77 V CA 3.974 66.220 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 -0.450 7.722 8.190 -0.030 0.000 0.453 78 A N -1.538 121.231 122.820 -0.084 0.000 2.178 78 A HA -0.287 nan 4.320 nan 0.000 0.218 78 A C 1.322 178.823 177.584 -0.138 0.000 1.157 78 A CA 2.829 54.822 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 -3.324 112.279 115.700 -0.161 0.000 2.387 79 S HA -0.266 nan 4.470 nan 0.000 0.226 79 S C 1.764 176.233 174.600 -0.219 0.000 1.026 79 S CA 2.934 61.048 58.200 -0.143 0.000 0.972 79 S CB -0.237 62.900 63.200 -0.104 0.000 0.814 79 S HN -0.369 7.674 8.310 -0.148 0.178 0.477 80 K N 0.667 120.828 120.400 -0.399 0.000 2.515 80 K HA -0.179 nan 4.320 nan 0.000 0.196 80 K C 1.469 177.703 176.600 -0.611 0.000 1.038 80 K CA 1.676 57.618 56.287 -0.575 0.000 0.967 80 K CB -0.468 31.516 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 -0.150 122.413 122.820 -0.428 0.000 1.823 81 A HA -0.227 nan 4.320 nan 0.000 0.214 81 A C 1.126 178.699 177.584 -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 -0.615 7.106 8.150 -0.394 0.193 0.450 82 N N -0.541 118.134 118.700 -0.041 0.000 2.037 82 N HA -0.461 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 3.134 56.163 53.050 -0.034 0.000 0.861 82 N CB -0.226 38.235 38.487 -0.043 0.000 1.039 82 N HN -0.122 8.223 8.380 -0.059 0.000 0.427 83 D N 0.066 120.421 120.400 -0.075 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 7.985 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 0.283 177.893 177.584 0.045 0.000 1.224 84 A CA 1.592 53.654 52.037 0.041 0.000 0.749 84 A CB 0.842 19.912 19.000 0.116 0.000 0.884 84 A HN -0.430 7.595 8.150 -0.011 0.119 0.467 85 A N -4.598 118.254 122.820 0.053 0.000 2.014 85 A HA 0.115 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 0.948 53.015 52.037 0.050 0.000 0.731 85 A CB 0.915 19.958 19.000 0.072 0.000 0.858 85 A HN 0.327 8.510 8.150 0.056 0.000 0.464 86 G N -3.141 105.661 108.800 0.004 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 0.276 45.367 45.100 -0.014 0.000 0.635 86 G HN 0.168 8.345 8.290 0.004 0.115 0.499 87 D N -0.771 119.640 120.400 0.018 0.000 2.714 87 D HA 0.277 nan 4.640 nan 0.000 0.278 87 D C -0.592 175.726 176.300 0.030 0.000 1.102 87 D CA -1.861 52.152 54.000 0.021 0.000 1.108 87 D CB 2.027 42.844 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 -0.327 nan 3.960 nan 0.000 0.209 88 G HA3 -0.327 nan 3.960 nan 0.000 0.209 88 G C 0.815 175.736 174.900 0.034 0.000 0.997 88 G CA 0.695 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 4.040 118.601 114.554 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 67.415 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 0.448 8.693 8.240 0.008 0.000 0.422 90 T N 1.707 116.268 114.554 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 3.526 118.093 114.554 0.022 0.000 2.746 91 T HA -0.242 nan 4.350 nan 0.000 0.267 91 T C 1.411 176.131 174.700 0.033 0.000 1.039 91 T CA 4.588 66.704 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 8.126 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 -0.226 nan 4.320 nan 0.000 0.219 92 A C 2.020 179.630 177.584 0.043 0.000 1.169 92 A CA 3.167 55.240 52.037 0.059 0.000 0.635 92 A CB -0.839 18.209 19.000 0.079 0.000 0.810 92 A HN 0.484 8.456 8.150 0.040 0.202 0.446 93 T N 1.594 116.164 114.554 0.028 0.000 2.942 93 T HA -0.169 nan 4.350 nan 0.000 0.265 93 T C 2.244 176.955 174.700 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 68.612 68.868 0.013 0.000 0.883 93 T HN -0.147 7.986 8.240 0.024 0.121 0.468 94 V N 2.742 122.667 119.914 0.018 0.000 2.379 94 V HA -0.273 nan 4.120 nan 0.000 0.245 94 V C 1.634 177.738 176.094 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 0.016 8.126 8.190 0.020 0.092 0.453 95 L N -1.866 119.370 121.223 0.021 0.000 2.072 95 L HA -0.335 nan 4.340 nan 0.000 0.205 95 L C 1.837 178.721 176.870 0.024 0.000 1.079 95 L CA 3.325 58.178 54.840 0.022 0.000 0.752 95 L CB -0.819 41.256 42.059 0.026 0.000 0.906 95 L HN 0.415 8.660 8.230 0.025 0.000 0.436 96 A N -1.785 121.053 122.820 0.030 0.000 1.933 96 A HA -0.397 nan 4.320 nan 0.000 0.218 96 A C 1.796 179.393 177.584 0.023 0.000 1.175 96 A CA 3.235 55.291 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 0.072 8.130 8.150 0.034 0.112 0.444 97 Q N -0.746 119.065 119.800 0.019 0.000 2.079 97 Q HA -0.301 nan 4.340 nan 0.000 0.200 97 Q C 2.056 178.064 176.000 0.012 0.000 0.974 97 Q CA 2.989 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 -0.370 7.826 8.270 0.020 0.085 0.430 98 A N 0.059 122.886 122.820 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 3.043 55.085 52.037 0.009 0.000 0.620 98 A CB -0.798 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 -1.507 119.071 120.570 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 4.257 65.564 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 -0.163 8.056 8.210 0.014 0.000 0.410 100 I N -0.642 119.937 120.570 0.015 0.000 2.208 100 I HA -0.634 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 4.742 66.051 61.300 0.015 0.000 1.363 100 I CB -0.501 37.509 38.000 0.017 0.000 1.051 100 I HN -0.155 8.065 8.210 0.017 0.000 0.413 101 T N 2.263 116.823 114.554 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 4.948 67.052 62.100 0.008 0.000 1.155 101 T CB -0.538 68.334 68.868 0.007 0.000 0.863 101 T HN -0.157 8.090 8.240 0.011 0.000 0.420 102 E N -0.582 119.621 120.200 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 1.570 57.973 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 0.021 108.825 108.800 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 1.010 175.915 174.900 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 0.497 121.725 121.223 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 2.505 57.350 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 -1.646 118.757 120.400 0.005 0.000 2.152 105 K HA -0.362 nan 4.320 nan 0.000 0.206 105 K C 2.195 178.798 176.600 0.003 0.000 1.048 105 K CA 3.199 59.488 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 -1.008 121.815 122.820 0.004 0.000 1.872 106 A HA -0.082 nan 4.320 nan 0.000 0.214 106 A C 2.102 179.689 177.584 0.005 0.000 1.187 106 A CA 2.661 54.701 52.037 0.004 0.000 0.614 106 A CB -0.623 18.380 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 -0.754 119.164 119.914 0.006 0.000 2.278 107 V HA -0.482 nan 4.120 nan 0.000 0.251 107 V C 2.601 178.699 176.094 0.006 0.000 1.062 107 V CA 3.884 66.189 62.300 0.007 0.000 1.038 107 V CB -1.286 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 0.707 178.293 177.584 0.002 0.000 1.163 108 A CA 2.667 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 -0.157 7.992 8.150 0.005 0.004 0.448 109 A N -3.422 119.399 122.820 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 0.265 19.266 19.000 0.001 0.000 0.823 109 A HN -0.193 7.800 8.150 0.003 0.158 0.482 110 G N -2.981 105.820 108.800 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 44.843 45.100 0.002 0.000 0.632 110 G HN -0.289 7.809 8.290 0.003 0.194 0.503 111 M N 1.054 120.656 119.600 0.003 0.000 2.251 111 M HA -0.285 nan 4.480 nan 0.000 0.343 111 M C 0.008 176.311 176.300 0.005 0.000 1.245 111 M CA 0.891 56.193 55.300 0.004 0.000 1.061 111 M CB 0.337 32.939 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 5.279 123.981 118.700 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 -0.263 52.790 53.050 0.006 0.000 0.877 112 N CB 0.433 38.923 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 -3.767 115.839 119.600 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 30.987 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 0.510 120.914 120.400 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 3.002 57.005 54.000 0.005 0.000 0.846 115 D CB -0.149 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 -0.333 120.894 121.223 0.006 0.000 2.046 116 L HA -0.382 nan 4.340 nan 0.000 0.208 116 L C 1.735 178.608 176.870 0.006 0.000 1.077 116 L CA 3.239 58.082 54.840 0.006 0.000 0.747 116 L CB -0.128 41.935 42.059 0.007 0.000 0.896 116 L HN 0.387 8.439 8.230 0.007 0.182 0.432 117 K N -1.156 119.248 120.400 0.007 0.000 2.103 117 K HA -0.334 nan 4.320 nan 0.000 0.204 117 K C 2.203 178.807 176.600 0.005 0.000 1.052 117 K CA 3.197 59.489 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 -0.049 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 3.294 59.396 56.100 0.003 0.000 0.960 118 R CB -0.090 30.212 30.300 0.004 0.000 0.856 118 R HN -0.267 7.921 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 0.952 175.853 174.900 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 1.195 121.766 120.570 0.002 0.000 2.399 120 I HA -0.517 nan 4.170 nan 0.000 0.254 120 I C 0.798 176.914 176.117 -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 -0.035 8.177 8.210 0.003 0.000 0.432 121 D N -2.599 117.799 120.400 -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 0.252 120.649 120.400 -0.005 0.000 2.031 122 K HA -0.144 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 2.449 58.733 56.287 -0.005 0.000 0.939 122 K CB 0.027 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 -1.863 120.955 122.820 -0.004 0.000 2.131 123 A HA -0.185 nan 4.320 nan 0.000 0.220 123 A C 2.433 180.013 177.584 -0.006 0.000 1.158 123 A CA 2.919 54.954 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 2.014 178.097 176.094 -0.018 0.000 1.035 124 V CA 4.610 66.900 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 2.252 116.796 114.554 -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 66.481 62.100 -0.016 0.000 1.139 125 T CB -0.546 68.315 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 0.341 120.250 119.914 -0.008 0.000 2.302 126 V HA -0.276 nan 4.120 nan 0.000 0.243 126 V C 1.413 177.504 176.094 -0.004 0.000 1.036 126 V CA 3.894 66.192 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 -0.370 7.793 8.190 -0.008 0.023 0.453 127 A N -0.306 122.511 122.820 -0.005 0.000 1.903 127 A HA -0.425 nan 4.320 nan 0.000 0.219 127 A C 1.880 179.461 177.584 -0.005 0.000 1.191 127 A CA 3.486 55.521 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 -2.107 117.800 119.914 -0.010 0.000 2.332 128 V HA -0.536 nan 4.120 nan 0.000 0.248 128 V C 2.146 178.236 176.094 -0.005 0.000 1.055 128 V CA 4.881 67.174 62.300 -0.011 0.000 1.038 128 V CB -0.903 30.907 31.823 -0.021 0.000 0.651 128 V HN 0.367 8.548 8.190 -0.014 0.002 0.450 129 E N -1.734 118.463 120.200 -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 59.485 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 -0.412 7.859 8.360 -0.006 0.086 0.453 130 E N -1.218 118.984 120.200 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 2.662 59.065 56.400 0.006 0.000 0.802 130 E CB 0.070 29.774 29.700 0.007 0.000 0.759 130 E HN -0.259 8.001 8.360 0.001 0.100 0.447 131 L N -4.515 116.713 121.223 0.007 0.000 2.353 131 L HA -0.206 nan 4.340 nan 0.000 0.220 131 L C 2.089 178.965 176.870 0.010 0.000 1.133 131 L CA 2.964 57.810 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 -1.639 118.765 120.400 0.007 0.000 2.305 132 K HA -0.154 nan 4.320 nan 0.000 0.199 132 K C 1.091 177.696 176.600 0.009 0.000 1.047 132 K CA 1.371 57.663 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 -1.211 121.615 122.820 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 1.760 53.804 52.037 0.011 0.000 0.656 133 A CB 0.021 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 -2.697 118.536 121.223 0.016 0.000 2.376 134 L HA -0.079 nan 4.340 nan 0.000 0.219 134 L C 0.036 176.918 176.870 0.020 0.000 1.133 134 L CA 0.718 55.570 54.840 0.020 0.000 0.816 134 L CB 0.394 42.466 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 -2.230 113.480 115.700 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 0.146 58.356 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 6.988 126.912 119.914 0.017 0.000 2.347 136 V HA 0.389 nan 4.120 nan 0.000 0.280 136 V C -1.090 175.012 176.094 0.014 0.000 1.021 136 V CA -3.659 58.650 62.300 0.016 0.000 0.847 136 V CB 0.617 32.450 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 -1.539 175.767 177.300 0.011 0.000 1.258 137 P CA 0.075 63.181 63.100 0.011 0.000 0.802 137 P CB 0.735 32.441 31.700 0.010 0.000 1.040 138 C N -1.420 117.886 119.300 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 57.651 59.018 0.009 0.000 1.325 138 C CB -0.466 27.281 27.740 0.011 0.000 1.793 138 C HN 0.243 8.479 8.230 0.010 0.000 0.563 139 S N 6.198 121.902 115.700 0.007 0.000 2.583 139 S HA 0.073 nan 4.470 nan 0.000 0.203 139 S C -0.553 174.049 174.600 0.004 0.000 0.952 139 S CA 0.140 58.343 58.200 0.005 0.000 0.887 139 S CB 0.253 63.456 63.200 0.005 0.000 0.857 139 S HN -0.030 8.283 8.310 0.007 0.000 0.611 140 D N 1.937 122.339 120.400 0.004 0.000 2.515 140 D HA -0.110 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 54.788 54.000 0.003 0.000 0.875 140 D CB 0.506 41.308 40.800 0.003 0.000 1.213 140 D HN -0.176 8.196 8.370 0.004 0.000 0.478 141 S N 3.159 118.860 115.700 0.001 0.000 2.374 141 S HA -0.441 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 61.909 58.200 -0.001 0.000 1.024 141 S CB 0.094 63.294 63.200 -0.001 0.000 0.861 141 S HN 0.543 8.854 8.310 0.001 0.000 0.456 142 K N -0.089 120.311 120.400 0.000 0.000 2.097 142 K HA -0.248 nan 4.320 nan 0.000 0.206 142 K C 1.488 178.089 176.600 0.002 0.000 1.049 142 K CA 2.644 58.931 56.287 0.001 0.000 0.933 142 K CB -0.921 31.580 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 0.295 123.117 122.820 0.003 0.000 1.828 143 A HA -0.225 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 2.856 54.896 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 -0.474 7.821 8.150 0.003 -0.143 0.445 144 I N -1.509 119.062 120.570 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 -1.467 121.352 122.820 -0.001 0.000 1.854 145 A HA -0.339 nan 4.320 nan 0.000 0.214 145 A C 1.909 179.492 177.584 -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 -0.074 7.971 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 3.523 59.328 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 -1.985 117.931 119.914 0.004 0.000 2.453 147 V HA -0.301 nan 4.120 nan 0.000 0.247 147 V C 2.011 178.107 176.094 0.002 0.000 1.048 147 V CA 3.887 66.190 62.300 0.005 0.000 1.049 147 V CB -0.917 30.910 31.823 0.008 0.000 0.672 147 V HN -0.074 8.118 8.190 0.004 0.000 0.457 148 G N -1.271 107.528 108.800 -0.002 0.000 2.433 148 G HA2 -0.376 nan 3.960 nan 0.000 0.216 148 G HA3 -0.376 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 2.548 47.643 45.100 -0.008 0.000 0.779 148 G HN 0.233 8.335 8.290 -0.002 0.188 0.543 149 T N 1.814 116.364 114.554 -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 68.215 68.868 -0.004 0.000 0.863 149 T HN -0.193 8.044 8.240 -0.005 0.000 0.424 150 I N 1.353 121.922 120.570 -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 3.679 64.979 61.300 0.001 0.000 1.320 150 I CB -0.577 37.425 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 -0.451 115.251 115.700 0.002 0.000 2.442 151 S HA -0.270 nan 4.470 nan 0.000 0.236 151 S C 0.180 174.780 174.600 -0.000 0.000 1.007 151 S CA 2.427 60.629 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 -0.970 176.611 177.584 -0.005 0.000 1.275 152 A CA -0.439 51.594 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 7.573 8.150 -0.005 0.157 0.493 153 N N -3.151 115.547 118.700 -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 -1.114 37.372 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 -4.901 110.797 115.700 -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 0.863 59.061 58.200 -0.004 0.000 0.972 154 S CB -0.622 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 0.842 121.238 120.400 -0.006 0.000 2.500 155 D HA 0.205 nan 4.640 nan 0.000 0.219 155 D C 0.487 176.782 176.300 -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 7.645 8.370 -0.006 0.000 0.518 156 E N 3.902 124.099 120.200 -0.006 0.000 2.233 156 E HA -0.502 nan 4.350 nan 0.000 0.210 156 E C 1.757 178.353 176.600 -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 8.366 8.360 -0.005 0.000 0.465 157 T N 2.093 116.642 114.554 -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 3.321 65.415 62.100 -0.009 0.000 1.179 157 T CB -0.675 68.188 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 -0.294 8.038 8.190 -0.013 -0.149 0.447 159 G N -2.718 106.073 108.800 -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 0.748 175.641 174.900 -0.012 0.000 1.180 159 G CA 2.394 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 -0.365 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 2.663 58.944 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 -0.411 7.836 8.250 -0.010 -0.003 0.454 161 L N -0.820 120.394 121.223 -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 2.886 57.716 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 -0.942 119.615 120.570 -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 1.708 62.994 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 -0.126 8.070 8.210 -0.023 0.000 0.424 163 A N -1.149 121.664 122.820 -0.012 0.000 1.968 163 A HA -0.244 nan 4.320 nan 0.000 0.217 163 A C 1.961 179.541 177.584 -0.008 0.000 1.169 163 A CA 3.453 55.485 52.037 -0.008 0.000 0.638 163 A CB -0.735 18.261 19.000 -0.006 0.000 0.812 163 A HN 0.097 8.218 8.150 -0.012 0.021 0.446 164 E N -0.512 119.682 120.200 -0.009 0.000 2.051 164 E HA -0.289 nan 4.350 nan 0.000 0.189 164 E C 2.261 178.856 176.600 -0.009 0.000 0.979 164 E CA 2.606 59.001 56.400 -0.008 0.000 0.803 164 E CB -0.166 29.529 29.700 -0.009 0.000 0.761 164 E HN -0.718 7.532 8.360 -0.011 0.103 0.451 165 A N 0.106 122.919 122.820 -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 18.209 19.000 -0.018 0.000 0.834 165 A HN 0.544 8.686 8.150 -0.014 0.000 0.447 166 M N -2.821 116.775 119.600 -0.008 0.000 2.195 166 M HA -0.421 nan 4.480 nan 0.000 0.260 166 M C 1.569 177.867 176.300 -0.003 0.000 1.066 166 M CA 3.587 58.884 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 -1.492 118.906 120.400 -0.004 0.000 2.162 167 D HA -0.187 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 2.900 56.898 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 -0.388 120.010 120.400 -0.004 0.000 2.160 168 K HA -0.228 nan 4.320 nan 0.000 0.206 168 K C 0.819 177.417 176.600 -0.003 0.000 1.047 168 K CA 2.429 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 -3.206 116.706 119.914 -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 -1.305 60.995 62.300 -0.001 0.000 1.409 169 V CB 0.244 32.067 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 -0.778 174.124 174.900 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 0.389 120.791 120.400 0.004 0.000 2.147 171 K HA -0.257 nan 4.320 nan 0.000 0.205 171 K C 0.284 176.889 176.600 0.009 0.000 1.049 171 K CA 2.319 58.609 56.287 0.006 0.000 0.936 171 K CB 0.052 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 -2.445 117.760 120.200 0.009 0.000 2.663 172 E HA 0.152 nan 4.350 nan 0.000 0.240 172 E C -0.684 175.923 176.600 0.012 0.000 1.227 172 E CA -1.216 55.191 56.400 0.012 0.000 1.528 172 E CB -1.364 28.343 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 -1.501 107.305 108.800 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 -1.839 173.069 174.900 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 1.845 121.766 119.914 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 -1.513 60.794 62.300 0.011 0.000 1.131 174 V CB -0.817 31.014 31.823 0.012 0.000 1.298 174 V HN 0.424 8.621 8.190 0.012 0.000 0.498 175 I N 8.557 129.130 120.570 0.004 0.000 2.532 175 I HA 0.387 nan 4.170 nan 0.000 0.292 175 I C -0.421 175.691 176.117 -0.007 0.000 1.014 175 I CA -0.102 61.194 61.300 -0.006 0.000 1.340 175 I CB 0.819 38.812 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 6.071 120.617 114.554 -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 -1.032 61.059 62.100 -0.014 0.000 1.003 176 T CB 2.526 71.388 68.868 -0.010 0.000 1.084 176 T HN 0.215 8.446 8.240 -0.016 0.000 0.483 177 V N -0.414 119.484 119.914 -0.027 0.000 2.204 177 V HA 0.504 nan 4.120 nan 0.000 0.264 177 V C -0.932 175.150 176.094 -0.020 0.000 1.106 177 V CA -2.671 59.609 62.300 -0.034 0.000 0.947 177 V CB -1.394 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 5.101 125.291 120.200 -0.016 0.000 2.313 178 E HA 0.045 nan 4.350 nan 0.000 0.276 178 E C -1.001 175.593 176.600 -0.011 0.000 1.031 178 E CA -0.095 56.298 56.400 -0.011 0.000 0.857 178 E CB 1.671 31.366 29.700 -0.009 0.000 1.040 178 E HN 0.045 8.394 8.360 -0.018 0.000 0.408 179 D N 2.766 123.161 120.400 -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 1.728 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 -1.174 107.622 108.800 -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 -0.523 174.375 174.900 -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 -4.381 110.170 114.554 -0.004 0.000 3.105 181 T HA 0.233 nan 4.350 nan 0.000 0.257 181 T C 0.666 175.364 174.700 -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 1.527 110.325 108.800 -0.004 0.000 3.183 182 G HA2 0.444 nan 3.960 nan 0.000 0.247 182 G HA3 0.444 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 -0.269 44.829 45.100 -0.004 0.000 0.835 182 G HN -0.643 7.645 8.290 -0.005 0.000 0.604 183 L N -0.477 120.743 121.223 -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 1.621 56.459 54.840 -0.004 0.000 0.769 183 L CB -0.160 41.897 42.059 -0.004 0.000 0.914 183 L HN -0.012 8.215 8.230 -0.004 0.000 0.448 184 Q N -1.027 118.770 119.800 -0.005 0.000 2.075 184 Q HA -0.301 nan 4.340 nan 0.000 0.464 184 Q C -0.314 175.683 176.000 -0.006 0.000 0.954 184 Q CA 2.341 58.141 55.803 -0.005 0.000 0.898 184 Q CB 0.127 28.862 28.738 -0.005 0.000 0.985 184 Q HN 0.019 8.287 8.270 -0.004 0.000 0.567 185 D N -4.381 116.015 120.400 -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 1.159 41.953 40.800 -0.009 0.000 4.942 185 D HN -0.117 8.250 8.370 -0.006 0.000 0.685 186 E N 2.752 122.947 120.200 -0.009 0.000 2.235 186 E HA 0.479 nan 4.350 nan 0.000 0.265 186 E C -1.745 174.849 176.600 -0.010 0.000 0.940 186 E CA -2.317 54.078 56.400 -0.008 0.000 0.819 186 E CB 2.835 32.531 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 0.913 122.130 121.223 -0.009 0.000 2.526 187 L HA 0.494 nan 4.340 nan 0.000 0.263 187 L C -2.173 174.693 176.870 -0.008 0.000 0.943 187 L CA -0.521 54.314 54.840 -0.010 0.000 0.859 187 L CB 3.023 45.076 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 4.108 124.504 120.400 -0.008 0.000 2.878 188 D HA 0.033 nan 4.640 nan 0.000 0.211 188 D C -2.137 174.159 176.300 -0.006 0.000 1.271 188 D CA -0.667 53.329 54.000 -0.007 0.000 0.845 188 D CB 2.586 43.383 40.800 -0.006 0.000 1.679 188 D HN 0.427 8.791 8.370 -0.009 0.000 0.536 189 V N 2.291 122.202 119.914 -0.006 0.000 2.405 189 V HA 0.170 nan 4.120 nan 0.000 0.264 189 V C -0.637 175.454 176.094 -0.005 0.000 1.048 189 V CA 0.036 62.333 62.300 -0.005 0.000 0.966 189 V CB -0.645 31.175 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 7.670 127.582 119.914 -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 -2.618 59.679 62.300 -0.004 0.000 0.956 190 V CB 4.706 36.526 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 5.286 125.484 120.200 -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 1.271 57.669 56.400 -0.003 0.000 0.943 191 E CB 0.340 30.036 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 -0.477 119.154 119.600 0.053 0.000 2.818 193 M HA 0.152 nan 4.480 nan 0.000 0.207 193 M C -2.103 174.272 176.300 0.125 0.000 1.874 193 M CA 0.332 55.690 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 0.151 8.467 8.290 0.043 0.000 0.592 194 Q N -2.979 116.896 119.800 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 1.042 56.877 55.803 0.054 0.000 0.292 194 Q CB -0.702 28.044 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 1.320 121.264 119.950 -0.010 0.000 2.741 195 F HA 0.401 nan 4.527 nan 0.000 0.313 195 F C -1.635 174.162 175.800 -0.005 0.000 1.153 195 F CA -1.796 56.200 58.000 -0.007 0.000 0.931 195 F CB 2.390 41.388 39.000 -0.004 0.000 1.335 195 F HN 0.274 8.320 8.300 -0.423 0.000 0.460 196 D N 0.575 121.127 120.400 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 1.269 55.353 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 31.932 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 1.665 110.504 108.800 0.065 0.000 2.569 198 G HA2 -0.164 nan 3.960 nan 0.000 0.249 198 G HA3 -0.164 nan 3.960 nan 0.000 0.249 198 G C -0.672 174.374 174.900 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 -1.588 118.768 120.300 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 -2.248 55.985 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 -0.006 0.114 0.589 200 L N 1.083 122.682 121.223 0.627 0.000 2.191 200 L HA -0.124 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 1.334 56.346 54.840 0.287 0.000 0.769 200 L CB -0.544 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 -5.373 110.103 115.700 -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 54.596 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 0.879 178.028 177.300 -0.252 0.000 1.157 202 P CA 2.053 64.766 63.100 -0.644 0.000 0.863 202 P CB -0.025 31.488 31.700 -0.311 0.000 0.787 203 Y N -4.954 115.166 120.300 -0.299 0.000 2.446 203 Y HA -0.213 nan 4.550 nan 0.000 0.287 203 Y C 1.209 177.091 175.900 -0.030 0.000 1.159 203 Y CA 0.483 58.493 58.100 -0.150 0.000 1.297 203 Y CB -1.356 37.002 38.460 -0.170 0.000 0.974 203 Y HN 0.093 8.230 8.280 -0.238 0.000 0.557 204 F N -1.710 118.224 119.950 -0.026 0.000 2.373 204 F HA -0.236 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 3.085 205 I HA -0.374 nan 4.170 nan 0.000 0.302 205 I C -0.582 175.645 176.117 0.184 0.000 1.234 205 I CA 0.371 61.852 61.300 0.300 0.000 1.396 205 I CB -1.203 36.942 38.000 0.241 0.000 1.385 205 I HN -0.420 7.797 8.210 0.284 0.163 0.533 206 N N 8.968 127.755 118.700 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 8.565 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 4.785 4.320 0.001 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 5.502 4.420 0.001 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 5.381 4.350 0.001 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 4.689 4.350 0.001 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 3.980 3.960 0.001 0.000 0.000 211 G HA3 0.020 3.980 3.960 0.001 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 -0.787 122.036 122.820 0.004 0.000 2.427 212 A HA 0.511 nan 4.320 nan 0.000 0.298 212 A C -0.255 177.336 177.584 0.011 0.000 1.036 212 A CA -0.488 51.520 52.037 -0.047 0.000 0.701 212 A CB 2.523 21.488 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 -1.590 118.329 119.914 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 -1.434 60.888 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 0.221 120.413 120.200 -0.014 0.000 2.637 214 E HA -0.366 nan 4.350 nan 0.000 0.231 214 E C -0.461 176.132 176.600 -0.012 0.000 1.226 214 E CA 0.877 57.266 56.400 -0.019 0.000 0.950 214 E CB -1.540 28.153 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 4.381 125.593 121.223 -0.019 0.000 2.375 215 L HA 0.162 nan 4.340 nan 0.000 0.271 215 L C -0.098 176.770 176.870 -0.003 0.000 1.107 215 L CA -0.741 54.093 54.840 -0.011 0.000 0.806 215 L CB 1.356 43.404 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 1.739 121.942 120.200 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 -0.941 55.465 56.400 0.010 0.000 0.856 216 E CB 1.577 31.282 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 1.448 117.168 115.700 0.034 0.000 4.285 217 S HA -0.319 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 -1.463 61.742 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 -1.764 174.037 175.800 0.001 0.000 1.167 219 F CA -1.433 56.566 58.000 -0.001 0.000 0.970 219 F CB 2.679 41.680 39.000 0.001 0.000 1.234 219 F HN -0.104 8.369 8.300 0.287 0.000 0.453 220 I N 3.472 124.100 120.570 0.097 0.000 2.337 220 I HA 0.207 nan 4.170 nan 0.000 0.291 220 I C -1.245 174.914 176.117 0.070 0.000 1.046 220 I CA -1.973 59.370 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 -0.067 8.043 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 -2.584 174.321 176.870 0.059 0.000 1.051 221 L CA -1.324 53.560 54.840 0.073 0.000 0.804 221 L CB 2.526 44.634 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 -1.779 175.112 176.870 0.036 0.000 1.005 222 L CA -1.021 53.842 54.840 0.039 0.000 0.818 222 L CB 2.276 44.350 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 2.012 124.855 122.820 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 -1.431 50.627 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 8.489 8.150 0.043 0.000 0.439 224 D N 2.934 123.350 120.400 0.026 0.000 0.000 224 D HA 0.257 nan 4.640 nan 0.000 0.000 224 D C 0.391 176.708 176.300 0.029 0.000 0.000 224 D CA 0.311 54.326 54.000 0.025 0.000 0.000 224 D CB 1.764 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 5.018 4.320 0.001 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 0.075 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 5.443 4.320 0.001 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 5.157 4.170 0.001 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 5.734 4.470 0.001 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 5.834 4.740 0.001 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 5.323 4.170 0.001 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 5.592 4.340 0.001 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 5.380 4.350 0.001 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 5.608 4.480 0.001 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 5.540 4.340 0.001 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 5.666 4.420 0.001 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 5.266 4.120 0.001 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 5.711 4.340 0.001 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 5.532 4.350 0.001 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 5.540 4.320 0.001 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 5.188 4.120 0.001 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 5.644 4.320 0.001 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 5.436 4.320 0.001 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 5.289 4.320 0.001 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 4.891 3.960 0.001 0.000 0.000 244 G HA3 0.931 4.891 3.960 0.001 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 5.445 4.320 0.001 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 5.389 4.420 0.001 0.000 0.000 246 P C -2.376 nan 177.300 nan 0.000 0.000 246 P CA 0.163 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 -0.861 120.355 121.223 -0.012 0.000 0.000 247 L HA 0.436 4.777 4.340 0.001 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 44.213 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 2.598 123.841 121.223 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 3.098 45.179 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 5.516 126.100 120.570 0.023 0.000 2.433 249 I HA 0.607 nan 4.170 nan 0.000 0.292 249 I C -1.631 174.527 176.117 0.068 0.000 1.001 249 I CA -0.682 60.651 61.300 0.055 0.000 1.119 249 I CB 2.475 40.516 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 7.865 128.485 120.570 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 -1.281 60.085 61.300 0.110 0.000 1.086 250 I CB 1.092 39.173 38.000 0.136 0.000 1.202 250 I HN 0.219 8.474 8.210 0.075 0.000 0.471 251 A N 5.936 128.809 122.820 0.088 0.000 2.552 251 A HA 0.740 nan 4.320 nan 0.000 0.288 251 A C -1.948 175.679 177.584 0.072 0.000 1.193 251 A CA -1.761 50.318 52.037 0.069 0.000 0.713 251 A CB 3.346 22.385 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 -0.072 120.164 120.200 0.060 0.000 2.418 252 E HA -0.256 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 0.078 56.515 56.400 0.060 0.000 0.931 252 E CB 0.914 30.645 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 2.168 122.605 120.400 0.062 0.000 6.521 253 D HA -0.320 nan 4.640 nan 0.000 0.249 253 D C -0.677 175.656 176.300 0.054 0.000 1.546 253 D CA 0.840 54.875 54.000 0.058 0.000 1.189 253 D CB -0.761 40.063 40.800 0.041 0.000 1.515 253 D HN 0.143 8.550 8.370 0.061 0.000 0.872 254 V N 3.148 123.104 119.914 0.070 0.000 0.000 254 V HA -0.135 nan 4.120 nan 0.000 0.000 254 V C 0.932 177.057 176.094 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 32.327 31.823 0.095 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 5.011 4.350 0.001 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 4.946 3.960 0.001 0.000 0.000 256 G HA3 0.985 4.946 3.960 0.001 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 5.369 4.350 0.001 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 5.548 4.320 0.001 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 5.461 4.340 0.001 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 5.632 4.320 0.001 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 5.392 4.350 0.001 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 5.580 4.320 0.001 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 5.185 4.120 0.001 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 5.348 4.120 0.001 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 -0.037 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 5.924 4.740 0.001 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 5.388 4.350 0.001 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 5.690 4.480 0.001 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 5.356 4.340 0.001 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 4.928 3.960 0.001 0.000 0.000 269 G HA3 0.967 4.928 3.960 0.001 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 5.258 4.170 0.001 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 5.400 4.120 0.001 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 5.585 4.320 0.001 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 5.098 4.120 0.001 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 5.639 4.320 0.001 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 -0.564 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 5.071 4.320 0.001 0.000 0.000 275 A C -1.675 nan 177.584 nan 0.000 0.000 275 A CA -0.218 51.721 52.037 -0.162 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 -4.962 115.005 119.914 0.089 0.000 0.000 276 V HA 0.315 4.435 4.120 0.001 0.000 0.000 276 V C -2.003 174.192 176.094 0.169 0.000 0.000 276 V CA 0.086 62.477 62.300 0.150 0.000 0.000 276 V CB 1.817 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 0.470 nan 4.320 nan 0.000 0.239 277 K C -0.959 175.747 176.600 0.178 0.000 0.987 277 K CA -1.378 55.008 56.287 0.165 0.000 0.857 277 K CB 3.118 35.704 32.500 0.144 0.000 1.154 277 K HN 0.196 8.573 8.250 0.213 0.000 0.439 278 A N 2.182 125.062 122.820 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 0.288 8.378 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 -0.062 0.000 1.261 279 P CA 0.053 63.077 63.100 -0.127 0.000 0.821 279 P CB 1.107 32.581 31.700 -0.376 0.000 1.013 280 G N 2.472 111.282 108.800 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 -2.186 172.796 174.900 0.135 0.000 1.289 280 G CA 0.251 45.361 45.100 0.017 0.000 0.920 280 G HN 0.154 8.476 8.290 0.053 0.000 0.571 281 F N -4.381 115.566 119.950 -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 -2.254 55.747 58.000 0.002 0.000 0.918 281 F CB 1.404 40.411 39.000 0.012 0.000 1.364 281 F HN -0.307 7.712 8.300 -0.469 0.000 0.475 282 G N -0.409 108.589 108.800 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 1.041 46.251 45.100 0.183 0.000 0.966 282 G HN 0.190 8.725 8.290 0.408 0.000 0.560 283 D N 2.140 122.536 120.400 -0.006 0.000 2.265 283 D HA -0.222 nan 4.640 nan 0.000 0.208 283 D C 2.027 178.290 176.300 -0.063 0.000 0.977 283 D CA 3.141 57.126 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 -0.406 120.021 120.500 -0.121 0.000 2.092 284 R HA -0.324 nan 4.340 nan 0.000 0.226 284 R C 1.550 177.782 176.300 -0.113 0.000 1.140 284 R CA 4.195 60.204 56.100 -0.153 0.000 0.910 284 R CB 0.134 30.273 30.300 -0.269 0.000 0.822 284 R HN -0.314 7.812 8.270 -0.155 0.052 0.433 285 R N -1.835 118.611 120.500 -0.089 0.000 2.154 285 R HA -0.339 nan 4.340 nan 0.000 0.248 285 R C 2.400 178.669 176.300 -0.053 0.000 1.155 285 R CA 2.837 58.901 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 0.309 8.480 8.270 -0.094 0.043 0.452 286 K N -0.774 119.606 120.400 -0.033 0.000 1.985 286 K HA -0.304 nan 4.320 nan 0.000 0.210 286 K C 2.332 178.908 176.600 -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 -0.737 7.472 8.250 -0.027 0.025 0.439 287 A N -0.940 121.851 122.820 -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 18.228 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 -3.146 116.397 119.600 -0.096 0.000 2.260 288 M HA -0.397 nan 4.480 nan 0.000 0.261 288 M C 2.069 178.298 176.300 -0.120 0.000 1.066 288 M CA 3.859 59.081 55.300 -0.130 0.000 1.082 288 M CB -0.325 32.157 32.600 -0.197 0.000 1.388 288 M HN -0.247 7.983 8.290 -0.100 0.000 0.419 289 L N -2.655 118.515 121.223 -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 2.700 57.504 54.840 -0.060 0.000 0.760 289 L CB -0.534 41.504 42.059 -0.035 0.000 0.910 289 L HN -0.541 7.498 8.230 -0.080 0.143 0.437 290 Q N -0.841 118.936 119.800 -0.037 0.000 2.378 290 Q HA -0.243 nan 4.340 nan 0.000 0.205 290 Q C 2.209 178.191 176.000 -0.031 0.000 0.954 290 Q CA 2.777 58.564 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 1.797 122.172 120.400 -0.042 0.000 2.113 291 D HA -0.163 nan 4.640 nan 0.000 0.206 291 D C 2.215 178.496 176.300 -0.031 0.000 0.979 291 D CA 3.304 57.280 54.000 -0.040 0.000 0.862 291 D CB -0.206 40.561 40.800 -0.055 0.000 1.013 291 D HN 0.031 8.215 8.370 -0.053 0.154 0.455 292 I N 0.207 120.755 120.570 -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 0.144 8.212 8.210 -0.062 0.104 0.422 293 A N -1.346 121.466 122.820 -0.014 0.000 1.841 293 A HA -0.385 nan 4.320 nan 0.000 0.216 293 A C 1.497 179.069 177.584 -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 17.968 19.000 -0.015 0.000 0.835 293 A HN -0.029 7.931 8.150 -0.021 0.178 0.445 294 T N -2.100 112.441 114.554 -0.021 0.000 2.822 294 T HA -0.357 nan 4.350 nan 0.000 0.270 294 T C 1.507 176.194 174.700 -0.022 0.000 1.064 294 T CA 2.947 65.034 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 0.405 121.618 121.223 -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 2.204 57.037 54.840 -0.012 0.000 0.746 295 L CB -0.283 41.778 42.059 0.003 0.000 0.891 295 L HN -0.024 8.065 8.230 -0.015 0.131 0.433 296 T N -2.780 111.761 114.554 -0.022 0.000 3.160 296 T HA -0.048 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 2.160 64.234 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 0.317 8.443 8.240 -0.013 0.106 0.526 297 G N -1.456 107.308 108.800 -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 0.781 109.552 108.800 -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 -3.927 110.616 114.554 -0.019 0.000 12.380 299 T HA -0.403 nan 4.350 nan 0.000 0.415 299 T C 0.622 175.321 174.700 -0.002 0.000 1.471 299 T CA 1.706 63.799 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 0.248 8.477 8.240 -0.020 0.000 0.798 300 V N 3.867 123.781 119.914 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 0.009 0.000 1.073 300 V CA 1.615 63.922 62.300 0.011 0.000 1.098 300 V CB 0.605 32.441 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 -4.037 116.541 120.570 0.013 0.000 3.331 301 I HA -0.032 nan 4.170 nan 0.000 0.380 301 I C -0.052 176.075 176.117 0.016 0.000 0.924 301 I CA -0.266 61.040 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 0.975 116.687 115.700 0.020 0.000 0.000 302 S HA -0.329 nan 4.470 nan 0.000 0.000 302 S C 0.834 175.446 174.600 0.021 0.000 0.000 302 S CA 1.580 59.794 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 -0.032 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 5.041 4.350 0.001 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 0.706 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 5.427 4.350 0.001 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 5.098 4.170 0.001 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 5.021 3.960 0.001 0.000 0.000 306 G HA3 1.061 5.021 3.960 0.001 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 5.639 4.480 0.001 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 5.525 4.350 0.001 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 5.480 4.340 0.001 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 5.512 4.350 0.001 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 5.426 4.320 0.001 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 5.483 4.320 0.001 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 5.346 4.350 0.001 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 5.320 4.340 0.001 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 -1.647 118.586 120.200 0.054 0.000 0.000 315 E HA 0.025 4.375 4.350 0.001 0.000 0.000 315 E C -0.422 176.246 176.600 0.113 0.000 0.000 315 E CA 1.201 57.652 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 0.192 176.527 176.300 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 0.175 8.588 8.370 0.070 0.000 0.258 317 L N -2.844 118.401 121.223 0.037 0.000 5.621 317 L HA -0.449 nan 4.340 nan 0.000 0.281 317 L C -0.883 175.910 176.870 -0.127 0.000 1.106 317 L CA 0.625 55.467 54.840 0.003 0.000 1.259 317 L CB -0.389 41.753 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 -4.984 103.709 108.800 -0.178 0.000 2.600 318 G HA2 0.480 nan 3.960 nan 0.000 0.303 318 G HA3 0.480 nan 3.960 nan 0.000 0.303 318 G C -1.007 173.635 174.900 -0.429 0.000 1.253 318 G CA -0.555 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 0.422 120.000 119.800 -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 -0.428 55.146 55.803 -0.383 0.000 0.846 319 Q CB 1.579 30.106 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 -1.776 121.000 122.820 -0.074 0.000 2.435 320 A HA -0.265 nan 4.320 nan 0.000 0.686 320 A C -0.944 176.642 177.584 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 -0.526 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 0.022 8.400 8.250 -0.005 -0.131 0.438 322 R N -6.928 113.574 120.500 0.003 0.000 2.710 322 R HA 0.527 nan 4.340 nan 0.000 0.270 322 R C -2.029 174.262 176.300 -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 -0.353 119.546 119.914 -0.026 0.000 2.962 323 V HA 0.480 nan 4.120 nan 0.000 0.313 323 V C -1.278 174.781 176.094 -0.059 0.000 1.099 323 V CA -1.128 61.142 62.300 -0.050 0.000 0.971 323 V CB 3.716 35.507 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 1.411 121.274 119.914 -0.086 0.000 3.070 324 V HA 0.216 nan 4.120 nan 0.000 0.355 324 V C -0.290 175.729 176.094 -0.124 0.000 1.400 324 V CA -0.851 61.399 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 8.338 8.190 -0.109 0.000 0.554 325 I N 1.049 121.527 120.570 -0.152 0.000 3.331 325 I HA -0.296 nan 4.170 nan 0.000 0.305 325 I C -0.765 175.179 176.117 -0.288 0.000 1.229 325 I CA 1.518 62.695 61.300 -0.205 0.000 1.406 325 I CB -0.003 37.904 38.000 -0.155 0.000 1.310 325 I HN -0.292 7.836 8.210 -0.136 0.000 0.579 326 N N 1.411 119.837 118.700 -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 -0.763 0.000 1.375 326 N CA -0.553 52.010 53.050 -0.813 0.000 0.838 326 N CB 1.703 39.923 38.487 -0.444 0.000 1.447 326 N HN -0.182 7.975 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 -0.721 175.803 176.600 -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 -0.943 0.000 0.475 328 D N -2.345 118.024 120.400 -0.052 0.000 2.074 328 D HA -0.241 nan 4.640 nan 0.000 0.214 328 D C -0.937 175.332 176.300 -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 9.113 8.370 -0.005 -0.058 0.630 329 T N -3.804 110.678 114.554 -0.120 0.000 2.742 329 T HA 0.429 nan 4.350 nan 0.000 0.282 329 T C -2.122 172.417 174.700 -0.269 0.000 1.025 329 T CA -1.518 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 -0.676 7.485 8.240 -0.162 -0.018 0.538 330 T N 2.189 116.519 114.554 -0.372 0.000 4.445 330 T HA 0.152 nan 4.350 nan 0.000 0.365 330 T C -2.486 171.930 174.700 -0.472 0.000 0.885 330 T CA 0.417 62.231 62.100 -0.477 0.000 0.987 330 T CB 1.437 69.885 68.868 -0.700 0.000 1.150 330 T HN 0.051 8.090 8.240 -0.334 0.000 0.464 331 T N 5.170 119.567 114.554 -0.261 0.000 2.832 331 T HA 0.446 nan 4.350 nan 0.000 0.313 331 T C -0.104 174.537 174.700 -0.099 0.000 1.035 331 T CA -2.458 59.548 62.100 -0.158 0.000 0.950 331 T CB -0.003 68.810 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 0.275 176.389 176.117 -0.005 0.000 1.117 332 I CA 0.394 61.688 61.300 -0.011 0.000 1.317 332 I CB -0.376 37.651 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 8.078 128.640 120.570 -0.013 0.000 2.439 333 I HA -0.251 nan 4.170 nan 0.000 0.251 333 I C -0.525 175.589 176.117 -0.005 0.000 1.139 333 I CA 2.535 63.829 61.300 -0.010 0.000 1.438 333 I CB 0.424 38.416 38.000 -0.014 0.000 1.085 333 I HN -0.005 8.193 8.210 -0.020 0.000 0.427 334 D N -1.160 119.237 120.400 -0.005 0.000 2.365 334 D HA 0.095 nan 4.640 nan 0.000 0.235 334 D C -0.207 176.087 176.300 -0.011 0.000 1.368 334 D CA -0.826 53.170 54.000 -0.007 0.000 1.001 334 D CB 2.150 42.946 40.800 -0.007 0.000 1.364 334 D HN -0.621 7.746 8.370 -0.005 0.000 0.577 335 G N 2.958 111.752 108.800 -0.010 0.000 2.684 335 G HA2 0.231 nan 3.960 nan 0.000 0.255 335 G HA3 0.231 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 -0.106 44.983 45.100 -0.017 0.000 0.901 335 G HN 0.207 8.356 8.290 -0.006 0.137 0.548 336 V N -5.525 114.366 119.914 -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 -0.496 61.777 62.300 -0.045 0.000 1.056 336 V CB 0.792 32.573 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 1.410 110.188 108.800 -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 -0.088 44.993 45.100 -0.033 0.000 0.887 337 G HN -0.474 7.795 8.290 -0.034 0.000 0.524 338 E N 4.473 124.659 120.200 -0.023 0.000 2.734 338 E HA -0.338 nan 4.350 nan 0.000 0.235 338 E C 0.790 177.380 176.600 -0.015 0.000 1.107 338 E CA 0.467 56.856 56.400 -0.018 0.000 0.951 338 E CB -0.516 29.174 29.700 -0.016 0.000 0.955 338 E HN 0.047 8.391 8.360 -0.026 0.000 0.515 339 E N 7.512 127.703 120.200 -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 -2.148 120.666 122.820 -0.010 0.000 1.927 340 A HA -0.265 nan 4.320 nan 0.000 0.220 340 A C 2.082 179.659 177.584 -0.011 0.000 1.185 340 A CA 2.812 54.844 52.037 -0.010 0.000 0.639 340 A CB -1.054 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 -1.142 121.671 122.820 -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 2.886 54.915 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 0.178 8.225 8.150 -0.012 0.096 0.444 342 I N -2.504 118.058 120.570 -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 -0.511 7.632 8.210 -0.015 0.059 0.440 343 Q N -0.778 119.015 119.800 -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 59.188 55.803 -0.010 0.000 0.833 343 Q CB -0.251 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 -1.972 106.822 108.800 -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 1.565 176.458 174.900 -0.012 0.000 1.114 344 G CA 1.617 46.710 45.100 -0.011 0.000 0.757 344 G HN 0.372 8.656 8.290 -0.011 0.000 0.559 345 R N 1.065 121.557 120.500 -0.014 0.000 2.055 345 R HA -0.172 nan 4.340 nan 0.000 0.228 345 R C 2.202 178.492 176.300 -0.017 0.000 1.143 345 R CA 1.583 57.673 56.100 -0.016 0.000 0.945 345 R CB -1.326 28.963 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 -0.026 119.878 119.914 -0.016 0.000 2.231 346 V HA -0.380 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 -2.522 120.290 122.820 -0.013 0.000 1.917 347 A HA -0.489 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 3.473 55.503 52.037 -0.011 0.000 0.633 347 A CB -0.908 18.087 19.000 -0.009 0.000 0.819 347 A HN -0.018 8.125 8.150 -0.012 0.000 0.448 348 Q N -0.556 119.236 119.800 -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 3.051 58.846 55.803 -0.012 0.000 0.846 348 Q CB -0.379 28.351 28.738 -0.013 0.000 0.902 348 Q HN -0.574 7.598 8.270 -0.013 0.090 0.421 349 I N 0.065 120.625 120.570 -0.017 0.000 2.252 349 I HA -0.520 nan 4.170 nan 0.000 0.245 349 I C 1.889 177.996 176.117 -0.017 0.000 1.102 349 I CA 3.750 65.039 61.300 -0.020 0.000 1.385 349 I CB -0.399 37.586 38.000 -0.025 0.000 1.064 349 I HN -0.266 7.851 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 0.199 8.278 8.270 -0.016 0.182 0.433 351 Q N -1.554 118.241 119.800 -0.009 0.000 2.030 351 Q HA -0.346 nan 4.340 nan 0.000 0.204 351 Q C 2.927 178.922 176.000 -0.007 0.000 0.986 351 Q CA 2.990 58.789 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 0.243 8.401 8.270 -0.010 0.105 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 -1.153 119.413 120.570 -0.008 0.000 2.194 353 I HA -0.531 nan 4.170 nan 0.000 0.246 353 I C 2.327 178.443 176.117 -0.001 0.000 1.093 353 I CA 3.460 64.756 61.300 -0.005 0.000 1.355 353 I CB -0.587 37.408 38.000 -0.009 0.000 1.046 353 I HN 0.271 8.466 8.210 -0.011 0.008 0.413 354 E N 1.068 121.266 120.200 -0.002 0.000 2.130 354 E HA -0.277 nan 4.350 nan 0.000 0.196 354 E C 0.903 177.504 176.600 0.001 0.000 0.998 354 E CA 2.904 59.303 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 -4.001 116.199 120.200 0.000 0.000 2.444 355 E HA 0.065 nan 4.350 nan 0.000 0.191 355 E C -0.170 176.432 176.600 0.004 0.000 1.041 355 E CA -1.232 55.169 56.400 0.002 0.000 0.883 355 E CB -0.383 29.317 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 -0.445 177.150 177.584 0.017 0.000 1.454 356 A CA -0.434 51.610 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 -0.028 7.878 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 -0.495 nan 4.350 nan 0.000 0.417 357 T C 0.427 175.136 174.700 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 67.738 68.868 0.011 0.000 2.817 357 T HN 0.054 8.182 8.240 0.009 0.117 0.709 358 S N 1.464 117.177 115.700 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 1.579 64.788 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 2.521 122.945 120.400 0.040 0.000 7.686 359 D HA -0.275 nan 4.640 nan 0.000 0.091 359 D C 0.468 176.857 176.300 0.148 0.000 1.019 359 D CA 1.389 55.420 54.000 0.051 0.000 0.815 359 D CB -0.331 40.463 40.800 -0.011 0.000 1.611 359 D HN 0.155 8.541 8.370 0.025 0.000 0.915 360 Y N 3.605 123.900 120.300 -0.009 0.000 3.298 360 Y HA -0.653 nan 4.550 nan 0.000 0.479 360 Y C -0.361 175.528 175.900 -0.019 0.000 0.905 360 Y CA 1.996 60.089 58.100 -0.012 0.000 2.986 360 Y CB -1.172 37.281 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 0.423 0.000 2.411 361 D HA -0.350 nan 4.640 nan 0.000 0.226 361 D C 1.882 178.182 176.300 0.000 0.000 0.988 361 D CA 2.429 56.531 54.000 0.169 0.000 0.938 361 D CB -1.113 39.788 40.800 0.170 0.000 0.883 361 D HN 0.465 8.994 8.370 0.381 0.070 0.525 362 R N -0.349 120.152 120.500 0.001 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 57.776 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 -0.397 119.727 120.200 -0.127 0.000 2.012 363 E HA -0.328 nan 4.350 nan 0.000 0.197 363 E C 2.123 178.608 176.600 -0.192 0.000 1.007 363 E CA 3.086 59.379 56.400 -0.178 0.000 0.816 363 E CB -0.679 28.853 29.700 -0.281 0.000 0.762 363 E HN 0.266 8.417 8.360 -0.112 0.141 0.451 364 K N -1.953 118.286 120.400 -0.268 0.000 2.147 364 K HA -0.239 nan 4.320 nan 0.000 0.205 364 K C 2.414 178.939 176.600 -0.125 0.000 1.049 364 K CA 2.774 58.939 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 7.437 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 0.220 177.058 176.870 -0.055 0.000 1.149 365 L CA 1.193 55.994 54.840 -0.065 0.000 0.872 365 L CB -0.572 41.460 42.059 -0.044 0.000 0.992 365 L HN -0.529 7.515 8.230 -0.114 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 1.416 57.190 55.803 -0.048 0.000 0.938 366 Q CB 1.321 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 1.217 121.376 120.200 -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 0.361 8.480 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 1.681 177.955 176.300 -0.045 0.000 0.943 368 R CA 1.648 57.712 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 -0.014 8.106 8.270 -0.074 0.105 0.484 369 V N -6.350 113.541 119.914 -0.038 0.000 2.992 369 V HA 0.251 nan 4.120 nan 0.000 0.250 369 V C 0.874 176.956 176.094 -0.020 0.000 1.090 369 V CA 1.347 63.630 62.300 -0.028 0.000 1.101 369 V CB -0.383 31.424 31.823 -0.026 0.000 0.743 369 V HN -0.756 7.362 8.190 -0.041 0.047 0.468 370 A N 0.376 123.184 122.820 -0.020 0.000 2.019 370 A HA -0.251 nan 4.320 nan 0.000 0.219 370 A C 0.889 178.471 177.584 -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 -4.031 116.367 120.400 -0.004 0.000 2.098 371 K HA -0.128 nan 4.320 nan 0.000 0.203 371 K C 2.186 178.792 176.600 0.009 0.000 1.051 371 K CA 2.343 58.637 56.287 0.011 0.000 0.957 371 K CB -0.073 32.436 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 -0.615 120.607 121.223 -0.003 0.000 2.007 372 L HA -0.137 nan 4.340 nan 0.000 0.205 372 L C 1.422 178.290 176.870 -0.004 0.000 1.073 372 L CA 2.230 57.068 54.840 -0.004 0.000 0.744 372 L CB 0.450 42.501 42.059 -0.012 0.000 0.898 372 L HN -0.593 7.631 8.230 -0.010 0.000 0.435 373 A N -2.549 120.266 122.820 -0.007 0.000 3.091 373 A HA -0.018 nan 4.320 nan 0.000 0.264 373 A C -0.731 176.851 177.584 -0.004 0.000 1.673 373 A CA 0.356 52.389 52.037 -0.007 0.000 1.362 373 A CB -1.932 17.063 19.000 -0.009 0.000 1.137 373 A HN 0.167 8.217 8.150 -0.010 0.094 0.617 374 G N -0.811 107.988 108.800 -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 0.001 0.000 0.942 374 G HN -0.451 7.781 8.290 -0.001 0.058 0.606 375 G N 1.522 110.325 108.800 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 -1.469 173.434 174.900 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 -1.493 118.423 119.914 0.004 0.000 3.134 376 V HA 0.404 nan 4.120 nan 0.000 0.313 376 V C -0.593 175.500 176.094 -0.001 0.000 1.069 376 V CA -1.047 61.254 62.300 0.002 0.000 1.048 376 V CB 1.401 33.224 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 2.377 125.195 122.820 -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 51.025 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 5.302 125.210 119.914 -0.009 0.000 2.488 378 V HA 0.293 nan 4.120 nan 0.000 0.277 378 V C -1.055 175.031 176.094 -0.013 0.000 1.046 378 V CA 0.247 62.541 62.300 -0.011 0.000 0.986 378 V CB 0.710 32.528 31.823 -0.009 0.000 0.989 378 V HN 0.332 8.518 8.190 -0.008 0.000 0.475 379 I N 9.147 129.707 120.570 -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 -0.781 60.507 61.300 -0.019 0.000 1.227 379 I CB 1.622 39.606 38.000 -0.027 0.000 1.366 379 I HN 0.588 8.680 8.210 -0.019 0.106 0.466 380 K N 7.508 127.899 120.400 -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 -0.860 31.634 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 0.952 120.856 119.914 -0.015 0.000 3.209 381 V HA 0.004 nan 4.120 nan 0.000 0.305 381 V C -0.701 175.386 176.094 -0.011 0.000 1.127 381 V CA -0.151 62.140 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 -1.279 107.515 108.800 -0.011 0.000 2.690 382 G HA2 0.388 nan 3.960 nan 0.000 0.293 382 G HA3 0.388 nan 3.960 nan 0.000 0.293 382 G C -2.672 172.224 174.900 -0.008 0.000 1.399 382 G CA -0.656 44.439 45.100 -0.008 0.000 0.890 382 G HN -0.434 7.936 8.290 -0.012 -0.087 0.485 383 A N -0.778 122.038 122.820 -0.006 0.000 4.989 383 A HA 0.212 nan 4.320 nan 0.000 0.238 383 A C -2.018 175.564 177.584 -0.005 0.000 0.962 383 A CA 0.502 52.536 52.037 -0.005 0.000 0.608 383 A CB 0.387 19.384 19.000 -0.005 0.000 1.893 383 A HN -0.444 7.703 8.150 -0.006 0.000 0.923 384 A N -1.588 121.230 122.820 -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 0.207 114.759 114.554 -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 1.160 70.027 68.868 -0.002 0.000 0.975 385 T HN -0.370 7.868 8.240 -0.003 0.000 0.509 386 E N 3.195 123.393 120.200 -0.003 0.000 2.110 386 E HA -0.355 nan 4.350 nan 0.000 0.193 386 E C 1.634 178.233 176.600 -0.002 0.000 0.988 386 E CA 3.130 59.529 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 0.337 120.250 119.914 -0.002 0.000 2.214 387 V HA -0.325 nan 4.120 nan 0.000 0.247 387 V C 2.162 178.254 176.094 -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 -1.276 118.923 120.200 -0.002 0.000 2.171 388 E HA -0.336 nan 4.350 nan 0.000 0.197 388 E C 2.357 178.955 176.600 -0.004 0.000 0.997 388 E CA 2.931 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 1.820 178.118 176.300 -0.005 0.000 1.063 389 M CA 2.726 58.023 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 -0.283 120.115 120.400 -0.003 0.000 2.116 390 K HA -0.247 nan 4.320 nan 0.000 0.203 390 K C 2.215 178.814 176.600 -0.002 0.000 1.052 390 K CA 2.604 58.890 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 0.296 8.399 8.250 -0.002 0.146 0.446 391 E N -0.706 119.493 120.200 -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 3.327 59.727 56.400 -0.002 0.000 0.806 391 E CB -0.419 29.280 29.700 -0.001 0.000 0.750 391 E HN -0.517 7.842 8.360 -0.002 0.000 0.458 392 K N -0.226 120.170 120.400 -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 0.015 0.439 393 K N -1.090 119.303 120.400 -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 3.122 59.400 56.287 -0.015 0.000 0.927 393 K CB -0.182 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 -1.929 120.887 122.820 -0.007 0.000 1.865 394 A HA -0.335 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 3.190 55.227 52.037 0.001 0.000 0.623 394 A CB -0.818 18.186 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 -2.126 118.368 120.500 -0.010 0.000 2.080 395 R HA -0.409 nan 4.340 nan 0.000 0.236 395 R C 2.374 178.655 176.300 -0.032 0.000 1.137 395 R CA 3.369 59.461 56.100 -0.014 0.000 0.943 395 R CB -0.275 30.017 30.300 -0.012 0.000 0.846 395 R HN -0.056 8.033 8.270 -0.008 0.176 0.431 396 V N 0.021 119.910 119.914 -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 66.792 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 0.634 8.695 8.190 -0.034 0.109 0.445 397 E N -1.195 118.929 120.200 -0.127 0.000 2.197 397 E HA -0.556 nan 4.350 nan 0.000 0.205 397 E C 2.128 178.507 176.600 -0.369 0.000 1.029 397 E CA 3.492 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 -0.068 8.244 8.360 -0.079 0.000 0.464 398 D N -1.275 119.052 120.400 -0.121 0.000 2.075 398 D HA -0.229 nan 4.640 nan 0.000 0.196 398 D C 2.037 178.301 176.300 -0.060 0.000 0.985 398 D CA 3.096 57.091 54.000 -0.007 0.000 0.834 398 D CB 0.225 41.037 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 -0.194 122.585 122.820 -0.069 0.000 1.978 399 A HA -0.235 nan 4.320 nan 0.000 0.220 399 A C 2.156 179.693 177.584 -0.078 0.000 1.170 399 A CA 2.818 54.825 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 -2.580 118.539 121.223 -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 3.440 58.179 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 -1.128 117.940 119.070 -0.003 0.000 2.293 401 H HA -0.383 nan 4.556 nan 0.000 0.300 401 H C 1.963 177.292 175.328 0.002 0.000 1.082 401 H CA 3.382 59.428 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 -0.348 7.572 8.280 -0.415 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 3.352 55.425 52.037 0.061 0.000 0.633 402 A CB -0.924 18.099 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 2.100 176.814 174.700 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 1.571 122.092 120.500 0.035 0.000 2.148 404 R HA -0.257 nan 4.340 nan 0.000 0.227 404 R C 1.608 177.931 176.300 0.039 0.000 1.103 404 R CA 2.189 58.312 56.100 0.039 0.000 0.983 404 R CB -0.793 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 -1.173 121.674 122.820 0.045 0.000 1.826 405 A HA -0.118 nan 4.320 nan 0.000 0.214 405 A C 2.098 179.700 177.584 0.031 0.000 1.212 405 A CA 2.572 54.632 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 -1.376 121.461 122.820 0.028 0.000 1.927 406 A HA -0.367 nan 4.320 nan 0.000 0.220 406 A C 2.163 179.759 177.584 0.019 0.000 1.185 406 A CA 3.095 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 -0.091 8.078 8.150 0.031 0.000 0.451 407 V N -2.448 117.477 119.914 0.019 0.000 2.380 407 V HA -0.485 nan 4.120 nan 0.000 0.251 407 V C 1.968 178.071 176.094 0.015 0.000 1.063 407 V CA 3.804 66.113 62.300 0.015 0.000 1.055 407 V CB -0.937 30.895 31.823 0.014 0.000 0.657 407 V HN 0.192 8.276 8.190 0.021 0.118 0.455 408 E N -1.300 118.910 120.200 0.018 0.000 2.012 408 E HA -0.144 nan 4.350 nan 0.000 0.192 408 E C 1.726 178.336 176.600 0.015 0.000 0.977 408 E CA 2.145 58.554 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 -1.719 118.491 120.200 0.017 0.000 2.465 409 E HA 0.052 nan 4.350 nan 0.000 0.191 409 E C -0.398 176.210 176.600 0.015 0.000 1.053 409 E CA -0.452 55.957 56.400 0.015 0.000 0.869 409 E CB 0.953 30.662 29.700 0.014 0.000 0.977 409 E HN -0.338 8.034 8.360 0.019 0.000 0.483 410 G N -1.444 107.366 108.800 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 -2.661 172.249 174.900 0.017 0.000 1.321 410 G CA -0.318 44.792 45.100 0.015 0.000 0.893 410 G HN -0.134 8.099 8.290 0.016 0.067 0.569 411 V N 0.728 120.653 119.914 0.017 0.000 2.488 411 V HA 0.649 nan 4.120 nan 0.000 0.293 411 V C -0.751 175.355 176.094 0.020 0.000 1.027 411 V CA -1.762 60.549 62.300 0.018 0.000 0.862 411 V CB 1.635 33.468 31.823 0.018 0.000 1.008 411 V HN -0.420 7.780 8.190 0.016 0.000 0.428 412 V N 4.272 124.198 119.914 0.020 0.000 2.997 412 V HA 0.708 nan 4.120 nan 0.000 0.311 412 V C -0.982 175.126 176.094 0.023 0.000 1.066 412 V CA -3.571 58.741 62.300 0.021 0.000 1.039 412 V CB 1.888 33.722 31.823 0.020 0.000 1.081 412 V HN -0.095 8.107 8.190 0.020 0.000 0.467 413 A N 0.847 123.682 122.820 0.026 0.000 2.545 413 A HA -0.026 nan 4.320 nan 0.000 0.253 413 A C 0.121 177.718 177.584 0.023 0.000 1.074 413 A CA 0.568 52.621 52.037 0.028 0.000 0.760 413 A CB -0.335 18.685 19.000 0.035 0.000 1.005 413 A HN 0.020 8.312 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 -1.123 107.688 108.800 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 0.401 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 -2.907 105.902 108.800 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 0.436 175.338 174.900 0.004 0.000 0.989 416 G CA 0.181 45.287 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 0.708 120.626 119.914 0.006 0.000 2.446 417 V HA -0.247 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 65.381 62.300 -0.001 0.000 1.045 417 V CB -0.558 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 0.445 123.272 122.820 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 -1.187 17.823 19.000 0.016 0.000 0.830 418 A HN -0.445 7.713 8.150 0.014 0.000 0.446 419 L N -2.667 118.562 121.223 0.009 0.000 2.043 419 L HA -0.349 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 8.030 8.230 0.010 0.000 0.432 420 I N -4.806 115.766 120.570 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 0.373 61.673 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 -0.602 119.903 120.500 0.009 0.000 2.128 421 R HA -0.028 nan 4.340 nan 0.000 0.211 421 R C 1.199 177.510 176.300 0.019 0.000 1.067 421 R CA 2.266 58.377 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 -6.428 113.495 119.914 0.015 0.000 2.599 422 V HA 0.269 nan 4.120 nan 0.000 0.245 422 V C 1.239 177.338 176.094 0.010 0.000 1.046 422 V CA 2.177 64.485 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 8.147 8.190 0.013 0.000 0.464 423 A N 0.530 123.355 122.820 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 54.357 52.037 0.006 0.000 0.778 423 A CB -0.917 18.085 19.000 0.004 0.000 0.779 423 A HN -0.179 7.975 8.150 0.007 0.000 0.483 424 S N -4.465 111.241 115.700 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 0.801 59.008 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 3.263 123.670 120.400 0.012 0.000 2.296 425 K HA -0.107 nan 4.320 nan 0.000 0.200 425 K C 1.099 177.705 176.600 0.008 0.000 1.048 425 K CA 2.204 58.498 56.287 0.012 0.000 0.966 425 K CB 0.190 32.698 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 -2.326 118.901 121.223 0.007 0.000 2.728 426 L HA 0.176 nan 4.340 nan 0.000 0.235 426 L C 0.190 177.063 176.870 0.005 0.000 1.197 426 L CA -1.214 53.629 54.840 0.005 0.000 0.992 426 L CB -1.112 40.949 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 -0.268 nan 4.320 nan 0.000 0.220 427 A C 0.298 177.885 177.584 0.004 0.000 1.164 427 A CA 2.562 54.602 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 8.405 8.370 0.005 0.021 0.489 429 L N -0.092 121.133 121.223 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 43.660 42.059 0.002 0.000 1.223 429 L HN -0.640 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 -2.191 53.910 56.100 0.002 0.000 1.020 430 R CB 3.367 33.669 30.300 0.002 0.000 1.206 430 R HN 0.266 8.537 8.270 0.002 0.000 0.491 431 G N -2.510 106.290 108.800 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 -0.190 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 2.261 58.065 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 8.569 8.270 0.002 -0.151 0.418 433 N N -8.238 110.463 118.700 0.002 0.000 3.449 433 N HA -0.007 nan 4.740 nan 0.000 0.312 433 N C -0.861 174.650 175.510 0.002 0.000 1.582 433 N CA -0.882 52.169 53.050 0.002 0.000 0.850 433 N CB 1.240 39.728 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 -1.109 119.092 120.200 0.002 0.000 2.001 434 E HA -0.341 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 -0.183 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 -0.736 119.665 120.400 0.002 0.000 2.191 435 D HA -0.345 nan 4.640 nan 0.000 0.195 435 D C 2.805 179.107 176.300 0.003 0.000 1.003 435 D CA 3.047 57.049 54.000 0.003 0.000 0.867 435 D CB -0.580 40.222 40.800 0.003 0.000 0.926 435 D HN -0.244 8.157 8.370 0.002 -0.031 0.450 436 Q N -2.609 117.193 119.800 0.003 0.000 2.224 436 Q HA -0.284 nan 4.340 nan 0.000 0.203 436 Q C 2.451 178.453 176.000 0.002 0.000 0.970 436 Q CA 2.679 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 -0.305 8.235 8.270 0.003 -0.268 0.445 437 N N 1.067 119.769 118.700 0.002 0.000 2.207 437 N HA -0.172 nan 4.740 nan 0.000 0.182 437 N C 1.808 177.319 175.510 0.002 0.000 1.020 437 N CA 3.039 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 0.094 8.327 8.380 0.002 0.148 0.427 438 V N -0.736 119.179 119.914 0.002 0.000 3.305 438 V HA -0.097 nan 4.120 nan 0.000 0.269 438 V C 0.584 176.680 176.094 0.003 0.000 1.157 438 V CA 2.233 64.535 62.300 0.002 0.000 1.157 438 V CB -0.872 30.953 31.823 0.002 0.000 0.772 438 V HN 0.092 8.284 8.190 0.002 0.000 0.498 439 G N -0.572 108.230 108.800 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 0.649 175.550 174.900 0.003 0.000 1.164 439 G CA 1.350 46.452 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 2.444 123.015 120.570 0.002 0.000 2.163 440 I HA -0.581 nan 4.170 nan 0.000 0.243 440 I C 1.277 177.395 176.117 0.002 0.000 1.085 440 I CA 3.709 65.010 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 -0.750 119.651 120.400 0.002 0.000 2.280 441 K HA -0.290 nan 4.320 nan 0.000 0.202 441 K C 2.078 178.680 176.600 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 32.458 32.500 0.002 0.000 0.739 441 K HN 0.138 8.279 8.250 0.002 0.110 0.457 442 V N -0.136 119.780 119.914 0.003 0.000 2.255 442 V HA -0.331 nan 4.120 nan 0.000 0.243 442 V C 1.713 177.809 176.094 0.003 0.000 1.038 442 V CA 3.474 65.776 62.300 0.003 0.000 1.008 442 V CB -0.562 31.264 31.823 0.004 0.000 0.645 442 V HN -0.439 7.582 8.190 0.003 0.170 0.449 443 A N -1.763 121.059 122.820 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 -3.348 117.876 121.223 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 57.443 54.840 0.002 0.000 0.745 444 L CB -0.419 41.641 42.059 0.002 0.000 0.900 444 L HN -0.528 7.677 8.230 0.002 0.026 0.435 445 R N -2.973 117.528 120.500 0.001 0.000 2.237 445 R HA -0.224 nan 4.340 nan 0.000 0.219 445 R C 1.728 178.028 176.300 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 -0.180 122.641 122.820 0.002 0.000 1.872 446 A HA -0.074 nan 4.320 nan 0.000 0.214 446 A C 1.622 179.208 177.584 0.004 0.000 1.187 446 A CA 2.236 54.276 52.037 0.004 0.000 0.614 446 A CB -0.261 18.742 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 -3.884 115.718 119.600 0.003 0.000 2.539 447 M HA -0.296 nan 4.480 nan 0.000 0.261 447 M C 0.754 177.054 176.300 0.001 0.000 1.069 447 M CA 2.839 58.141 55.300 0.003 0.000 1.081 447 M CB 0.038 32.640 32.600 0.003 0.000 1.412 447 M HN -0.576 7.628 8.290 0.003 0.088 0.482 448 E N -3.218 116.981 120.200 -0.002 0.000 2.489 448 E HA -0.048 nan 4.350 nan 0.000 0.193 448 E C 0.477 177.072 176.600 -0.009 0.000 1.057 448 E CA 0.448 56.844 56.400 -0.007 0.000 0.866 448 E CB -0.203 29.492 29.700 -0.009 0.000 0.916 448 E HN -0.577 7.621 8.360 -0.001 0.161 0.500 449 A N 0.526 123.344 122.820 -0.004 0.000 1.858 449 A HA -0.097 nan 4.320 nan 0.000 0.216 449 A C -0.849 176.733 177.584 -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 16.629 19.000 0.002 0.000 0.827 449 A HN -0.106 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 2.594 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 -0.400 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 3.419 58.244 54.840 -0.025 0.000 0.762 451 L CB -0.267 41.773 42.059 -0.033 0.000 0.889 451 L HN -0.232 7.992 8.230 -0.009 0.000 0.433 452 R N -3.223 117.251 120.500 -0.043 0.000 2.174 452 R HA -0.505 nan 4.340 nan 0.000 0.253 452 R C 2.576 178.853 176.300 -0.039 0.000 1.165 452 R CA 3.300 59.371 56.100 -0.048 0.000 0.984 452 R CB -0.537 29.743 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 -0.778 119.007 119.800 -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 2.312 58.106 55.803 -0.016 0.000 0.827 453 Q CB -0.630 28.103 28.738 -0.007 0.000 0.894 453 Q HN -0.620 7.500 8.270 -0.021 0.138 0.438 454 I N 0.158 120.721 120.570 -0.012 0.000 2.130 454 I HA -0.656 nan 4.170 nan 0.000 0.241 454 I C 2.101 178.215 176.117 -0.006 0.000 1.023 454 I CA 4.332 65.631 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 0.122 8.326 8.210 -0.010 0.000 0.407 455 V N -1.421 118.468 119.914 -0.042 0.000 2.490 455 V HA -0.348 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 3.870 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 -0.298 120.899 121.223 -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 3.006 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 0.171 8.254 8.230 -0.044 0.120 0.432 457 N N -1.689 117.008 118.700 -0.005 0.000 2.223 457 N HA -0.229 nan 4.740 nan 0.000 0.185 457 N C 2.331 177.846 175.510 0.009 0.000 1.016 457 N CA 3.335 56.387 53.050 0.003 0.000 0.863 457 N CB -0.047 38.444 38.487 0.006 0.000 0.983 457 N HN -0.377 7.999 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 -0.167 nan 4.460 nan 0.000 0.278 458 C C 1.361 176.364 174.990 0.021 0.000 1.295 458 C CA 2.695 61.731 59.018 0.030 0.000 1.738 458 C CB -0.936 26.843 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 -2.216 106.589 108.800 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 1.059 121.257 120.200 -0.003 0.000 2.345 460 E HA 0.091 nan 4.350 nan 0.000 0.259 460 E C -0.987 175.588 176.600 -0.042 0.000 1.117 460 E CA -1.260 55.132 56.400 -0.013 0.000 0.913 460 E CB 1.013 30.709 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 -0.211 119.967 120.200 -0.037 0.000 2.299 461 E HA 0.133 nan 4.350 nan 0.000 0.272 461 E C -0.064 176.494 176.600 -0.070 0.000 1.043 461 E CA -1.891 54.485 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 -2.405 113.270 115.700 -0.041 0.000 2.496 463 S HA -0.055 nan 4.470 nan 0.000 0.224 463 S C 0.972 175.561 174.600 -0.019 0.000 0.996 463 S CA 1.940 60.125 58.200 -0.026 0.000 0.927 463 S CB -0.147 63.044 63.200 -0.016 0.000 0.774 463 S HN 0.143 8.431 8.310 -0.036 0.000 0.524 464 V N 0.353 120.255 119.914 -0.020 0.000 2.599 464 V HA -0.120 nan 4.120 nan 0.000 0.245 464 V C 1.014 177.125 176.094 0.028 0.000 1.046 464 V CA 3.074 65.378 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 -1.032 118.858 119.914 -0.040 0.000 2.346 465 V HA -0.311 nan 4.120 nan 0.000 0.244 465 V C 1.406 177.493 176.094 -0.011 0.000 1.037 465 V CA 4.374 66.645 62.300 -0.048 0.000 1.029 465 V CB -1.048 30.500 31.823 -0.458 0.000 0.663 465 V HN -0.602 7.532 8.190 -0.093 0.000 0.454 466 A N -1.499 121.288 122.820 -0.054 0.000 2.070 466 A HA -0.332 nan 4.320 nan 0.000 0.220 466 A C 1.679 179.256 177.584 -0.011 0.000 1.159 466 A CA 3.221 55.238 52.037 -0.034 0.000 0.656 466 A CB -0.716 18.262 19.000 -0.038 0.000 0.800 466 A HN -0.338 7.764 8.150 -0.080 0.000 0.453 467 N N -3.664 115.034 118.700 -0.003 0.000 2.251 467 N HA -0.103 nan 4.740 nan 0.000 0.181 467 N C 1.855 177.367 175.510 0.004 0.000 1.019 467 N CA 2.671 55.721 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 3.697 118.256 114.554 0.009 0.000 2.668 468 T HA -0.225 nan 4.350 nan 0.000 0.258 468 T C 2.226 176.912 174.700 -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 68.588 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 1.764 121.670 119.914 -0.015 0.000 2.453 469 V HA -0.441 nan 4.120 nan 0.000 0.252 469 V C 1.637 177.695 176.094 -0.060 0.000 1.068 469 V CA 3.924 66.148 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 0.514 120.907 120.400 -0.011 0.000 1.985 470 K HA -0.267 nan 4.320 nan 0.000 0.210 470 K C 1.216 177.836 176.600 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 0.029 0.439 471 G N -3.498 105.327 108.800 0.042 0.000 3.458 471 G HA2 0.084 nan 3.960 nan 0.000 0.256 471 G HA3 0.084 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 -0.253 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 0.164 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 -2.170 172.878 174.900 0.247 0.000 2.403 472 G CA -0.252 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 2.244 122.719 120.400 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 1.921 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 8.302 8.370 0.085 0.000 0.453 474 G N 1.243 110.098 108.800 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 44.722 45.100 0.089 0.000 0.915 474 G HN 0.140 8.474 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 -0.026 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 -0.075 53.032 53.050 0.095 0.000 0.832 475 N CB -0.398 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 1.267 121.597 120.300 0.050 0.000 2.442 476 Y HA -0.089 nan 4.550 nan 0.000 0.330 476 Y C -1.875 174.089 175.900 0.106 0.000 1.129 476 Y CA 0.445 58.587 58.100 0.071 0.000 1.365 476 Y CB 0.284 38.779 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 -3.670 171.206 174.900 -0.040 0.000 1.341 477 G CA -0.791 44.166 45.100 -0.238 0.000 0.784 477 G HN 0.367 8.738 8.290 0.135 0.000 0.497 478 Y N -0.369 119.842 120.300 -0.147 0.000 2.491 478 Y HA 0.150 nan 4.550 nan 0.000 0.334 478 Y C -1.307 174.494 175.900 -0.165 0.000 0.969 478 Y CA -1.908 56.039 58.100 -0.254 0.000 1.241 478 Y CB 0.464 38.678 38.460 -0.411 0.000 1.105 478 Y HN -0.072 8.258 8.280 0.083 0.000 0.503 479 N N 8.394 126.928 118.700 -0.278 0.000 2.406 479 N HA -0.118 nan 4.740 nan 0.000 0.269 479 N C -0.137 175.144 175.510 -0.381 0.000 1.210 479 N CA -0.532 52.389 53.050 -0.215 0.000 0.966 479 N CB -0.162 38.233 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 1.125 178.657 177.584 -0.086 0.000 1.154 480 A CA 2.474 54.467 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 -2.911 119.858 122.820 -0.086 0.000 2.067 481 A HA -0.191 nan 4.320 nan 0.000 0.219 481 A C 0.656 178.192 177.584 -0.079 0.000 1.158 481 A CA 2.605 54.607 52.037 -0.060 0.000 0.661 481 A CB -0.260 18.714 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 -9.407 105.066 114.554 -0.136 0.000 3.130 482 T HA 0.183 nan 4.350 nan 0.000 0.288 482 T C 0.118 174.686 174.700 -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 -1.364 118.604 120.200 -0.387 0.000 2.637 483 E HA -0.429 nan 4.350 nan 0.000 0.265 483 E C -1.370 174.724 176.600 -0.842 0.000 1.073 483 E CA 1.483 57.445 56.400 -0.730 0.000 0.778 483 E CB -1.596 27.955 29.700 -0.249 0.000 1.362 483 E HN 0.258 8.280 8.360 -0.356 0.124 0.413 484 E N -2.987 116.817 120.200 -0.661 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 -0.365 0.000 0.781 484 E CB 1.959 31.574 29.700 -0.142 0.000 1.140 484 E HN -0.430 7.565 8.360 -0.567 0.025 0.402 485 Y N 2.357 122.659 120.300 0.003 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 37.685 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 1.428 110.439 108.800 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 0.807 119.620 118.700 0.189 0.000 2.416 487 N HA 0.041 nan 4.740 nan 0.000 0.271 487 N C 1.614 177.186 175.510 0.105 0.000 1.245 487 N CA 0.707 53.852 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 5.854 125.515 119.600 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 59.634 55.300 0.057 0.000 1.095 488 M CB -0.430 32.198 32.600 0.046 0.000 1.365 488 M HN 0.355 8.725 8.290 0.133 0.000 0.406 489 I N -1.445 119.152 120.570 0.046 0.000 2.353 489 I HA -0.349 nan 4.170 nan 0.000 0.248 489 I C 3.113 179.248 176.117 0.029 0.000 1.119 489 I CA 2.526 63.846 61.300 0.034 0.000 1.417 489 I CB -1.468 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 1.299 121.720 120.400 0.035 0.000 2.178 490 D HA -0.170 nan 4.640 nan 0.000 0.202 490 D C 1.854 178.168 176.300 0.022 0.000 0.974 490 D CA 2.998 57.015 54.000 0.028 0.000 0.841 490 D CB 0.071 40.891 40.800 0.032 0.000 0.953 490 D HN 0.126 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 0.455 176.759 176.300 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 33.007 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 45.967 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 3.866 124.441 120.570 0.009 0.000 2.268 493 I HA 0.232 nan 4.170 nan 0.000 0.290 493 I C -1.304 174.821 176.117 0.014 0.000 1.125 493 I CA -1.120 60.184 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 8.000 8.210 0.012 0.042 0.512 494 L N 2.203 123.434 121.223 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 52.607 54.840 0.017 0.000 0.943 494 L CB 2.687 44.757 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 -4.790 115.622 120.400 0.020 0.000 2.745 495 D HA 0.358 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 -1.413 52.600 54.000 0.022 0.000 0.781 495 D CB 0.384 41.198 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 -0.234 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 0.563 63.678 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 2.203 116.770 114.554 0.022 0.000 2.942 497 T HA -0.174 nan 4.350 nan 0.000 0.265 497 T C 1.659 176.372 174.700 0.021 0.000 1.062 497 T CA 4.281 66.392 62.100 0.019 0.000 1.139 497 T CB -0.053 68.824 68.868 0.016 0.000 0.883 497 T HN 0.281 8.436 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 1.483 178.106 176.600 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 32.120 32.500 0.034 0.000 0.714 498 K HN 0.163 8.415 8.250 0.024 0.013 0.443 499 V N -6.806 113.133 119.914 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 2.980 65.309 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 1.462 116.036 114.554 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 4.066 66.182 62.100 0.026 0.000 1.132 500 T CB -0.456 68.424 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 2.292 122.801 120.500 0.015 0.000 2.052 501 R HA -0.210 nan 4.340 nan 0.000 0.226 501 R C 1.619 177.907 176.300 -0.021 0.000 1.145 501 R CA 3.328 59.424 56.100 -0.006 0.000 0.952 501 R CB 0.401 30.696 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 -0.586 115.121 115.700 0.012 0.000 2.653 502 S HA -0.176 nan 4.470 nan 0.000 0.233 502 S C 1.059 175.759 174.600 0.165 0.000 0.970 502 S CA 2.110 60.334 58.200 0.039 0.000 0.947 502 S CB -0.412 62.902 63.200 0.191 0.000 0.771 502 S HN 0.342 8.566 8.310 0.032 0.105 0.538 503 A N 1.238 124.113 122.820 0.092 0.000 1.942 503 A HA 0.083 nan 4.320 nan 0.000 0.209 503 A C 1.027 178.653 177.584 0.069 0.000 1.214 503 A CA 2.263 54.363 52.037 0.104 0.000 0.686 503 A CB -0.248 18.791 19.000 0.064 0.000 0.871 503 A HN -0.469 7.503 8.150 0.051 0.209 0.460 504 L N -0.763 120.472 121.223 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 2.954 57.793 54.840 -0.002 0.000 0.779 504 L CB -0.216 41.837 42.059 -0.010 0.000 0.922 504 L HN -0.629 7.527 8.230 0.014 0.083 0.443 505 Q N -1.685 118.047 119.800 -0.113 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 3.337 58.993 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 0.389 8.495 8.270 -0.100 0.105 0.433 506 Y N -2.514 117.790 120.300 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 1.986 60.090 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 7.461 8.280 -0.087 0.000 0.549 507 A N -0.575 122.324 122.820 0.131 0.000 1.883 507 A HA -0.402 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 3.120 55.205 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 -5.137 117.700 122.820 0.029 0.000 2.169 508 A HA -0.082 nan 4.320 nan 0.000 0.212 508 A C 1.724 179.320 177.584 0.021 0.000 1.153 508 A CA 1.775 53.821 52.037 0.016 0.000 0.756 508 A CB -0.823 18.175 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 0.130 115.853 115.700 0.038 0.000 2.335 509 S HA -0.212 nan 4.470 nan 0.000 0.217 509 S C 1.968 176.604 174.600 0.061 0.000 1.032 509 S CA 3.364 61.596 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 -0.742 7.425 8.310 0.050 0.173 0.445 510 V N 0.552 120.513 119.914 0.077 0.000 2.233 510 V HA -0.424 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 3.066 65.401 62.300 0.057 0.000 1.010 510 V CB -1.332 30.523 31.823 0.054 0.000 0.637 510 V HN -0.527 7.725 8.190 0.104 0.000 0.444 511 A N -1.561 121.282 122.820 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 -1.721 107.094 108.800 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 1.143 176.056 174.900 0.022 0.000 1.189 512 G CA 1.396 46.509 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 1.148 122.387 121.223 0.027 0.000 2.129 513 L HA -0.442 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 2.817 57.673 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 32.855 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 -0.525 120.058 120.570 0.020 0.000 2.315 515 I HA -0.365 nan 4.170 nan 0.000 0.248 515 I C 1.412 177.541 176.117 0.020 0.000 1.117 515 I CA 3.017 64.328 61.300 0.018 0.000 1.404 515 I CB 0.176 38.186 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 -6.684 107.882 114.554 0.021 0.000 3.235 516 T HA 0.169 nan 4.350 nan 0.000 0.251 516 T C 0.236 174.952 174.700 0.027 0.000 1.060 516 T CA -0.706 61.408 62.100 0.023 0.000 0.949 516 T CB -0.653 68.228 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 3.391 117.962 114.554 0.028 0.000 2.882 517 T HA 0.136 nan 4.350 nan 0.000 0.287 517 T C -0.351 174.373 174.700 0.040 0.000 0.992 517 T CA 0.664 62.783 62.100 0.031 0.000 1.076 517 T CB 1.219 70.103 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 1.200 121.432 120.200 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 57.120 56.400 0.087 0.000 1.135 518 E CB 1.989 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 -1.865 57.093 59.018 -0.101 0.000 1.461 519 C CB 1.995 29.680 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 5.912 125.444 119.600 -0.113 0.000 2.263 520 M HA 0.355 nan 4.480 nan 0.000 0.295 520 M C -1.873 174.456 176.300 0.049 0.000 1.028 520 M CA -0.514 54.806 55.300 0.034 0.000 0.921 520 M CB 3.724 36.449 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 3.718 123.633 119.914 0.001 0.000 2.448 521 V HA 0.429 nan 4.120 nan 0.000 0.295 521 V C -1.014 175.027 176.094 -0.087 0.000 1.025 521 V CA -0.225 62.058 62.300 -0.027 0.000 0.859 521 V CB 1.311 33.110 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 5.391 119.856 114.554 -0.149 0.000 2.754 522 T HA 0.429 nan 4.350 nan 0.000 0.296 522 T C -1.732 172.860 174.700 -0.179 0.000 1.205 522 T CA -0.957 60.997 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