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_C 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 5.332 125.506 120.400 -0.377 0.000 2.422 7 K HA 0.460 nan 4.320 nan 0.000 0.251 7 K C -2.128 174.129 176.600 -0.572 0.000 0.933 7 K CA -1.222 54.786 56.287 -0.465 0.000 0.798 7 K CB 4.574 36.651 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 0.075 119.977 119.950 -0.080 0.000 2.538 8 F HA 0.655 nan 4.527 nan 0.000 0.325 8 F C 0.526 176.296 175.800 -0.051 0.000 1.066 8 F CA -0.745 57.228 58.000 -0.045 0.000 0.946 8 F CB 2.784 41.766 39.000 -0.030 0.000 1.199 8 F HN 0.076 8.380 8.300 0.007 0.000 0.473 9 G N 1.146 110.058 108.800 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 0.166 175.086 174.900 0.034 0.000 1.299 9 G CA 1.303 46.458 45.100 0.092 0.000 0.989 9 G HN 0.496 8.931 8.290 0.241 0.000 0.547 10 N N 3.326 122.039 118.700 0.021 0.000 2.137 10 N HA -0.381 nan 4.740 nan 0.000 0.190 10 N C 1.832 177.327 175.510 -0.024 0.000 1.017 10 N CA 3.121 56.170 53.050 -0.001 0.000 0.859 10 N CB -0.166 38.321 38.487 -0.001 0.000 1.002 10 N HN 0.225 8.622 8.380 0.028 0.000 0.428 11 D N -0.603 119.776 120.400 -0.035 0.000 2.264 11 D HA -0.201 nan 4.640 nan 0.000 0.208 11 D C 1.185 177.389 176.300 -0.159 0.000 0.966 11 D CA 2.782 56.728 54.000 -0.090 0.000 0.864 11 D CB -0.520 40.227 40.800 -0.087 0.000 0.933 11 D HN -0.397 7.948 8.370 -0.010 0.019 0.499 12 A N -0.604 122.144 122.820 -0.120 0.000 1.903 12 A HA 0.042 nan 4.320 nan 0.000 0.213 12 A C 1.949 179.500 177.584 -0.055 0.000 1.185 12 A CA 2.459 54.419 52.037 -0.128 0.000 0.628 12 A CB -0.347 18.608 19.000 -0.074 0.000 0.830 12 A HN 0.166 8.108 8.150 -0.064 0.169 0.446 13 G N -1.539 107.243 108.800 -0.030 0.000 2.408 13 G HA2 -0.259 nan 3.960 nan 0.000 0.217 13 G HA3 -0.259 nan 3.960 nan 0.000 0.217 13 G C 1.078 175.972 174.900 -0.010 0.000 1.150 13 G CA 2.009 47.103 45.100 -0.009 0.000 0.776 13 G HN -0.242 7.937 8.290 -0.029 0.094 0.542 14 V N -2.636 117.263 119.914 -0.025 0.000 2.626 14 V HA -0.133 nan 4.120 nan 0.000 0.252 14 V C 1.744 177.832 176.094 -0.011 0.000 1.067 14 V CA 3.015 65.304 62.300 -0.019 0.000 1.081 14 V CB -0.894 30.912 31.823 -0.027 0.000 0.686 14 V HN 0.445 8.516 8.190 -0.038 0.096 0.468 15 K N 0.060 120.449 120.400 -0.017 0.000 2.098 15 K HA -0.080 nan 4.320 nan 0.000 0.203 15 K C 2.378 179.010 176.600 0.053 0.000 1.051 15 K CA 1.810 58.112 56.287 0.026 0.000 0.957 15 K CB -0.609 31.916 32.500 0.041 0.000 0.738 15 K HN -0.685 7.404 8.250 -0.042 0.136 0.447 16 M N -0.448 119.178 119.600 0.044 0.000 2.117 16 M HA -0.335 nan 4.480 nan 0.000 0.262 16 M C 2.418 178.736 176.300 0.029 0.000 1.065 16 M CA 3.841 59.167 55.300 0.043 0.000 1.114 16 M CB 0.177 32.798 32.600 0.036 0.000 1.361 16 M HN -0.456 7.852 8.290 0.029 0.000 0.408 17 L N -1.516 119.720 121.223 0.021 0.000 2.027 17 L HA -0.315 nan 4.340 nan 0.000 0.206 17 L C 1.538 178.417 176.870 0.016 0.000 1.074 17 L CA 3.259 58.108 54.840 0.016 0.000 0.745 17 L CB -0.409 41.656 42.059 0.010 0.000 0.898 17 L HN -0.250 7.985 8.230 0.017 0.005 0.433 18 R N -1.662 118.848 120.500 0.017 0.000 2.119 18 R HA -0.420 nan 4.340 nan 0.000 0.246 18 R C 2.714 179.026 176.300 0.020 0.000 1.146 18 R CA 3.849 59.960 56.100 0.017 0.000 0.962 18 R CB -0.223 30.089 30.300 0.020 0.000 0.863 18 R HN -0.257 8.023 8.270 0.016 0.000 0.442 19 G N -4.966 103.849 108.800 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 0.572 175.482 174.900 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 3.269 123.194 119.914 0.017 0.000 2.446 20 V HA -0.272 nan 4.120 nan 0.000 0.244 20 V C 1.513 177.614 176.094 0.012 0.000 1.039 20 V CA 3.590 65.899 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 -0.277 7.747 8.190 0.019 0.178 0.459 21 N N -0.765 117.942 118.700 0.011 0.000 2.166 21 N HA -0.275 nan 4.740 nan 0.000 0.186 21 N C 2.263 177.778 175.510 0.008 0.000 1.019 21 N CA 3.420 56.475 53.050 0.009 0.000 0.856 21 N CB -0.557 37.935 38.487 0.008 0.000 0.993 21 N HN -0.043 8.344 8.380 0.012 0.000 0.426 22 V N 0.577 120.496 119.914 0.008 0.000 2.237 22 V HA -0.359 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 4.052 66.356 62.300 0.007 0.000 1.007 22 V CB -0.617 31.210 31.823 0.007 0.000 0.638 22 V HN -0.752 7.354 8.190 0.010 0.091 0.445 23 L N -0.861 120.365 121.223 0.006 0.000 1.990 23 L HA -0.436 nan 4.340 nan 0.000 0.213 23 L C 1.653 178.527 176.870 0.006 0.000 1.072 23 L CA 3.330 58.173 54.840 0.005 0.000 0.755 23 L CB -0.802 41.260 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 -2.143 120.681 122.820 0.007 0.000 1.877 24 A HA -0.407 nan 4.320 nan 0.000 0.216 24 A C 1.948 179.535 177.584 0.006 0.000 1.186 24 A CA 3.393 55.434 52.037 0.007 0.000 0.620 24 A CB -1.003 18.003 19.000 0.009 0.000 0.822 24 A HN 0.604 8.653 8.150 0.008 0.106 0.443 25 D N -1.216 119.188 120.400 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 56.841 54.000 0.004 0.000 0.847 25 D CB -0.400 40.403 40.800 0.004 0.000 0.942 25 D HN 0.180 8.435 8.370 0.006 0.118 0.467 26 A N -2.103 120.719 122.820 0.004 0.000 1.903 26 A HA 0.025 nan 4.320 nan 0.000 0.213 26 A C 1.474 179.060 177.584 0.004 0.000 1.185 26 A CA 2.420 54.459 52.037 0.003 0.000 0.628 26 A CB 0.600 19.602 19.000 0.003 0.000 0.830 26 A HN -0.605 7.522 8.150 0.004 0.026 0.446 27 V N -2.120 117.797 119.914 0.004 0.000 2.535 27 V HA -0.184 nan 4.120 nan 0.000 0.246 27 V C 2.229 178.327 176.094 0.006 0.000 1.045 27 V CA 3.348 65.651 62.300 0.005 0.000 1.058 27 V CB -0.482 31.344 31.823 0.005 0.000 0.689 27 V HN -0.636 7.556 8.190 0.004 0.000 0.461 28 K N -0.020 120.383 120.400 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 -0.578 31.925 32.500 0.005 0.000 0.766 28 K HN 0.044 8.297 8.250 0.005 0.000 0.474 29 V N -0.505 119.412 119.914 0.004 0.000 2.759 29 V HA -0.203 nan 4.120 nan 0.000 0.256 29 V C 1.012 177.108 176.094 0.004 0.000 1.080 29 V CA 3.077 65.379 62.300 0.003 0.000 1.101 29 V CB -0.639 31.186 31.823 0.003 0.000 0.698 29 V HN -0.013 8.008 8.190 0.004 0.171 0.477 30 T N -4.803 109.754 114.554 0.005 0.000 3.081 30 T HA -0.001 nan 4.350 nan 0.000 0.250 30 T C 0.226 174.931 174.700 0.007 0.000 1.100 30 T CA 0.055 62.159 62.100 0.006 0.000 1.038 30 T CB -0.033 68.840 68.868 0.007 0.000 0.962 30 T HN -0.403 7.706 8.240 0.005 0.135 0.516 31 L N 3.387 124.614 121.223 0.007 0.000 2.453 31 L HA -0.095 nan 4.340 nan 0.000 0.272 31 L C -0.228 176.648 176.870 0.009 0.000 1.182 31 L CA 1.383 56.228 54.840 0.008 0.000 0.858 31 L CB 0.406 42.470 42.059 0.007 0.000 1.120 31 L HN -0.719 7.332 8.230 0.006 0.182 0.474 32 G N 3.096 111.903 108.800 0.012 0.000 2.570 32 G HA2 -0.135 nan 3.960 nan 0.000 0.686 32 G HA3 -0.135 nan 3.960 nan 0.000 0.686 32 G C -1.805 173.103 174.900 0.014 0.000 1.257 32 G CA -0.693 44.416 45.100 0.015 0.000 0.846 32 G HN -0.450 7.847 8.290 0.012 0.000 0.627 33 P HA -0.020 nan 4.420 nan 0.000 0.236 33 P C -1.005 176.300 177.300 0.009 0.000 1.177 33 P CA 0.805 63.910 63.100 0.009 0.000 0.773 33 P CB 0.261 31.964 31.700 0.005 0.000 0.878 34 K N -1.529 118.879 120.400 0.013 0.000 3.010 34 K HA 0.255 nan 4.320 nan 0.000 0.211 34 K C -0.504 176.102 176.600 0.010 0.000 1.146 34 K CA -1.898 54.396 56.287 0.011 0.000 1.070 34 K CB -1.186 31.323 32.500 0.015 0.000 0.908 34 K HN -0.081 8.119 8.250 0.016 0.060 0.463 35 G N -0.650 108.155 108.800 0.009 0.000 2.544 35 G HA2 0.009 nan 3.960 nan 0.000 0.242 35 G HA3 0.009 nan 3.960 nan 0.000 0.242 35 G C -1.277 173.626 174.900 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 1.465 121.968 120.500 0.006 0.000 2.596 36 R HA 0.133 nan 4.340 nan 0.000 0.267 36 R C -0.527 175.776 176.300 0.005 0.000 1.026 36 R CA -2.598 53.505 56.100 0.005 0.000 1.087 36 R CB 1.490 31.793 30.300 0.004 0.000 1.132 36 R HN 0.014 8.287 8.270 0.005 0.000 0.531 37 N N -1.343 117.360 118.700 0.005 0.000 2.483 37 N HA 0.126 nan 4.740 nan 0.000 0.269 37 N C -0.704 174.809 175.510 0.004 0.000 1.209 37 N CA 0.171 53.224 53.050 0.005 0.000 0.969 37 N CB 1.192 39.682 38.487 0.005 0.000 1.173 37 N HN -0.156 8.226 8.380 0.004 0.000 0.475 38 V N 2.372 122.289 119.914 0.004 0.000 2.577 38 V HA 0.241 nan 4.120 nan 0.000 0.303 38 V C -1.223 174.873 176.094 0.004 0.000 1.042 38 V CA -0.730 61.572 62.300 0.004 0.000 0.872 38 V CB 3.294 35.120 31.823 0.004 0.000 0.998 38 V HN 0.621 8.814 8.190 0.005 0.000 0.423 39 V N 6.573 126.489 119.914 0.003 0.000 2.334 39 V HA 0.453 nan 4.120 nan 0.000 0.267 39 V C -0.342 175.753 176.094 0.001 0.000 1.040 39 V CA -0.887 61.414 62.300 0.003 0.000 0.866 39 V CB -0.993 30.831 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 9.022 130.247 121.223 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 0.539 42.600 42.059 0.003 0.000 1.215 40 L HN 0.789 9.022 8.230 0.004 0.000 0.425 41 D N 5.612 126.008 120.400 -0.006 0.000 2.364 41 D HA -0.167 nan 4.640 nan 0.000 0.236 41 D C -1.414 174.877 176.300 -0.015 0.000 1.221 41 D CA 0.990 54.983 54.000 -0.011 0.000 0.891 41 D CB 1.428 42.217 40.800 -0.019 0.000 1.190 41 D HN 0.318 8.684 8.370 -0.007 0.000 0.449 42 K N 0.004 120.393 120.400 -0.020 0.000 2.512 42 K HA 0.254 nan 4.320 nan 0.000 0.263 42 K C 0.816 177.369 176.600 -0.079 0.000 0.966 42 K CA -1.013 55.258 56.287 -0.027 0.000 0.851 42 K CB 2.672 35.179 32.500 0.013 0.000 1.395 42 K HN -0.141 8.098 8.250 -0.019 0.000 0.440 43 S N 1.469 117.081 115.700 -0.147 0.000 2.381 43 S HA -0.264 nan 4.470 nan 0.000 0.230 43 S C 0.492 174.747 174.600 -0.575 0.000 1.052 43 S CA 2.597 60.561 58.200 -0.393 0.000 1.068 43 S CB -0.168 62.729 63.200 -0.504 0.000 0.918 43 S HN 0.520 8.770 8.310 -0.100 0.000 0.448 44 F N 2.055 122.002 119.950 -0.006 0.000 2.550 44 F HA 0.153 nan 4.527 nan 0.000 0.312 44 F C -0.065 175.732 175.800 -0.004 0.000 1.256 44 F CA -0.534 57.462 58.000 -0.006 0.000 1.182 44 F CB -0.530 38.466 39.000 -0.007 0.000 1.383 44 F HN -0.639 7.673 8.300 0.021 0.000 0.541 45 G N 1.237 110.089 108.800 0.087 0.000 3.016 45 G HA2 -0.340 nan 3.960 nan 0.000 0.518 45 G HA3 -0.340 nan 3.960 nan 0.000 0.518 45 G C -1.378 173.556 174.900 0.057 0.000 1.586 45 G CA -0.214 44.922 45.100 0.060 0.000 1.051 45 G HN -0.396 7.837 8.290 0.008 0.062 0.572 46 A N 0.020 122.861 122.820 0.034 0.000 2.009 46 A HA -0.175 nan 4.320 nan 0.000 0.247 46 A C -2.304 175.294 177.584 0.024 0.000 1.355 46 A CA -0.539 51.515 52.037 0.028 0.000 0.696 46 A CB -0.516 18.504 19.000 0.033 0.000 1.175 46 A HN 0.006 8.172 8.150 0.027 0.000 0.279 47 P HA -0.069 nan 4.420 nan 0.000 0.265 47 P C -0.525 176.783 177.300 0.013 0.000 1.187 47 P CA -0.188 62.918 63.100 0.011 0.000 0.766 47 P CB 0.435 32.139 31.700 0.005 0.000 0.820 48 T N -0.234 114.328 114.554 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 -1.072 61.036 62.100 0.013 0.000 1.013 48 T CB 0.409 69.286 68.868 0.015 0.000 0.912 48 T HN 0.221 8.468 8.240 0.011 0.000 0.484 49 I N 7.754 128.330 120.570 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 -0.012 61.293 61.300 0.007 0.000 1.292 49 I CB -0.771 37.233 38.000 0.007 0.000 1.423 49 I HN 0.403 8.619 8.210 0.010 0.000 0.493 50 T N 6.498 121.057 114.554 0.008 0.000 2.807 50 T HA 0.565 nan 4.350 nan 0.000 0.277 50 T C -1.162 173.542 174.700 0.007 0.000 1.006 50 T CA -1.911 60.194 62.100 0.008 0.000 1.006 50 T CB 3.143 72.016 68.868 0.009 0.000 1.274 50 T HN 0.839 9.083 8.240 0.007 0.000 0.569 51 K N -2.255 118.150 120.400 0.008 0.000 2.817 51 K HA 0.171 nan 4.320 nan 0.000 0.183 51 K C -2.202 174.403 176.600 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 -0.258 120.147 120.400 0.008 0.000 2.414 52 D HA 0.151 nan 4.640 nan 0.000 0.232 52 D C 0.877 177.181 176.300 0.007 0.000 1.070 52 D CA -1.532 52.473 54.000 0.009 0.000 0.839 52 D CB 1.014 41.820 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 5.100 113.904 108.800 0.007 0.000 2.574 53 G HA2 -0.458 nan 3.960 nan 0.000 0.220 53 G HA3 -0.458 nan 3.960 nan 0.000 0.220 53 G C 0.908 175.810 174.900 0.004 0.000 1.173 53 G CA 2.375 47.479 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 0.411 120.326 119.914 0.003 0.000 2.223 54 V HA -0.437 nan 4.120 nan 0.000 0.244 54 V C 1.892 177.988 176.094 0.003 0.000 1.045 54 V CA 4.066 66.367 62.300 0.000 0.000 1.000 54 V CB -0.337 31.484 31.823 -0.002 0.000 0.635 54 V HN -0.616 7.752 8.190 0.004 -0.176 0.445 55 S N -0.750 114.954 115.700 0.006 0.000 2.399 55 S HA -0.501 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 61.935 58.200 0.008 0.000 1.070 55 S CB -0.417 62.788 63.200 0.010 0.000 0.904 55 S HN -0.332 7.981 8.310 0.006 0.000 0.456 56 V N -0.510 119.407 119.914 0.005 0.000 2.307 56 V HA -0.314 nan 4.120 nan 0.000 0.245 56 V C 2.184 178.279 176.094 0.002 0.000 1.045 56 V CA 4.001 66.303 62.300 0.004 0.000 1.024 56 V CB -0.950 30.875 31.823 0.004 0.000 0.651 56 V HN -0.450 7.731 8.190 0.005 0.012 0.449 57 A N -0.106 122.715 122.820 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 -0.292 7.860 8.150 0.002 0.000 0.446 58 R N -2.035 118.466 120.500 0.001 0.000 2.159 58 R HA -0.308 nan 4.340 nan 0.000 0.237 58 R C 1.637 177.939 176.300 0.003 0.000 1.131 58 R CA 2.808 58.910 56.100 0.003 0.000 0.982 58 R CB 0.157 30.462 30.300 0.008 0.000 0.868 58 R HN -0.099 8.150 8.270 0.002 0.022 0.453 59 E N -2.660 117.540 120.200 0.002 0.000 2.405 59 E HA 0.020 nan 4.350 nan 0.000 0.214 59 E C -0.642 175.956 176.600 -0.003 0.000 1.101 59 E CA -0.882 55.517 56.400 -0.001 0.000 1.254 59 E CB -0.604 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 0.739 121.307 120.570 -0.003 0.000 2.466 60 I HA 0.116 nan 4.170 nan 0.000 0.279 60 I C -2.115 173.999 176.117 -0.006 0.000 1.033 60 I CA -0.484 60.814 61.300 -0.004 0.000 1.123 60 I CB 1.301 39.300 38.000 -0.002 0.000 1.237 60 I HN -0.253 7.877 8.210 -0.003 0.079 0.460 61 E N 7.517 127.712 120.200 -0.008 0.000 2.246 61 E HA 0.224 nan 4.350 nan 0.000 0.266 61 E C -1.823 174.771 176.600 -0.011 0.000 0.880 61 E CA -0.882 55.511 56.400 -0.012 0.000 0.762 61 E CB 2.705 32.395 29.700 -0.016 0.000 1.180 61 E HN 0.146 8.501 8.360 -0.008 0.000 0.416 62 L N 4.726 125.943 121.223 -0.009 0.000 2.387 62 L HA 0.222 nan 4.340 nan 0.000 0.266 62 L C 0.383 177.247 176.870 -0.010 0.000 1.059 62 L CA -0.679 54.158 54.840 -0.005 0.000 0.801 62 L CB 1.045 43.106 42.059 0.004 0.000 1.223 62 L HN 0.095 8.319 8.230 -0.011 0.000 0.456 63 E N 1.055 121.251 120.200 -0.006 0.000 2.150 63 E HA -0.278 nan 4.350 nan 0.000 0.193 63 E C 0.028 176.623 176.600 -0.008 0.000 0.985 63 E CA 2.159 58.554 56.400 -0.008 0.000 0.814 63 E CB 0.378 30.076 29.700 -0.003 0.000 0.752 63 E HN 0.437 8.796 8.360 -0.001 0.000 0.466 64 D N -1.042 119.361 120.400 0.006 0.000 2.304 64 D HA 0.031 nan 4.640 nan 0.000 0.250 64 D C 1.160 177.449 176.300 -0.018 0.000 1.107 64 D CA -0.283 53.729 54.000 0.020 0.000 0.885 64 D CB 1.570 42.410 40.800 0.066 0.000 1.192 64 D HN -0.153 8.207 8.370 0.012 0.017 0.436 65 K N 4.713 125.058 120.400 -0.091 0.000 1.985 65 K HA -0.252 nan 4.320 nan 0.000 0.210 65 K C 2.488 178.954 176.600 -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 0.328 8.537 8.250 -0.069 0.000 0.439 66 F N -3.035 116.899 119.950 -0.027 0.000 2.120 66 F HA -0.390 nan 4.527 nan 0.000 0.300 66 F C 2.219 178.005 175.800 -0.023 0.000 1.095 66 F CA 3.949 61.931 58.000 -0.030 0.000 1.249 66 F CB -0.653 38.327 39.000 -0.032 0.000 0.995 66 F HN -0.405 7.939 8.300 -0.188 -0.157 0.480 67 E N -1.870 118.420 120.200 0.149 0.000 2.072 67 E HA -0.419 nan 4.350 nan 0.000 0.190 67 E C 2.217 178.839 176.600 0.037 0.000 0.982 67 E CA 2.622 59.071 56.400 0.080 0.000 0.803 67 E CB -0.478 29.258 29.700 0.061 0.000 0.755 67 E HN -0.420 8.188 8.360 0.161 -0.151 0.453 68 N N 0.227 118.933 118.700 0.009 0.000 2.104 68 N HA -0.342 nan 4.740 nan 0.000 0.190 68 N C 2.057 177.559 175.510 -0.013 0.000 1.024 68 N CA 3.158 56.201 53.050 -0.013 0.000 0.853 68 N CB 0.301 38.765 38.487 -0.037 0.000 1.008 68 N HN -0.209 8.108 8.380 0.006 0.067 0.424 69 M N -0.782 118.807 119.600 -0.019 0.000 2.084 69 M HA -0.431 nan 4.480 nan 0.000 0.259 69 M C 2.022 178.329 176.300 0.012 0.000 1.072 69 M CA 4.107 59.400 55.300 -0.012 0.000 1.107 69 M CB -0.050 32.544 32.600 -0.010 0.000 1.299 69 M HN 0.423 8.625 8.290 -0.030 0.070 0.413 70 G N -4.071 104.751 108.800 0.036 0.000 2.499 70 G HA2 -0.344 nan 3.960 nan 0.000 0.221 70 G HA3 -0.344 nan 3.960 nan 0.000 0.221 70 G C 0.487 175.401 174.900 0.022 0.000 1.109 70 G CA 2.089 47.210 45.100 0.035 0.000 0.749 70 G HN -0.033 8.291 8.290 0.056 0.000 0.568 71 A N 0.429 123.258 122.820 0.015 0.000 1.942 71 A HA 0.193 nan 4.320 nan 0.000 0.209 71 A C 1.984 179.570 177.584 0.003 0.000 1.214 71 A CA 1.561 53.604 52.037 0.009 0.000 0.686 71 A CB -0.110 18.895 19.000 0.007 0.000 0.871 71 A HN -0.400 7.590 8.150 0.015 0.169 0.460 72 Q N -1.379 118.419 119.800 -0.002 0.000 2.364 72 Q HA -0.297 nan 4.340 nan 0.000 0.209 72 Q C 2.495 178.491 176.000 -0.006 0.000 0.977 72 Q CA 2.218 58.016 55.803 -0.008 0.000 0.885 72 Q CB -0.578 28.151 28.738 -0.016 0.000 0.941 72 Q HN 0.253 8.522 8.270 -0.003 0.000 0.464 73 M N -0.618 118.982 119.600 0.000 0.000 2.115 73 M HA -0.247 nan 4.480 nan 0.000 0.261 73 M C 1.547 177.851 176.300 0.006 0.000 1.079 73 M CA 4.339 59.642 55.300 0.005 0.000 1.143 73 M CB 0.103 32.710 32.600 0.012 0.000 1.332 73 M HN -0.423 7.817 8.290 0.004 0.053 0.421 74 V N -1.386 118.533 119.914 0.010 0.000 2.688 74 V HA -0.448 nan 4.120 nan 0.000 0.256 74 V C 2.342 178.436 176.094 0.000 0.000 1.084 74 V CA 3.814 66.121 62.300 0.012 0.000 1.103 74 V CB -1.586 30.246 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 -2.164 118.232 120.400 -0.007 0.000 2.137 75 K HA -0.168 nan 4.320 nan 0.000 0.202 75 K C 1.487 178.068 176.600 -0.032 0.000 1.052 75 K CA 2.881 59.158 56.287 -0.017 0.000 0.961 75 K CB -0.244 32.248 32.500 -0.013 0.000 0.741 75 K HN -0.418 7.694 8.250 -0.004 0.137 0.452 76 E N -1.003 119.179 120.200 -0.030 0.000 2.158 76 E HA -0.102 nan 4.350 nan 0.000 0.191 76 E C 1.735 178.288 176.600 -0.077 0.000 0.982 76 E CA 2.539 58.912 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 -0.992 118.886 119.914 -0.061 0.000 2.302 77 V HA -0.214 nan 4.120 nan 0.000 0.243 77 V C 2.253 178.232 176.094 -0.193 0.000 1.036 77 V CA 3.972 66.219 62.300 -0.090 0.000 1.020 77 V CB -0.319 31.524 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 -1.536 121.234 122.820 -0.084 0.000 2.178 78 A HA -0.288 nan 4.320 nan 0.000 0.218 78 A C 1.323 178.824 177.584 -0.138 0.000 1.157 78 A CA 2.830 54.823 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 -3.321 112.283 115.700 -0.161 0.000 2.387 79 S HA -0.266 nan 4.470 nan 0.000 0.226 79 S C 1.765 176.234 174.600 -0.219 0.000 1.026 79 S CA 2.935 61.050 58.200 -0.143 0.000 0.972 79 S CB -0.238 62.899 63.200 -0.104 0.000 0.814 79 S HN -0.369 7.674 8.310 -0.147 0.178 0.477 80 K N 0.666 120.826 120.400 -0.399 0.000 2.515 80 K HA -0.179 nan 4.320 nan 0.000 0.196 80 K C 1.471 177.704 176.600 -0.611 0.000 1.038 80 K CA 1.676 57.618 56.287 -0.575 0.000 0.967 80 K CB -0.468 31.517 32.500 -0.859 0.000 0.780 80 K HN -0.277 7.583 8.250 -0.415 0.141 0.483 81 A N -0.150 122.414 122.820 -0.428 0.000 1.823 81 A HA -0.227 nan 4.320 nan 0.000 0.214 81 A C 1.125 178.699 177.584 -0.018 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 7.105 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 2.564 178.045 175.510 -0.048 0.000 1.034 82 N CA 3.132 56.162 53.050 -0.034 0.000 0.861 82 N CB -0.226 38.235 38.487 -0.044 0.000 1.039 82 N HN -0.121 8.224 8.380 -0.059 0.000 0.427 83 D N 0.065 120.420 120.400 -0.075 0.000 2.191 83 D HA -0.285 nan 4.640 nan 0.000 0.195 83 D C 0.763 177.037 176.300 -0.042 0.000 1.003 83 D CA 2.985 56.942 54.000 -0.073 0.000 0.867 83 D CB -0.203 40.543 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 -3.317 119.500 122.820 -0.004 0.000 1.993 84 A HA 0.126 nan 4.320 nan 0.000 0.207 84 A C 0.279 177.890 177.584 0.045 0.000 1.224 84 A CA 1.592 53.654 52.037 0.041 0.000 0.749 84 A CB 0.844 19.914 19.000 0.116 0.000 0.884 84 A HN -0.428 7.597 8.150 -0.011 0.119 0.467 85 A N -4.606 118.246 122.820 0.053 0.000 2.014 85 A HA 0.116 nan 4.320 nan 0.000 0.210 85 A C 0.543 178.143 177.584 0.027 0.000 1.188 85 A CA 0.941 53.008 52.037 0.050 0.000 0.731 85 A CB 0.918 19.961 19.000 0.072 0.000 0.858 85 A HN 0.325 8.509 8.150 0.056 0.000 0.464 86 G N -3.135 105.668 108.800 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 -1.676 173.224 174.900 -0.000 0.000 1.015 86 G CA 0.276 45.368 45.100 -0.014 0.000 0.635 86 G HN 0.168 8.346 8.290 0.004 0.115 0.499 87 D N -0.766 119.645 120.400 0.018 0.000 2.714 87 D HA 0.277 nan 4.640 nan 0.000 0.278 87 D C -0.590 175.728 176.300 0.030 0.000 1.102 87 D CA -1.860 52.153 54.000 0.021 0.000 1.108 87 D CB 2.026 42.843 40.800 0.029 0.000 1.444 87 D HN -0.630 7.668 8.370 0.027 0.089 0.568 88 G N -2.478 106.341 108.800 0.030 0.000 2.253 88 G HA2 -0.328 nan 3.960 nan 0.000 0.209 88 G HA3 -0.328 nan 3.960 nan 0.000 0.209 88 G C 0.815 175.735 174.900 0.034 0.000 0.997 88 G CA 0.695 45.821 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 4.036 118.597 114.554 0.012 0.000 2.622 89 T HA -0.373 nan 4.350 nan 0.000 0.266 89 T C 1.687 176.392 174.700 0.010 0.000 1.047 89 T CA 5.316 67.416 62.100 -0.001 0.000 1.159 89 T CB -0.554 68.305 68.868 -0.015 0.000 0.863 89 T HN 0.449 8.693 8.240 0.008 0.000 0.422 90 T N 1.707 116.268 114.554 0.011 0.000 2.684 90 T HA -0.311 nan 4.350 nan 0.000 0.267 90 T C 1.945 176.656 174.700 0.017 0.000 1.036 90 T CA 4.676 66.783 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 3.529 118.096 114.554 0.022 0.000 2.746 91 T HA -0.241 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 4.590 66.706 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 -0.129 8.125 8.240 0.022 0.000 0.444 92 A N 0.827 123.673 122.820 0.043 0.000 1.972 92 A HA -0.227 nan 4.320 nan 0.000 0.219 92 A C 2.020 179.630 177.584 0.043 0.000 1.169 92 A CA 3.169 55.241 52.037 0.059 0.000 0.635 92 A CB -0.839 18.208 19.000 0.079 0.000 0.810 92 A HN 0.483 8.455 8.150 0.040 0.202 0.446 93 T N 1.589 116.160 114.554 0.028 0.000 2.942 93 T HA -0.169 nan 4.350 nan 0.000 0.265 93 T C 2.244 176.956 174.700 0.019 0.000 1.062 93 T CA 4.258 66.370 62.100 0.020 0.000 1.139 93 T CB -0.263 68.613 68.868 0.013 0.000 0.883 93 T HN -0.147 7.986 8.240 0.024 0.121 0.468 94 V N 2.746 122.671 119.914 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 4.391 66.700 62.300 0.014 0.000 1.036 94 V CB -0.886 30.944 31.823 0.012 0.000 0.664 94 V HN 0.015 8.125 8.190 0.020 0.092 0.453 95 L N -1.867 119.369 121.223 0.021 0.000 2.072 95 L HA -0.336 nan 4.340 nan 0.000 0.205 95 L C 1.837 178.722 176.870 0.024 0.000 1.079 95 L CA 3.327 58.180 54.840 0.022 0.000 0.752 95 L CB -0.820 41.255 42.059 0.026 0.000 0.906 95 L HN 0.414 8.659 8.230 0.025 0.000 0.436 96 A N -1.793 121.045 122.820 0.030 0.000 1.933 96 A HA -0.397 nan 4.320 nan 0.000 0.218 96 A C 1.796 179.393 177.584 0.023 0.000 1.175 96 A CA 3.234 55.290 52.037 0.031 0.000 0.628 96 A CB -1.026 17.996 19.000 0.037 0.000 0.814 96 A HN 0.071 8.129 8.150 0.034 0.112 0.444 97 Q N -0.744 119.067 119.800 0.019 0.000 2.079 97 Q HA -0.301 nan 4.340 nan 0.000 0.200 97 Q C 2.057 178.065 176.000 0.012 0.000 0.974 97 Q CA 2.989 58.801 55.803 0.015 0.000 0.840 97 Q CB -0.155 28.590 28.738 0.012 0.000 0.898 97 Q HN -0.371 7.826 8.270 0.020 0.085 0.430 98 A N 0.059 122.886 122.820 0.012 0.000 1.877 98 A HA -0.255 nan 4.320 nan 0.000 0.216 98 A C 2.188 179.778 177.584 0.009 0.000 1.186 98 A CA 3.043 55.085 52.037 0.009 0.000 0.620 98 A CB -0.799 18.205 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 -1.506 119.071 120.570 0.012 0.000 2.202 99 I HA -0.565 nan 4.170 nan 0.000 0.242 99 I C 2.027 178.152 176.117 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 -0.165 8.054 8.210 0.014 0.000 0.410 100 I N -0.643 119.935 120.570 0.015 0.000 2.208 100 I HA -0.634 nan 4.170 nan 0.000 0.245 100 I C 2.030 178.154 176.117 0.011 0.000 1.097 100 I CA 4.742 66.051 61.300 0.015 0.000 1.363 100 I CB -0.500 37.510 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 2.264 116.824 114.554 0.010 0.000 2.643 101 T HA -0.343 nan 4.350 nan 0.000 0.264 101 T C 2.363 177.067 174.700 0.006 0.000 1.045 101 T CA 4.947 67.052 62.100 0.008 0.000 1.155 101 T CB -0.537 68.335 68.868 0.007 0.000 0.863 101 T HN -0.159 8.088 8.240 0.011 0.000 0.420 102 E N -0.585 119.619 120.200 0.006 0.000 2.358 102 E HA -0.076 nan 4.350 nan 0.000 0.195 102 E C 2.553 179.156 176.600 0.006 0.000 1.010 102 E CA 1.565 57.968 56.400 0.005 0.000 0.856 102 E CB -0.569 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 0.026 108.831 108.800 0.007 0.000 2.396 103 G HA2 -0.154 nan 3.960 nan 0.000 0.214 103 G HA3 -0.154 nan 3.960 nan 0.000 0.214 103 G C 1.009 175.914 174.900 0.008 0.000 1.166 103 G CA 1.652 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 0.500 121.728 121.223 0.009 0.000 2.141 104 L HA -0.369 nan 4.340 nan 0.000 0.209 104 L C 1.932 178.806 176.870 0.006 0.000 1.094 104 L CA 2.507 57.352 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 -0.363 nan 4.320 nan 0.000 0.206 105 K C 2.197 178.799 176.600 0.003 0.000 1.048 105 K CA 3.200 59.489 56.287 0.004 0.000 0.933 105 K CB -0.391 32.111 32.500 0.003 0.000 0.721 105 K HN -0.596 7.639 8.250 0.005 0.017 0.447 106 A N -1.017 121.805 122.820 0.004 0.000 1.872 106 A HA -0.082 nan 4.320 nan 0.000 0.214 106 A C 2.103 179.689 177.584 0.005 0.000 1.187 106 A CA 2.660 54.699 52.037 0.004 0.000 0.614 106 A CB -0.622 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 -0.755 119.163 119.914 0.006 0.000 2.278 107 V HA -0.482 nan 4.120 nan 0.000 0.251 107 V C 2.600 178.698 176.094 0.006 0.000 1.062 107 V CA 3.883 66.187 62.300 0.007 0.000 1.038 107 V CB -1.287 30.542 31.823 0.010 0.000 0.646 107 V HN -0.568 7.626 8.190 0.007 0.000 0.447 108 A N -1.176 121.647 122.820 0.005 0.000 2.015 108 A HA -0.171 nan 4.320 nan 0.000 0.219 108 A C 0.708 178.293 177.584 0.002 0.000 1.163 108 A CA 2.666 54.705 52.037 0.003 0.000 0.646 108 A CB -0.643 18.358 19.000 0.002 0.000 0.806 108 A HN -0.157 7.992 8.150 0.005 0.004 0.448 109 A N -3.421 119.400 122.820 0.002 0.000 2.238 109 A HA 0.009 nan 4.320 nan 0.000 0.208 109 A C 0.111 177.696 177.584 0.001 0.000 1.177 109 A CA 0.082 52.119 52.037 0.001 0.000 0.804 109 A CB 0.264 19.265 19.000 0.001 0.000 0.823 109 A HN -0.193 7.801 8.150 0.003 0.158 0.482 110 G N -2.981 105.821 108.800 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 -0.257 44.844 45.100 0.002 0.000 0.632 110 G HN -0.287 7.810 8.290 0.003 0.194 0.503 111 M N 1.056 120.658 119.600 0.003 0.000 2.251 111 M HA -0.285 nan 4.480 nan 0.000 0.343 111 M C 0.007 176.310 176.300 0.005 0.000 1.245 111 M CA 0.890 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 5.279 123.982 118.700 0.005 0.000 2.374 112 N HA -0.034 nan 4.740 nan 0.000 0.269 112 N C -0.914 174.601 175.510 0.008 0.000 1.310 112 N CA -0.265 52.789 53.050 0.006 0.000 0.877 112 N CB 0.433 38.923 38.487 0.005 0.000 1.096 112 N HN 0.105 8.863 8.380 0.004 -0.375 0.484 113 P HA -0.164 nan 4.420 nan 0.000 0.217 113 P C 1.210 178.517 177.300 0.011 0.000 1.150 113 P CA 2.463 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 -3.769 115.838 119.600 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 1.555 56.861 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 8.139 8.290 0.010 -0.132 0.411 115 D N 0.506 120.910 120.400 0.007 0.000 2.194 115 D HA -0.077 nan 4.640 nan 0.000 0.204 115 D C 2.688 178.991 176.300 0.005 0.000 0.964 115 D CA 3.001 57.004 54.000 0.005 0.000 0.846 115 D CB -0.148 40.655 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 1.734 178.608 176.870 0.006 0.000 1.077 116 L CA 3.239 58.083 54.840 0.006 0.000 0.747 116 L CB -0.128 41.936 42.059 0.007 0.000 0.896 116 L HN 0.385 8.438 8.230 0.007 0.182 0.432 117 K N -1.155 119.249 120.400 0.007 0.000 2.103 117 K HA -0.334 nan 4.320 nan 0.000 0.204 117 K C 2.203 178.806 176.600 0.005 0.000 1.052 117 K CA 3.196 59.488 56.287 0.007 0.000 0.945 117 K CB -0.259 32.247 32.500 0.010 0.000 0.722 117 K HN -0.050 8.203 8.250 0.008 0.002 0.443 118 R N -1.193 119.310 120.500 0.005 0.000 2.081 118 R HA -0.294 nan 4.340 nan 0.000 0.235 118 R C 2.586 178.887 176.300 0.002 0.000 1.131 118 R CA 3.296 59.398 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 -0.268 7.921 8.270 0.006 0.085 0.436 119 G N -1.675 107.127 108.800 0.002 0.000 2.394 119 G HA2 -0.188 nan 3.960 nan 0.000 0.215 119 G HA3 -0.188 nan 3.960 nan 0.000 0.215 119 G C 0.953 175.854 174.900 0.001 0.000 1.165 119 G CA 1.576 46.677 45.100 0.002 0.000 0.784 119 G HN -0.231 8.061 8.290 0.003 0.000 0.535 120 I N 1.199 121.770 120.570 0.002 0.000 2.399 120 I HA -0.517 nan 4.170 nan 0.000 0.254 120 I C 0.800 176.916 176.117 -0.002 0.000 1.146 120 I CA 3.331 64.631 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 -0.033 8.179 8.210 0.003 0.000 0.432 121 D N -2.601 117.798 120.400 -0.002 0.000 2.249 121 D HA 0.009 nan 4.640 nan 0.000 0.205 121 D C 1.764 178.059 176.300 -0.008 0.000 0.962 121 D CA 2.543 56.539 54.000 -0.006 0.000 0.860 121 D CB -0.384 40.413 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 0.249 120.646 120.400 -0.005 0.000 2.031 122 K HA -0.143 nan 4.320 nan 0.000 0.205 122 K C 1.745 178.342 176.600 -0.005 0.000 1.049 122 K CA 2.447 58.731 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 -0.641 7.486 8.250 -0.003 0.121 0.438 123 A N -1.860 120.958 122.820 -0.004 0.000 2.131 123 A HA -0.185 nan 4.320 nan 0.000 0.220 123 A C 2.432 180.012 177.584 -0.006 0.000 1.158 123 A CA 2.920 54.955 52.037 -0.003 0.000 0.665 123 A CB -0.804 18.195 19.000 -0.002 0.000 0.795 123 A HN -0.297 7.851 8.150 -0.003 0.000 0.460 124 V N -1.808 118.100 119.914 -0.010 0.000 2.273 124 V HA -0.379 nan 4.120 nan 0.000 0.242 124 V C 2.015 178.098 176.094 -0.018 0.000 1.035 124 V CA 4.610 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 2.254 116.797 114.554 -0.017 0.000 2.760 125 T HA -0.384 nan 4.350 nan 0.000 0.269 125 T C 1.939 176.633 174.700 -0.011 0.000 1.047 125 T CA 4.390 66.480 62.100 -0.016 0.000 1.139 125 T CB -0.547 68.314 68.868 -0.012 0.000 0.855 125 T HN -0.515 7.715 8.240 -0.017 0.000 0.471 126 V N 0.346 120.255 119.914 -0.008 0.000 2.302 126 V HA -0.277 nan 4.120 nan 0.000 0.243 126 V C 1.413 177.505 176.094 -0.004 0.000 1.036 126 V CA 3.897 66.194 62.300 -0.004 0.000 1.020 126 V CB -1.029 30.793 31.823 -0.002 0.000 0.657 126 V HN -0.369 7.794 8.190 -0.008 0.022 0.453 127 A N -0.312 122.505 122.820 -0.005 0.000 1.903 127 A HA -0.425 nan 4.320 nan 0.000 0.219 127 A C 1.881 179.462 177.584 -0.005 0.000 1.191 127 A CA 3.486 55.521 52.037 -0.003 0.000 0.638 127 A CB -1.013 17.984 19.000 -0.005 0.000 0.823 127 A HN -0.295 7.744 8.150 -0.006 0.107 0.451 128 V N -2.109 117.799 119.914 -0.010 0.000 2.332 128 V HA -0.536 nan 4.120 nan 0.000 0.248 128 V C 2.145 178.236 176.094 -0.005 0.000 1.055 128 V CA 4.879 67.172 62.300 -0.011 0.000 1.038 128 V CB -0.905 30.906 31.823 -0.021 0.000 0.651 128 V HN 0.368 8.548 8.190 -0.014 0.002 0.450 129 E N -1.728 118.469 120.200 -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 29.165 29.700 -0.000 0.000 0.743 129 E HN -0.410 7.861 8.360 -0.006 0.086 0.453 130 E N -1.220 118.982 120.200 0.003 0.000 2.015 130 E HA -0.199 nan 4.350 nan 0.000 0.191 130 E C 2.798 179.403 176.600 0.008 0.000 0.991 130 E CA 2.661 59.065 56.400 0.006 0.000 0.802 130 E CB 0.069 29.773 29.700 0.007 0.000 0.759 130 E HN -0.260 8.001 8.360 0.001 0.100 0.447 131 L N -4.509 116.718 121.223 0.007 0.000 2.353 131 L HA -0.207 nan 4.340 nan 0.000 0.220 131 L C 2.092 178.968 176.870 0.010 0.000 1.133 131 L CA 2.967 57.813 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 -1.642 118.762 120.400 0.007 0.000 2.305 132 K HA -0.154 nan 4.320 nan 0.000 0.199 132 K C 1.093 177.698 176.600 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 7.846 8.250 0.005 0.048 0.474 133 A N -1.210 121.616 122.820 0.010 0.000 1.975 133 A HA -0.062 nan 4.320 nan 0.000 0.215 133 A C 1.336 178.929 177.584 0.014 0.000 1.170 133 A CA 1.762 53.806 52.037 0.011 0.000 0.656 133 A CB 0.019 19.026 19.000 0.011 0.000 0.821 133 A HN -0.245 7.746 8.150 0.009 0.164 0.449 134 L N -2.701 118.531 121.223 0.016 0.000 2.376 134 L HA -0.080 nan 4.340 nan 0.000 0.219 134 L C 0.035 176.917 176.870 0.020 0.000 1.133 134 L CA 0.717 55.569 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 -0.418 7.734 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 0.142 58.352 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 6.995 126.920 119.914 0.017 0.000 2.347 136 V HA 0.389 nan 4.120 nan 0.000 0.280 136 V C -1.090 175.013 176.094 0.014 0.000 1.021 136 V CA -3.660 58.649 62.300 0.016 0.000 0.847 136 V CB 0.614 32.447 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 0.076 63.182 63.100 0.011 0.000 0.802 137 P CB 0.734 32.440 31.700 0.010 0.000 1.040 138 C N -1.416 117.890 119.300 0.010 0.000 3.384 138 C HA 0.277 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 -1.371 57.653 59.018 0.009 0.000 1.325 138 C CB -0.465 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 6.201 121.905 115.700 0.007 0.000 2.559 139 S HA 0.073 nan 4.470 nan 0.000 0.212 139 S C -0.554 174.048 174.600 0.004 0.000 0.994 139 S CA 0.140 58.343 58.200 0.005 0.000 0.903 139 S CB 0.255 63.458 63.200 0.005 0.000 0.861 139 S HN -0.030 8.284 8.310 0.007 0.000 0.601 140 D N 1.937 122.339 120.400 0.004 0.000 2.515 140 D HA -0.109 nan 4.640 nan 0.000 0.230 140 D C 1.260 177.561 176.300 0.002 0.000 1.181 140 D CA 0.784 54.785 54.000 0.003 0.000 0.875 140 D CB 0.508 41.310 40.800 0.003 0.000 1.213 140 D HN -0.177 8.195 8.370 0.004 0.000 0.478 141 S N 3.162 118.862 115.700 0.001 0.000 2.374 141 S HA -0.442 nan 4.470 nan 0.000 0.227 141 S C 1.824 176.423 174.600 -0.000 0.000 1.037 141 S CA 3.713 61.912 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 0.544 8.854 8.310 0.001 0.000 0.456 142 K N -0.097 120.303 120.400 0.000 0.000 2.097 142 K HA -0.248 nan 4.320 nan 0.000 0.206 142 K C 1.490 178.091 176.600 0.002 0.000 1.049 142 K CA 2.648 58.936 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 -0.010 8.226 8.250 0.001 0.015 0.442 143 A N 0.294 123.116 122.820 0.003 0.000 1.828 143 A HA -0.224 nan 4.320 nan 0.000 0.215 143 A C 1.915 179.501 177.584 0.003 0.000 1.203 143 A CA 2.855 54.894 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 -0.490 7.806 8.150 0.003 -0.144 0.445 144 I N -1.508 119.064 120.570 0.003 0.000 2.229 144 I HA -0.627 nan 4.170 nan 0.000 0.250 144 I C 2.073 178.189 176.117 -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 37.663 38.000 -0.000 0.000 1.047 144 I HN -0.247 7.964 8.210 0.003 0.000 0.422 145 A N -1.470 121.349 122.820 -0.001 0.000 1.854 145 A HA -0.339 nan 4.320 nan 0.000 0.214 145 A C 1.910 179.493 177.584 -0.001 0.000 1.192 145 A CA 3.207 55.242 52.037 -0.003 0.000 0.611 145 A CB -1.053 17.945 19.000 -0.003 0.000 0.832 145 A HN -0.076 7.969 8.150 -0.001 0.104 0.442 146 Q N -0.991 118.810 119.800 0.001 0.000 2.062 146 Q HA -0.369 nan 4.340 nan 0.000 0.209 146 Q C 2.509 178.511 176.000 0.003 0.000 0.996 146 Q CA 3.522 59.326 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 0.038 8.118 8.270 0.001 0.190 0.415 147 V N -1.984 117.932 119.914 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 3.885 66.188 62.300 0.005 0.000 1.049 147 V CB -0.918 30.909 31.823 0.008 0.000 0.672 147 V HN -0.075 8.118 8.190 0.004 0.000 0.457 148 G N -1.273 107.526 108.800 -0.002 0.000 2.433 148 G HA2 -0.375 nan 3.960 nan 0.000 0.216 148 G HA3 -0.375 nan 3.960 nan 0.000 0.216 148 G C 0.842 175.737 174.900 -0.008 0.000 1.186 148 G CA 2.546 47.641 45.100 -0.008 0.000 0.779 148 G HN 0.235 8.336 8.290 -0.002 0.188 0.543 149 T N 1.816 116.367 114.554 -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 65.573 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 -0.194 8.044 8.240 -0.005 0.000 0.424 150 I N 1.354 121.923 120.570 -0.001 0.000 2.113 150 I HA -0.644 nan 4.170 nan 0.000 0.242 150 I C 2.239 178.357 176.117 0.002 0.000 1.064 150 I CA 3.680 64.981 61.300 0.001 0.000 1.320 150 I CB -0.576 37.426 38.000 0.004 0.000 1.028 150 I HN -0.644 7.566 8.210 -0.000 0.000 0.406 151 S N -0.447 115.255 115.700 0.002 0.000 2.442 151 S HA -0.271 nan 4.470 nan 0.000 0.236 151 S C 0.181 174.781 174.600 -0.000 0.000 1.007 151 S CA 2.427 60.630 58.200 0.004 0.000 0.965 151 S CB -0.149 63.054 63.200 0.006 0.000 0.773 151 S HN -0.436 7.876 8.310 0.002 0.000 0.504 152 A N -1.482 121.335 122.820 -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 -0.440 51.592 52.037 -0.008 0.000 0.875 152 A CB -0.476 18.517 19.000 -0.012 0.000 0.925 152 A HN -0.415 7.574 8.150 -0.005 0.157 0.493 153 N N -3.142 115.557 118.700 -0.002 0.000 2.741 153 N HA -0.382 nan 4.740 nan 0.000 0.251 153 N C -0.632 174.877 175.510 -0.003 0.000 1.112 153 N CA 1.092 54.142 53.050 -0.001 0.000 0.750 153 N CB -1.119 37.367 38.487 -0.001 0.000 1.119 153 N HN -0.059 8.100 8.380 -0.000 0.221 0.561 154 S N -4.910 110.789 115.700 -0.003 0.000 4.035 154 S HA -0.339 nan 4.470 nan 0.000 0.339 154 S C -1.606 172.991 174.600 -0.005 0.000 1.040 154 S CA 0.865 59.063 58.200 -0.004 0.000 0.972 154 S CB -0.623 62.575 63.200 -0.003 0.000 0.855 154 S HN 0.221 8.398 8.310 -0.003 0.132 0.496 155 D N 0.840 121.236 120.400 -0.006 0.000 2.500 155 D HA 0.205 nan 4.640 nan 0.000 0.219 155 D C 0.486 176.782 176.300 -0.007 0.000 1.137 155 D CA -2.251 51.745 54.000 -0.007 0.000 0.946 155 D CB 0.099 40.894 40.800 -0.008 0.000 1.022 155 D HN -0.722 7.644 8.370 -0.006 0.000 0.518 156 E N 3.910 124.106 120.200 -0.006 0.000 2.233 156 E HA -0.502 nan 4.350 nan 0.000 0.210 156 E C 1.761 178.357 176.600 -0.007 0.000 1.046 156 E CA 2.739 59.136 56.400 -0.006 0.000 0.844 156 E CB -0.742 28.955 29.700 -0.005 0.000 0.741 156 E HN 0.010 8.367 8.360 -0.005 0.000 0.465 157 T N 2.102 116.651 114.554 -0.008 0.000 2.555 157 T HA -0.342 nan 4.350 nan 0.000 0.264 157 T C 1.975 176.668 174.700 -0.012 0.000 1.083 157 T CA 3.322 65.417 62.100 -0.009 0.000 1.179 157 T CB -0.676 68.186 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 1.809 121.715 119.914 -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 30.557 31.823 -0.021 0.000 0.649 158 V HN -0.293 8.039 8.190 -0.013 -0.149 0.447 159 G N -2.720 106.071 108.800 -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 2.393 47.485 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 1.154 121.548 120.400 -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 2.664 58.946 56.287 -0.010 0.000 0.933 160 K CB -0.380 32.115 32.500 -0.008 0.000 0.728 160 K HN -0.410 7.837 8.250 -0.010 -0.003 0.454 161 L N -0.822 120.392 121.223 -0.015 0.000 2.068 161 L HA -0.286 nan 4.340 nan 0.000 0.204 161 L C 1.685 178.543 176.870 -0.020 0.000 1.076 161 L CA 2.885 57.714 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 -0.938 119.619 120.570 -0.022 0.000 2.361 162 I HA -0.461 nan 4.170 nan 0.000 0.251 162 I C 2.184 178.292 176.117 -0.015 0.000 1.133 162 I CA 1.713 62.999 61.300 -0.023 0.000 1.413 162 I CB -1.892 36.092 38.000 -0.026 0.000 1.073 162 I HN -0.125 8.072 8.210 -0.023 0.000 0.424 163 A N -1.153 121.660 122.820 -0.012 0.000 1.968 163 A HA -0.244 nan 4.320 nan 0.000 0.217 163 A C 1.963 179.542 177.584 -0.008 0.000 1.169 163 A CA 3.450 55.482 52.037 -0.008 0.000 0.638 163 A CB -0.736 18.260 19.000 -0.006 0.000 0.812 163 A HN 0.098 8.219 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 2.262 178.857 176.600 -0.009 0.000 0.979 164 E CA 2.606 59.001 56.400 -0.008 0.000 0.803 164 E CB -0.165 29.529 29.700 -0.009 0.000 0.761 164 E HN -0.717 7.533 8.360 -0.011 0.103 0.451 165 A N 0.104 122.917 122.820 -0.012 0.000 1.849 165 A HA -0.309 nan 4.320 nan 0.000 0.217 165 A C 1.883 179.462 177.584 -0.008 0.000 1.202 165 A CA 3.191 55.221 52.037 -0.012 0.000 0.629 165 A CB -0.781 18.209 19.000 -0.018 0.000 0.834 165 A HN 0.543 8.684 8.150 -0.014 0.000 0.447 166 M N -2.820 116.775 119.600 -0.008 0.000 2.195 166 M HA -0.421 nan 4.480 nan 0.000 0.260 166 M C 1.570 177.868 176.300 -0.003 0.000 1.066 166 M CA 3.586 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 -0.301 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 2.906 179.205 176.300 -0.003 0.000 0.964 167 D CA 2.902 56.900 54.000 -0.003 0.000 0.847 167 D CB 0.112 40.910 40.800 -0.004 0.000 0.988 167 D HN -0.409 7.736 8.370 -0.005 0.222 0.480 168 K N -0.391 120.006 120.400 -0.004 0.000 2.160 168 K HA -0.227 nan 4.320 nan 0.000 0.206 168 K C 0.818 177.416 176.600 -0.003 0.000 1.047 168 K CA 2.428 58.712 56.287 -0.004 0.000 0.930 168 K CB 0.603 33.099 32.500 -0.005 0.000 0.720 168 K HN 0.026 8.154 8.250 -0.005 0.120 0.450 169 V N -3.205 116.708 119.914 -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 -1.303 60.996 62.300 -0.001 0.000 1.409 169 V CB 0.245 32.068 31.823 -0.001 0.000 1.218 169 V HN -0.512 7.653 8.190 -0.003 0.024 0.595 170 G N -0.339 108.461 108.800 -0.000 0.000 2.733 170 G HA2 -0.262 nan 3.960 nan 0.000 0.686 170 G HA3 -0.262 nan 3.960 nan 0.000 0.686 170 G C -0.777 174.125 174.900 0.003 0.000 1.373 170 G CA -0.413 44.688 45.100 0.001 0.000 0.838 170 G HN -0.719 7.571 8.290 -0.001 0.000 0.588 171 K N 0.391 120.793 120.400 0.004 0.000 2.147 171 K HA -0.257 nan 4.320 nan 0.000 0.205 171 K C 0.287 176.893 176.600 0.009 0.000 1.049 171 K CA 2.320 58.611 56.287 0.006 0.000 0.936 171 K CB 0.051 32.555 32.500 0.006 0.000 0.722 171 K HN 0.317 8.569 8.250 0.003 0.000 0.446 172 E N -2.450 117.756 120.200 0.009 0.000 2.663 172 E HA 0.152 nan 4.350 nan 0.000 0.240 172 E C -0.681 175.926 176.600 0.012 0.000 1.227 172 E CA -1.218 55.190 56.400 0.012 0.000 1.528 172 E CB -1.366 28.340 29.700 0.011 0.000 1.472 172 E HN -0.228 8.115 8.360 0.007 0.020 0.433 173 G N -1.497 107.310 108.800 0.011 0.000 2.597 173 G HA2 0.214 nan 3.960 nan 0.000 0.317 173 G HA3 0.214 nan 3.960 nan 0.000 0.317 173 G C -1.837 173.070 174.900 0.013 0.000 1.230 173 G CA -1.184 43.923 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 1.844 121.766 119.914 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 -1.516 60.791 62.300 0.011 0.000 1.131 174 V CB -0.816 31.014 31.823 0.012 0.000 1.298 174 V HN 0.424 8.621 8.190 0.011 0.000 0.498 175 I N 8.556 129.128 120.570 0.004 0.000 2.532 175 I HA 0.386 nan 4.170 nan 0.000 0.292 175 I C -0.421 175.692 176.117 -0.007 0.000 1.014 175 I CA -0.097 61.199 61.300 -0.006 0.000 1.340 175 I CB 0.815 38.807 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 6.079 120.624 114.554 -0.014 0.000 2.907 176 T HA 0.360 nan 4.350 nan 0.000 0.292 176 T C -1.090 173.595 174.700 -0.026 0.000 1.043 176 T CA -1.033 61.058 62.100 -0.014 0.000 1.003 176 T CB 2.527 71.388 68.868 -0.010 0.000 1.084 176 T HN 0.214 8.444 8.240 -0.016 0.000 0.483 177 V N -0.415 119.483 119.914 -0.027 0.000 2.204 177 V HA 0.504 nan 4.120 nan 0.000 0.264 177 V C -0.932 175.150 176.094 -0.020 0.000 1.106 177 V CA -2.670 59.609 62.300 -0.034 0.000 0.947 177 V CB -1.392 30.397 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 5.108 125.299 120.200 -0.016 0.000 2.313 178 E HA 0.046 nan 4.350 nan 0.000 0.276 178 E C -1.001 175.592 176.600 -0.011 0.000 1.031 178 E CA -0.096 56.297 56.400 -0.011 0.000 0.857 178 E CB 1.673 31.368 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 2.763 123.158 120.400 -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 0.567 54.563 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 -1.177 107.619 108.800 -0.007 0.000 2.653 180 G HA2 -0.072 nan 3.960 nan 0.000 0.265 180 G HA3 -0.072 nan 3.960 nan 0.000 0.265 180 G C -0.524 174.373 174.900 -0.005 0.000 1.237 180 G CA 0.035 45.131 45.100 -0.006 0.000 0.946 180 G HN 0.186 8.472 8.290 -0.007 0.000 0.522 181 T N -4.383 110.168 114.554 -0.004 0.000 3.105 181 T HA 0.233 nan 4.350 nan 0.000 0.257 181 T C 0.666 175.363 174.700 -0.003 0.000 0.949 181 T CA 0.338 62.436 62.100 -0.004 0.000 0.959 181 T CB 0.753 69.619 68.868 -0.003 0.000 1.205 181 T HN 0.491 8.728 8.240 -0.005 0.000 0.496 182 G N 1.528 110.325 108.800 -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 -0.477 120.744 121.223 -0.004 0.000 2.046 183 L HA 0.096 nan 4.340 nan 0.000 0.203 183 L C 0.430 177.297 176.870 -0.005 0.000 1.111 183 L CA 1.622 56.460 54.840 -0.004 0.000 0.769 183 L CB -0.159 41.897 42.059 -0.004 0.000 0.914 183 L HN -0.012 8.215 8.230 -0.004 0.000 0.448 184 Q N -1.025 118.772 119.800 -0.005 0.000 2.075 184 Q HA -0.301 nan 4.340 nan 0.000 0.464 184 Q C -0.313 175.683 176.000 -0.006 0.000 0.954 184 Q CA 2.342 58.141 55.803 -0.005 0.000 0.898 184 Q CB 0.127 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 -4.382 116.014 120.400 -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 -0.086 53.909 54.000 -0.008 0.000 1.249 185 D CB 1.162 41.956 40.800 -0.009 0.000 4.942 185 D HN -0.117 8.249 8.370 -0.006 0.000 0.685 186 E N 2.748 122.943 120.200 -0.009 0.000 2.235 186 E HA 0.479 nan 4.350 nan 0.000 0.265 186 E C -1.747 174.847 176.600 -0.010 0.000 0.940 186 E CA -2.317 54.078 56.400 -0.008 0.000 0.819 186 E CB 2.838 32.534 29.700 -0.007 0.000 1.206 186 E HN 0.396 8.654 8.360 -0.009 0.097 0.409 187 L N 0.915 122.132 121.223 -0.009 0.000 2.526 187 L HA 0.494 nan 4.340 nan 0.000 0.263 187 L C -2.173 174.692 176.870 -0.008 0.000 0.943 187 L CA -0.521 54.313 54.840 -0.010 0.000 0.859 187 L CB 3.024 45.077 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 4.104 124.499 120.400 -0.008 0.000 2.878 188 D HA 0.033 nan 4.640 nan 0.000 0.211 188 D C -2.138 174.158 176.300 -0.006 0.000 1.271 188 D CA -0.666 53.330 54.000 -0.007 0.000 0.845 188 D CB 2.586 43.382 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 2.289 122.200 119.914 -0.006 0.000 2.405 189 V HA 0.171 nan 4.120 nan 0.000 0.264 189 V C -0.638 175.453 176.094 -0.005 0.000 1.048 189 V CA 0.029 62.326 62.300 -0.005 0.000 0.966 189 V CB -0.640 31.181 31.823 -0.004 0.000 1.015 189 V HN 0.095 8.282 8.190 -0.005 0.000 0.477 190 V N 7.671 127.582 119.914 -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 -2.619 59.679 62.300 -0.004 0.000 0.956 190 V CB 4.705 36.525 31.823 -0.005 0.000 1.023 190 V HN -0.232 7.956 8.190 -0.004 0.000 0.435 191 E N 5.293 125.491 120.200 -0.004 0.000 2.585 191 E HA -0.179 nan 4.350 nan 0.000 0.252 191 E C -0.947 175.653 176.600 0.001 0.000 0.981 191 E CA 1.271 57.669 56.400 -0.003 0.000 0.943 191 E CB 0.341 30.038 29.700 -0.007 0.000 0.923 191 E HN 0.396 8.752 8.360 -0.005 0.000 0.486 192 G N 2.343 111.148 108.800 0.007 0.000 2.495 192 G HA2 0.407 nan 3.960 nan 0.000 0.294 192 G HA3 0.407 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 -0.478 119.154 119.600 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 2.699 35.390 32.600 0.151 0.000 1.287 193 M HN 0.153 8.469 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 1.040 56.876 55.803 0.054 0.000 0.292 194 Q CB -0.704 28.043 28.738 0.014 0.000 0.586 194 Q HN -0.610 7.787 8.270 0.109 -0.062 0.322 195 F N 1.319 121.263 119.950 -0.010 0.000 2.741 195 F HA 0.400 nan 4.527 nan 0.000 0.313 195 F C -1.634 174.162 175.800 -0.005 0.000 1.153 195 F CA -1.794 56.202 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 -0.422 0.000 0.460 196 D N 0.577 121.129 120.400 0.253 0.000 2.941 196 D HA -0.114 nan 4.640 nan 0.000 0.236 196 D C -0.992 175.411 176.300 0.172 0.000 1.147 196 D CA 1.271 55.355 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 8.717 8.370 0.294 0.000 0.444 197 R N -0.201 120.373 120.500 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 -2.027 54.164 56.100 0.152 0.000 0.882 197 R CB 1.398 31.930 30.300 0.386 0.000 1.164 197 R HN -0.522 7.644 8.270 -0.063 0.066 0.489 198 G N 1.661 110.500 108.800 0.065 0.000 2.569 198 G HA2 -0.163 nan 3.960 nan 0.000 0.249 198 G HA3 -0.163 nan 3.960 nan 0.000 0.249 198 G C -0.672 174.374 174.900 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 -1.594 118.762 120.300 0.095 0.000 2.702 199 Y HA -0.151 nan 4.550 nan 0.000 0.336 199 Y C 0.146 176.239 175.900 0.321 0.000 1.235 199 Y CA -2.250 55.983 58.100 0.222 0.000 1.492 199 Y CB -0.462 38.171 38.460 0.288 0.000 1.308 199 Y HN -0.753 7.410 8.280 -0.005 0.114 0.589 200 L N 1.080 122.680 121.223 0.628 0.000 2.191 200 L HA -0.123 nan 4.340 nan 0.000 0.212 200 L C 0.135 176.958 176.870 -0.080 0.000 1.103 200 L CA 1.329 56.342 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 0.099 8.794 8.230 0.774 0.000 0.438 201 S N -5.368 110.107 115.700 -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 -3.205 54.595 58.200 -0.668 0.000 0.930 201 S CB 1.872 64.512 63.200 -0.933 0.000 1.070 201 S HN -0.696 7.588 8.310 0.005 0.029 0.480 202 P HA -0.167 nan 4.420 nan 0.000 0.215 202 P C 0.879 178.027 177.300 -0.253 0.000 1.157 202 P CA 2.052 64.766 63.100 -0.644 0.000 0.863 202 P CB -0.024 31.489 31.700 -0.311 0.000 0.787 203 Y N -4.952 115.168 120.300 -0.300 0.000 2.446 203 Y HA -0.213 nan 4.550 nan 0.000 0.287 203 Y C 1.208 177.090 175.900 -0.030 0.000 1.159 203 Y CA 0.481 58.491 58.100 -0.150 0.000 1.297 203 Y CB -1.355 37.003 38.460 -0.171 0.000 0.974 203 Y HN 0.093 8.230 8.280 -0.239 0.000 0.557 204 F N -1.709 118.225 119.950 -0.026 0.000 2.373 204 F HA -0.235 nan 4.527 nan 0.000 0.300 204 F C 0.899 176.793 175.800 0.157 0.000 1.080 204 F CA 1.207 59.237 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 -0.317 120.475 120.570 0.370 0.000 2.978 205 I HA -0.374 nan 4.170 nan 0.000 0.293 205 I C -0.583 175.645 176.117 0.184 0.000 1.218 205 I CA 0.371 61.851 61.300 0.300 0.000 1.393 205 I CB -1.200 36.945 38.000 0.242 0.000 1.394 205 I HN -0.420 7.797 8.210 0.284 0.164 0.541 206 N N 8.968 127.755 118.700 0.146 0.000 0.000 206 N HA 0.044 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 0.000 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 5.501 4.420 0.000 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 5.380 4.350 0.000 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 0.000 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 0.752 109.580 108.800 0.046 0.000 0.000 211 G HA2 0.020 3.980 3.960 0.000 0.000 0.000 211 G HA3 0.020 3.980 3.960 0.000 0.000 0.000 211 G C -2.696 172.194 174.900 -0.016 0.000 0.000 211 G CA 1.146 46.282 45.100 0.059 0.000 0.000 211 G HN 0.378 8.704 8.290 0.059 0.000 0.000 212 A N -0.786 122.036 122.820 0.004 0.000 2.427 212 A HA 0.511 nan 4.320 nan 0.000 0.298 212 A C -0.254 177.337 177.584 0.011 0.000 1.036 212 A CA -0.487 51.522 52.037 -0.047 0.000 0.701 212 A CB 2.521 21.487 19.000 -0.057 0.000 1.250 212 A HN -0.702 7.471 8.150 0.039 0.000 0.412 213 V N -1.581 118.338 119.914 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 -1.432 60.890 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 0.293 8.454 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 -0.463 176.130 176.600 -0.012 0.000 1.226 214 E CA 0.878 57.266 56.400 -0.019 0.000 0.950 214 E CB -1.539 28.154 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 4.384 125.596 121.223 -0.019 0.000 2.375 215 L HA 0.162 nan 4.340 nan 0.000 0.271 215 L C -0.100 176.768 176.870 -0.003 0.000 1.107 215 L CA -0.744 54.090 54.840 -0.011 0.000 0.806 215 L CB 1.361 43.409 42.059 -0.018 0.000 1.146 215 L HN -0.415 7.797 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 -0.895 175.719 176.600 0.023 0.000 1.008 216 E CA -0.939 55.467 56.400 0.010 0.000 0.856 216 E CB 1.575 31.280 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 1.449 117.169 115.700 0.034 0.000 4.285 217 S HA -0.320 nan 4.470 nan 0.000 0.181 217 S C -1.829 172.831 174.600 0.099 0.000 0.439 217 S CA 1.028 59.266 58.200 0.063 0.000 1.314 217 S CB -0.874 62.364 63.200 0.063 0.000 1.972 217 S HN -0.157 8.168 8.310 0.025 0.000 0.313 218 P HA 0.550 nan 4.420 nan 0.000 0.332 218 P C -2.056 175.475 177.300 0.384 0.000 1.256 218 P CA -1.464 61.741 63.100 0.175 0.000 0.819 218 P CB 2.007 33.759 31.700 0.088 0.000 1.377 219 F N -2.242 117.704 119.950 -0.007 0.000 2.612 219 F HA 0.203 nan 4.527 nan 0.000 0.332 219 F C -1.762 174.038 175.800 0.001 0.000 1.167 219 F CA -1.436 56.563 58.000 -0.001 0.000 0.970 219 F CB 2.675 41.676 39.000 0.001 0.000 1.234 219 F HN -0.103 8.369 8.300 0.288 0.000 0.453 220 I N 3.477 124.106 120.570 0.097 0.000 2.337 220 I HA 0.208 nan 4.170 nan 0.000 0.291 220 I C -1.244 174.914 176.117 0.070 0.000 1.046 220 I CA -1.975 59.369 61.300 0.073 0.000 1.324 220 I CB -0.822 37.204 38.000 0.043 0.000 1.409 220 I HN -0.076 8.034 8.210 0.007 0.104 0.494 221 L N 8.814 130.087 121.223 0.083 0.000 2.307 221 L HA 0.473 nan 4.340 nan 0.000 0.282 221 L C -2.584 174.322 176.870 0.059 0.000 1.051 221 L CA -1.324 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 0.642 8.805 8.230 0.085 0.118 0.431 222 L N 5.426 126.677 121.223 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 -1.022 53.842 54.840 0.039 0.000 0.818 222 L CB 2.282 44.356 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 2.007 124.850 122.820 0.038 0.000 2.359 223 A HA 0.434 nan 4.320 nan 0.000 0.303 223 A C -2.224 175.380 177.584 0.032 0.000 1.066 223 A CA -1.429 50.629 52.037 0.035 0.000 0.730 223 A CB 2.936 21.961 19.000 0.042 0.000 1.211 223 A HN 0.313 8.488 8.150 0.043 0.000 0.439 224 D N 2.933 123.349 120.400 0.026 0.000 0.000 224 D HA 0.257 nan 4.640 nan 0.000 0.000 224 D C 0.392 176.710 176.300 0.029 0.000 0.000 224 D CA 0.313 54.328 54.000 0.025 0.000 0.000 224 D CB 1.762 42.573 40.800 0.019 0.000 0.000 224 D HN 0.196 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 5.017 4.320 0.000 0.000 0.000 225 K C -0.832 nan 176.600 nan 0.000 0.000 225 K CA -0.051 56.257 56.287 0.034 0.000 0.000 225 K CB 0.076 nan 32.500 nan 0.000 0.000 225 K HN 0.664 nan 8.250 nan 0.000 0.000 226 K N -1.860 nan 120.400 nan 0.000 0.000 226 K HA 1.123 5.443 4.320 0.000 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 5.156 4.170 0.000 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 0.000 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 5.833 4.740 0.000 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 0.000 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 0.000 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 0.000 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 0.000 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 5.539 4.340 0.000 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 5.665 4.420 0.000 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 5.265 4.120 0.000 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 0.000 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 5.531 4.350 0.000 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 0.000 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 0.000 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 5.643 4.320 0.000 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 0.000 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 5.288 4.320 0.000 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 0.000 0.000 0.000 244 G HA3 0.931 4.891 3.960 0.000 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 5.444 4.320 0.000 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 5.388 4.420 0.000 0.000 0.000 246 P C -2.375 nan 177.300 nan 0.000 0.000 246 P CA 0.162 63.251 63.100 -0.020 0.000 0.000 246 P CB 0.426 nan 31.700 nan 0.000 0.000 247 L N -0.862 120.354 121.223 -0.012 0.000 0.000 247 L HA 0.436 4.776 4.340 0.000 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 2.599 123.842 121.223 0.033 0.000 2.476 248 L HA 0.429 nan 4.340 nan 0.000 0.269 248 L C -1.970 174.923 176.870 0.038 0.000 0.965 248 L CA -0.207 54.643 54.840 0.015 0.000 0.845 248 L CB 3.099 45.180 42.059 0.037 0.000 1.259 248 L HN 0.215 8.485 8.230 0.067 0.000 0.403 249 I N 5.512 126.096 120.570 0.023 0.000 2.433 249 I HA 0.607 nan 4.170 nan 0.000 0.292 249 I C -1.632 174.526 176.117 0.068 0.000 1.001 249 I CA -0.682 60.651 61.300 0.055 0.000 1.119 249 I CB 2.478 40.519 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 7.864 128.484 120.570 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 -1.278 60.087 61.300 0.110 0.000 1.086 250 I CB 1.094 39.175 38.000 0.136 0.000 1.202 250 I HN 0.221 8.475 8.210 0.075 0.000 0.471 251 A N 5.931 128.804 122.820 0.088 0.000 2.552 251 A HA 0.739 nan 4.320 nan 0.000 0.288 251 A C -1.948 175.680 177.584 0.072 0.000 1.193 251 A CA -1.758 50.320 52.037 0.069 0.000 0.713 251 A CB 3.348 22.386 19.000 0.064 0.000 1.305 251 A HN 0.044 8.257 8.150 0.104 0.000 0.424 252 E N -0.069 120.167 120.200 0.060 0.000 2.418 252 E HA -0.257 nan 4.350 nan 0.000 0.261 252 E C -0.669 175.969 176.600 0.063 0.000 1.070 252 E CA 0.085 56.521 56.400 0.060 0.000 0.931 252 E CB 0.913 30.643 29.700 0.050 0.000 0.954 252 E HN -0.103 8.288 8.360 0.052 0.000 0.439 253 D N 2.167 122.604 120.400 0.062 0.000 6.521 253 D HA -0.320 nan 4.640 nan 0.000 0.249 253 D C -0.678 175.654 176.300 0.054 0.000 1.546 253 D CA 0.840 54.874 54.000 0.058 0.000 1.189 253 D CB -0.761 40.064 40.800 0.041 0.000 1.515 253 D HN 0.143 8.549 8.370 0.061 0.000 0.872 254 V N 3.148 123.103 119.914 0.070 0.000 0.000 254 V HA -0.135 nan 4.120 nan 0.000 0.000 254 V C 0.933 177.057 176.094 0.050 0.000 0.000 254 V CA 0.973 63.314 62.300 0.068 0.000 0.000 254 V CB 0.446 32.326 31.823 0.096 0.000 0.000 254 V HN 0.193 8.429 8.190 0.084 0.005 0.000 255 E N -1.006 nan 120.200 nan 0.000 0.000 255 E HA 0.660 5.010 4.350 0.000 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 4.945 3.960 0.000 0.000 0.000 256 G HA3 0.985 4.945 3.960 0.000 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 0.000 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 0.000 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 0.000 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 5.631 4.320 0.000 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 0.000 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 0.000 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 5.184 4.120 0.000 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 5.347 4.120 0.000 0.000 0.000 264 V C -0.480 nan 176.094 nan 0.000 0.000 264 V CA 0.435 62.713 62.300 -0.038 0.000 0.000 264 V CB 0.729 nan 31.823 nan 0.000 0.000 264 V HN 3.088 nan 8.190 nan 0.000 0.000 265 N N -1.712 nan 118.700 nan 0.000 0.000 265 N HA 1.183 5.923 4.740 0.000 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 0.000 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 5.689 4.480 0.000 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 0.000 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 4.927 3.960 0.000 0.000 0.000 269 G HA3 0.967 4.927 3.960 0.000 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 0.000 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 5.399 4.120 0.000 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 0.000 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 0.000 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 0.000 0.000 0.000 274 A C -0.433 nan 177.584 nan 0.000 0.000 274 A CA 0.316 52.014 52.037 -0.565 0.000 0.000 274 A CB 0.376 nan 19.000 nan 0.000 0.000 274 A HN 3.197 nan 8.150 nan 0.000 0.000 275 A N -1.438 nan 122.820 nan 0.000 0.000 275 A HA 0.750 5.070 4.320 0.000 0.000 0.000 275 A C -1.676 nan 177.584 nan 0.000 0.000 275 A CA -0.218 51.721 52.037 -0.163 0.000 0.000 275 A CB 0.758 nan 19.000 nan 0.000 0.000 275 A HN 0.371 nan 8.150 nan 0.000 0.000 276 V N -4.961 115.006 119.914 0.089 0.000 0.000 276 V HA 0.315 4.435 4.120 0.000 0.000 0.000 276 V C -2.004 174.191 176.094 0.169 0.000 0.000 276 V CA 0.087 62.477 62.300 0.150 0.000 0.000 276 V CB 1.818 33.704 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 0.582 121.098 120.400 0.192 0.000 2.238 277 K HA 0.471 nan 4.320 nan 0.000 0.239 277 K C -0.960 175.746 176.600 0.178 0.000 0.987 277 K CA -1.378 55.008 56.287 0.165 0.000 0.857 277 K CB 3.118 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 2.175 125.055 122.820 0.100 0.000 2.425 278 A HA 0.204 nan 4.320 nan 0.000 0.242 278 A C -2.257 175.323 177.584 -0.008 0.000 1.077 278 A CA -1.702 50.344 52.037 0.016 0.000 0.781 278 A CB -0.665 18.336 19.000 0.001 0.000 1.020 278 A HN 0.289 8.379 8.150 0.090 0.114 0.494 279 P HA 0.070 nan 4.420 nan 0.000 0.286 279 P C -0.350 176.913 177.300 -0.062 0.000 1.261 279 P CA 0.054 63.078 63.100 -0.127 0.000 0.821 279 P CB 1.105 32.580 31.700 -0.376 0.000 1.013 280 G N 2.481 111.291 108.800 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 -2.187 172.794 174.900 0.135 0.000 1.289 280 G CA 0.249 45.359 45.100 0.017 0.000 0.920 280 G HN 0.153 8.475 8.290 0.053 0.000 0.571 281 F N -4.379 115.568 119.950 -0.005 0.000 2.831 281 F HA 0.248 nan 4.527 nan 0.000 0.318 281 F C -1.350 174.452 175.800 0.005 0.000 1.174 281 F CA -2.252 55.749 58.000 0.002 0.000 0.918 281 F CB 1.403 40.410 39.000 0.012 0.000 1.364 281 F HN -0.307 7.712 8.300 -0.470 0.000 0.475 282 G N -0.409 108.589 108.800 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 0.234 175.155 174.900 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 8.724 8.290 0.408 0.000 0.560 283 D N 2.141 122.538 120.400 -0.006 0.000 2.265 283 D HA -0.221 nan 4.640 nan 0.000 0.208 283 D C 2.025 178.288 176.300 -0.063 0.000 0.977 283 D CA 3.137 57.122 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 -0.404 120.024 120.500 -0.121 0.000 2.092 284 R HA -0.323 nan 4.340 nan 0.000 0.226 284 R C 1.549 177.781 176.300 -0.113 0.000 1.140 284 R CA 4.196 60.204 56.100 -0.153 0.000 0.910 284 R CB 0.135 30.273 30.300 -0.269 0.000 0.822 284 R HN -0.314 7.811 8.270 -0.155 0.051 0.433 285 R N -1.832 118.615 120.500 -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 0.310 8.481 8.270 -0.094 0.043 0.452 286 K N -0.775 119.605 120.400 -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 59.150 56.287 -0.024 0.000 0.932 286 K CB -0.370 32.124 32.500 -0.010 0.000 0.716 286 K HN -0.736 7.472 8.250 -0.027 0.025 0.439 287 A N -0.936 121.855 122.820 -0.049 0.000 1.865 287 A HA -0.272 nan 4.320 nan 0.000 0.217 287 A C 2.428 179.971 177.584 -0.068 0.000 1.191 287 A CA 2.873 54.879 52.037 -0.053 0.000 0.623 287 A CB -0.739 18.227 19.000 -0.056 0.000 0.826 287 A HN -0.210 7.909 8.150 -0.051 0.000 0.444 288 M N -3.148 116.394 119.600 -0.096 0.000 2.260 288 M HA -0.398 nan 4.480 nan 0.000 0.261 288 M C 2.071 178.299 176.300 -0.119 0.000 1.066 288 M CA 3.862 59.085 55.300 -0.130 0.000 1.082 288 M CB -0.327 32.155 32.600 -0.197 0.000 1.388 288 M HN -0.246 7.985 8.290 -0.100 0.000 0.419 289 L N -2.658 118.511 121.223 -0.089 0.000 2.109 289 L HA -0.315 nan 4.340 nan 0.000 0.207 289 L C 2.120 178.967 176.870 -0.039 0.000 1.086 289 L CA 2.698 57.502 54.840 -0.060 0.000 0.760 289 L CB -0.533 41.505 42.059 -0.035 0.000 0.910 289 L HN -0.536 7.502 8.230 -0.080 0.143 0.437 290 Q N -0.845 118.933 119.800 -0.037 0.000 2.378 290 Q HA -0.243 nan 4.340 nan 0.000 0.205 290 Q C 2.210 178.191 176.000 -0.031 0.000 0.954 290 Q CA 2.776 58.562 55.803 -0.027 0.000 0.901 290 Q CB -0.270 28.454 28.738 -0.023 0.000 0.981 290 Q HN -0.150 7.990 8.270 -0.043 0.104 0.483 291 D N 1.798 122.172 120.400 -0.042 0.000 2.113 291 D HA -0.163 nan 4.640 nan 0.000 0.206 291 D C 2.214 178.495 176.300 -0.031 0.000 0.979 291 D CA 3.303 57.279 54.000 -0.040 0.000 0.862 291 D CB -0.205 40.561 40.800 -0.055 0.000 1.013 291 D HN 0.030 8.214 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 1.626 177.741 176.117 -0.004 0.000 1.096 292 I CA 3.729 65.025 61.300 -0.008 0.000 1.358 292 I CB -0.428 37.569 38.000 -0.004 0.000 1.047 292 I HN 0.145 8.214 8.210 -0.062 0.104 0.422 293 A N -1.349 121.463 122.820 -0.014 0.000 1.841 293 A HA -0.385 nan 4.320 nan 0.000 0.216 293 A C 1.497 179.068 177.584 -0.021 0.000 1.199 293 A CA 3.668 55.696 52.037 -0.015 0.000 0.621 293 A CB -1.022 17.969 19.000 -0.015 0.000 0.835 293 A HN -0.029 7.931 8.150 -0.021 0.178 0.445 294 T N -2.097 112.445 114.554 -0.021 0.000 2.822 294 T HA -0.357 nan 4.350 nan 0.000 0.270 294 T C 1.508 176.195 174.700 -0.022 0.000 1.064 294 T CA 2.947 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 7.788 8.240 -0.021 0.169 0.483 295 L N 0.403 121.616 121.223 -0.017 0.000 1.973 295 L HA -0.121 nan 4.340 nan 0.000 0.208 295 L C 1.248 178.106 176.870 -0.020 0.000 1.073 295 L CA 2.205 57.038 54.840 -0.012 0.000 0.746 295 L CB -0.282 41.778 42.059 0.003 0.000 0.891 295 L HN -0.024 8.065 8.230 -0.015 0.132 0.433 296 T N -2.785 111.756 114.554 -0.022 0.000 3.160 296 T HA -0.046 nan 4.350 nan 0.000 0.257 296 T C 0.902 175.558 174.700 -0.075 0.000 1.147 296 T CA 2.149 64.224 62.100 -0.043 0.000 1.064 296 T CB -0.209 68.640 68.868 -0.032 0.000 0.949 296 T HN 0.318 8.444 8.240 -0.013 0.106 0.526 297 G N -1.449 107.314 108.800 -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 0.046 174.911 174.900 -0.057 0.000 1.005 297 G CA -0.022 45.035 45.100 -0.072 0.000 0.634 297 G HN -0.014 8.074 8.290 -0.043 0.176 0.496 298 G N 0.781 109.551 108.800 -0.049 0.000 2.699 298 G HA2 -0.534 nan 3.960 nan 0.000 0.351 298 G HA3 -0.534 nan 3.960 nan 0.000 0.351 298 G C 0.728 175.612 174.900 -0.027 0.000 1.191 298 G CA 1.451 46.533 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 -3.928 110.614 114.554 -0.019 0.000 12.380 299 T HA -0.403 nan 4.350 nan 0.000 0.415 299 T C 0.623 175.322 174.700 -0.002 0.000 1.471 299 T CA 1.706 63.800 62.100 -0.012 0.000 2.420 299 T CB -0.829 68.031 68.868 -0.013 0.000 2.818 299 T HN 0.249 8.477 8.240 -0.020 0.000 0.798 300 V N 3.867 123.781 119.914 0.001 0.000 2.924 300 V HA -0.053 nan 4.120 nan 0.000 0.305 300 V C -0.259 175.840 176.094 0.009 0.000 1.073 300 V CA 1.617 63.924 62.300 0.011 0.000 1.098 300 V CB 0.604 32.439 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 -4.038 116.540 120.570 0.013 0.000 3.331 301 I HA -0.033 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 -0.267 61.040 61.300 0.011 0.000 0.991 301 I CB -0.806 37.196 38.000 0.004 0.000 3.277 301 I HN 0.077 8.297 8.210 0.017 0.000 0.916 302 S N 0.972 116.685 115.700 0.020 0.000 0.000 302 S HA -0.329 nan 4.470 nan 0.000 0.000 302 S C 0.834 175.447 174.600 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 63.558 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 0.000 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 5.426 4.350 0.000 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 5.097 4.170 0.000 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 0.000 0.000 0.000 306 G HA3 1.061 5.021 3.960 0.000 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 5.638 4.480 0.000 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 0.000 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 0.000 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 5.511 4.350 0.000 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 0.000 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 5.482 4.320 0.000 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 5.345 4.350 0.000 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 5.319 4.340 0.000 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 0.513 nan 42.059 nan 0.000 0.000 314 L HN 1.357 nan 8.230 nan 0.000 0.000 315 E N -1.647 118.585 120.200 0.054 0.000 0.000 315 E HA 0.025 4.375 4.350 0.000 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 30.137 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 0.190 120.642 120.400 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 55.269 54.000 0.060 0.000 1.052 316 D CB -0.799 40.020 40.800 0.031 0.000 0.319 316 D HN 0.176 8.588 8.370 0.070 0.000 0.258 317 L N -2.845 118.400 121.223 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 0.624 55.466 54.840 0.003 0.000 1.259 317 L CB -0.389 41.752 42.059 0.137 0.000 2.049 317 L HN 0.169 8.421 8.230 0.037 0.000 0.852 318 G N -4.979 103.714 108.800 -0.178 0.000 2.600 318 G HA2 0.479 nan 3.960 nan 0.000 0.303 318 G HA3 0.479 nan 3.960 nan 0.000 0.303 318 G C -1.012 173.630 174.900 -0.429 0.000 1.253 318 G CA -0.553 44.409 45.100 -0.230 0.000 0.974 318 G HN -0.482 7.746 8.290 -0.102 0.000 0.483 319 Q N 0.416 119.994 119.800 -0.370 0.000 2.596 319 Q HA 0.011 nan 4.340 nan 0.000 0.190 319 Q C -0.382 175.554 176.000 -0.107 0.000 0.905 319 Q CA -0.427 55.147 55.803 -0.383 0.000 0.846 319 Q CB 1.578 30.105 28.738 -0.350 0.000 1.117 319 Q HN 0.653 8.775 8.270 -0.246 0.000 0.630 320 A N -1.774 121.001 122.820 -0.074 0.000 2.435 320 A HA -0.265 nan 4.320 nan 0.000 0.686 320 A C -0.943 176.643 177.584 0.003 0.000 0.138 320 A CA 0.240 52.263 52.037 -0.024 0.000 0.024 320 A CB -0.173 18.821 19.000 -0.009 0.000 3.974 320 A HN -0.527 7.565 8.150 -0.097 0.000 0.548 321 K N 1.612 122.013 120.400 0.002 0.000 2.031 321 K HA -0.317 nan 4.320 nan 0.000 0.205 321 K C -1.385 175.222 176.600 0.012 0.000 1.049 321 K CA 1.935 58.228 56.287 0.010 0.000 0.939 321 K CB 0.912 33.413 32.500 0.003 0.000 0.717 321 K HN 0.021 8.400 8.250 -0.005 -0.132 0.438 322 R N -6.925 113.577 120.500 0.003 0.000 2.710 322 R HA 0.527 nan 4.340 nan 0.000 0.270 322 R C -2.030 174.261 176.300 -0.015 0.000 1.021 322 R CA -0.894 55.204 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 -0.355 119.543 119.914 -0.026 0.000 2.962 323 V HA 0.481 nan 4.120 nan 0.000 0.313 323 V C -1.278 174.780 176.094 -0.059 0.000 1.099 323 V CA -1.127 61.143 62.300 -0.050 0.000 0.971 323 V CB 3.719 35.511 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 1.411 121.273 119.914 -0.086 0.000 3.070 324 V HA 0.216 nan 4.120 nan 0.000 0.355 324 V C -0.291 175.728 176.094 -0.124 0.000 1.400 324 V CA -0.851 61.399 62.300 -0.083 0.000 1.170 324 V CB -0.107 31.679 31.823 -0.062 0.000 1.169 324 V HN 0.212 8.337 8.190 -0.109 0.000 0.554 325 I N 1.044 121.523 120.570 -0.152 0.000 3.331 325 I HA -0.297 nan 4.170 nan 0.000 0.305 325 I C -0.765 175.179 176.117 -0.289 0.000 1.229 325 I CA 1.518 62.695 61.300 -0.205 0.000 1.406 325 I CB -0.006 37.901 38.000 -0.155 0.000 1.310 325 I HN -0.292 7.837 8.210 -0.136 0.000 0.579 326 N N 1.424 119.850 118.700 -0.456 0.000 3.836 326 N HA 0.088 nan 4.740 nan 0.000 0.229 326 N C -2.079 172.973 175.510 -0.764 0.000 1.375 326 N CA -0.554 52.008 53.050 -0.813 0.000 0.838 326 N CB 1.706 39.926 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 -0.930 118.993 120.400 -0.794 0.000 2.412 327 K HA -0.119 nan 4.320 nan 0.000 0.281 327 K C -0.719 175.804 176.600 -0.127 0.000 1.027 327 K CA 1.523 57.697 56.287 -0.190 0.000 0.989 327 K CB -0.390 32.169 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 -2.348 118.021 120.400 -0.052 0.000 2.074 328 D HA -0.242 nan 4.640 nan 0.000 0.214 328 D C -0.940 175.330 176.300 -0.051 0.000 1.279 328 D CA 2.004 55.984 54.000 -0.033 0.000 1.539 328 D CB -0.734 40.040 40.800 -0.043 0.000 1.415 328 D HN 0.689 9.114 8.370 -0.005 -0.058 0.630 329 T N -3.819 110.663 114.554 -0.120 0.000 2.742 329 T HA 0.430 nan 4.350 nan 0.000 0.282 329 T C -2.120 172.418 174.700 -0.269 0.000 1.025 329 T CA -1.518 60.486 62.100 -0.159 0.000 1.020 329 T CB 3.987 72.775 68.868 -0.134 0.000 1.317 329 T HN -0.679 7.482 8.240 -0.162 -0.018 0.538 330 T N 2.190 116.521 114.554 -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 -0.473 0.000 0.885 330 T CA 0.420 62.234 62.100 -0.477 0.000 0.987 330 T CB 1.435 69.883 68.868 -0.700 0.000 1.150 330 T HN 0.051 8.090 8.240 -0.334 0.000 0.464 331 T N 5.169 119.566 114.554 -0.261 0.000 2.832 331 T HA 0.446 nan 4.350 nan 0.000 0.313 331 T C -0.102 174.539 174.700 -0.099 0.000 1.035 331 T CA -2.458 59.547 62.100 -0.158 0.000 0.950 331 T CB -0.005 68.808 68.868 -0.092 0.000 0.984 331 T HN 0.164 8.274 8.240 -0.216 0.000 0.486 332 I N 7.439 127.973 120.570 -0.060 0.000 2.389 332 I HA -0.063 nan 4.170 nan 0.000 0.295 332 I C 0.277 176.391 176.117 -0.005 0.000 1.117 332 I CA 0.396 61.689 61.300 -0.011 0.000 1.317 332 I CB -0.377 37.650 38.000 0.044 0.000 1.431 332 I HN 0.466 8.713 8.210 -0.058 -0.072 0.521 333 I N 8.079 128.641 120.570 -0.013 0.000 2.439 333 I HA -0.251 nan 4.170 nan 0.000 0.251 333 I C -0.523 175.591 176.117 -0.005 0.000 1.139 333 I CA 2.540 63.834 61.300 -0.010 0.000 1.438 333 I CB 0.423 38.415 38.000 -0.014 0.000 1.085 333 I HN -0.005 8.193 8.210 -0.020 0.000 0.427 334 D N -1.166 119.231 120.400 -0.005 0.000 2.365 334 D HA 0.095 nan 4.640 nan 0.000 0.235 334 D C -0.207 176.086 176.300 -0.011 0.000 1.368 334 D CA -0.825 53.171 54.000 -0.007 0.000 1.001 334 D CB 2.151 42.947 40.800 -0.007 0.000 1.364 334 D HN -0.621 7.747 8.370 -0.005 0.000 0.577 335 G N 2.961 111.755 108.800 -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 -0.105 44.985 45.100 -0.017 0.000 0.901 335 G HN 0.208 8.357 8.290 -0.006 0.137 0.548 336 V N -5.526 114.365 119.914 -0.038 0.000 3.392 336 V HA 0.246 nan 4.120 nan 0.000 0.294 336 V C 0.498 176.566 176.094 -0.042 0.000 1.561 336 V CA -0.495 61.778 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 -0.474 7.693 8.190 -0.040 0.000 0.440 337 G N 1.407 110.185 108.800 -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 -0.644 174.241 174.900 -0.025 0.000 1.288 337 G CA -0.088 44.992 45.100 -0.033 0.000 0.887 337 G HN -0.474 7.796 8.290 -0.034 0.000 0.524 338 E N 4.471 124.657 120.200 -0.023 0.000 2.734 338 E HA -0.338 nan 4.350 nan 0.000 0.235 338 E C 0.789 177.380 176.600 -0.015 0.000 1.107 338 E CA 0.467 56.856 56.400 -0.018 0.000 0.951 338 E CB -0.513 29.177 29.700 -0.016 0.000 0.955 338 E HN 0.047 8.392 8.360 -0.026 0.000 0.515 339 E N 7.515 127.706 120.200 -0.014 0.000 2.240 339 E HA -0.550 nan 4.350 nan 0.000 0.236 339 E C 1.480 178.073 176.600 -0.011 0.000 1.085 339 E CA 3.654 60.047 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 -2.144 120.670 122.820 -0.010 0.000 1.927 340 A HA -0.265 nan 4.320 nan 0.000 0.220 340 A C 2.082 179.660 177.584 -0.011 0.000 1.185 340 A CA 2.813 54.845 52.037 -0.010 0.000 0.639 340 A CB -1.055 17.940 19.000 -0.009 0.000 0.820 340 A HN 0.258 8.402 8.150 -0.010 0.000 0.451 341 A N -1.143 121.669 122.820 -0.012 0.000 1.865 341 A HA -0.297 nan 4.320 nan 0.000 0.217 341 A C 2.142 179.718 177.584 -0.014 0.000 1.191 341 A CA 2.885 54.914 52.037 -0.013 0.000 0.623 341 A CB -0.800 18.191 19.000 -0.015 0.000 0.826 341 A HN 0.181 8.227 8.150 -0.012 0.096 0.444 342 I N -2.503 118.058 120.570 -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 3.407 64.698 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 -0.777 119.017 119.800 -0.011 0.000 2.016 343 Q HA -0.283 nan 4.340 nan 0.000 0.200 343 Q C 2.728 178.722 176.000 -0.011 0.000 0.978 343 Q CA 3.392 59.189 55.803 -0.010 0.000 0.833 343 Q CB -0.252 28.481 28.738 -0.009 0.000 0.895 343 Q HN 0.465 8.538 8.270 -0.011 0.190 0.427 344 G N -1.973 106.820 108.800 -0.011 0.000 2.501 344 G HA2 -0.344 nan 3.960 nan 0.000 0.220 344 G HA3 -0.344 nan 3.960 nan 0.000 0.220 344 G C 1.564 176.456 174.900 -0.012 0.000 1.114 344 G CA 1.615 46.709 45.100 -0.011 0.000 0.757 344 G HN 0.374 8.657 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 1.582 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 -0.024 119.880 119.914 -0.016 0.000 2.231 346 V HA -0.381 nan 4.120 nan 0.000 0.250 346 V C 2.007 178.092 176.094 -0.015 0.000 1.058 346 V CA 3.839 66.129 62.300 -0.016 0.000 1.022 346 V CB -0.994 30.821 31.823 -0.014 0.000 0.640 346 V HN -0.591 7.590 8.190 -0.015 0.000 0.445 347 A N -2.523 120.289 122.820 -0.013 0.000 1.917 347 A HA -0.490 nan 4.320 nan 0.000 0.219 347 A C 1.704 179.281 177.584 -0.011 0.000 1.182 347 A CA 3.473 55.503 52.037 -0.011 0.000 0.633 347 A CB -0.909 18.085 19.000 -0.009 0.000 0.819 347 A HN -0.018 8.124 8.150 -0.012 0.000 0.448 348 Q N -0.559 119.233 119.800 -0.012 0.000 2.061 348 Q HA -0.305 nan 4.340 nan 0.000 0.204 348 Q C 2.473 178.465 176.000 -0.014 0.000 0.984 348 Q CA 3.050 58.846 55.803 -0.012 0.000 0.846 348 Q CB -0.379 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 1.890 177.997 176.117 -0.017 0.000 1.102 349 I CA 3.751 65.039 61.300 -0.020 0.000 1.385 349 I CB -0.398 37.587 38.000 -0.025 0.000 1.064 349 I HN -0.267 7.850 8.210 -0.017 0.082 0.414 350 R N -0.650 119.841 120.500 -0.016 0.000 2.094 350 R HA -0.489 nan 4.340 nan 0.000 0.239 350 R C 2.656 178.949 176.300 -0.010 0.000 1.137 350 R CA 4.239 60.331 56.100 -0.013 0.000 0.943 350 R CB -0.359 29.934 30.300 -0.012 0.000 0.850 350 R HN 0.201 8.279 8.270 -0.016 0.182 0.433 351 Q N -1.550 118.245 119.800 -0.009 0.000 2.030 351 Q HA -0.346 nan 4.340 nan 0.000 0.204 351 Q C 2.927 178.923 176.000 -0.007 0.000 0.986 351 Q CA 2.991 58.790 55.803 -0.007 0.000 0.843 351 Q CB -0.281 28.453 28.738 -0.007 0.000 0.904 351 Q HN 0.243 8.402 8.270 -0.010 0.106 0.420 352 Q N -0.349 119.446 119.800 -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 3.014 58.812 55.803 -0.008 0.000 0.877 352 Q CB -0.223 28.508 28.738 -0.011 0.000 0.920 352 Q HN 0.028 8.133 8.270 -0.010 0.159 0.416 353 I N -1.147 119.418 120.570 -0.008 0.000 2.194 353 I HA -0.531 nan 4.170 nan 0.000 0.246 353 I C 2.326 178.443 176.117 -0.001 0.000 1.093 353 I CA 3.462 64.758 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 0.272 8.468 8.210 -0.011 0.008 0.413 354 E N 1.069 121.267 120.200 -0.002 0.000 2.130 354 E HA -0.278 nan 4.350 nan 0.000 0.196 354 E C 0.904 177.504 176.600 0.001 0.000 0.998 354 E CA 2.904 59.304 56.400 -0.001 0.000 0.806 354 E CB -0.045 29.654 29.700 -0.002 0.000 0.738 354 E HN 0.280 8.529 8.360 -0.004 0.109 0.459 355 E N -4.005 116.195 120.200 0.000 0.000 2.444 355 E HA 0.065 nan 4.350 nan 0.000 0.191 355 E C -0.169 176.433 176.600 0.004 0.000 1.041 355 E CA -1.232 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 -0.242 8.008 8.360 -0.001 0.109 0.470 356 A N 0.959 123.782 122.820 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 -0.433 51.611 52.037 0.012 0.000 1.146 356 A CB -1.769 17.238 19.000 0.012 0.000 0.985 356 A HN -0.027 7.879 8.150 0.004 0.247 0.603 357 T N -3.230 111.332 114.554 0.012 0.000 12.844 357 T HA -0.496 nan 4.350 nan 0.000 0.417 357 T C 0.428 175.137 174.700 0.014 0.000 1.443 357 T CA 2.396 64.503 62.100 0.012 0.000 2.363 357 T CB -1.137 67.738 68.868 0.011 0.000 2.817 357 T HN 0.055 8.183 8.240 0.009 0.117 0.709 358 S N 1.466 117.178 115.700 0.021 0.000 4.150 358 S HA 0.118 nan 4.470 nan 0.000 0.275 358 S C -2.288 172.338 174.600 0.045 0.000 1.004 358 S CA -0.769 57.446 58.200 0.026 0.000 1.234 358 S CB 1.580 64.790 63.200 0.016 0.000 1.818 358 S HN -0.437 7.888 8.310 0.026 0.000 0.499 359 D N 2.519 122.943 120.400 0.040 0.000 7.686 359 D HA -0.275 nan 4.640 nan 0.000 0.091 359 D C 0.469 176.858 176.300 0.148 0.000 1.019 359 D CA 1.388 55.419 54.000 0.051 0.000 0.815 359 D CB -0.330 40.464 40.800 -0.011 0.000 1.611 359 D HN 0.155 8.540 8.370 0.025 0.000 0.915 360 Y N 3.610 123.904 120.300 -0.009 0.000 3.298 360 Y HA -0.653 nan 4.550 nan 0.000 0.479 360 Y C -0.360 175.529 175.900 -0.019 0.000 0.905 360 Y CA 1.996 60.089 58.100 -0.013 0.000 2.986 360 Y CB -1.169 37.284 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 -1.663 118.991 120.400 0.424 0.000 2.411 361 D HA -0.350 nan 4.640 nan 0.000 0.226 361 D C 1.883 178.183 176.300 0.000 0.000 0.988 361 D CA 2.431 56.532 54.000 0.169 0.000 0.938 361 D CB -1.115 39.787 40.800 0.170 0.000 0.883 361 D HN 0.466 8.994 8.370 0.382 0.070 0.525 362 R N -0.352 120.149 120.500 0.002 0.000 2.173 362 R HA -0.114 nan 4.340 nan 0.000 0.208 362 R C 1.434 177.690 176.300 -0.074 0.000 1.035 362 R CA 1.689 57.774 56.100 -0.026 0.000 1.004 362 R CB -0.197 30.101 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 2.122 178.607 176.600 -0.192 0.000 1.007 363 E CA 3.085 59.378 56.400 -0.178 0.000 0.816 363 E CB -0.679 28.852 29.700 -0.281 0.000 0.762 363 E HN 0.266 8.418 8.360 -0.112 0.141 0.451 364 K N -1.948 118.292 120.400 -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 2.775 58.940 56.287 -0.203 0.000 0.936 364 K CB -0.675 31.689 32.500 -0.226 0.000 0.722 364 K HN -0.575 7.436 8.250 -0.398 0.000 0.446 365 L N -3.332 117.830 121.223 -0.102 0.000 2.610 365 L HA -0.191 nan 4.340 nan 0.000 0.232 365 L C 0.222 177.059 176.870 -0.055 0.000 1.149 365 L CA 1.196 55.997 54.840 -0.065 0.000 0.872 365 L CB -0.575 41.458 42.059 -0.044 0.000 0.992 365 L HN -0.528 7.516 8.230 -0.113 0.118 0.447 366 Q N -3.285 116.477 119.800 -0.063 0.000 2.423 366 Q HA -0.027 nan 4.340 nan 0.000 0.231 366 Q C 1.741 177.711 176.000 -0.050 0.000 0.894 366 Q CA 1.418 57.192 55.803 -0.048 0.000 0.938 366 Q CB 1.318 30.029 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 1.211 121.371 120.200 -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 2.499 58.863 56.400 -0.061 0.000 0.823 367 E CB 0.165 29.815 29.700 -0.083 0.000 0.766 367 E HN 0.359 8.478 8.360 -0.086 0.189 0.468 368 R N -1.717 118.744 120.500 -0.065 0.000 2.297 368 R HA -0.006 nan 4.340 nan 0.000 0.197 368 R C 1.681 177.954 176.300 -0.045 0.000 0.943 368 R CA 1.652 57.715 56.100 -0.061 0.000 1.038 368 R CB 0.527 30.780 30.300 -0.077 0.000 0.957 368 R HN -0.015 8.105 8.270 -0.074 0.105 0.484 369 V N -6.360 113.531 119.914 -0.038 0.000 2.992 369 V HA 0.252 nan 4.120 nan 0.000 0.250 369 V C 0.873 176.955 176.094 -0.020 0.000 1.090 369 V CA 1.341 63.625 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 0.378 123.186 122.820 -0.020 0.000 2.019 370 A HA -0.250 nan 4.320 nan 0.000 0.219 370 A C 0.887 178.469 177.584 -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 -4.026 116.372 120.400 -0.004 0.000 2.098 371 K HA -0.129 nan 4.320 nan 0.000 0.203 371 K C 2.187 178.792 176.600 0.009 0.000 1.051 371 K CA 2.345 58.639 56.287 0.011 0.000 0.957 371 K CB -0.074 32.435 32.500 0.015 0.000 0.738 371 K HN -0.306 7.893 8.250 -0.013 0.043 0.447 372 L N -0.617 120.604 121.223 -0.003 0.000 2.007 372 L HA -0.137 nan 4.340 nan 0.000 0.205 372 L C 1.422 178.289 176.870 -0.004 0.000 1.073 372 L CA 2.231 57.069 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 -0.591 7.632 8.230 -0.010 0.000 0.435 373 A N -2.552 120.264 122.820 -0.007 0.000 3.091 373 A HA -0.018 nan 4.320 nan 0.000 0.264 373 A C -0.732 176.849 177.584 -0.004 0.000 1.673 373 A CA 0.355 52.388 52.037 -0.007 0.000 1.362 373 A CB -1.931 17.064 19.000 -0.009 0.000 1.137 373 A HN 0.168 8.218 8.150 -0.010 0.094 0.617 374 G N -0.804 107.996 108.800 -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 0.194 45.294 45.100 0.000 0.000 0.942 374 G HN -0.450 7.782 8.290 -0.001 0.058 0.606 375 G N 1.524 110.327 108.800 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 -1.467 173.436 174.900 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 -1.495 118.421 119.914 0.004 0.000 3.134 376 V HA 0.403 nan 4.120 nan 0.000 0.313 376 V C -0.591 175.502 176.094 -0.001 0.000 1.069 376 V CA -1.042 61.259 62.300 0.002 0.000 1.048 376 V CB 1.397 33.220 31.823 -0.000 0.000 1.119 376 V HN 0.187 8.378 8.190 0.003 0.000 0.461 377 A N 2.380 125.198 122.820 -0.003 0.000 2.646 377 A HA 0.439 nan 4.320 nan 0.000 0.312 377 A C -1.891 175.687 177.584 -0.009 0.000 1.245 377 A CA -1.011 51.023 52.037 -0.006 0.000 0.755 377 A CB 1.193 20.190 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 5.300 125.209 119.914 -0.009 0.000 2.488 378 V HA 0.292 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 0.251 62.545 62.300 -0.011 0.000 0.986 378 V CB 0.709 32.527 31.823 -0.009 0.000 0.989 378 V HN 0.333 8.518 8.190 -0.008 0.000 0.475 379 I N 9.145 129.705 120.570 -0.017 0.000 2.336 379 I HA 0.263 nan 4.170 nan 0.000 0.292 379 I C -1.372 174.734 176.117 -0.018 0.000 0.991 379 I CA -0.782 60.507 61.300 -0.019 0.000 1.227 379 I CB 1.626 39.609 38.000 -0.027 0.000 1.366 379 I HN 0.585 8.678 8.210 -0.019 0.106 0.466 380 K N 7.509 127.900 120.400 -0.015 0.000 2.419 380 K HA 0.413 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 -0.861 31.633 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 0.952 120.857 119.914 -0.015 0.000 3.209 381 V HA 0.003 nan 4.120 nan 0.000 0.305 381 V C -0.702 175.385 176.094 -0.011 0.000 1.127 381 V CA -0.151 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 -0.559 7.621 8.190 -0.017 0.000 0.499 382 G N -1.270 107.524 108.800 -0.011 0.000 2.690 382 G HA2 0.389 nan 3.960 nan 0.000 0.293 382 G HA3 0.389 nan 3.960 nan 0.000 0.293 382 G C -2.671 172.224 174.900 -0.008 0.000 1.399 382 G CA -0.657 44.438 45.100 -0.008 0.000 0.890 382 G HN -0.434 7.936 8.290 -0.012 -0.086 0.485 383 A N -0.779 122.038 122.820 -0.006 0.000 4.989 383 A HA 0.212 nan 4.320 nan 0.000 0.238 383 A C -2.017 175.564 177.584 -0.005 0.000 0.962 383 A CA 0.503 52.537 52.037 -0.005 0.000 0.608 383 A CB 0.387 19.383 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 -1.589 121.229 122.820 -0.004 0.000 2.016 384 A HA 0.113 nan 4.320 nan 0.000 0.202 384 A C 0.003 177.585 177.584 -0.003 0.000 1.632 384 A CA 0.900 52.935 52.037 -0.003 0.000 0.891 384 A CB 0.475 19.473 19.000 -0.003 0.000 1.103 384 A HN 0.312 8.460 8.150 -0.004 0.000 0.547 385 T N 0.206 114.758 114.554 -0.003 0.000 2.909 385 T HA 0.140 nan 4.350 nan 0.000 0.289 385 T C 0.812 175.510 174.700 -0.003 0.000 1.005 385 T CA -0.370 61.728 62.100 -0.003 0.000 1.084 385 T CB 1.162 70.029 68.868 -0.002 0.000 0.975 385 T HN -0.371 7.867 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 1.635 178.233 176.600 -0.002 0.000 0.988 386 E CA 3.129 59.528 56.400 -0.003 0.000 0.804 386 E CB 0.062 29.761 29.700 -0.002 0.000 0.745 386 E HN 0.436 8.794 8.360 -0.003 0.000 0.458 387 V N 0.339 120.252 119.914 -0.002 0.000 2.214 387 V HA -0.325 nan 4.120 nan 0.000 0.247 387 V C 2.161 178.254 176.094 -0.002 0.000 1.051 387 V CA 3.947 66.246 62.300 -0.001 0.000 1.003 387 V CB -0.658 31.164 31.823 -0.001 0.000 0.635 387 V HN -0.018 8.170 8.190 -0.002 0.001 0.447 388 E N -1.275 118.924 120.200 -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 2.932 59.330 56.400 -0.003 0.000 0.810 388 E CB -0.452 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 -0.479 119.119 119.600 -0.004 0.000 2.229 389 M HA -0.234 nan 4.480 nan 0.000 0.264 389 M C 1.820 178.117 176.300 -0.005 0.000 1.063 389 M CA 2.723 58.021 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 0.268 8.308 8.290 -0.003 0.248 0.420 390 K N -0.280 120.118 120.400 -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 2.605 58.891 56.287 -0.002 0.000 0.952 390 K CB -0.588 31.912 32.500 -0.000 0.000 0.729 390 K HN 0.297 8.400 8.250 -0.002 0.146 0.446 391 E N -0.707 119.492 120.200 -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 3.328 59.727 56.400 -0.002 0.000 0.806 391 E CB -0.420 29.280 29.700 -0.001 0.000 0.750 391 E HN -0.518 7.841 8.360 -0.002 0.000 0.458 392 K N -0.227 120.169 120.400 -0.007 0.000 2.026 392 K HA -0.348 nan 4.320 nan 0.000 0.208 392 K C 1.740 178.332 176.600 -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 -1.089 119.303 120.400 -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 3.121 59.399 56.287 -0.015 0.000 0.927 393 K CB -0.183 32.312 32.500 -0.009 0.000 0.713 393 K HN -0.762 7.482 8.250 -0.010 0.000 0.443 394 A N -1.924 120.892 122.820 -0.007 0.000 1.865 394 A HA -0.336 nan 4.320 nan 0.000 0.217 394 A C 2.388 179.968 177.584 -0.006 0.000 1.191 394 A CA 3.191 55.228 52.037 0.001 0.000 0.623 394 A CB -0.819 18.184 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 -2.132 118.362 120.500 -0.010 0.000 2.083 395 R HA -0.409 nan 4.340 nan 0.000 0.237 395 R C 2.374 178.655 176.300 -0.032 0.000 1.137 395 R CA 3.368 59.460 56.100 -0.014 0.000 0.951 395 R CB -0.275 30.018 30.300 -0.012 0.000 0.851 395 R HN -0.056 8.033 8.270 -0.008 0.176 0.434 396 V N 0.021 119.909 119.914 -0.043 0.000 2.223 396 V HA -0.460 nan 4.120 nan 0.000 0.244 396 V C 1.679 177.699 176.094 -0.124 0.000 1.045 396 V CA 4.532 66.791 62.300 -0.068 0.000 1.000 396 V CB -0.924 30.864 31.823 -0.058 0.000 0.635 396 V HN 0.633 8.694 8.190 -0.034 0.109 0.445 397 E N -1.194 118.930 120.200 -0.127 0.000 2.197 397 E HA -0.556 nan 4.350 nan 0.000 0.205 397 E C 2.129 178.508 176.600 -0.369 0.000 1.029 397 E CA 3.493 59.762 56.400 -0.217 0.000 0.828 397 E CB -0.302 29.362 29.700 -0.060 0.000 0.737 397 E HN -0.069 8.243 8.360 -0.079 0.000 0.464 398 D N -1.275 119.053 120.400 -0.120 0.000 2.075 398 D HA -0.230 nan 4.640 nan 0.000 0.196 398 D C 2.037 178.301 176.300 -0.060 0.000 0.985 398 D CA 3.097 57.092 54.000 -0.007 0.000 0.834 398 D CB 0.224 41.036 40.800 0.020 0.000 0.987 398 D HN -0.621 7.692 8.370 -0.070 0.015 0.452 399 A N -0.200 122.578 122.820 -0.069 0.000 1.978 399 A HA -0.234 nan 4.320 nan 0.000 0.220 399 A C 2.155 179.692 177.584 -0.078 0.000 1.170 399 A CA 2.816 54.823 52.037 -0.050 0.000 0.636 399 A CB -0.638 18.338 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 -2.579 118.541 121.223 -0.173 0.000 2.093 400 L HA -0.422 nan 4.340 nan 0.000 0.208 400 L C 1.285 178.086 176.870 -0.115 0.000 1.085 400 L CA 3.439 58.178 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 0.422 8.488 8.230 -0.226 0.028 0.435 401 H N -1.126 117.942 119.070 -0.003 0.000 2.293 401 H HA -0.382 nan 4.556 nan 0.000 0.300 401 H C 1.964 177.293 175.328 0.002 0.000 1.082 401 H CA 3.382 59.429 56.048 -0.002 0.000 1.308 401 H CB -0.326 29.434 29.762 -0.004 0.000 1.375 401 H HN -0.347 7.573 8.280 -0.416 0.111 0.495 402 A N -2.225 120.658 122.820 0.105 0.000 1.917 402 A HA -0.421 nan 4.320 nan 0.000 0.219 402 A C 2.010 179.619 177.584 0.041 0.000 1.182 402 A CA 3.352 55.426 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 7.808 8.150 0.091 0.000 0.448 403 T N 1.184 115.753 114.554 0.025 0.000 2.821 403 T HA -0.273 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 4.569 66.678 62.100 0.016 0.000 1.139 403 T CB -0.552 68.316 68.868 0.001 0.000 0.871 403 T HN -0.248 8.000 8.240 0.013 0.000 0.454 404 R N 1.567 122.088 120.500 0.035 0.000 2.148 404 R HA -0.257 nan 4.340 nan 0.000 0.227 404 R C 1.607 177.930 176.300 0.039 0.000 1.103 404 R CA 2.185 58.308 56.100 0.039 0.000 0.983 404 R CB -0.794 29.541 30.300 0.058 0.000 0.874 404 R HN -0.402 7.893 8.270 0.040 0.000 0.451 405 A N -1.168 121.678 122.820 0.045 0.000 1.826 405 A HA -0.118 nan 4.320 nan 0.000 0.214 405 A C 2.096 179.699 177.584 0.031 0.000 1.212 405 A CA 2.571 54.632 52.037 0.039 0.000 0.605 405 A CB -0.734 18.293 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 -1.374 121.463 122.820 0.028 0.000 1.927 406 A HA -0.367 nan 4.320 nan 0.000 0.220 406 A C 2.164 179.759 177.584 0.019 0.000 1.185 406 A CA 3.096 55.147 52.037 0.022 0.000 0.639 406 A CB -0.691 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 -2.450 117.475 119.914 0.019 0.000 2.380 407 V HA -0.484 nan 4.120 nan 0.000 0.251 407 V C 1.966 178.069 176.094 0.015 0.000 1.063 407 V CA 3.802 66.111 62.300 0.015 0.000 1.055 407 V CB -0.938 30.894 31.823 0.014 0.000 0.657 407 V HN 0.193 8.277 8.190 0.021 0.118 0.455 408 E N -1.304 118.907 120.200 0.018 0.000 2.012 408 E HA -0.144 nan 4.350 nan 0.000 0.192 408 E C 1.725 178.334 176.600 0.015 0.000 0.977 408 E CA 2.142 58.552 56.400 0.017 0.000 0.832 408 E CB 0.147 29.859 29.700 0.019 0.000 0.790 408 E HN -0.323 8.033 8.360 0.021 0.016 0.466 409 E N -1.716 118.494 120.200 0.017 0.000 2.465 409 E HA 0.052 nan 4.350 nan 0.000 0.191 409 E C -0.399 176.210 176.600 0.015 0.000 1.053 409 E CA -0.451 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 -1.445 107.365 108.800 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 -2.660 172.250 174.900 0.017 0.000 1.321 410 G CA -0.318 44.791 45.100 0.015 0.000 0.893 410 G HN -0.136 8.097 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 -0.749 175.357 176.094 0.020 0.000 1.027 411 V CA -1.763 60.548 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 -0.419 7.780 8.190 0.016 0.000 0.428 412 V N 4.274 124.200 119.914 0.020 0.000 2.997 412 V HA 0.708 nan 4.120 nan 0.000 0.311 412 V C -0.983 175.125 176.094 0.023 0.000 1.066 412 V CA -3.571 58.741 62.300 0.021 0.000 1.039 412 V CB 1.889 33.724 31.823 0.020 0.000 1.081 412 V HN -0.094 8.108 8.190 0.020 0.000 0.467 413 A N 0.845 123.680 122.820 0.026 0.000 2.545 413 A HA -0.026 nan 4.320 nan 0.000 0.253 413 A C 0.121 177.718 177.584 0.023 0.000 1.074 413 A CA 0.566 52.620 52.037 0.028 0.000 0.760 413 A CB -0.334 18.687 19.000 0.034 0.000 1.005 413 A HN 0.019 8.311 8.150 0.027 -0.126 0.506 414 G N 0.730 109.543 108.800 0.022 0.000 2.514 414 G HA2 -0.020 nan 3.960 nan 0.000 0.245 414 G HA3 -0.020 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 -1.127 43.985 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 -1.124 107.687 108.800 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 45.515 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 -2.906 105.903 108.800 0.015 0.000 2.136 416 G HA2 -0.383 nan 3.960 nan 0.000 0.242 416 G HA3 -0.383 nan 3.960 nan 0.000 0.242 416 G C 0.434 175.336 174.900 0.004 0.000 0.989 416 G CA 0.180 45.286 45.100 0.009 0.000 0.682 416 G HN 0.002 8.231 8.290 0.016 0.071 0.522 417 V N 0.702 120.620 119.914 0.006 0.000 2.446 417 V HA -0.246 nan 4.120 nan 0.000 0.244 417 V C 1.508 177.605 176.094 0.006 0.000 1.039 417 V CA 3.080 65.380 62.300 -0.001 0.000 1.045 417 V CB -0.556 31.265 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 0.445 123.273 122.820 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 -0.446 7.713 8.150 0.014 0.000 0.446 419 L N -2.668 118.561 121.223 0.009 0.000 2.043 419 L HA -0.349 nan 4.340 nan 0.000 0.212 419 L C 2.194 179.067 176.870 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 -4.808 115.764 120.570 0.002 0.000 3.564 420 I HA -0.267 nan 4.170 nan 0.000 0.294 420 I C -0.121 175.998 176.117 0.004 0.000 1.289 420 I CA 0.368 61.668 61.300 -0.000 0.000 1.325 420 I CB -0.139 37.857 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 -0.601 119.905 120.500 0.009 0.000 2.128 421 R HA -0.029 nan 4.340 nan 0.000 0.211 421 R C 1.201 177.512 176.300 0.019 0.000 1.067 421 R CA 2.268 58.379 56.100 0.018 0.000 1.010 421 R CB 0.753 31.068 30.300 0.025 0.000 0.922 421 R HN -0.233 7.839 8.270 0.009 0.203 0.457 422 V N -6.421 113.502 119.914 0.015 0.000 2.599 422 V HA 0.267 nan 4.120 nan 0.000 0.245 422 V C 1.240 177.340 176.094 0.010 0.000 1.046 422 V CA 2.184 64.491 62.300 0.013 0.000 1.065 422 V CB 0.107 31.936 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 0.526 123.351 122.820 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 2.315 54.355 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 -0.180 7.975 8.150 0.007 0.000 0.483 424 S N -4.462 111.243 115.700 0.010 0.000 2.506 424 S HA -0.021 nan 4.470 nan 0.000 0.219 424 S C 1.653 176.260 174.600 0.012 0.000 1.031 424 S CA 0.801 59.007 58.200 0.011 0.000 0.911 424 S CB 0.965 64.174 63.200 0.015 0.000 0.812 424 S HN -0.517 7.707 8.310 0.011 0.093 0.497 425 K N 3.266 123.673 120.400 0.012 0.000 2.296 425 K HA -0.107 nan 4.320 nan 0.000 0.200 425 K C 1.101 177.706 176.600 0.008 0.000 1.048 425 K CA 2.206 58.500 56.287 0.012 0.000 0.966 425 K CB 0.189 32.697 32.500 0.013 0.000 0.754 425 K HN -0.192 7.941 8.250 0.013 0.124 0.466 426 L N -2.330 118.898 121.223 0.007 0.000 2.728 426 L HA 0.175 nan 4.340 nan 0.000 0.235 426 L C 0.192 177.065 176.870 0.005 0.000 1.197 426 L CA -1.212 53.631 54.840 0.005 0.000 0.992 426 L CB -1.112 40.949 42.059 0.004 0.000 1.263 426 L HN -0.563 7.641 8.230 0.008 0.031 0.484 427 A N 0.442 123.266 122.820 0.006 0.000 2.024 427 A HA -0.269 nan 4.320 nan 0.000 0.220 427 A C 0.298 177.884 177.584 0.004 0.000 1.164 427 A CA 2.563 54.603 52.037 0.005 0.000 0.643 427 A CB 0.056 19.059 19.000 0.006 0.000 0.806 427 A HN -0.615 7.441 8.150 0.007 0.098 0.451 428 D N -3.149 117.253 120.400 0.004 0.000 3.068 428 D HA 0.189 nan 4.640 nan 0.000 0.327 428 D C -1.601 174.701 176.300 0.003 0.000 1.361 428 D CA -0.295 53.707 54.000 0.003 0.000 0.877 428 D CB 0.265 41.067 40.800 0.004 0.000 1.088 428 D HN 0.053 8.405 8.370 0.005 0.021 0.489 429 L N -0.097 121.128 121.223 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 54.592 54.840 0.002 0.000 0.812 429 L CB 1.602 43.662 42.059 0.002 0.000 1.223 429 L HN -0.639 7.532 8.230 0.003 0.060 0.421 430 R N 4.117 124.618 120.500 0.002 0.000 2.939 430 R HA 0.582 nan 4.340 nan 0.000 0.254 430 R C -1.218 175.083 176.300 0.001 0.000 1.123 430 R CA -2.190 53.911 56.100 0.002 0.000 1.020 430 R CB 3.369 33.670 30.300 0.002 0.000 1.206 430 R HN 0.265 8.536 8.270 0.002 0.000 0.491 431 G N -2.511 106.290 108.800 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 -0.447 174.454 174.900 0.002 0.000 1.343 431 G CA -0.017 45.084 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 2.260 58.064 55.803 0.002 0.000 0.883 432 Q CB 0.352 29.091 28.738 0.002 0.000 0.916 432 Q HN 0.146 8.568 8.270 0.002 -0.151 0.418 433 N N -8.237 110.464 118.700 0.002 0.000 3.449 433 N HA -0.007 nan 4.740 nan 0.000 0.312 433 N C -0.861 174.650 175.510 0.002 0.000 1.582 433 N CA -0.882 52.169 53.050 0.002 0.000 0.850 433 N CB 1.239 39.727 38.487 0.002 0.000 1.822 433 N HN -1.002 7.343 8.380 0.002 0.036 0.577 434 E N -1.107 119.094 120.200 0.002 0.000 2.001 434 E HA -0.342 nan 4.350 nan 0.000 0.195 434 E C 1.608 178.209 176.600 0.002 0.000 1.002 434 E CA 3.490 59.891 56.400 0.002 0.000 0.819 434 E CB -0.184 29.517 29.700 0.001 0.000 0.769 434 E HN 0.461 8.822 8.360 0.002 0.000 0.454 435 D N -0.740 119.662 120.400 0.002 0.000 2.191 435 D HA -0.345 nan 4.640 nan 0.000 0.195 435 D C 2.806 179.108 176.300 0.003 0.000 1.003 435 D CA 3.048 57.050 54.000 0.003 0.000 0.867 435 D CB -0.581 40.221 40.800 0.003 0.000 0.926 435 D HN -0.244 8.157 8.370 0.002 -0.031 0.450 436 Q N -2.608 117.194 119.800 0.003 0.000 2.224 436 Q HA -0.285 nan 4.340 nan 0.000 0.203 436 Q C 2.451 178.453 176.000 0.002 0.000 0.970 436 Q CA 2.678 58.483 55.803 0.003 0.000 0.865 436 Q CB -0.060 28.680 28.738 0.002 0.000 0.922 436 Q HN -0.306 8.233 8.270 0.003 -0.267 0.445 437 N N 1.069 119.770 118.700 0.002 0.000 2.207 437 N HA -0.172 nan 4.740 nan 0.000 0.182 437 N C 1.808 177.320 175.510 0.002 0.000 1.020 437 N CA 3.040 56.092 53.050 0.002 0.000 0.858 437 N CB 0.098 38.586 38.487 0.002 0.000 0.991 437 N HN 0.096 8.329 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 0.587 176.682 176.094 0.003 0.000 1.157 438 V CA 2.235 64.536 62.300 0.002 0.000 1.157 438 V CB -0.870 30.954 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 -0.571 108.231 108.800 0.003 0.000 2.441 439 G HA2 -0.068 nan 3.960 nan 0.000 0.212 439 G HA3 -0.068 nan 3.960 nan 0.000 0.212 439 G C 0.650 175.551 174.900 0.003 0.000 1.164 439 G CA 1.353 46.455 45.100 0.004 0.000 0.811 439 G HN -0.516 7.672 8.290 0.003 0.103 0.535 440 I N 2.445 123.016 120.570 0.002 0.000 2.163 440 I HA -0.581 nan 4.170 nan 0.000 0.243 440 I C 1.278 177.396 176.117 0.002 0.000 1.085 440 I CA 3.710 65.011 61.300 0.002 0.000 1.347 440 I CB -0.040 37.961 38.000 0.001 0.000 1.044 440 I HN -0.317 7.709 8.210 0.002 0.185 0.408 441 K N -0.754 119.648 120.400 0.002 0.000 2.280 441 K HA -0.290 nan 4.320 nan 0.000 0.202 441 K C 2.080 178.681 176.600 0.002 0.000 1.047 441 K CA 3.404 59.693 56.287 0.002 0.000 0.942 441 K CB -0.044 32.457 32.500 0.002 0.000 0.739 441 K HN 0.136 8.278 8.250 0.002 0.110 0.457 442 V N -0.138 119.777 119.914 0.003 0.000 2.255 442 V HA -0.331 nan 4.120 nan 0.000 0.243 442 V C 1.712 177.808 176.094 0.003 0.000 1.038 442 V CA 3.473 65.775 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 -0.438 7.583 8.190 0.003 0.170 0.449 443 A N -1.757 121.065 122.820 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 3.066 55.105 52.037 0.003 0.000 0.643 443 A CB -0.938 18.063 19.000 0.002 0.000 0.806 443 A HN -0.495 7.657 8.150 0.003 0.000 0.451 444 L N -3.343 117.881 121.223 0.002 0.000 2.023 444 L HA -0.354 nan 4.340 nan 0.000 0.205 444 L C 2.133 179.004 176.870 0.001 0.000 1.073 444 L CA 2.604 57.446 54.840 0.002 0.000 0.745 444 L CB -0.422 41.638 42.059 0.002 0.000 0.900 444 L HN -0.529 7.676 8.230 0.002 0.027 0.435 445 R N -2.974 117.527 120.500 0.001 0.000 2.237 445 R HA -0.225 nan 4.340 nan 0.000 0.219 445 R C 1.724 178.025 176.300 0.000 0.000 1.080 445 R CA 2.538 58.638 56.100 0.000 0.000 0.995 445 R CB -0.743 29.557 30.300 -0.000 0.000 0.875 445 R HN -0.578 7.693 8.270 0.002 0.000 0.462 446 A N -0.188 122.633 122.820 0.002 0.000 1.872 446 A HA -0.074 nan 4.320 nan 0.000 0.214 446 A C 1.620 179.206 177.584 0.004 0.000 1.187 446 A CA 2.235 54.275 52.037 0.004 0.000 0.614 446 A CB -0.258 18.746 19.000 0.006 0.000 0.826 446 A HN -0.080 7.989 8.150 0.002 0.082 0.442 447 M N -3.887 115.715 119.600 0.003 0.000 2.539 447 M HA -0.296 nan 4.480 nan 0.000 0.261 447 M C 0.751 177.051 176.300 0.001 0.000 1.069 447 M CA 2.833 58.135 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 -0.577 7.627 8.290 0.003 0.088 0.482 448 E N -3.213 116.986 120.200 -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 0.450 56.846 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 -0.576 7.622 8.360 -0.001 0.161 0.500 449 A N 0.527 123.344 122.820 -0.004 0.000 1.858 449 A HA -0.097 nan 4.320 nan 0.000 0.216 449 A C -0.849 176.732 177.584 -0.004 0.000 1.190 449 A CA 4.914 56.949 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 -0.107 7.860 8.150 -0.001 0.183 0.443 450 P HA -0.259 nan 4.420 nan 0.000 0.213 450 P C 1.148 178.444 177.300 -0.006 0.000 1.170 450 P CA 2.595 65.695 63.100 0.001 0.000 0.902 450 P CB -0.610 31.094 31.700 0.006 0.000 0.789 451 L N -0.749 120.467 121.223 -0.012 0.000 1.956 451 L HA -0.399 nan 4.340 nan 0.000 0.216 451 L C 2.003 178.847 176.870 -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 41.772 42.059 -0.033 0.000 0.889 451 L HN -0.233 7.992 8.230 -0.009 0.000 0.433 452 R N -3.221 117.253 120.500 -0.043 0.000 2.174 452 R HA -0.505 nan 4.340 nan 0.000 0.253 452 R C 2.576 178.853 176.300 -0.039 0.000 1.165 452 R CA 3.301 59.372 56.100 -0.048 0.000 0.984 452 R CB -0.537 29.743 30.300 -0.034 0.000 0.873 452 R HN -0.521 7.727 8.270 -0.035 0.000 0.456 453 Q N -0.781 119.004 119.800 -0.025 0.000 1.984 453 Q HA -0.178 nan 4.340 nan 0.000 0.196 453 Q C 1.892 177.882 176.000 -0.017 0.000 0.975 453 Q CA 2.313 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 0.156 120.719 120.570 -0.012 0.000 2.103 454 I HA -0.656 nan 4.170 nan 0.000 0.241 454 I C 2.102 178.216 176.117 -0.006 0.000 1.036 454 I CA 4.332 65.631 61.300 -0.001 0.000 1.300 454 I CB -0.073 37.932 38.000 0.007 0.000 1.010 454 I HN 0.121 8.325 8.210 -0.010 0.000 0.406 455 V N -1.420 118.469 119.914 -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 3.871 66.121 62.300 -0.084 0.000 1.064 455 V CB -0.890 30.798 31.823 -0.225 0.000 0.670 455 V HN -0.025 8.131 8.190 -0.056 0.000 0.461 456 L N -0.301 120.896 121.223 -0.042 0.000 2.046 456 L HA -0.345 nan 4.340 nan 0.000 0.208 456 L C 1.210 178.073 176.870 -0.011 0.000 1.077 456 L CA 3.004 57.828 54.840 -0.027 0.000 0.747 456 L CB -0.380 41.665 42.059 -0.023 0.000 0.896 456 L HN 0.170 8.253 8.230 -0.044 0.120 0.432 457 N N -1.689 117.008 118.700 -0.005 0.000 2.223 457 N HA -0.229 nan 4.740 nan 0.000 0.185 457 N C 2.330 177.846 175.510 0.009 0.000 1.016 457 N CA 3.335 56.387 53.050 0.003 0.000 0.863 457 N CB -0.046 38.444 38.487 0.006 0.000 0.983 457 N HN -0.376 8.000 8.380 -0.007 0.000 0.429 458 C N -3.226 116.083 119.300 0.015 0.000 2.440 458 C HA -0.166 nan 4.460 nan 0.000 0.278 458 C C 1.360 176.363 174.990 0.021 0.000 1.295 458 C CA 2.693 61.729 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 7.699 8.230 0.010 0.127 0.492 459 G N -2.213 106.592 108.800 0.007 0.000 2.231 459 G HA2 -0.288 nan 3.960 nan 0.000 0.206 459 G HA3 -0.288 nan 3.960 nan 0.000 0.206 459 G C -0.428 174.473 174.900 0.001 0.000 0.996 459 G CA -0.150 44.953 45.100 0.005 0.000 0.645 459 G HN -0.199 7.988 8.290 -0.002 0.101 0.498 460 E N 1.058 121.256 120.200 -0.003 0.000 2.345 460 E HA 0.091 nan 4.350 nan 0.000 0.259 460 E C -0.986 175.589 176.600 -0.042 0.000 1.117 460 E CA -1.261 55.131 56.400 -0.013 0.000 0.913 460 E CB 1.014 30.710 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 -0.205 119.973 120.200 -0.037 0.000 2.299 461 E HA 0.132 nan 4.350 nan 0.000 0.272 461 E C -0.061 176.497 176.600 -0.070 0.000 1.043 461 E CA -1.884 54.492 56.400 -0.040 0.000 0.895 461 E CB -0.580 29.109 29.700 -0.019 0.000 1.011 461 E HN 0.171 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 1.024 178.286 177.300 -0.064 0.000 1.151 462 P CA 1.888 64.938 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 -2.414 113.261 115.700 -0.041 0.000 2.496 463 S HA -0.055 nan 4.470 nan 0.000 0.224 463 S C 0.970 175.559 174.600 -0.019 0.000 0.996 463 S CA 1.938 60.122 58.200 -0.026 0.000 0.927 463 S CB -0.146 63.044 63.200 -0.016 0.000 0.774 463 S HN 0.142 8.431 8.310 -0.036 0.000 0.524 464 V N 0.353 120.255 119.914 -0.020 0.000 2.599 464 V HA -0.120 nan 4.120 nan 0.000 0.245 464 V C 1.016 177.127 176.094 0.028 0.000 1.046 464 V CA 3.075 65.379 62.300 0.007 0.000 1.065 464 V CB 0.092 31.927 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 -0.312 nan 4.120 nan 0.000 0.244 465 V C 1.406 177.494 176.094 -0.011 0.000 1.037 465 V CA 4.375 66.646 62.300 -0.048 0.000 1.029 465 V CB -1.051 30.498 31.823 -0.457 0.000 0.663 465 V HN -0.602 7.532 8.190 -0.093 0.000 0.454 466 A N -1.502 121.286 122.820 -0.054 0.000 2.070 466 A HA -0.331 nan 4.320 nan 0.000 0.220 466 A C 1.677 179.255 177.584 -0.011 0.000 1.159 466 A CA 3.220 55.236 52.037 -0.034 0.000 0.656 466 A CB -0.715 18.262 19.000 -0.038 0.000 0.800 466 A HN -0.338 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 -0.102 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 2.670 55.721 53.050 0.001 0.000 0.862 467 N CB 0.160 38.649 38.487 0.002 0.000 0.992 467 N HN -0.338 7.893 8.380 -0.004 0.147 0.429 468 T N 3.700 118.260 114.554 0.009 0.000 2.668 468 T HA -0.226 nan 4.350 nan 0.000 0.258 468 T C 2.230 176.916 174.700 -0.023 0.000 1.051 468 T CA 4.196 66.275 62.100 -0.036 0.000 1.155 468 T CB -0.184 68.587 68.868 -0.161 0.000 0.864 468 T HN -0.546 7.629 8.240 0.034 0.085 0.413 469 V N 1.771 121.676 119.914 -0.015 0.000 2.453 469 V HA -0.442 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 3.930 66.153 62.300 -0.128 0.000 1.070 469 V CB -1.135 30.649 31.823 -0.063 0.000 0.664 469 V HN 0.479 8.720 8.190 0.084 0.000 0.461 470 K N 0.512 120.906 120.400 -0.011 0.000 1.985 470 K HA -0.268 nan 4.320 nan 0.000 0.210 470 K C 1.217 177.837 176.600 0.033 0.000 1.047 470 K CA 2.710 59.002 56.287 0.008 0.000 0.932 470 K CB 0.059 32.562 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 0.083 nan 3.960 nan 0.000 0.256 471 G HA3 0.083 nan 3.960 nan 0.000 0.256 471 G C -0.957 174.009 174.900 0.110 0.000 0.938 471 G CA -0.252 44.883 45.100 0.058 0.000 1.890 471 G HN -0.534 7.774 8.290 0.030 0.000 0.639 472 G N 0.397 109.295 108.800 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 -2.171 172.877 174.900 0.247 0.000 2.403 472 G CA -0.253 44.999 45.100 0.253 0.000 0.763 472 G HN -0.712 7.597 8.290 0.130 0.059 0.371 473 D N 2.246 122.721 120.400 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 55.980 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 -0.798 174.166 174.900 0.107 0.000 1.311 474 G CA -0.430 44.723 45.100 0.089 0.000 0.915 474 G HN 0.141 8.475 8.290 0.073 0.000 0.528 475 N N -0.241 118.520 118.700 0.103 0.000 2.413 475 N HA -0.025 nan 4.740 nan 0.000 0.207 475 N C -0.716 174.883 175.510 0.147 0.000 1.206 475 N CA -0.077 53.030 53.050 0.095 0.000 0.832 475 N CB -0.395 38.133 38.487 0.070 0.000 1.037 475 N HN 0.093 8.527 8.380 0.091 0.000 0.467 476 Y N 1.268 121.598 120.300 0.050 0.000 2.442 476 Y HA -0.091 nan 4.550 nan 0.000 0.330 476 Y C -1.873 174.090 175.900 0.106 0.000 1.129 476 Y CA 0.449 58.591 58.100 0.071 0.000 1.365 476 Y CB 0.281 38.776 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 5.025 113.718 108.800 -0.179 0.000 2.682 477 G HA2 0.094 nan 3.960 nan 0.000 0.303 477 G HA3 0.094 nan 3.960 nan 0.000 0.303 477 G C -3.669 171.206 174.900 -0.041 0.000 1.341 477 G CA -0.791 44.166 45.100 -0.238 0.000 0.784 477 G HN 0.365 8.736 8.290 0.134 0.000 0.497 478 Y N -0.367 119.844 120.300 -0.147 0.000 2.491 478 Y HA 0.149 nan 4.550 nan 0.000 0.334 478 Y C -1.305 174.496 175.900 -0.165 0.000 0.969 478 Y CA -1.906 56.042 58.100 -0.254 0.000 1.241 478 Y CB 0.461 38.675 38.460 -0.411 0.000 1.105 478 Y HN -0.071 8.259 8.280 0.083 0.000 0.503 479 N N 8.396 126.930 118.700 -0.278 0.000 2.406 479 N HA -0.119 nan 4.740 nan 0.000 0.269 479 N C -0.137 175.144 175.510 -0.382 0.000 1.210 479 N CA -0.526 52.395 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 8.467 8.380 -0.275 0.084 0.491 480 A N 5.616 128.333 122.820 -0.172 0.000 2.121 480 A HA -0.205 nan 4.320 nan 0.000 0.218 480 A C 1.127 178.659 177.584 -0.086 0.000 1.154 480 A CA 2.478 54.470 52.037 -0.074 0.000 0.679 480 A CB -0.518 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 -2.917 119.851 122.820 -0.086 0.000 2.067 481 A HA -0.191 nan 4.320 nan 0.000 0.219 481 A C 0.657 178.194 177.584 -0.080 0.000 1.158 481 A CA 2.605 54.606 52.037 -0.060 0.000 0.661 481 A CB -0.261 18.713 19.000 -0.044 0.000 0.801 481 A HN 0.042 8.261 8.150 -0.090 -0.123 0.452 482 T N -9.403 105.069 114.554 -0.136 0.000 3.130 482 T HA 0.183 nan 4.350 nan 0.000 0.288 482 T C 0.120 174.687 174.700 -0.221 0.000 0.936 482 T CA -0.657 61.362 62.100 -0.136 0.000 0.897 482 T CB 0.979 69.780 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 -1.359 118.608 120.200 -0.387 0.000 2.637 483 E HA -0.429 nan 4.350 nan 0.000 0.265 483 E C -1.371 174.724 176.600 -0.841 0.000 1.073 483 E CA 1.482 57.444 56.400 -0.730 0.000 0.778 483 E CB -1.598 27.953 29.700 -0.249 0.000 1.362 483 E HN 0.257 8.278 8.360 -0.356 0.124 0.413 484 E N -2.989 116.815 120.200 -0.660 0.000 2.183 484 E HA 0.319 nan 4.350 nan 0.000 0.271 484 E C -0.909 175.525 176.600 -0.276 0.000 0.919 484 E CA -2.337 53.844 56.400 -0.364 0.000 0.781 484 E CB 1.960 31.575 29.700 -0.142 0.000 1.140 484 E HN -0.432 7.563 8.360 -0.566 0.025 0.402 485 Y N 2.359 122.662 120.300 0.004 0.000 2.616 485 Y HA 0.006 nan 4.550 nan 0.000 0.350 485 Y C -0.150 175.940 175.900 0.317 0.000 1.119 485 Y CA 0.474 58.698 58.100 0.208 0.000 1.467 485 Y CB -1.013 37.688 38.460 0.402 0.000 1.287 485 Y HN 0.377 8.789 8.280 0.219 0.000 0.504 486 G N 1.430 110.441 108.800 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 -2.481 172.595 174.900 0.293 0.000 1.386 486 G CA -1.695 43.573 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 0.805 119.619 118.700 0.189 0.000 2.416 487 N HA 0.041 nan 4.740 nan 0.000 0.271 487 N C 1.613 177.186 175.510 0.105 0.000 1.245 487 N CA 0.706 53.851 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 5.852 125.513 119.600 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 32.197 32.600 0.046 0.000 1.365 488 M HN 0.355 8.724 8.290 0.133 0.000 0.406 489 I N -1.444 119.154 120.570 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 2.524 63.844 61.300 0.034 0.000 1.417 489 I CB -1.469 36.552 38.000 0.034 0.000 1.078 489 I HN -0.615 7.698 8.210 0.059 -0.068 0.421 490 D N 1.297 121.718 120.400 0.035 0.000 2.178 490 D HA -0.170 nan 4.640 nan 0.000 0.202 490 D C 1.854 178.167 176.300 0.022 0.000 0.974 490 D CA 2.997 57.014 54.000 0.028 0.000 0.841 490 D CB 0.072 40.892 40.800 0.032 0.000 0.953 490 D HN 0.127 8.903 8.370 0.045 -0.378 0.478 491 M N -3.440 116.174 119.600 0.025 0.000 2.618 491 M HA 0.030 nan 4.480 nan 0.000 0.240 491 M C 0.454 176.758 176.300 0.007 0.000 1.123 491 M CA 0.395 55.703 55.300 0.013 0.000 1.060 491 M CB 0.400 33.006 32.600 0.011 0.000 1.535 491 M HN -0.116 8.081 8.290 0.034 0.113 0.507 492 G N -1.165 107.642 108.800 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 -0.255 174.650 174.900 0.008 0.000 0.983 492 G CA 0.862 45.967 45.100 0.009 0.000 0.676 492 G HN -0.264 7.824 8.290 0.017 0.212 0.528 493 I N 3.866 124.442 120.570 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 -2.702 35.299 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 2.196 123.427 121.223 0.014 0.000 2.223 494 L HA 0.911 nan 4.340 nan 0.000 0.243 494 L C -1.260 175.621 176.870 0.018 0.000 1.105 494 L CA -2.245 52.605 54.840 0.017 0.000 0.943 494 L CB 2.689 44.759 42.059 0.019 0.000 1.542 494 L HN -0.399 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 0.359 nan 4.640 nan 0.000 0.221 495 D C -2.967 173.347 176.300 0.023 0.000 1.237 495 D CA -1.415 52.598 54.000 0.022 0.000 0.781 495 D CB 0.385 41.199 40.800 0.023 0.000 1.575 495 D HN -0.129 8.254 8.370 0.020 0.000 0.482 496 P HA -0.233 nan 4.420 nan 0.000 0.269 496 P C 0.295 177.609 177.300 0.024 0.000 1.200 496 P CA 0.561 63.676 63.100 0.025 0.000 0.779 496 P CB 0.429 32.146 31.700 0.029 0.000 0.841 497 T N 2.205 116.772 114.554 0.022 0.000 2.942 497 T HA -0.174 nan 4.350 nan 0.000 0.265 497 T C 1.658 176.371 174.700 0.021 0.000 1.062 497 T CA 4.278 66.390 62.100 0.019 0.000 1.139 497 T CB -0.054 68.824 68.868 0.016 0.000 0.883 497 T HN 0.280 8.435 8.240 0.021 0.098 0.468 498 K N 0.993 121.407 120.400 0.024 0.000 2.020 498 K HA -0.393 nan 4.320 nan 0.000 0.212 498 K C 1.481 178.104 176.600 0.039 0.000 1.050 498 K CA 4.003 60.308 56.287 0.030 0.000 0.929 498 K CB -0.400 32.120 32.500 0.034 0.000 0.714 498 K HN 0.162 8.414 8.250 0.024 0.013 0.443 499 V N -6.798 113.141 119.914 0.041 0.000 2.358 499 V HA -0.143 nan 4.120 nan 0.000 0.246 499 V C 1.722 177.843 176.094 0.045 0.000 1.047 499 V CA 2.982 65.311 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 1.464 116.037 114.554 0.032 0.000 2.915 500 T HA -0.214 nan 4.350 nan 0.000 0.269 500 T C 1.928 176.640 174.700 0.020 0.000 1.071 500 T CA 4.069 66.184 62.100 0.026 0.000 1.132 500 T CB -0.457 68.423 68.868 0.020 0.000 0.878 500 T HN -0.636 7.622 8.240 0.029 0.000 0.479 501 R N 2.289 122.798 120.500 0.015 0.000 2.052 501 R HA -0.209 nan 4.340 nan 0.000 0.226 501 R C 1.620 177.908 176.300 -0.021 0.000 1.145 501 R CA 3.325 59.421 56.100 -0.006 0.000 0.952 501 R CB 0.402 30.697 30.300 -0.008 0.000 0.847 501 R HN 0.038 8.201 8.270 0.020 0.119 0.431 502 S N -0.581 115.126 115.700 0.012 0.000 2.653 502 S HA -0.177 nan 4.470 nan 0.000 0.233 502 S C 1.061 175.760 174.600 0.165 0.000 0.970 502 S CA 2.114 60.338 58.200 0.040 0.000 0.947 502 S CB -0.414 62.901 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 1.237 124.112 122.820 0.092 0.000 1.942 503 A HA 0.083 nan 4.320 nan 0.000 0.209 503 A C 1.030 178.656 177.584 0.069 0.000 1.214 503 A CA 2.264 54.363 52.037 0.104 0.000 0.686 503 A CB -0.249 18.790 19.000 0.064 0.000 0.871 503 A HN -0.469 7.502 8.150 0.051 0.209 0.460 504 L N -0.764 120.472 121.223 0.021 0.000 2.179 504 L HA -0.241 nan 4.340 nan 0.000 0.208 504 L C 1.869 178.715 176.870 -0.040 0.000 1.096 504 L CA 2.955 57.794 54.840 -0.002 0.000 0.779 504 L CB -0.215 41.838 42.059 -0.010 0.000 0.922 504 L HN -0.629 7.526 8.230 0.014 0.083 0.443 505 Q N -1.688 118.044 119.800 -0.114 0.000 2.119 505 Q HA -0.310 nan 4.340 nan 0.000 0.201 505 Q C 2.509 178.336 176.000 -0.288 0.000 0.972 505 Q CA 3.336 58.992 55.803 -0.245 0.000 0.847 505 Q CB -0.030 28.471 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 1.090 176.994 175.900 0.007 0.000 1.119 506 Y CA 1.987 60.091 58.100 0.007 0.000 1.203 506 Y CB -0.398 38.066 38.460 0.007 0.000 1.026 506 Y HN -0.767 7.461 8.280 -0.088 0.000 0.549 507 A N -0.577 122.321 122.820 0.131 0.000 1.883 507 A HA -0.402 nan 4.320 nan 0.000 0.217 507 A C 1.574 179.190 177.584 0.054 0.000 1.186 507 A CA 3.120 55.205 52.037 0.080 0.000 0.624 507 A CB -0.958 18.074 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 -5.143 117.695 122.820 0.029 0.000 2.169 508 A HA -0.081 nan 4.320 nan 0.000 0.212 508 A C 1.722 179.319 177.584 0.021 0.000 1.153 508 A CA 1.770 53.817 52.037 0.016 0.000 0.756 508 A CB -0.822 18.176 19.000 -0.003 0.000 0.813 508 A HN -0.276 7.883 8.150 0.016 0.000 0.471 509 S N 0.134 115.857 115.700 0.038 0.000 2.335 509 S HA -0.212 nan 4.470 nan 0.000 0.217 509 S C 1.967 176.604 174.600 0.061 0.000 1.032 509 S CA 3.365 61.597 58.200 0.052 0.000 0.985 509 S CB 0.104 63.366 63.200 0.104 0.000 0.896 509 S HN -0.742 7.425 8.310 0.049 0.173 0.445 510 V N 0.553 120.513 119.914 0.077 0.000 2.233 510 V HA -0.424 nan 4.120 nan 0.000 0.247 510 V C 1.870 177.989 176.094 0.041 0.000 1.050 510 V CA 3.068 65.402 62.300 0.057 0.000 1.010 510 V CB -1.332 30.524 31.823 0.054 0.000 0.637 510 V HN -0.528 7.724 8.190 0.104 0.000 0.444 511 A N -1.563 121.280 122.820 0.038 0.000 2.042 511 A HA -0.340 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 -0.910 18.105 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 -1.722 107.093 108.800 0.025 0.000 2.404 512 G HA2 -0.220 nan 3.960 nan 0.000 0.214 512 G HA3 -0.220 nan 3.960 nan 0.000 0.214 512 G C 1.142 176.056 174.900 0.022 0.000 1.189 512 G CA 1.395 46.507 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 1.152 122.391 121.223 0.027 0.000 2.129 513 L HA -0.443 nan 4.340 nan 0.000 0.212 513 L C 2.592 179.477 176.870 0.025 0.000 1.087 513 L CA 2.819 57.675 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 -2.213 117.402 119.600 0.025 0.000 2.236 514 M HA -0.285 nan 4.480 nan 0.000 0.266 514 M C 2.590 178.903 176.300 0.022 0.000 1.070 514 M CA 3.580 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 -0.525 120.057 120.570 0.020 0.000 2.315 515 I HA -0.365 nan 4.170 nan 0.000 0.248 515 I C 1.413 177.542 176.117 0.020 0.000 1.117 515 I CA 3.016 64.327 61.300 0.018 0.000 1.404 515 I CB 0.174 38.184 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 -6.693 107.874 114.554 0.021 0.000 3.235 516 T HA 0.169 nan 4.350 nan 0.000 0.251 516 T C 0.236 174.953 174.700 0.028 0.000 1.060 516 T CA -0.705 61.409 62.100 0.023 0.000 0.949 516 T CB -0.650 68.230 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 3.393 117.964 114.554 0.028 0.000 2.882 517 T HA 0.136 nan 4.350 nan 0.000 0.287 517 T C -0.350 174.374 174.700 0.040 0.000 0.992 517 T CA 0.666 62.785 62.100 0.032 0.000 1.076 517 T CB 1.217 70.102 68.868 0.027 0.000 0.961 517 T HN -0.614 7.462 8.240 0.026 0.180 0.490 518 E N 1.205 121.437 120.200 0.053 0.000 2.474 518 E HA 0.189 nan 4.350 nan 0.000 0.215 518 E C -1.607 175.054 176.600 0.100 0.000 0.867 518 E CA 0.669 57.122 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 1.994 29.679 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 5.919 125.451 119.600 -0.113 0.000 2.263 520 M HA 0.355 nan 4.480 nan 0.000 0.295 520 M C -1.871 174.458 176.300 0.049 0.000 1.028 520 M CA -0.516 54.804 55.300 0.034 0.000 0.921 520 M CB 3.716 36.441 32.600 0.208 0.000 1.601 520 M HN 0.404 8.543 8.290 -0.252 0.000 0.440 521 V N 3.728 123.643 119.914 0.001 0.000 2.448 521 V HA 0.428 nan 4.120 nan 0.000 0.295 521 V C -1.012 175.029 176.094 -0.087 0.000 1.025 521 V CA -0.223 62.060 62.300 -0.027 0.000 0.859 521 V CB 1.302 33.102 31.823 -0.039 0.000 0.988 521 V HN 0.219 8.403 8.190 -0.010 0.000 0.431 522 T N 5.394 119.859 114.554 -0.149 0.000 2.754 522 T HA 0.429 nan 4.350 nan 0.000 0.296 522 T C -1.732 172.861 174.700 -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 8.197 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