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_G 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 5.331 125.505 120.400 -0.376 0.000 2.422 7 K HA 0.460 nan 4.320 nan 0.000 0.251 7 K C -2.128 174.128 176.600 -0.572 0.000 0.933 7 K CA -1.223 54.785 56.287 -0.464 0.000 0.798 7 K CB 4.575 36.653 32.500 -0.704 0.000 1.238 7 K HN 0.303 8.361 8.250 -0.320 0.000 0.428 8 F N 0.071 119.974 119.950 -0.080 0.000 2.522 8 F HA 0.654 nan 4.527 nan 0.000 0.324 8 F C 0.526 176.296 175.800 -0.051 0.000 1.077 8 F CA -0.746 57.227 58.000 -0.045 0.000 0.944 8 F CB 2.783 41.765 39.000 -0.030 0.000 1.175 8 F HN 0.076 8.380 8.300 0.007 0.000 0.468 9 G N 1.152 110.064 108.800 0.187 0.000 2.627 9 G HA2 -0.582 nan 3.960 nan 0.000 0.312 9 G HA3 -0.582 nan 3.960 nan 0.000 0.312 9 G C 0.167 175.087 174.900 0.033 0.000 1.299 9 G CA 1.304 46.459 45.100 0.092 0.000 0.989 9 G HN 0.497 8.931 8.290 0.240 0.000 0.547 10 N N 3.325 122.037 118.700 0.021 0.000 2.137 10 N HA -0.381 nan 4.740 nan 0.000 0.190 10 N C 1.832 177.327 175.510 -0.024 0.000 1.017 10 N CA 3.119 56.169 53.050 -0.001 0.000 0.859 10 N CB -0.166 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 -0.602 119.777 120.400 -0.035 0.000 2.264 11 D HA -0.201 nan 4.640 nan 0.000 0.208 11 D C 1.185 177.389 176.300 -0.159 0.000 0.966 11 D CA 2.782 56.729 54.000 -0.090 0.000 0.864 11 D CB -0.520 40.227 40.800 -0.088 0.000 0.933 11 D HN -0.397 7.948 8.370 -0.010 0.019 0.499 12 A N -0.603 122.145 122.820 -0.120 0.000 1.903 12 A HA 0.042 nan 4.320 nan 0.000 0.213 12 A C 1.950 179.500 177.584 -0.055 0.000 1.185 12 A CA 2.459 54.419 52.037 -0.129 0.000 0.628 12 A CB -0.348 18.607 19.000 -0.074 0.000 0.830 12 A HN 0.166 8.109 8.150 -0.065 0.169 0.446 13 G N -1.540 107.242 108.800 -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 2.008 47.103 45.100 -0.009 0.000 0.776 13 G HN -0.241 7.938 8.290 -0.029 0.094 0.542 14 V N -2.640 117.260 119.914 -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 3.016 65.305 62.300 -0.019 0.000 1.081 14 V CB -0.894 30.913 31.823 -0.027 0.000 0.686 14 V HN 0.445 8.516 8.190 -0.038 0.096 0.468 15 K N 0.061 120.451 120.400 -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 1.813 58.115 56.287 0.026 0.000 0.957 15 K CB -0.608 31.916 32.500 0.041 0.000 0.738 15 K HN -0.690 7.399 8.250 -0.043 0.136 0.447 16 M N -0.445 119.182 119.600 0.044 0.000 2.117 16 M HA -0.336 nan 4.480 nan 0.000 0.262 16 M C 2.420 178.737 176.300 0.029 0.000 1.065 16 M CA 3.842 59.168 55.300 0.043 0.000 1.114 16 M CB 0.176 32.798 32.600 0.036 0.000 1.361 16 M HN -0.455 7.852 8.290 0.029 0.000 0.408 17 L N -1.517 119.718 121.223 0.021 0.000 2.027 17 L HA -0.316 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 3.260 58.109 54.840 0.015 0.000 0.745 17 L CB -0.410 41.655 42.059 0.010 0.000 0.898 17 L HN -0.249 7.986 8.230 0.017 0.005 0.433 18 R N -1.664 118.846 120.500 0.017 0.000 2.119 18 R HA -0.420 nan 4.340 nan 0.000 0.246 18 R C 2.715 179.026 176.300 0.020 0.000 1.146 18 R CA 3.848 59.958 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 8.022 8.270 0.016 0.000 0.442 19 G N -4.968 103.847 108.800 0.025 0.000 2.939 19 G HA2 0.093 nan 3.960 nan 0.000 0.210 19 G HA3 0.093 nan 3.960 nan 0.000 0.210 19 G C 0.573 175.483 174.900 0.017 0.000 1.160 19 G CA 0.613 45.726 45.100 0.022 0.000 0.770 19 G HN -0.442 7.865 8.290 0.031 0.002 0.543 20 V N 3.271 123.196 119.914 0.017 0.000 2.446 20 V HA -0.273 nan 4.120 nan 0.000 0.244 20 V C 1.514 177.616 176.094 0.012 0.000 1.039 20 V CA 3.593 65.901 62.300 0.015 0.000 1.045 20 V CB -0.205 31.628 31.823 0.016 0.000 0.681 20 V HN -0.278 7.745 8.190 0.019 0.178 0.459 21 N N -0.769 117.938 118.700 0.011 0.000 2.166 21 N HA -0.274 nan 4.740 nan 0.000 0.186 21 N C 2.264 177.779 175.510 0.008 0.000 1.019 21 N CA 3.420 56.475 53.050 0.009 0.000 0.856 21 N CB -0.556 37.936 38.487 0.008 0.000 0.993 21 N HN -0.045 8.343 8.380 0.012 0.000 0.426 22 V N 0.577 120.496 119.914 0.008 0.000 2.237 22 V HA -0.358 nan 4.120 nan 0.000 0.245 22 V C 1.778 177.875 176.094 0.006 0.000 1.046 22 V CA 4.050 66.354 62.300 0.007 0.000 1.007 22 V CB -0.617 31.210 31.823 0.007 0.000 0.638 22 V HN -0.752 7.354 8.190 0.010 0.091 0.445 23 L N -0.858 120.369 121.223 0.006 0.000 1.990 23 L HA -0.437 nan 4.340 nan 0.000 0.213 23 L C 1.653 178.526 176.870 0.006 0.000 1.072 23 L CA 3.331 58.174 54.840 0.005 0.000 0.755 23 L CB -0.801 41.261 42.059 0.006 0.000 0.889 23 L HN -0.797 7.437 8.230 0.008 0.000 0.432 24 A N -2.150 120.675 122.820 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 3.392 55.434 52.037 0.007 0.000 0.620 24 A CB -1.001 18.004 19.000 0.009 0.000 0.822 24 A HN 0.602 8.651 8.150 0.008 0.106 0.443 25 D N -1.212 119.191 120.400 0.005 0.000 2.182 25 D HA -0.265 nan 4.640 nan 0.000 0.201 25 D C 1.487 177.789 176.300 0.004 0.000 0.986 25 D CA 2.839 56.842 54.000 0.004 0.000 0.847 25 D CB -0.400 40.402 40.800 0.004 0.000 0.942 25 D HN 0.181 8.436 8.370 0.006 0.118 0.467 26 A N -2.105 120.717 122.820 0.004 0.000 1.903 26 A HA 0.025 nan 4.320 nan 0.000 0.213 26 A C 1.473 179.060 177.584 0.004 0.000 1.185 26 A CA 2.419 54.458 52.037 0.003 0.000 0.628 26 A CB 0.601 19.602 19.000 0.003 0.000 0.830 26 A HN -0.605 7.522 8.150 0.004 0.026 0.446 27 V N -2.119 117.797 119.914 0.004 0.000 2.535 27 V HA -0.184 nan 4.120 nan 0.000 0.246 27 V C 2.229 178.326 176.094 0.006 0.000 1.045 27 V CA 3.348 65.650 62.300 0.005 0.000 1.058 27 V CB -0.481 31.345 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 -0.023 120.380 120.400 0.005 0.000 2.442 28 K HA -0.247 nan 4.320 nan 0.000 0.198 28 K C 2.480 179.082 176.600 0.004 0.000 1.042 28 K CA 2.730 59.021 56.287 0.005 0.000 0.958 28 K CB -0.577 31.926 32.500 0.005 0.000 0.766 28 K HN 0.045 8.298 8.250 0.005 0.000 0.474 29 V N -0.502 119.414 119.914 0.004 0.000 2.759 29 V HA -0.202 nan 4.120 nan 0.000 0.256 29 V C 1.008 177.105 176.094 0.004 0.000 1.080 29 V CA 3.075 65.377 62.300 0.003 0.000 1.101 29 V CB -0.638 31.187 31.823 0.003 0.000 0.698 29 V HN -0.013 8.008 8.190 0.004 0.171 0.477 30 T N -4.803 109.755 114.554 0.005 0.000 3.081 30 T HA -0.001 nan 4.350 nan 0.000 0.250 30 T C 0.226 174.930 174.700 0.007 0.000 1.100 30 T CA 0.049 62.153 62.100 0.006 0.000 1.038 30 T CB -0.033 68.839 68.868 0.007 0.000 0.962 30 T HN -0.404 7.704 8.240 0.005 0.135 0.516 31 L N 3.389 124.616 121.223 0.007 0.000 2.453 31 L HA -0.095 nan 4.340 nan 0.000 0.272 31 L C -0.228 176.648 176.870 0.009 0.000 1.182 31 L CA 1.382 56.227 54.840 0.008 0.000 0.858 31 L CB 0.406 42.469 42.059 0.007 0.000 1.120 31 L HN -0.720 7.332 8.230 0.006 0.182 0.474 32 G N 3.095 111.902 108.800 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 -0.694 44.415 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 -1.005 176.301 177.300 0.009 0.000 1.177 33 P CA 0.804 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 -1.525 118.882 120.400 0.013 0.000 3.010 34 K HA 0.255 nan 4.320 nan 0.000 0.211 34 K C -0.504 176.102 176.600 0.010 0.000 1.146 34 K CA -1.897 54.396 56.287 0.011 0.000 1.070 34 K CB -1.187 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 -0.652 108.153 108.800 0.009 0.000 2.544 35 G HA2 0.010 nan 3.960 nan 0.000 0.242 35 G HA3 0.010 nan 3.960 nan 0.000 0.242 35 G C -1.277 173.627 174.900 0.006 0.000 1.247 35 G CA -0.085 45.020 45.100 0.008 0.000 0.840 35 G HN -0.628 7.582 8.290 0.009 0.086 0.578 36 R N 1.464 121.967 120.500 0.006 0.000 2.596 36 R HA 0.133 nan 4.340 nan 0.000 0.267 36 R C -0.530 175.773 176.300 0.005 0.000 1.026 36 R CA -2.595 53.508 56.100 0.005 0.000 1.087 36 R CB 1.491 31.794 30.300 0.004 0.000 1.132 36 R HN 0.014 8.287 8.270 0.005 0.000 0.531 37 N N -1.342 117.361 118.700 0.005 0.000 2.483 37 N HA 0.126 nan 4.740 nan 0.000 0.269 37 N C -0.704 174.808 175.510 0.004 0.000 1.209 37 N CA 0.168 53.220 53.050 0.005 0.000 0.969 37 N CB 1.195 39.685 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 2.376 122.293 119.914 0.004 0.000 2.577 38 V HA 0.241 nan 4.120 nan 0.000 0.303 38 V C -1.224 174.873 176.094 0.004 0.000 1.042 38 V CA -0.733 61.569 62.300 0.004 0.000 0.872 38 V CB 3.297 35.123 31.823 0.004 0.000 0.998 38 V HN 0.620 8.813 8.190 0.005 0.000 0.423 39 V N 6.565 126.480 119.914 0.003 0.000 2.334 39 V HA 0.453 nan 4.120 nan 0.000 0.267 39 V C -0.342 175.753 176.094 0.001 0.000 1.040 39 V CA -0.889 61.413 62.300 0.003 0.000 0.866 39 V CB -0.991 30.834 31.823 0.002 0.000 1.019 39 V HN 0.330 8.521 8.190 0.002 0.000 0.468 40 L N 9.022 130.247 121.223 0.002 0.000 2.277 40 L HA 0.331 nan 4.340 nan 0.000 0.284 40 L C -0.579 176.291 176.870 -0.001 0.000 1.028 40 L CA -1.346 53.494 54.840 0.000 0.000 0.835 40 L CB 0.537 42.598 42.059 0.003 0.000 1.215 40 L HN 0.790 9.023 8.230 0.004 0.000 0.425 41 D N 5.607 126.003 120.400 -0.006 0.000 2.364 41 D HA -0.168 nan 4.640 nan 0.000 0.236 41 D C -1.413 174.878 176.300 -0.015 0.000 1.221 41 D CA 0.994 54.987 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 8.683 8.370 -0.007 0.000 0.449 42 K N 0.011 120.399 120.400 -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 -1.014 55.257 56.287 -0.027 0.000 0.851 42 K CB 2.672 35.180 32.500 0.013 0.000 1.395 42 K HN -0.141 8.097 8.250 -0.019 0.000 0.440 43 S N 1.470 117.081 115.700 -0.147 0.000 2.381 43 S HA -0.265 nan 4.470 nan 0.000 0.230 43 S C 0.493 174.748 174.600 -0.575 0.000 1.052 43 S CA 2.596 60.560 58.200 -0.394 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 2.059 122.006 119.950 -0.006 0.000 2.550 44 F HA 0.152 nan 4.527 nan 0.000 0.312 44 F C -0.065 175.732 175.800 -0.004 0.000 1.256 44 F CA -0.534 57.462 58.000 -0.006 0.000 1.182 44 F CB -0.531 38.465 39.000 -0.007 0.000 1.383 44 F HN -0.638 7.674 8.300 0.020 0.000 0.541 45 G N 1.241 110.093 108.800 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 -1.377 173.557 174.900 0.057 0.000 1.586 45 G CA -0.214 44.923 45.100 0.060 0.000 1.051 45 G HN -0.395 7.838 8.290 0.008 0.061 0.572 46 A N 0.019 122.860 122.820 0.034 0.000 2.009 46 A HA -0.175 nan 4.320 nan 0.000 0.247 46 A C -2.305 175.293 177.584 0.024 0.000 1.355 46 A CA -0.539 51.515 52.037 0.028 0.000 0.696 46 A CB -0.516 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 -0.068 nan 4.420 nan 0.000 0.265 47 P C -0.526 176.781 177.300 0.013 0.000 1.187 47 P CA -0.190 62.916 63.100 0.011 0.000 0.766 47 P CB 0.437 32.140 31.700 0.005 0.000 0.820 48 T N -0.241 114.321 114.554 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 -1.074 61.034 62.100 0.013 0.000 1.013 48 T CB 0.413 69.290 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 7.750 128.326 120.570 0.009 0.000 2.308 49 I HA 0.306 nan 4.170 nan 0.000 0.293 49 I C -0.191 175.930 176.117 0.008 0.000 1.078 49 I CA -0.012 61.293 61.300 0.007 0.000 1.292 49 I CB -0.770 37.234 38.000 0.007 0.000 1.423 49 I HN 0.403 8.619 8.210 0.010 0.000 0.493 50 T N 6.498 121.056 114.554 0.008 0.000 2.807 50 T HA 0.565 nan 4.350 nan 0.000 0.277 50 T C -1.160 173.544 174.700 0.007 0.000 1.006 50 T CA -1.911 60.194 62.100 0.008 0.000 1.006 50 T CB 3.142 72.015 68.868 0.009 0.000 1.274 50 T HN 0.837 9.081 8.240 0.007 0.000 0.569 51 K N -2.259 118.145 120.400 0.008 0.000 2.817 51 K HA 0.171 nan 4.320 nan 0.000 0.183 51 K C -2.200 174.405 176.600 0.008 0.000 1.145 51 K CA 0.020 56.312 56.287 0.007 0.000 1.114 51 K CB 1.328 33.832 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 -0.253 120.152 120.400 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 -1.531 52.474 54.000 0.009 0.000 0.839 52 D CB 1.008 41.814 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 5.101 113.906 108.800 0.007 0.000 2.574 53 G HA2 -0.458 nan 3.960 nan 0.000 0.220 53 G HA3 -0.458 nan 3.960 nan 0.000 0.220 53 G C 0.908 175.810 174.900 0.004 0.000 1.173 53 G CA 2.375 47.478 45.100 0.006 0.000 0.772 53 G HN 0.580 8.875 8.290 0.008 0.000 0.585 54 V N 0.411 120.327 119.914 0.003 0.000 2.223 54 V HA -0.437 nan 4.120 nan 0.000 0.244 54 V C 1.892 177.987 176.094 0.003 0.000 1.045 54 V CA 4.067 66.367 62.300 0.000 0.000 1.000 54 V CB -0.338 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 -0.752 114.951 115.700 0.006 0.000 2.399 55 S HA -0.501 nan 4.470 nan 0.000 0.235 55 S C 1.988 176.591 174.600 0.006 0.000 1.063 55 S CA 3.730 61.935 58.200 0.008 0.000 1.070 55 S CB -0.417 62.789 63.200 0.010 0.000 0.904 55 S HN -0.332 7.981 8.310 0.006 0.000 0.456 56 V N -0.513 119.405 119.914 0.005 0.000 2.307 56 V HA -0.314 nan 4.120 nan 0.000 0.245 56 V C 2.183 178.279 176.094 0.002 0.000 1.045 56 V CA 4.000 66.302 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 -0.449 7.732 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 1.805 179.389 177.584 -0.000 0.000 1.169 57 A CA 2.927 54.964 52.037 0.000 0.000 0.635 57 A CB -0.796 18.203 19.000 -0.001 0.000 0.810 57 A HN -0.292 7.859 8.150 0.002 0.000 0.446 58 R N -2.035 118.466 120.500 0.001 0.000 2.159 58 R HA -0.308 nan 4.340 nan 0.000 0.237 58 R C 1.635 177.937 176.300 0.003 0.000 1.131 58 R CA 2.807 58.909 56.100 0.003 0.000 0.982 58 R CB 0.158 30.463 30.300 0.008 0.000 0.868 58 R HN -0.097 8.152 8.270 0.002 0.022 0.453 59 E N -2.659 117.542 120.200 0.002 0.000 2.405 59 E HA 0.020 nan 4.350 nan 0.000 0.214 59 E C -0.643 175.955 176.600 -0.003 0.000 1.101 59 E CA -0.884 55.516 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 0.741 121.309 120.570 -0.003 0.000 2.466 60 I HA 0.116 nan 4.170 nan 0.000 0.279 60 I C -2.114 173.999 176.117 -0.006 0.000 1.033 60 I CA -0.484 60.813 61.300 -0.004 0.000 1.123 60 I CB 1.297 39.295 38.000 -0.002 0.000 1.237 60 I HN -0.252 7.878 8.210 -0.003 0.079 0.460 61 E N 7.517 127.712 120.200 -0.008 0.000 2.246 61 E HA 0.224 nan 4.350 nan 0.000 0.266 61 E C -1.822 174.772 176.600 -0.011 0.000 0.880 61 E CA -0.885 55.508 56.400 -0.012 0.000 0.762 61 E CB 2.702 32.393 29.700 -0.016 0.000 1.180 61 E HN 0.146 8.501 8.360 -0.008 0.000 0.416 62 L N 4.724 125.941 121.223 -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 -0.680 54.157 54.840 -0.005 0.000 0.801 62 L CB 1.044 43.105 42.059 0.004 0.000 1.223 62 L HN 0.095 8.319 8.230 -0.011 0.000 0.456 63 E N 1.058 121.254 120.200 -0.006 0.000 2.106 63 E HA -0.278 nan 4.350 nan 0.000 0.192 63 E C 0.030 176.625 176.600 -0.008 0.000 0.984 63 E CA 2.163 58.558 56.400 -0.008 0.000 0.806 63 E CB 0.378 30.076 29.700 -0.003 0.000 0.750 63 E HN 0.437 8.796 8.360 -0.001 0.000 0.458 64 D N -1.041 119.362 120.400 0.006 0.000 2.304 64 D HA 0.031 nan 4.640 nan 0.000 0.250 64 D C 1.162 177.451 176.300 -0.018 0.000 1.107 64 D CA -0.280 53.732 54.000 0.020 0.000 0.885 64 D CB 1.568 42.407 40.800 0.066 0.000 1.192 64 D HN -0.152 8.209 8.370 0.012 0.017 0.436 65 K N 4.715 125.060 120.400 -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 3.225 59.377 56.287 -0.224 0.000 0.932 65 K CB -0.000 32.245 32.500 -0.424 0.000 0.716 65 K HN 0.328 8.537 8.250 -0.069 0.000 0.439 66 F N -3.036 116.898 119.950 -0.027 0.000 2.120 66 F HA -0.390 nan 4.527 nan 0.000 0.300 66 F C 2.218 178.005 175.800 -0.023 0.000 1.095 66 F CA 3.949 61.931 58.000 -0.030 0.000 1.249 66 F CB -0.655 38.326 39.000 -0.032 0.000 0.995 66 F HN -0.405 7.940 8.300 -0.187 -0.157 0.480 67 E N -1.871 118.419 120.200 0.149 0.000 2.072 67 E HA -0.419 nan 4.350 nan 0.000 0.190 67 E C 2.218 178.840 176.600 0.037 0.000 0.982 67 E CA 2.624 59.072 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 -0.419 8.188 8.360 0.161 -0.151 0.453 68 N N 0.224 118.929 118.700 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 56.200 53.050 -0.013 0.000 0.853 68 N CB 0.300 38.765 38.487 -0.037 0.000 1.008 68 N HN -0.210 8.107 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 4.106 59.399 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 0.422 8.624 8.290 -0.030 0.070 0.413 70 G N -4.066 104.756 108.800 0.036 0.000 2.499 70 G HA2 -0.345 nan 3.960 nan 0.000 0.221 70 G HA3 -0.345 nan 3.960 nan 0.000 0.221 70 G C 0.488 175.402 174.900 0.022 0.000 1.109 70 G CA 2.093 47.214 45.100 0.035 0.000 0.749 70 G HN -0.031 8.292 8.290 0.056 0.000 0.568 71 A N 0.424 123.254 122.820 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 1.560 53.602 52.037 0.009 0.000 0.686 71 A CB -0.109 18.895 19.000 0.007 0.000 0.871 71 A HN -0.401 7.589 8.150 0.015 0.169 0.460 72 Q N -1.380 118.419 119.800 -0.002 0.000 2.364 72 Q HA -0.297 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 2.216 58.014 55.803 -0.008 0.000 0.885 72 Q CB -0.579 28.150 28.738 -0.015 0.000 0.941 72 Q HN 0.251 8.520 8.270 -0.003 0.000 0.464 73 M N -0.616 118.984 119.600 0.000 0.000 2.115 73 M HA -0.247 nan 4.480 nan 0.000 0.261 73 M C 1.548 177.851 176.300 0.006 0.000 1.079 73 M CA 4.339 59.642 55.300 0.005 0.000 1.143 73 M CB 0.102 32.710 32.600 0.012 0.000 1.332 73 M HN -0.422 7.817 8.290 0.004 0.053 0.421 74 V N -1.387 118.533 119.914 0.010 0.000 2.688 74 V HA -0.449 nan 4.120 nan 0.000 0.256 74 V C 2.345 178.439 176.094 -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 8.136 8.190 0.011 0.000 0.480 75 K N -2.170 118.226 120.400 -0.007 0.000 2.137 75 K HA -0.169 nan 4.320 nan 0.000 0.202 75 K C 1.491 178.072 176.600 -0.032 0.000 1.052 75 K CA 2.881 59.158 56.287 -0.017 0.000 0.961 75 K CB -0.243 32.249 32.500 -0.013 0.000 0.741 75 K HN -0.417 7.694 8.250 -0.004 0.137 0.452 76 E N -1.001 119.180 120.200 -0.030 0.000 2.158 76 E HA -0.102 nan 4.350 nan 0.000 0.191 76 E C 1.736 178.289 176.600 -0.077 0.000 0.982 76 E CA 2.538 58.911 56.400 -0.045 0.000 0.823 76 E CB 0.907 30.589 29.700 -0.030 0.000 0.766 76 E HN -0.627 7.721 8.360 -0.020 0.000 0.468 77 V N -0.990 118.888 119.914 -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 3.974 66.220 62.300 -0.090 0.000 1.020 77 V CB -0.319 31.523 31.823 0.032 0.000 0.657 77 V HN -0.449 7.723 8.190 -0.030 0.000 0.453 78 A N -1.538 121.232 122.820 -0.084 0.000 2.178 78 A HA -0.288 nan 4.320 nan 0.000 0.218 78 A C 1.326 178.827 177.584 -0.138 0.000 1.157 78 A CA 2.831 54.824 52.037 -0.074 0.000 0.689 78 A CB -1.012 17.980 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 -3.310 112.294 115.700 -0.161 0.000 2.387 79 S HA -0.266 nan 4.470 nan 0.000 0.226 79 S C 1.766 176.235 174.600 -0.218 0.000 1.026 79 S CA 2.939 61.053 58.200 -0.143 0.000 0.972 79 S CB -0.240 62.898 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 0.661 120.822 120.400 -0.399 0.000 2.515 80 K HA -0.180 nan 4.320 nan 0.000 0.196 80 K C 1.472 177.705 176.600 -0.611 0.000 1.038 80 K CA 1.676 57.619 56.287 -0.575 0.000 0.967 80 K CB -0.467 31.517 32.500 -0.859 0.000 0.780 80 K HN -0.278 7.582 8.250 -0.415 0.141 0.483 81 A N -0.153 122.411 122.820 -0.428 0.000 1.823 81 A HA -0.227 nan 4.320 nan 0.000 0.214 81 A C 1.126 178.699 177.584 -0.017 0.000 1.225 81 A CA 2.752 54.754 52.037 -0.057 0.000 0.604 81 A CB -0.493 18.524 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 -0.542 118.133 118.700 -0.041 0.000 2.037 82 N HA -0.461 nan 4.740 nan 0.000 0.196 82 N C 2.563 178.044 175.510 -0.048 0.000 1.034 82 N CA 3.134 56.164 53.050 -0.034 0.000 0.861 82 N CB -0.226 38.235 38.487 -0.043 0.000 1.039 82 N HN -0.120 8.225 8.380 -0.058 0.000 0.427 83 D N 0.065 120.420 120.400 -0.074 0.000 2.191 83 D HA -0.286 nan 4.640 nan 0.000 0.195 83 D C 0.763 177.038 176.300 -0.042 0.000 1.003 83 D CA 2.985 56.942 54.000 -0.073 0.000 0.867 83 D CB -0.202 40.544 40.800 -0.090 0.000 0.926 83 D HN -0.328 7.985 8.370 -0.094 0.000 0.450 84 A N -3.314 119.503 122.820 -0.004 0.000 1.993 84 A HA 0.126 nan 4.320 nan 0.000 0.207 84 A C 0.281 177.892 177.584 0.045 0.000 1.224 84 A CA 1.593 53.655 52.037 0.041 0.000 0.749 84 A CB 0.843 19.912 19.000 0.116 0.000 0.884 84 A HN -0.429 7.596 8.150 -0.011 0.119 0.467 85 A N -4.602 118.250 122.820 0.053 0.000 2.014 85 A HA 0.115 nan 4.320 nan 0.000 0.210 85 A C 0.544 178.144 177.584 0.027 0.000 1.188 85 A CA 0.945 53.012 52.037 0.050 0.000 0.731 85 A CB 0.916 19.959 19.000 0.072 0.000 0.858 85 A HN 0.324 8.508 8.150 0.056 0.000 0.464 86 G N -3.140 105.663 108.800 0.004 0.000 2.339 86 G HA2 -0.264 nan 3.960 nan 0.000 0.209 86 G HA3 -0.264 nan 3.960 nan 0.000 0.209 86 G C -1.677 173.223 174.900 -0.000 0.000 1.015 86 G CA 0.275 45.367 45.100 -0.014 0.000 0.635 86 G HN 0.169 8.346 8.290 0.004 0.115 0.499 87 D N -0.769 119.642 120.400 0.018 0.000 2.714 87 D HA 0.277 nan 4.640 nan 0.000 0.278 87 D C -0.591 175.726 176.300 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 -2.481 106.337 108.800 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 45.822 45.100 0.044 0.000 0.640 88 G HN 0.380 8.685 8.290 0.025 0.000 0.496 89 T N 4.035 118.595 114.554 0.012 0.000 2.622 89 T HA -0.373 nan 4.350 nan 0.000 0.266 89 T C 1.686 176.392 174.700 0.010 0.000 1.047 89 T CA 5.316 67.415 62.100 -0.001 0.000 1.159 89 T CB -0.554 68.305 68.868 -0.015 0.000 0.863 89 T HN 0.449 8.693 8.240 0.008 0.000 0.422 90 T N 1.708 116.269 114.554 0.011 0.000 2.684 90 T HA -0.311 nan 4.350 nan 0.000 0.267 90 T C 1.945 176.655 174.700 0.017 0.000 1.036 90 T CA 4.677 66.784 62.100 0.012 0.000 1.148 90 T CB -0.813 68.062 68.868 0.011 0.000 0.863 90 T HN 0.464 8.710 8.240 0.010 0.000 0.436 91 T N 3.528 118.096 114.554 0.022 0.000 2.746 91 T HA -0.242 nan 4.350 nan 0.000 0.267 91 T C 1.412 176.132 174.700 0.033 0.000 1.039 91 T CA 4.590 66.705 62.100 0.026 0.000 1.142 91 T CB -0.855 68.031 68.868 0.030 0.000 0.866 91 T HN -0.128 8.125 8.240 0.022 0.000 0.444 92 A N 0.828 123.674 122.820 0.043 0.000 1.972 92 A HA -0.227 nan 4.320 nan 0.000 0.219 92 A C 2.021 179.631 177.584 0.043 0.000 1.169 92 A CA 3.168 55.240 52.037 0.059 0.000 0.635 92 A CB -0.839 18.208 19.000 0.079 0.000 0.810 92 A HN 0.481 8.453 8.150 0.040 0.202 0.446 93 T N 1.593 116.163 114.554 0.028 0.000 2.942 93 T HA -0.170 nan 4.350 nan 0.000 0.265 93 T C 2.245 176.956 174.700 0.019 0.000 1.062 93 T CA 4.259 66.371 62.100 0.020 0.000 1.139 93 T CB -0.263 68.612 68.868 0.013 0.000 0.883 93 T HN -0.147 7.987 8.240 0.024 0.121 0.468 94 V N 2.744 122.669 119.914 0.018 0.000 2.379 94 V HA -0.273 nan 4.120 nan 0.000 0.245 94 V C 1.635 177.739 176.094 0.016 0.000 1.044 94 V CA 4.389 66.698 62.300 0.014 0.000 1.036 94 V CB -0.887 30.943 31.823 0.012 0.000 0.664 94 V HN 0.016 8.125 8.190 0.019 0.092 0.453 95 L N -1.865 119.371 121.223 0.021 0.000 2.072 95 L HA -0.337 nan 4.340 nan 0.000 0.205 95 L C 1.837 178.722 176.870 0.024 0.000 1.079 95 L CA 3.328 58.181 54.840 0.022 0.000 0.752 95 L CB -0.823 41.252 42.059 0.026 0.000 0.906 95 L HN 0.414 8.658 8.230 0.025 0.000 0.436 96 A N -1.795 121.044 122.820 0.030 0.000 1.933 96 A HA -0.397 nan 4.320 nan 0.000 0.218 96 A C 1.796 179.394 177.584 0.023 0.000 1.175 96 A CA 3.234 55.290 52.037 0.031 0.000 0.628 96 A CB -1.027 17.995 19.000 0.037 0.000 0.814 96 A HN 0.070 8.129 8.150 0.034 0.112 0.444 97 Q N -0.747 119.065 119.800 0.019 0.000 2.079 97 Q HA -0.301 nan 4.340 nan 0.000 0.200 97 Q C 2.057 178.065 176.000 0.012 0.000 0.974 97 Q CA 2.988 58.800 55.803 0.015 0.000 0.840 97 Q CB -0.154 28.591 28.738 0.012 0.000 0.898 97 Q HN -0.371 7.826 8.270 0.020 0.085 0.430 98 A N 0.061 122.888 122.820 0.012 0.000 1.877 98 A HA -0.255 nan 4.320 nan 0.000 0.216 98 A C 2.187 179.777 177.584 0.009 0.000 1.186 98 A CA 3.043 55.085 52.037 0.009 0.000 0.620 98 A CB -0.799 18.205 19.000 0.008 0.000 0.822 98 A HN -0.280 7.793 8.150 0.013 0.084 0.443 99 I N -1.504 119.073 120.570 0.012 0.000 2.202 99 I HA -0.566 nan 4.170 nan 0.000 0.242 99 I C 2.028 178.152 176.117 0.012 0.000 1.091 99 I CA 4.257 65.564 61.300 0.012 0.000 1.368 99 I CB 0.031 38.039 38.000 0.014 0.000 1.058 99 I HN -0.165 8.054 8.210 0.014 0.000 0.410 100 I N -0.645 119.934 120.570 0.015 0.000 2.208 100 I HA -0.635 nan 4.170 nan 0.000 0.245 100 I C 2.031 178.154 176.117 0.011 0.000 1.097 100 I CA 4.743 66.052 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 -0.154 8.066 8.210 0.016 0.000 0.413 101 T N 2.257 116.818 114.554 0.010 0.000 2.643 101 T HA -0.342 nan 4.350 nan 0.000 0.264 101 T C 2.364 177.068 174.700 0.006 0.000 1.045 101 T CA 4.948 67.052 62.100 0.008 0.000 1.155 101 T CB -0.537 68.335 68.868 0.007 0.000 0.863 101 T HN -0.158 8.089 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 2.554 179.158 176.600 0.006 0.000 1.010 102 E CA 1.568 57.971 56.400 0.005 0.000 0.856 102 E CB -0.568 29.134 29.700 0.004 0.000 0.795 102 E HN -0.528 7.836 8.360 0.006 0.000 0.504 103 G N 0.021 108.825 108.800 0.007 0.000 2.396 103 G HA2 -0.154 nan 3.960 nan 0.000 0.214 103 G HA3 -0.154 nan 3.960 nan 0.000 0.214 103 G C 1.009 175.913 174.900 0.008 0.000 1.166 103 G CA 1.649 46.754 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 1.931 178.805 176.870 0.006 0.000 1.094 104 L CA 2.508 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 0.218 8.344 8.230 0.009 0.110 0.437 105 K N -1.648 118.755 120.400 0.005 0.000 2.152 105 K HA -0.363 nan 4.320 nan 0.000 0.206 105 K C 2.196 178.798 176.600 0.003 0.000 1.048 105 K CA 3.198 59.487 56.287 0.004 0.000 0.933 105 K CB -0.390 32.112 32.500 0.003 0.000 0.721 105 K HN -0.596 7.639 8.250 0.005 0.017 0.447 106 A N -1.011 121.812 122.820 0.004 0.000 1.872 106 A HA -0.082 nan 4.320 nan 0.000 0.214 106 A C 2.103 179.690 177.584 0.005 0.000 1.187 106 A CA 2.661 54.700 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 2.601 178.698 176.094 0.006 0.000 1.062 107 V CA 3.884 66.188 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 -1.171 121.651 122.820 0.005 0.000 2.015 108 A HA -0.172 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 2.667 54.706 52.037 0.003 0.000 0.646 108 A CB -0.643 18.358 19.000 0.002 0.000 0.806 108 A HN -0.158 7.991 8.150 0.005 0.004 0.448 109 A N -3.424 119.397 122.820 0.002 0.000 2.238 109 A HA 0.009 nan 4.320 nan 0.000 0.208 109 A C 0.110 177.695 177.584 0.001 0.000 1.177 109 A CA 0.081 52.119 52.037 0.001 0.000 0.804 109 A CB 0.264 19.265 19.000 0.001 0.000 0.823 109 A HN -0.193 7.801 8.150 0.003 0.158 0.482 110 G N -2.979 105.822 108.800 0.002 0.000 2.238 110 G HA2 -0.352 nan 3.960 nan 0.000 0.217 110 G HA3 -0.352 nan 3.960 nan 0.000 0.217 110 G C -0.013 174.889 174.900 0.003 0.000 0.996 110 G CA -0.257 44.844 45.100 0.002 0.000 0.632 110 G HN -0.288 7.810 8.290 0.003 0.194 0.503 111 M N 1.056 120.658 119.600 0.003 0.000 2.251 111 M HA -0.285 nan 4.480 nan 0.000 0.343 111 M C 0.007 176.310 176.300 0.005 0.000 1.245 111 M CA 0.891 56.193 55.300 0.004 0.000 1.061 111 M CB 0.337 32.939 32.600 0.004 0.000 1.723 111 M HN -0.651 7.641 8.290 0.003 0.000 0.449 112 N N 5.277 123.980 118.700 0.005 0.000 2.374 112 N HA -0.034 nan 4.740 nan 0.000 0.269 112 N C -0.914 174.600 175.510 0.008 0.000 1.310 112 N CA -0.265 52.788 53.050 0.006 0.000 0.877 112 N CB 0.433 38.923 38.487 0.005 0.000 1.096 112 N HN 0.104 8.861 8.380 0.004 -0.375 0.484 113 P HA -0.164 nan 4.420 nan 0.000 0.217 113 P C 1.209 178.515 177.300 0.011 0.000 1.150 113 P CA 2.461 65.568 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 -3.764 115.842 119.600 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 -1.619 30.987 32.600 0.009 0.000 1.374 114 M HN -0.288 8.141 8.290 0.010 -0.132 0.411 115 D N 0.508 120.912 120.400 0.007 0.000 2.194 115 D HA -0.078 nan 4.640 nan 0.000 0.204 115 D C 2.688 178.991 176.300 0.005 0.000 0.964 115 D CA 3.002 57.005 54.000 0.005 0.000 0.846 115 D CB -0.149 40.654 40.800 0.005 0.000 0.962 115 D HN -0.455 8.107 8.370 0.007 -0.188 0.490 116 L N -0.335 120.892 121.223 0.006 0.000 2.046 116 L HA -0.382 nan 4.340 nan 0.000 0.208 116 L C 1.733 178.607 176.870 0.006 0.000 1.077 116 L CA 3.238 58.081 54.840 0.006 0.000 0.747 116 L CB -0.127 41.937 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 -1.154 119.251 120.400 0.007 0.000 2.103 117 K HA -0.334 nan 4.320 nan 0.000 0.204 117 K C 2.202 178.805 176.600 0.005 0.000 1.052 117 K CA 3.197 59.488 56.287 0.007 0.000 0.945 117 K CB -0.258 32.247 32.500 0.010 0.000 0.722 117 K HN -0.049 8.204 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 2.587 178.888 176.300 0.002 0.000 1.131 118 R CA 3.295 59.397 56.100 0.003 0.000 0.960 118 R CB -0.090 30.213 30.300 0.004 0.000 0.856 118 R HN -0.268 7.921 8.270 0.006 0.085 0.436 119 G N -1.676 107.126 108.800 0.002 0.000 2.394 119 G HA2 -0.188 nan 3.960 nan 0.000 0.215 119 G HA3 -0.188 nan 3.960 nan 0.000 0.215 119 G C 0.953 175.853 174.900 0.001 0.000 1.165 119 G CA 1.575 46.676 45.100 0.002 0.000 0.784 119 G HN -0.232 8.060 8.290 0.003 0.000 0.535 120 I N 1.194 121.765 120.570 0.002 0.000 2.399 120 I HA -0.517 nan 4.170 nan 0.000 0.254 120 I C 0.798 176.914 176.117 -0.002 0.000 1.146 120 I CA 3.329 64.630 61.300 0.002 0.000 1.412 120 I CB -0.178 37.824 38.000 0.004 0.000 1.076 120 I HN -0.033 8.178 8.210 0.003 0.000 0.432 121 D N -2.603 117.796 120.400 -0.002 0.000 2.249 121 D HA 0.010 nan 4.640 nan 0.000 0.205 121 D C 1.761 178.056 176.300 -0.008 0.000 0.962 121 D CA 2.540 56.536 54.000 -0.006 0.000 0.860 121 D CB -0.382 40.415 40.800 -0.005 0.000 0.955 121 D HN -0.056 8.102 8.370 -0.000 0.212 0.505 122 K N 0.254 120.651 120.400 -0.005 0.000 2.031 122 K HA -0.144 nan 4.320 nan 0.000 0.205 122 K C 1.747 178.344 176.600 -0.005 0.000 1.049 122 K CA 2.449 58.733 56.287 -0.005 0.000 0.939 122 K CB 0.028 32.526 32.500 -0.002 0.000 0.717 122 K HN -0.636 7.491 8.250 -0.003 0.121 0.438 123 A N -1.863 120.955 122.820 -0.004 0.000 2.131 123 A HA -0.185 nan 4.320 nan 0.000 0.220 123 A C 2.432 180.012 177.584 -0.006 0.000 1.158 123 A CA 2.920 54.955 52.037 -0.003 0.000 0.665 123 A CB -0.803 18.196 19.000 -0.002 0.000 0.795 123 A HN -0.298 7.851 8.150 -0.003 0.000 0.460 124 V N -1.809 118.099 119.914 -0.010 0.000 2.273 124 V HA -0.378 nan 4.120 nan 0.000 0.242 124 V C 2.014 178.097 176.094 -0.018 0.000 1.035 124 V CA 4.608 66.898 62.300 -0.016 0.000 1.013 124 V CB -0.733 31.075 31.823 -0.024 0.000 0.652 124 V HN -0.216 7.923 8.190 -0.010 0.045 0.452 125 T N 2.256 116.800 114.554 -0.017 0.000 2.760 125 T HA -0.385 nan 4.350 nan 0.000 0.269 125 T C 1.941 176.634 174.700 -0.011 0.000 1.047 125 T CA 4.391 66.481 62.100 -0.016 0.000 1.139 125 T CB -0.546 68.315 68.868 -0.012 0.000 0.855 125 T HN -0.515 7.715 8.240 -0.017 0.000 0.471 126 V N 0.344 120.253 119.914 -0.008 0.000 2.302 126 V HA -0.277 nan 4.120 nan 0.000 0.243 126 V C 1.413 177.504 176.094 -0.004 0.000 1.036 126 V CA 3.896 66.194 62.300 -0.004 0.000 1.020 126 V CB -1.027 30.794 31.823 -0.002 0.000 0.657 126 V HN -0.370 7.793 8.190 -0.008 0.022 0.453 127 A N -0.309 122.508 122.820 -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 -1.014 17.983 19.000 -0.005 0.000 0.823 127 A HN -0.296 7.744 8.150 -0.006 0.107 0.451 128 V N -2.111 117.797 119.914 -0.010 0.000 2.332 128 V HA -0.536 nan 4.120 nan 0.000 0.248 128 V C 2.146 178.237 176.094 -0.005 0.000 1.055 128 V CA 4.878 67.171 62.300 -0.011 0.000 1.038 128 V CB -0.904 30.906 31.823 -0.021 0.000 0.651 128 V HN 0.366 8.546 8.190 -0.014 0.002 0.450 129 E N -1.730 118.467 120.200 -0.004 0.000 2.085 129 E HA -0.427 nan 4.350 nan 0.000 0.194 129 E C 2.667 179.268 176.600 0.002 0.000 0.994 129 E CA 3.084 59.483 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 -1.219 118.982 120.200 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 2.662 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 -0.261 8.000 8.360 0.001 0.100 0.447 131 L N -4.512 116.715 121.223 0.007 0.000 2.353 131 L HA -0.206 nan 4.340 nan 0.000 0.220 131 L C 2.091 178.967 176.870 0.010 0.000 1.133 131 L CA 2.966 57.812 54.840 0.010 0.000 0.798 131 L CB -0.914 41.150 42.059 0.009 0.000 0.922 131 L HN 0.204 8.437 8.230 0.005 0.000 0.445 132 K N -1.637 118.767 120.400 0.007 0.000 2.305 132 K HA -0.155 nan 4.320 nan 0.000 0.199 132 K C 1.094 177.700 176.600 0.009 0.000 1.047 132 K CA 1.375 57.667 56.287 0.008 0.000 0.976 132 K CB -0.869 31.634 32.500 0.005 0.000 0.765 132 K HN -0.360 7.845 8.250 0.005 0.048 0.474 133 A N -1.212 121.614 122.820 0.010 0.000 1.975 133 A HA -0.062 nan 4.320 nan 0.000 0.215 133 A C 1.337 178.930 177.584 0.014 0.000 1.170 133 A CA 1.761 53.805 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 -0.246 7.745 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 0.036 176.917 176.870 0.020 0.000 1.133 134 L CA 0.718 55.570 54.840 0.020 0.000 0.816 134 L CB 0.394 42.466 42.059 0.022 0.000 0.933 134 L HN -0.417 7.735 8.230 0.014 0.087 0.449 135 S N -2.230 113.480 115.700 0.017 0.000 2.572 135 S HA -0.073 nan 4.470 nan 0.000 0.279 135 S C -0.951 173.659 174.600 0.016 0.000 1.341 135 S CA 0.142 58.352 58.200 0.017 0.000 1.043 135 S CB 0.738 63.947 63.200 0.015 0.000 0.887 135 S HN -0.675 7.485 8.310 0.015 0.159 0.516 136 V N 6.992 126.916 119.914 0.017 0.000 2.347 136 V HA 0.389 nan 4.120 nan 0.000 0.280 136 V C -1.089 175.013 176.094 0.014 0.000 1.021 136 V CA -3.659 58.650 62.300 0.016 0.000 0.847 136 V CB 0.615 32.448 31.823 0.017 0.000 0.990 136 V HN -0.048 8.153 8.190 0.017 0.000 0.444 137 P HA 0.038 nan 4.420 nan 0.000 0.273 137 P C -1.539 175.768 177.300 0.011 0.000 1.258 137 P CA 0.073 63.180 63.100 0.011 0.000 0.802 137 P CB 0.735 32.441 31.700 0.010 0.000 1.040 138 C N -1.426 117.880 119.300 0.010 0.000 3.384 138 C HA 0.278 nan 4.460 nan 0.000 0.294 138 C C 0.437 175.432 174.990 0.008 0.000 1.062 138 C CA -1.372 57.651 59.018 0.009 0.000 1.325 138 C CB -0.467 27.280 27.740 0.010 0.000 1.793 138 C HN 0.243 8.479 8.230 0.010 0.000 0.563 139 S N 6.196 121.900 115.700 0.007 0.000 2.583 139 S HA 0.073 nan 4.470 nan 0.000 0.203 139 S C -0.554 174.048 174.600 0.004 0.000 0.952 139 S CA 0.139 58.342 58.200 0.005 0.000 0.887 139 S CB 0.254 63.457 63.200 0.005 0.000 0.857 139 S HN -0.031 8.283 8.310 0.007 0.000 0.611 140 D N 1.937 122.340 120.400 0.004 0.000 2.515 140 D HA -0.110 nan 4.640 nan 0.000 0.230 140 D C 1.260 177.561 176.300 0.002 0.000 1.181 140 D CA 0.787 54.789 54.000 0.003 0.000 0.875 140 D CB 0.507 41.309 40.800 0.003 0.000 1.213 140 D HN -0.176 8.196 8.370 0.004 0.000 0.478 141 S N 3.159 118.859 115.700 0.001 0.000 2.374 141 S HA -0.441 nan 4.470 nan 0.000 0.227 141 S C 1.823 176.423 174.600 -0.000 0.000 1.037 141 S CA 3.710 61.910 58.200 -0.001 0.000 1.024 141 S CB 0.094 63.294 63.200 -0.001 0.000 0.861 141 S HN 0.543 8.854 8.310 0.001 0.000 0.456 142 K N -0.093 120.307 120.400 0.000 0.000 2.097 142 K HA -0.248 nan 4.320 nan 0.000 0.206 142 K C 1.489 178.090 176.600 0.002 0.000 1.049 142 K CA 2.645 58.933 56.287 0.001 0.000 0.933 142 K CB -0.921 31.580 32.500 0.001 0.000 0.717 142 K HN -0.011 8.225 8.250 0.001 0.015 0.442 143 A N 0.297 123.119 122.820 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 2.856 54.896 52.037 0.004 0.000 0.614 143 A CB -0.949 18.054 19.000 0.005 0.000 0.844 143 A HN -0.482 7.813 8.150 0.003 -0.144 0.445 144 I N -1.509 119.062 120.570 0.003 0.000 2.229 144 I HA -0.627 nan 4.170 nan 0.000 0.250 144 I C 2.073 178.190 176.117 -0.001 0.000 1.096 144 I CA 3.613 64.914 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 -0.248 7.963 8.210 0.003 0.000 0.422 145 A N -1.465 121.354 122.820 -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 3.208 55.244 52.037 -0.003 0.000 0.611 145 A CB -1.054 17.944 19.000 -0.003 0.000 0.832 145 A HN -0.075 7.970 8.150 -0.001 0.104 0.442 146 Q N -0.994 118.806 119.800 0.001 0.000 2.062 146 Q HA -0.368 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 3.521 59.325 55.803 0.002 0.000 0.859 146 Q CB -0.107 28.634 28.738 0.004 0.000 0.920 146 Q HN 0.037 8.117 8.270 0.001 0.190 0.415 147 V N -1.983 117.933 119.914 0.004 0.000 2.453 147 V HA -0.301 nan 4.120 nan 0.000 0.247 147 V C 2.012 178.107 176.094 0.002 0.000 1.048 147 V CA 3.886 66.189 62.300 0.005 0.000 1.049 147 V CB -0.919 30.909 31.823 0.008 0.000 0.672 147 V HN -0.075 8.117 8.190 0.004 0.000 0.457 148 G N -1.271 107.527 108.800 -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 0.842 175.738 174.900 -0.008 0.000 1.186 148 G CA 2.547 47.642 45.100 -0.008 0.000 0.779 148 G HN 0.234 8.336 8.290 -0.002 0.188 0.543 149 T N 1.814 116.364 114.554 -0.006 0.000 2.607 149 T HA -0.427 nan 4.350 nan 0.000 0.267 149 T C 2.510 177.208 174.700 -0.004 0.000 1.049 149 T CA 3.476 65.573 62.100 -0.006 0.000 1.162 149 T CB -0.651 68.214 68.868 -0.004 0.000 0.863 149 T HN -0.193 8.044 8.240 -0.005 0.000 0.424 150 I N 1.356 121.926 120.570 -0.001 0.000 2.113 150 I HA -0.644 nan 4.170 nan 0.000 0.242 150 I C 2.240 178.358 176.117 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 -0.443 115.258 115.700 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 2.429 60.631 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 -0.434 7.877 8.310 0.002 0.000 0.504 152 A N -1.487 121.330 122.820 -0.005 0.000 2.327 152 A HA 0.132 nan 4.320 nan 0.000 0.228 152 A C -0.972 176.610 177.584 -0.005 0.000 1.275 152 A CA -0.441 51.592 52.037 -0.008 0.000 0.875 152 A CB -0.476 18.517 19.000 -0.012 0.000 0.925 152 A HN -0.416 7.574 8.150 -0.005 0.157 0.493 153 N N -3.146 115.553 118.700 -0.002 0.000 2.741 153 N HA -0.382 nan 4.740 nan 0.000 0.251 153 N C -0.631 174.877 175.510 -0.003 0.000 1.112 153 N CA 1.093 54.142 53.050 -0.001 0.000 0.750 153 N CB -1.116 37.370 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 -4.906 110.792 115.700 -0.003 0.000 4.035 154 S HA -0.339 nan 4.470 nan 0.000 0.339 154 S C -1.608 172.989 174.600 -0.005 0.000 1.040 154 S CA 0.864 59.061 58.200 -0.004 0.000 0.972 154 S CB -0.623 62.575 63.200 -0.003 0.000 0.855 154 S HN 0.222 8.399 8.310 -0.003 0.132 0.496 155 D N 0.840 121.237 120.400 -0.006 0.000 2.500 155 D HA 0.205 nan 4.640 nan 0.000 0.219 155 D C 0.486 176.781 176.300 -0.007 0.000 1.137 155 D CA -2.253 51.743 54.000 -0.007 0.000 0.946 155 D CB 0.098 40.894 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 3.903 124.099 120.200 -0.006 0.000 2.233 156 E HA -0.502 nan 4.350 nan 0.000 0.210 156 E C 1.756 178.351 176.600 -0.007 0.000 1.046 156 E CA 2.739 59.135 56.400 -0.006 0.000 0.844 156 E CB -0.743 28.954 29.700 -0.005 0.000 0.741 156 E HN 0.010 8.367 8.360 -0.005 0.000 0.465 157 T N 2.090 116.639 114.554 -0.008 0.000 2.555 157 T HA -0.341 nan 4.350 nan 0.000 0.264 157 T C 1.974 176.667 174.700 -0.012 0.000 1.083 157 T CA 3.320 65.415 62.100 -0.009 0.000 1.179 157 T CB -0.674 68.188 68.868 -0.010 0.000 0.863 157 T HN -0.617 7.725 8.240 -0.007 -0.106 0.412 158 V N 1.808 121.714 119.914 -0.014 0.000 2.277 158 V HA -0.486 nan 4.120 nan 0.000 0.253 158 V C 1.839 177.922 176.094 -0.018 0.000 1.067 158 V CA 3.810 66.099 62.300 -0.018 0.000 1.047 158 V CB -1.255 30.555 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 -2.717 106.075 108.800 -0.014 0.000 2.491 159 G HA2 -0.470 nan 3.960 nan 0.000 0.218 159 G HA3 -0.470 nan 3.960 nan 0.000 0.218 159 G C 0.748 175.641 174.900 -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 1.154 121.547 120.400 -0.011 0.000 2.218 160 K HA -0.366 nan 4.320 nan 0.000 0.205 160 K C 2.533 179.126 176.600 -0.012 0.000 1.046 160 K CA 2.665 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 -0.824 120.390 121.223 -0.015 0.000 2.068 161 L HA -0.285 nan 4.340 nan 0.000 0.204 161 L C 1.685 178.543 176.870 -0.020 0.000 1.076 161 L CA 2.885 57.715 54.840 -0.018 0.000 0.753 161 L CB 0.116 42.161 42.059 -0.022 0.000 0.910 161 L HN -0.381 7.675 8.230 -0.016 0.165 0.439 162 I N -0.937 119.619 120.570 -0.022 0.000 2.361 162 I HA -0.460 nan 4.170 nan 0.000 0.251 162 I C 2.183 178.291 176.117 -0.015 0.000 1.133 162 I CA 1.708 62.994 61.300 -0.023 0.000 1.413 162 I CB -1.892 36.092 38.000 -0.026 0.000 1.073 162 I HN -0.126 8.071 8.210 -0.023 0.000 0.424 163 A N -1.151 121.662 122.820 -0.012 0.000 1.968 163 A HA -0.244 nan 4.320 nan 0.000 0.217 163 A C 1.963 179.543 177.584 -0.008 0.000 1.169 163 A CA 3.451 55.483 52.037 -0.008 0.000 0.638 163 A CB -0.736 18.261 19.000 -0.006 0.000 0.812 163 A HN 0.097 8.219 8.150 -0.012 0.021 0.446 164 E N -0.510 119.685 120.200 -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 2.608 59.002 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 0.103 122.916 122.820 -0.012 0.000 1.849 165 A HA -0.309 nan 4.320 nan 0.000 0.217 165 A C 1.884 179.463 177.584 -0.008 0.000 1.202 165 A CA 3.191 55.221 52.037 -0.012 0.000 0.629 165 A CB -0.781 18.209 19.000 -0.018 0.000 0.834 165 A HN 0.544 8.686 8.150 -0.014 0.000 0.447 166 M N -2.819 116.777 119.600 -0.008 0.000 2.195 166 M HA -0.422 nan 4.480 nan 0.000 0.260 166 M C 1.570 177.868 176.300 -0.003 0.000 1.066 166 M CA 3.589 58.886 55.300 -0.004 0.000 1.089 166 M CB 0.130 32.727 32.600 -0.004 0.000 1.377 166 M HN -0.300 7.984 8.290 -0.011 0.000 0.411 167 D N -1.497 118.901 120.400 -0.004 0.000 2.162 167 D HA -0.187 nan 4.640 nan 0.000 0.205 167 D C 2.907 179.205 176.300 -0.003 0.000 0.964 167 D CA 2.901 56.900 54.000 -0.003 0.000 0.847 167 D CB 0.113 40.911 40.800 -0.004 0.000 0.988 167 D HN -0.410 7.735 8.370 -0.005 0.222 0.480 168 K N -0.388 120.009 120.400 -0.004 0.000 2.160 168 K HA -0.228 nan 4.320 nan 0.000 0.206 168 K C 0.819 177.418 176.600 -0.003 0.000 1.047 168 K CA 2.430 58.714 56.287 -0.004 0.000 0.930 168 K CB 0.602 33.099 32.500 -0.005 0.000 0.720 168 K HN 0.027 8.154 8.250 -0.005 0.120 0.450 169 V N -3.207 116.706 119.914 -0.003 0.000 3.187 169 V HA 0.234 nan 4.120 nan 0.000 0.402 169 V C -1.856 174.238 176.094 0.000 0.000 1.457 169 V CA -1.304 60.995 62.300 -0.001 0.000 1.409 169 V CB 0.245 32.067 31.823 -0.001 0.000 1.218 169 V HN -0.511 7.654 8.190 -0.003 0.024 0.595 170 G N -0.341 108.459 108.800 -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 -0.776 174.125 174.900 0.003 0.000 1.373 170 G CA -0.413 44.688 45.100 0.001 0.000 0.838 170 G HN -0.719 7.570 8.290 -0.001 0.000 0.588 171 K N 0.394 120.796 120.400 0.004 0.000 2.147 171 K HA -0.257 nan 4.320 nan 0.000 0.205 171 K C 0.286 176.891 176.600 0.009 0.000 1.049 171 K CA 2.321 58.612 56.287 0.006 0.000 0.936 171 K CB 0.051 32.555 32.500 0.006 0.000 0.722 171 K HN 0.317 8.569 8.250 0.003 0.000 0.446 172 E N -2.446 117.759 120.200 0.009 0.000 2.663 172 E HA 0.152 nan 4.350 nan 0.000 0.240 172 E C -0.684 175.923 176.600 0.012 0.000 1.227 172 E CA -1.216 55.191 56.400 0.012 0.000 1.528 172 E CB -1.365 28.341 29.700 0.011 0.000 1.472 172 E HN -0.229 8.115 8.360 0.007 0.020 0.433 173 G N -1.499 107.307 108.800 0.011 0.000 2.597 173 G HA2 0.215 nan 3.960 nan 0.000 0.317 173 G HA3 0.215 nan 3.960 nan 0.000 0.317 173 G C -1.838 173.070 174.900 0.013 0.000 1.230 173 G CA -1.184 43.922 45.100 0.010 0.000 0.996 173 G HN -0.607 7.625 8.290 0.010 0.064 0.490 174 V N 1.845 121.766 119.914 0.012 0.000 2.223 174 V HA 0.274 nan 4.120 nan 0.000 0.249 174 V C -1.088 175.009 176.094 0.005 0.000 1.233 174 V CA -1.513 60.794 62.300 0.011 0.000 1.131 174 V CB -0.817 31.013 31.823 0.012 0.000 1.298 174 V HN 0.425 8.621 8.190 0.011 0.000 0.498 175 I N 8.557 129.130 120.570 0.004 0.000 2.532 175 I HA 0.387 nan 4.170 nan 0.000 0.292 175 I C -0.421 175.691 176.117 -0.007 0.000 1.014 175 I CA -0.099 61.198 61.300 -0.006 0.000 1.340 175 I CB 0.818 38.810 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 6.070 120.615 114.554 -0.014 0.000 2.907 176 T HA 0.360 nan 4.350 nan 0.000 0.292 176 T C -1.087 173.597 174.700 -0.026 0.000 1.043 176 T CA -1.032 61.060 62.100 -0.014 0.000 1.003 176 T CB 2.526 71.388 68.868 -0.010 0.000 1.084 176 T HN 0.215 8.445 8.240 -0.016 0.000 0.483 177 V N -0.411 119.487 119.914 -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 -1.396 30.393 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 5.100 125.290 120.200 -0.016 0.000 2.313 178 E HA 0.045 nan 4.350 nan 0.000 0.276 178 E C -1.001 175.592 176.600 -0.011 0.000 1.031 178 E CA -0.096 56.298 56.400 -0.011 0.000 0.857 178 E CB 1.672 31.367 29.700 -0.009 0.000 1.040 178 E HN 0.044 8.393 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 54.562 54.000 -0.007 0.000 0.902 179 D CB 1.728 42.526 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 -0.523 174.374 174.900 -0.005 0.000 1.237 180 G CA 0.035 45.132 45.100 -0.006 0.000 0.946 180 G HN 0.187 8.473 8.290 -0.007 0.000 0.522 181 T N -4.383 110.168 114.554 -0.004 0.000 3.105 181 T HA 0.233 nan 4.350 nan 0.000 0.257 181 T C 0.665 175.363 174.700 -0.003 0.000 0.949 181 T CA 0.338 62.436 62.100 -0.004 0.000 0.959 181 T CB 0.753 69.619 68.868 -0.003 0.000 1.205 181 T HN 0.491 8.728 8.240 -0.005 0.000 0.496 182 G N 1.529 110.326 108.800 -0.004 0.000 3.183 182 G HA2 0.443 nan 3.960 nan 0.000 0.247 182 G HA3 0.443 nan 3.960 nan 0.000 0.247 182 G C -1.268 173.629 174.900 -0.004 0.000 1.211 182 G CA -0.268 44.830 45.100 -0.004 0.000 0.835 182 G HN -0.642 7.645 8.290 -0.004 0.000 0.604 183 L N -0.477 120.744 121.223 -0.004 0.000 2.046 183 L HA 0.096 nan 4.340 nan 0.000 0.203 183 L C 0.429 177.296 176.870 -0.005 0.000 1.111 183 L CA 1.621 56.458 54.840 -0.004 0.000 0.769 183 L CB -0.160 41.897 42.059 -0.004 0.000 0.914 183 L HN -0.012 8.215 8.230 -0.004 0.000 0.448 184 Q N -1.025 118.772 119.800 -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 2.341 58.141 55.803 -0.005 0.000 0.898 184 Q CB 0.127 28.863 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 1.161 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 2.749 122.943 120.200 -0.009 0.000 2.235 186 E HA 0.479 nan 4.350 nan 0.000 0.265 186 E C -1.746 174.848 176.600 -0.010 0.000 0.940 186 E CA -2.317 54.078 56.400 -0.008 0.000 0.819 186 E CB 2.837 32.533 29.700 -0.007 0.000 1.206 186 E HN 0.397 8.654 8.360 -0.009 0.097 0.409 187 L N 0.915 122.133 121.223 -0.009 0.000 2.526 187 L HA 0.494 nan 4.340 nan 0.000 0.263 187 L C -2.173 174.692 176.870 -0.008 0.000 0.943 187 L CA -0.522 54.312 54.840 -0.010 0.000 0.859 187 L CB 3.024 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 -2.139 174.157 176.300 -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 0.425 8.790 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 -0.638 31.183 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 -1.659 174.433 176.094 -0.003 0.000 1.073 190 V CA -2.619 59.679 62.300 -0.004 0.000 0.956 190 V CB 4.704 36.524 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 5.296 125.493 120.200 -0.004 0.000 2.585 191 E HA -0.180 nan 4.350 nan 0.000 0.252 191 E C -0.947 175.653 176.600 0.001 0.000 0.981 191 E CA 1.272 57.670 56.400 -0.003 0.000 0.943 191 E CB 0.341 30.037 29.700 -0.007 0.000 0.923 191 E HN 0.396 8.753 8.360 -0.005 0.000 0.486 192 G N 2.343 111.148 108.800 0.007 0.000 2.495 192 G HA2 0.406 nan 3.960 nan 0.000 0.294 192 G HA3 0.406 nan 3.960 nan 0.000 0.294 192 G C -2.935 171.983 174.900 0.031 0.000 1.397 192 G CA 0.174 45.283 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 -2.102 174.272 176.300 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 0.152 8.469 8.290 0.043 0.000 0.592 194 Q N -2.978 116.897 119.800 0.125 0.000 3.135 194 Q HA -0.355 nan 4.340 nan 0.000 0.048 194 Q C -1.755 174.366 176.000 0.201 0.000 1.656 194 Q CA 1.042 56.877 55.803 0.054 0.000 0.292 194 Q CB -0.702 28.044 28.738 0.014 0.000 0.586 194 Q HN -0.611 7.786 8.270 0.109 -0.061 0.322 195 F N 1.316 121.260 119.950 -0.010 0.000 2.741 195 F HA 0.400 nan 4.527 nan 0.000 0.313 195 F C -1.636 174.161 175.800 -0.005 0.000 1.153 195 F CA -1.794 56.202 58.000 -0.007 0.000 0.931 195 F CB 2.391 41.388 39.000 -0.004 0.000 1.335 195 F HN 0.273 8.319 8.300 -0.422 0.000 0.460 196 D N 0.574 121.126 120.400 0.253 0.000 2.941 196 D HA -0.113 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 1.268 55.352 54.000 0.140 0.000 0.975 196 D CB -1.510 39.361 40.800 0.120 0.000 1.162 196 D HN 0.170 8.716 8.370 0.294 0.000 0.444 197 R N -0.200 120.374 120.500 0.123 0.000 2.422 197 R HA 0.254 nan 4.340 nan 0.000 0.307 197 R C -0.948 175.369 176.300 0.028 0.000 1.004 197 R CA -2.028 54.163 56.100 0.152 0.000 0.882 197 R CB 1.396 31.928 30.300 0.386 0.000 1.164 197 R HN -0.521 7.645 8.270 -0.063 0.066 0.489 198 G N 1.661 110.500 108.800 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 -0.670 174.376 174.900 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 -1.592 118.765 120.300 0.095 0.000 2.702 199 Y HA -0.152 nan 4.550 nan 0.000 0.336 199 Y C 0.147 176.240 175.900 0.321 0.000 1.235 199 Y CA -2.247 55.987 58.100 0.222 0.000 1.492 199 Y CB -0.463 38.170 38.460 0.288 0.000 1.308 199 Y HN -0.753 7.410 8.280 -0.005 0.114 0.589 200 L N 1.085 122.684 121.223 0.627 0.000 2.191 200 L HA -0.123 nan 4.340 nan 0.000 0.212 200 L C 0.136 176.958 176.870 -0.080 0.000 1.103 200 L CA 1.332 56.345 54.840 0.287 0.000 0.769 200 L CB -0.543 41.700 42.059 0.306 0.000 0.908 200 L HN 0.100 8.794 8.230 0.774 0.000 0.438 201 S N -5.372 110.103 115.700 -0.374 0.000 2.548 201 S HA 0.379 nan 4.470 nan 0.000 0.286 201 S C -1.603 172.497 174.600 -0.834 0.000 1.098 201 S CA -3.205 54.595 58.200 -0.668 0.000 0.930 201 S CB 1.870 64.510 63.200 -0.933 0.000 1.070 201 S HN -0.696 7.587 8.310 0.004 0.029 0.480 202 P HA -0.168 nan 4.420 nan 0.000 0.215 202 P C 0.880 178.028 177.300 -0.253 0.000 1.157 202 P CA 2.055 64.769 63.100 -0.644 0.000 0.863 202 P CB -0.025 31.488 31.700 -0.311 0.000 0.787 203 Y N -4.959 115.161 120.300 -0.299 0.000 2.446 203 Y HA -0.213 nan 4.550 nan 0.000 0.287 203 Y C 1.209 177.091 175.900 -0.030 0.000 1.159 203 Y CA 0.484 58.494 58.100 -0.150 0.000 1.297 203 Y CB -1.354 37.004 38.460 -0.171 0.000 0.974 203 Y HN 0.093 8.229 8.280 -0.239 0.000 0.557 204 F N -1.712 118.223 119.950 -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 1.205 59.235 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 7.297 8.300 -0.160 0.208 0.546 205 I N -0.317 120.475 120.570 0.370 0.000 3.085 205 I HA -0.374 nan 4.170 nan 0.000 0.302 205 I C -0.583 175.645 176.117 0.184 0.000 1.234 205 I CA 0.372 61.852 61.300 0.300 0.000 1.396 205 I CB -1.200 36.945 38.000 0.242 0.000 1.385 205 I HN -0.421 7.796 8.210 0.284 0.163 0.533 206 N N 8.967 127.755 118.700 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 8.566 8.380 0.158 0.000 0.000 207 K N -1.654 nan 120.400 nan 0.000 0.000 207 K HA 0.464 4.772 4.320 -0.021 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 5.489 4.420 -0.021 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 5.368 4.350 -0.021 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 4.676 4.350 -0.021 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 0.750 109.578 108.800 0.046 0.000 0.000 211 G HA2 0.020 3.967 3.960 -0.021 0.000 0.000 211 G HA3 0.020 3.967 3.960 -0.021 0.000 0.000 211 G C -2.695 172.195 174.900 -0.016 0.000 0.000 211 G CA 1.147 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 -0.253 177.338 177.584 0.011 0.000 1.036 212 A CA -0.488 51.521 52.037 -0.047 0.000 0.701 212 A CB 2.521 21.487 19.000 -0.057 0.000 1.250 212 A HN -0.702 7.471 8.150 0.038 0.000 0.412 213 V N -1.585 118.334 119.914 0.009 0.000 3.292 213 V HA 0.138 nan 4.120 nan 0.000 0.372 213 V C -0.858 175.231 176.094 -0.008 0.000 1.249 213 V CA -1.430 60.891 62.300 0.036 0.000 1.378 213 V CB -1.534 30.326 31.823 0.061 0.000 1.245 213 V HN 0.294 8.455 8.190 -0.048 0.000 0.467 214 E N 0.219 120.411 120.200 -0.014 0.000 2.637 214 E HA -0.366 nan 4.350 nan 0.000 0.231 214 E C -0.462 176.131 176.600 -0.012 0.000 1.226 214 E CA 0.878 57.267 56.400 -0.019 0.000 0.950 214 E CB -1.540 28.153 29.700 -0.012 0.000 1.049 214 E HN -0.526 7.722 8.360 -0.009 0.106 0.494 215 L N 4.386 125.598 121.223 -0.019 0.000 2.375 215 L HA 0.163 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 -0.745 54.089 54.840 -0.011 0.000 0.806 215 L CB 1.362 43.410 42.059 -0.018 0.000 1.146 215 L HN -0.414 7.797 8.230 -0.031 0.000 0.447 216 E N 1.734 121.936 120.200 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 -0.941 55.465 56.400 0.010 0.000 0.856 216 E CB 1.578 31.283 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 1.452 117.173 115.700 0.034 0.000 4.285 217 S HA -0.320 nan 4.470 nan 0.000 0.181 217 S C -1.829 172.830 174.600 0.099 0.000 0.439 217 S CA 1.029 59.267 58.200 0.063 0.000 1.314 217 S CB -0.873 62.365 63.200 0.063 0.000 1.972 217 S HN -0.158 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 33.760 31.700 0.088 0.000 1.377 219 F N -2.234 117.711 119.950 -0.007 0.000 2.612 219 F HA 0.203 nan 4.527 nan 0.000 0.332 219 F C -1.765 174.036 175.800 0.001 0.000 1.167 219 F CA -1.432 56.568 58.000 -0.001 0.000 0.970 219 F CB 2.681 41.681 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 3.472 124.101 120.570 0.097 0.000 2.337 220 I HA 0.207 nan 4.170 nan 0.000 0.291 220 I C -1.246 174.913 176.117 0.070 0.000 1.046 220 I CA -1.975 59.369 61.300 0.073 0.000 1.324 220 I CB -0.825 37.202 38.000 0.043 0.000 1.409 220 I HN -0.064 8.046 8.210 0.007 0.104 0.494 221 L N 8.820 130.093 121.223 0.083 0.000 2.307 221 L HA 0.472 nan 4.340 nan 0.000 0.282 221 L C -2.583 174.322 176.870 0.059 0.000 1.051 221 L CA -1.322 53.562 54.840 0.073 0.000 0.804 221 L CB 2.519 44.627 42.059 0.081 0.000 1.197 221 L HN 0.644 8.807 8.230 0.085 0.118 0.431 222 L N 5.439 126.690 121.223 0.046 0.000 2.341 222 L HA 0.587 nan 4.340 nan 0.000 0.278 222 L C -1.780 175.112 176.870 0.036 0.000 1.005 222 L CA -1.021 53.842 54.840 0.039 0.000 0.818 222 L CB 2.280 44.354 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 2.006 124.849 122.820 0.038 0.000 2.359 223 A HA 0.435 nan 4.320 nan 0.000 0.303 223 A C -2.225 175.379 177.584 0.032 0.000 1.066 223 A CA -1.430 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 0.312 8.487 8.150 0.043 0.000 0.439 224 D N 2.933 123.349 120.400 0.026 0.000 0.000 224 D HA 0.257 nan 4.640 nan 0.000 0.000 224 D C 0.391 176.709 176.300 0.029 0.000 0.000 224 D CA 0.311 54.326 54.000 0.025 0.000 0.000 224 D CB 1.764 42.575 40.800 0.019 0.000 0.000 224 D HN 0.196 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 5.005 4.320 -0.021 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 5.430 4.320 -0.021 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 5.144 4.170 -0.021 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 5.721 4.470 -0.021 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 5.821 4.740 -0.021 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 5.310 4.170 -0.021 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 5.579 4.340 -0.021 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 5.367 4.350 -0.021 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 5.595 4.480 -0.021 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 5.527 4.340 -0.021 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 5.653 4.420 -0.021 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 5.253 4.120 -0.021 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 5.698 4.340 -0.021 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 5.519 4.350 -0.021 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 5.527 4.320 -0.021 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 5.175 4.120 -0.021 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 5.631 4.320 -0.021 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 5.423 4.320 -0.021 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 5.276 4.320 -0.021 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 4.878 3.960 -0.021 0.000 0.000 244 G HA3 0.931 4.878 3.960 -0.021 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 5.432 4.320 -0.021 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 5.376 4.420 -0.021 0.000 0.000 246 P C -2.375 nan 177.300 nan 0.000 0.000 246 P CA 0.162 63.251 63.100 -0.019 0.000 0.000 246 P CB 0.426 nan 31.700 nan 0.000 0.000 247 L N -0.863 120.353 121.223 -0.012 0.000 0.000 247 L HA 0.436 4.764 4.340 -0.021 0.000 0.000 247 L C -2.567 174.304 176.870 0.001 0.000 0.000 247 L CA 0.471 55.313 54.840 0.004 0.000 0.000 247 L CB 2.156 44.212 42.059 -0.004 0.000 0.000 247 L HN -0.008 8.209 8.230 -0.021 0.000 0.000 248 L N 2.598 123.841 121.223 0.033 0.000 2.476 248 L HA 0.429 nan 4.340 nan 0.000 0.269 248 L C -1.969 174.924 176.870 0.038 0.000 0.965 248 L CA -0.207 54.642 54.840 0.015 0.000 0.845 248 L CB 3.099 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 5.514 126.098 120.570 0.023 0.000 2.433 249 I HA 0.607 nan 4.170 nan 0.000 0.292 249 I C -1.632 174.526 176.117 0.068 0.000 1.001 249 I CA -0.682 60.650 61.300 0.055 0.000 1.119 249 I CB 2.479 40.520 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 7.857 128.477 120.570 0.084 0.000 2.560 250 I HA 0.458 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 -1.276 60.090 61.300 0.110 0.000 1.086 250 I CB 1.097 39.178 38.000 0.136 0.000 1.202 250 I HN 0.220 8.475 8.210 0.075 0.000 0.471 251 A N 5.935 128.807 122.820 0.088 0.000 2.552 251 A HA 0.739 nan 4.320 nan 0.000 0.288 251 A C -1.948 175.679 177.584 0.072 0.000 1.193 251 A CA -1.759 50.319 52.037 0.069 0.000 0.713 251 A CB 3.348 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 -0.070 120.165 120.200 0.060 0.000 2.418 252 E HA -0.257 nan 4.350 nan 0.000 0.261 252 E C -0.670 175.968 176.600 0.063 0.000 1.070 252 E CA 0.081 56.518 56.400 0.060 0.000 0.931 252 E CB 0.914 30.644 29.700 0.050 0.000 0.954 252 E HN -0.105 8.287 8.360 0.052 0.000 0.439 253 D N 2.173 122.610 120.400 0.062 0.000 6.521 253 D HA -0.320 nan 4.640 nan 0.000 0.249 253 D C -0.677 175.656 176.300 0.054 0.000 1.546 253 D CA 0.840 54.874 54.000 0.058 0.000 1.189 253 D CB -0.760 40.064 40.800 0.041 0.000 1.515 253 D HN 0.142 8.549 8.370 0.061 0.000 0.872 254 V N 3.153 123.108 119.914 0.070 0.000 0.000 254 V HA -0.136 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 0.974 63.315 62.300 0.068 0.000 0.000 254 V CB 0.445 32.326 31.823 0.096 0.000 0.000 254 V HN 0.193 8.429 8.190 0.084 0.004 0.000 255 E N -1.006 nan 120.200 nan 0.000 0.000 255 E HA 0.660 4.998 4.350 -0.021 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 4.933 3.960 -0.021 0.000 0.000 256 G HA3 0.985 4.933 3.960 -0.021 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 5.356 4.350 -0.021 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 5.535 4.320 -0.021 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 5.448 4.340 -0.021 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 5.619 4.320 -0.021 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 5.379 4.350 -0.021 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 5.567 4.320 -0.021 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 5.172 4.120 -0.021 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 5.335 4.120 -0.021 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 5.910 4.740 -0.021 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 5.375 4.350 -0.021 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 5.677 4.480 -0.021 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 5.343 4.340 -0.021 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 4.915 3.960 -0.021 0.000 0.000 269 G HA3 0.967 4.915 3.960 -0.021 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 5.245 4.170 -0.021 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 5.387 4.120 -0.021 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 5.572 4.320 -0.021 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 5.085 4.120 -0.021 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 5.626 4.320 -0.021 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 5.058 4.320 -0.021 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 -4.960 115.007 119.914 0.089 0.000 0.000 276 V HA 0.315 4.422 4.120 -0.021 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 1.819 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 0.583 121.099 120.400 0.192 0.000 2.238 277 K HA 0.471 nan 4.320 nan 0.000 0.239 277 K C -0.961 175.746 176.600 0.178 0.000 0.987 277 K CA -1.378 55.008 56.287 0.165 0.000 0.857 277 K CB 3.120 35.706 32.500 0.144 0.000 1.154 277 K HN 0.196 8.574 8.250 0.213 0.000 0.439 278 A N 2.184 125.064 122.820 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 -1.700 50.346 52.037 0.016 0.000 0.781 278 A CB -0.665 18.335 19.000 0.001 0.000 1.020 278 A HN 0.289 8.379 8.150 0.090 0.114 0.494 279 P HA 0.070 nan 4.420 nan 0.000 0.286 279 P C -0.349 176.914 177.300 -0.061 0.000 1.261 279 P CA 0.054 63.078 63.100 -0.127 0.000 0.821 279 P CB 1.106 32.581 31.700 -0.376 0.000 1.013 280 G N 2.472 111.281 108.800 0.016 0.000 2.601 280 G HA2 -0.338 nan 3.960 nan 0.000 0.261 280 G HA3 -0.338 nan 3.960 nan 0.000 0.261 280 G C -2.186 172.795 174.900 0.135 0.000 1.289 280 G CA 0.250 45.360 45.100 0.017 0.000 0.920 280 G HN 0.154 8.476 8.290 0.053 0.000 0.571 281 F N -4.381 115.566 119.950 -0.005 0.000 2.831 281 F HA 0.248 nan 4.527 nan 0.000 0.318 281 F C -1.351 174.452 175.800 0.005 0.000 1.174 281 F CA -2.253 55.748 58.000 0.002 0.000 0.918 281 F CB 1.404 40.412 39.000 0.012 0.000 1.364 281 F HN -0.307 7.711 8.300 -0.470 0.000 0.475 282 G N -0.411 108.587 108.800 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 0.236 175.156 174.900 0.034 0.000 1.225 282 G CA 1.039 46.249 45.100 0.183 0.000 0.966 282 G HN 0.189 8.724 8.290 0.408 0.000 0.560 283 D N 2.136 122.533 120.400 -0.006 0.000 2.265 283 D HA -0.223 nan 4.640 nan 0.000 0.208 283 D C 2.027 178.289 176.300 -0.063 0.000 0.977 283 D CA 3.142 57.127 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 -0.408 120.019 120.500 -0.121 0.000 2.092 284 R HA -0.324 nan 4.340 nan 0.000 0.226 284 R C 1.549 177.781 176.300 -0.113 0.000 1.140 284 R CA 4.194 60.202 56.100 -0.153 0.000 0.910 284 R CB 0.134 30.273 30.300 -0.269 0.000 0.822 284 R HN -0.315 7.811 8.270 -0.155 0.052 0.433 285 R N -1.835 118.612 120.500 -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 58.900 56.100 -0.061 0.000 0.979 285 R CB -0.817 29.487 30.300 0.006 0.000 0.869 285 R HN 0.310 8.481 8.270 -0.094 0.043 0.452 286 K N -0.773 119.607 120.400 -0.033 0.000 1.985 286 K HA -0.305 nan 4.320 nan 0.000 0.210 286 K C 2.331 178.907 176.600 -0.039 0.000 1.047 286 K CA 2.878 59.151 56.287 -0.024 0.000 0.932 286 K CB -0.371 32.123 32.500 -0.010 0.000 0.716 286 K HN -0.737 7.472 8.250 -0.027 0.025 0.439 287 A N -0.941 121.850 122.820 -0.049 0.000 1.865 287 A HA -0.272 nan 4.320 nan 0.000 0.217 287 A C 2.429 179.972 177.584 -0.068 0.000 1.191 287 A CA 2.873 54.878 52.037 -0.053 0.000 0.623 287 A CB -0.739 18.227 19.000 -0.056 0.000 0.826 287 A HN -0.212 7.907 8.150 -0.051 0.000 0.444 288 M N -3.145 116.398 119.600 -0.096 0.000 2.260 288 M HA -0.397 nan 4.480 nan 0.000 0.261 288 M C 2.071 178.299 176.300 -0.120 0.000 1.066 288 M CA 3.863 59.085 55.300 -0.130 0.000 1.082 288 M CB -0.325 32.156 32.600 -0.198 0.000 1.388 288 M HN -0.246 7.984 8.290 -0.100 0.000 0.419 289 L N -2.661 118.508 121.223 -0.089 0.000 2.109 289 L HA -0.315 nan 4.340 nan 0.000 0.207 289 L C 2.119 178.966 176.870 -0.039 0.000 1.086 289 L CA 2.697 57.501 54.840 -0.060 0.000 0.760 289 L CB -0.532 41.506 42.059 -0.035 0.000 0.910 289 L HN -0.539 7.499 8.230 -0.080 0.143 0.437 290 Q N -0.845 118.933 119.800 -0.037 0.000 2.389 290 Q HA -0.242 nan 4.340 nan 0.000 0.204 290 Q C 2.207 178.189 176.000 -0.031 0.000 0.944 290 Q CA 2.773 58.559 55.803 -0.027 0.000 0.908 290 Q CB -0.269 28.455 28.738 -0.023 0.000 1.002 290 Q HN -0.149 7.991 8.270 -0.043 0.104 0.493 291 D N 1.800 122.175 120.400 -0.042 0.000 2.113 291 D HA -0.163 nan 4.640 nan 0.000 0.206 291 D C 2.213 178.495 176.300 -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 40.562 40.800 -0.055 0.000 1.013 291 D HN 0.031 8.215 8.370 -0.053 0.154 0.455 292 I N 0.209 120.757 120.570 -0.037 0.000 2.229 292 I HA -0.593 nan 4.170 nan 0.000 0.250 292 I C 1.628 177.742 176.117 -0.004 0.000 1.096 292 I CA 3.728 65.023 61.300 -0.008 0.000 1.358 292 I CB -0.429 37.569 38.000 -0.004 0.000 1.047 292 I HN 0.144 8.213 8.210 -0.062 0.104 0.422 293 A N -1.348 121.463 122.820 -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 -0.027 7.932 8.150 -0.021 0.178 0.445 294 T N -2.099 112.442 114.554 -0.021 0.000 2.822 294 T HA -0.356 nan 4.350 nan 0.000 0.270 294 T C 1.507 176.194 174.700 -0.022 0.000 1.064 294 T CA 2.947 65.034 62.100 -0.022 0.000 1.131 294 T CB -0.583 68.273 68.868 -0.020 0.000 0.858 294 T HN -0.270 7.788 8.240 -0.021 0.169 0.483 295 L N 0.405 121.618 121.223 -0.017 0.000 1.973 295 L HA -0.120 nan 4.340 nan 0.000 0.208 295 L C 1.249 178.106 176.870 -0.020 0.000 1.073 295 L CA 2.204 57.037 54.840 -0.012 0.000 0.746 295 L CB -0.282 41.779 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 -2.781 111.760 114.554 -0.022 0.000 3.160 296 T HA -0.047 nan 4.350 nan 0.000 0.257 296 T C 0.903 175.559 174.700 -0.075 0.000 1.147 296 T CA 2.158 64.233 62.100 -0.043 0.000 1.064 296 T CB -0.207 68.641 68.868 -0.032 0.000 0.949 296 T HN 0.318 8.444 8.240 -0.013 0.106 0.526 297 G N -1.453 107.310 108.800 -0.061 0.000 2.307 297 G HA2 -0.343 nan 3.960 nan 0.000 0.210 297 G HA3 -0.343 nan 3.960 nan 0.000 0.210 297 G C 0.048 174.913 174.900 -0.057 0.000 1.005 297 G CA -0.022 45.035 45.100 -0.072 0.000 0.634 297 G HN -0.013 8.075 8.290 -0.043 0.176 0.496 298 G N 0.782 109.553 108.800 -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 0.729 175.613 174.900 -0.027 0.000 1.191 298 G CA 1.454 46.535 45.100 -0.031 0.000 0.953 298 G HN -0.270 7.896 8.290 -0.053 0.092 0.557 299 T N -3.923 110.619 114.554 -0.019 0.000 12.380 299 T HA -0.404 nan 4.350 nan 0.000 0.415 299 T C 0.624 175.323 174.700 -0.002 0.000 1.471 299 T CA 1.707 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 0.248 8.477 8.240 -0.020 0.000 0.798 300 V N 3.866 123.781 119.914 0.001 0.000 2.924 300 V HA -0.054 nan 4.120 nan 0.000 0.305 300 V C -0.258 175.841 176.094 0.008 0.000 1.073 300 V CA 1.619 63.926 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 -4.040 116.538 120.570 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 -0.807 37.196 38.000 0.004 0.000 3.277 301 I HN 0.076 8.296 8.210 0.017 0.000 0.916 302 S N 0.975 116.687 115.700 0.020 0.000 0.000 302 S HA -0.329 nan 4.470 nan 0.000 0.000 302 S C 0.833 175.446 174.600 0.021 0.000 0.000 302 S CA 1.580 59.794 58.200 0.023 0.000 0.000 302 S CB 0.340 63.557 63.200 0.029 0.000 0.000 302 S HN -0.031 8.292 8.310 0.022 0.000 0.000 303 E N -1.078 nan 120.200 nan 0.000 0.000 303 E HA 0.691 5.028 4.350 -0.021 0.000 0.000 303 E C -1.135 nan 176.600 nan 0.000 0.000 303 E CA -0.133 56.281 56.400 0.022 0.000 0.000 303 E CB 0.534 nan 29.700 nan 0.000 0.000 303 E HN 0.707 nan 8.360 nan 0.000 0.000 304 E N -2.402 nan 120.200 nan 0.000 0.000 304 E HA 1.076 5.414 4.350 -0.021 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 5.085 4.170 -0.021 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 5.008 3.960 -0.021 0.000 0.000 306 G HA3 1.061 5.008 3.960 -0.021 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 5.626 4.480 -0.021 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 5.512 4.350 -0.021 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 5.467 4.340 -0.021 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 5.499 4.350 -0.021 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 5.413 4.320 -0.021 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 5.470 4.320 -0.021 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 5.333 4.350 -0.021 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 5.307 4.340 -0.021 0.000 0.000 314 L C -0.070 nan 176.870 nan 0.000 0.000 314 L CA 0.549 55.408 54.840 0.032 0.000 0.000 314 L CB 0.514 nan 42.059 nan 0.000 0.000 314 L HN 1.357 nan 8.230 nan 0.000 0.000 315 E N -1.647 118.585 120.200 0.054 0.000 0.000 315 E HA 0.025 4.362 4.350 -0.021 0.000 0.000 315 E C -0.422 176.246 176.600 0.113 0.000 0.000 315 E CA 1.201 57.652 56.400 0.085 0.000 0.000 315 E CB 0.387 30.138 29.700 0.084 0.000 0.000 315 E HN 0.944 9.332 8.360 0.047 0.000 0.000 316 D N 0.189 120.640 120.400 0.085 0.000 3.965 316 D HA -0.394 nan 4.640 nan 0.000 0.448 316 D C 0.193 176.528 176.300 0.059 0.000 0.565 316 D CA 1.233 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 0.175 8.588 8.370 0.070 0.000 0.258 317 L N -2.846 118.399 121.223 0.037 0.000 5.621 317 L HA -0.448 nan 4.340 nan 0.000 0.281 317 L C -0.883 175.910 176.870 -0.127 0.000 1.106 317 L CA 0.624 55.465 54.840 0.003 0.000 1.259 317 L CB -0.389 41.752 42.059 0.137 0.000 2.049 317 L HN 0.169 8.421 8.230 0.037 0.000 0.852 318 G N -4.985 103.709 108.800 -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 -1.003 173.640 174.900 -0.429 0.000 1.253 318 G CA -0.556 44.406 45.100 -0.230 0.000 0.974 318 G HN -0.482 7.747 8.290 -0.103 0.000 0.483 319 Q N 0.429 120.006 119.800 -0.370 0.000 2.596 319 Q HA 0.010 nan 4.340 nan 0.000 0.190 319 Q C -0.383 175.553 176.000 -0.107 0.000 0.905 319 Q CA -0.426 55.148 55.803 -0.383 0.000 0.846 319 Q CB 1.575 30.102 28.738 -0.351 0.000 1.117 319 Q HN 0.654 8.776 8.270 -0.246 0.000 0.630 320 A N -1.774 121.001 122.820 -0.074 0.000 2.435 320 A HA -0.265 nan 4.320 nan 0.000 0.686 320 A C -0.944 176.642 177.584 0.003 0.000 0.138 320 A CA 0.240 52.263 52.037 -0.024 0.000 0.024 320 A CB -0.173 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 1.612 122.014 120.400 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 1.936 58.229 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 -6.926 113.576 120.500 0.003 0.000 2.710 322 R HA 0.527 nan 4.340 nan 0.000 0.270 322 R C -2.031 174.261 176.300 -0.015 0.000 1.021 322 R CA -0.894 55.204 56.100 -0.003 0.000 0.889 322 R CB 4.421 34.717 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 -0.356 119.542 119.914 -0.026 0.000 2.962 323 V HA 0.480 nan 4.120 nan 0.000 0.313 323 V C -1.278 174.780 176.094 -0.059 0.000 1.099 323 V CA -1.125 61.145 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 1.415 121.277 119.914 -0.086 0.000 3.070 324 V HA 0.216 nan 4.120 nan 0.000 0.355 324 V C -0.290 175.730 176.094 -0.124 0.000 1.400 324 V CA -0.853 61.397 62.300 -0.083 0.000 1.170 324 V CB -0.108 31.678 31.823 -0.062 0.000 1.169 324 V HN 0.213 8.338 8.190 -0.109 0.000 0.554 325 I N 1.046 121.525 120.570 -0.152 0.000 3.331 325 I HA -0.297 nan 4.170 nan 0.000 0.305 325 I C -0.764 175.179 176.117 -0.288 0.000 1.229 325 I CA 1.518 62.695 61.300 -0.205 0.000 1.406 325 I CB -0.005 37.903 38.000 -0.155 0.000 1.310 325 I HN -0.291 7.837 8.210 -0.136 0.000 0.579 326 N N 1.418 119.845 118.700 -0.456 0.000 3.836 326 N HA 0.088 nan 4.740 nan 0.000 0.229 326 N C -2.079 172.973 175.510 -0.763 0.000 1.375 326 N CA -0.554 52.009 53.050 -0.813 0.000 0.838 326 N CB 1.704 39.924 38.487 -0.444 0.000 1.447 326 N HN -0.182 7.975 8.380 -0.371 0.000 0.458 327 K N -0.931 118.992 120.400 -0.795 0.000 2.412 327 K HA -0.119 nan 4.320 nan 0.000 0.281 327 K C -0.720 175.804 176.600 -0.127 0.000 1.027 327 K CA 1.525 57.698 56.287 -0.190 0.000 0.989 327 K CB -0.391 32.167 32.500 0.098 0.000 0.935 327 K HN 0.372 8.056 8.250 -0.944 0.000 0.475 328 D N -2.345 118.024 120.400 -0.052 0.000 2.074 328 D HA -0.242 nan 4.640 nan 0.000 0.214 328 D C -0.938 175.331 176.300 -0.051 0.000 1.279 328 D CA 2.005 55.985 54.000 -0.033 0.000 1.539 328 D CB -0.734 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 -3.813 110.669 114.554 -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 3.986 72.774 68.868 -0.134 0.000 1.317 329 T HN -0.678 7.483 8.240 -0.162 -0.018 0.538 330 T N 2.191 116.522 114.554 -0.372 0.000 4.445 330 T HA 0.152 nan 4.350 nan 0.000 0.365 330 T C -2.487 171.930 174.700 -0.473 0.000 0.885 330 T CA 0.419 62.233 62.100 -0.477 0.000 0.987 330 T CB 1.434 69.882 68.868 -0.699 0.000 1.150 330 T HN 0.051 8.090 8.240 -0.335 0.000 0.464 331 T N 5.166 119.563 114.554 -0.261 0.000 2.832 331 T HA 0.446 nan 4.350 nan 0.000 0.313 331 T C -0.103 174.537 174.700 -0.099 0.000 1.035 331 T CA -2.459 59.546 62.100 -0.158 0.000 0.950 331 T CB -0.000 68.812 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 7.437 127.972 120.570 -0.060 0.000 2.389 332 I HA -0.063 nan 4.170 nan 0.000 0.295 332 I C 0.276 176.390 176.117 -0.005 0.000 1.117 332 I CA 0.395 61.688 61.300 -0.011 0.000 1.317 332 I CB -0.376 37.651 38.000 0.044 0.000 1.431 332 I HN 0.466 8.713 8.210 -0.058 -0.072 0.521 333 I N 8.079 128.641 120.570 -0.013 0.000 2.439 333 I HA -0.251 nan 4.170 nan 0.000 0.251 333 I C -0.524 175.590 176.117 -0.005 0.000 1.139 333 I CA 2.537 63.832 61.300 -0.010 0.000 1.438 333 I CB 0.424 38.415 38.000 -0.014 0.000 1.085 333 I HN -0.004 8.194 8.210 -0.020 0.000 0.427 334 D N -1.164 119.233 120.400 -0.005 0.000 2.365 334 D HA 0.095 nan 4.640 nan 0.000 0.235 334 D C -0.209 176.084 176.300 -0.011 0.000 1.368 334 D CA -0.824 53.172 54.000 -0.007 0.000 1.001 334 D CB 2.152 42.948 40.800 -0.007 0.000 1.364 334 D HN -0.621 7.746 8.370 -0.005 0.000 0.577 335 G N 2.958 111.751 108.800 -0.010 0.000 2.684 335 G HA2 0.232 nan 3.960 nan 0.000 0.255 335 G HA3 0.232 nan 3.960 nan 0.000 0.255 335 G C -0.242 174.642 174.900 -0.027 0.000 1.219 335 G CA -0.108 44.982 45.100 -0.017 0.000 0.901 335 G HN 0.207 8.356 8.290 -0.006 0.137 0.548 336 V N -5.528 114.363 119.914 -0.038 0.000 3.392 336 V HA 0.246 nan 4.120 nan 0.000 0.294 336 V C 0.499 176.567 176.094 -0.042 0.000 1.561 336 V CA -0.498 61.775 62.300 -0.045 0.000 1.056 336 V CB 0.789 32.570 31.823 -0.070 0.000 0.882 336 V HN -0.473 7.693 8.190 -0.040 0.000 0.440 337 G N 1.407 110.184 108.800 -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 -0.643 174.242 174.900 -0.025 0.000 1.288 337 G CA -0.089 44.991 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 4.472 124.658 120.200 -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 0.469 56.858 56.400 -0.018 0.000 0.951 338 E CB -0.515 29.175 29.700 -0.016 0.000 0.955 338 E HN 0.048 8.392 8.360 -0.026 0.000 0.515 339 E N 7.514 127.705 120.200 -0.014 0.000 2.240 339 E HA -0.550 nan 4.350 nan 0.000 0.236 339 E C 1.479 178.072 176.600 -0.011 0.000 1.085 339 E CA 3.654 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 0.081 8.432 8.360 -0.014 0.000 0.483 340 A N -2.145 120.668 122.820 -0.010 0.000 1.927 340 A HA -0.265 nan 4.320 nan 0.000 0.220 340 A C 2.082 179.660 177.584 -0.011 0.000 1.185 340 A CA 2.814 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 -1.145 121.668 122.820 -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 18.190 19.000 -0.015 0.000 0.826 341 A HN 0.179 8.225 8.150 -0.012 0.096 0.444 342 I N -2.500 118.062 120.570 -0.014 0.000 2.530 342 I HA -0.595 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 3.411 64.702 61.300 -0.014 0.000 1.440 342 I CB -0.353 37.639 38.000 -0.013 0.000 1.087 342 I HN -0.510 7.632 8.210 -0.015 0.059 0.440 343 Q N -0.781 119.013 119.800 -0.011 0.000 2.016 343 Q HA -0.284 nan 4.340 nan 0.000 0.200 343 Q C 2.729 178.722 176.000 -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 28.480 28.738 -0.009 0.000 0.895 343 Q HN 0.466 8.539 8.270 -0.011 0.190 0.427 344 G N -1.973 106.821 108.800 -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 1.563 176.456 174.900 -0.012 0.000 1.114 344 G CA 1.616 46.710 45.100 -0.011 0.000 0.757 344 G HN 0.374 8.658 8.290 -0.011 0.000 0.559 345 R N 1.064 121.556 120.500 -0.014 0.000 2.055 345 R HA -0.172 nan 4.340 nan 0.000 0.228 345 R C 2.203 178.493 176.300 -0.017 0.000 1.143 345 R CA 1.584 57.674 56.100 -0.016 0.000 0.945 345 R CB -1.326 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 -0.024 119.881 119.914 -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 3.838 66.128 62.300 -0.016 0.000 1.022 346 V CB -0.994 30.820 31.823 -0.014 0.000 0.640 346 V HN -0.591 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 1.705 179.282 177.584 -0.011 0.000 1.182 347 A CA 3.472 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 8.125 8.150 -0.012 0.000 0.448 348 Q N -0.559 119.234 119.800 -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 7.599 8.270 -0.013 0.090 0.421 349 I N 0.063 120.623 120.570 -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 3.750 65.038 61.300 -0.020 0.000 1.385 349 I CB -0.399 37.586 38.000 -0.025 0.000 1.064 349 I HN -0.268 7.850 8.210 -0.017 0.082 0.414 350 R N -0.648 119.842 120.500 -0.016 0.000 2.094 350 R HA -0.489 nan 4.340 nan 0.000 0.239 350 R C 2.655 178.949 176.300 -0.010 0.000 1.137 350 R CA 4.239 60.331 56.100 -0.013 0.000 0.943 350 R CB -0.359 29.933 30.300 -0.012 0.000 0.850 350 R HN 0.202 8.280 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 0.244 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 3.013 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 -1.149 119.417 120.570 -0.008 0.000 2.194 353 I HA -0.531 nan 4.170 nan 0.000 0.246 353 I C 2.326 178.442 176.117 -0.001 0.000 1.093 353 I CA 3.462 64.758 61.300 -0.005 0.000 1.355 353 I CB -0.586 37.408 38.000 -0.009 0.000 1.046 353 I HN 0.274 8.469 8.210 -0.011 0.008 0.413 354 E N 1.070 121.269 120.200 -0.002 0.000 2.130 354 E HA -0.277 nan 4.350 nan 0.000 0.196 354 E C 0.903 177.503 176.600 0.001 0.000 0.998 354 E CA 2.905 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 0.281 8.529 8.360 -0.004 0.109 0.459 355 E N -4.003 116.198 120.200 0.000 0.000 2.444 355 E HA 0.065 nan 4.350 nan 0.000 0.191 355 E C -0.170 176.433 176.600 0.004 0.000 1.041 355 E CA -1.234 55.167 56.400 0.002 0.000 0.883 355 E CB -0.383 29.317 29.700 0.000 0.000 1.024 355 E HN -0.243 8.007 8.360 -0.001 0.109 0.470 356 A N 0.963 123.786 122.820 0.006 0.000 2.728 356 A HA 0.068 nan 4.320 nan 0.000 0.258 356 A C -0.444 177.150 177.584 0.017 0.000 1.454 356 A CA -0.433 51.611 52.037 0.012 0.000 1.146 356 A CB -1.770 17.237 19.000 0.012 0.000 0.985 356 A HN -0.026 7.880 8.150 0.004 0.247 0.603 357 T N -3.230 111.331 114.554 0.012 0.000 12.844 357 T HA -0.496 nan 4.350 nan 0.000 0.417 357 T C 0.429 175.138 174.700 0.014 0.000 1.443 357 T CA 2.397 64.504 62.100 0.012 0.000 2.363 357 T CB -1.135 67.739 68.868 0.011 0.000 2.817 357 T HN 0.054 8.182 8.240 0.009 0.117 0.709 358 S N 1.462 117.175 115.700 0.021 0.000 3.930 358 S HA 0.118 nan 4.470 nan 0.000 0.291 358 S C -2.289 172.338 174.600 0.045 0.000 1.078 358 S CA -0.770 57.445 58.200 0.026 0.000 1.259 358 S CB 1.579 64.788 63.200 0.016 0.000 1.724 358 S HN -0.438 7.888 8.310 0.026 0.000 0.513 359 D N 2.520 122.944 120.400 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 1.389 55.420 54.000 0.051 0.000 0.815 359 D CB -0.330 40.463 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 3.609 123.904 120.300 -0.009 0.000 3.298 360 Y HA -0.654 nan 4.550 nan 0.000 0.479 360 Y C -0.360 175.528 175.900 -0.019 0.000 0.905 360 Y CA 1.997 60.089 58.100 -0.013 0.000 2.986 360 Y CB -1.170 37.283 38.460 -0.011 0.000 0.768 360 Y HN 0.181 8.567 8.280 0.177 0.000 0.564 361 D N -1.661 118.993 120.400 0.423 0.000 2.411 361 D HA -0.350 nan 4.640 nan 0.000 0.226 361 D C 1.884 178.184 176.300 0.000 0.000 0.988 361 D CA 2.430 56.532 54.000 0.169 0.000 0.938 361 D CB -1.113 39.788 40.800 0.170 0.000 0.883 361 D HN 0.464 8.993 8.370 0.381 0.070 0.525 362 R N -0.351 120.150 120.500 0.002 0.000 2.173 362 R HA -0.115 nan 4.340 nan 0.000 0.208 362 R C 1.434 177.689 176.300 -0.074 0.000 1.035 362 R CA 1.691 57.775 56.100 -0.026 0.000 1.004 362 R CB -0.197 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 -0.398 119.726 120.200 -0.127 0.000 2.012 363 E HA -0.328 nan 4.350 nan 0.000 0.197 363 E C 2.123 178.608 176.600 -0.192 0.000 1.007 363 E CA 3.085 59.378 56.400 -0.178 0.000 0.816 363 E CB -0.678 28.853 29.700 -0.281 0.000 0.762 363 E HN 0.267 8.419 8.360 -0.112 0.141 0.451 364 K N -1.948 118.291 120.400 -0.268 0.000 2.147 364 K HA -0.239 nan 4.320 nan 0.000 0.205 364 K C 2.412 178.937 176.600 -0.125 0.000 1.049 364 K CA 2.775 58.940 56.287 -0.203 0.000 0.936 364 K CB -0.674 31.690 32.500 -0.226 0.000 0.722 364 K HN -0.575 7.436 8.250 -0.398 0.000 0.446 365 L N -3.333 117.829 121.223 -0.102 0.000 2.610 365 L HA -0.190 nan 4.340 nan 0.000 0.232 365 L C 0.220 177.057 176.870 -0.055 0.000 1.149 365 L CA 1.189 55.990 54.840 -0.065 0.000 0.872 365 L CB -0.574 41.459 42.059 -0.044 0.000 0.992 365 L HN -0.528 7.515 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 -0.026 nan 4.340 nan 0.000 0.231 366 Q C 1.740 177.710 176.000 -0.050 0.000 0.894 366 Q CA 1.416 57.190 55.803 -0.048 0.000 0.938 366 Q CB 1.321 30.032 28.738 -0.044 0.000 1.079 366 Q HN -0.054 7.965 8.270 -0.083 0.201 0.552 367 E N 1.216 121.376 120.200 -0.067 0.000 2.158 367 E HA -0.234 nan 4.350 nan 0.000 0.191 367 E C 1.938 178.505 176.600 -0.055 0.000 0.982 367 E CA 2.500 58.864 56.400 -0.061 0.000 0.823 367 E CB 0.166 29.816 29.700 -0.083 0.000 0.766 367 E HN 0.361 8.480 8.360 -0.086 0.189 0.468 368 R N -1.717 118.744 120.500 -0.065 0.000 2.297 368 R HA -0.006 nan 4.340 nan 0.000 0.197 368 R C 1.680 177.954 176.300 -0.045 0.000 0.943 368 R CA 1.652 57.715 56.100 -0.061 0.000 1.038 368 R CB 0.526 30.780 30.300 -0.077 0.000 0.957 368 R HN -0.015 8.105 8.270 -0.074 0.105 0.484 369 V N -6.361 113.530 119.914 -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 1.342 63.626 62.300 -0.028 0.000 1.101 369 V CB -0.381 31.426 31.823 -0.026 0.000 0.743 369 V HN -0.756 7.363 8.190 -0.041 0.047 0.468 370 A N 0.376 123.184 122.820 -0.020 0.000 2.019 370 A HA -0.251 nan 4.320 nan 0.000 0.219 370 A C 0.888 178.470 177.584 -0.004 0.000 1.164 370 A CA 3.165 55.195 52.037 -0.012 0.000 0.644 370 A CB -0.729 18.263 19.000 -0.013 0.000 0.805 370 A HN -0.437 7.697 8.150 -0.027 0.000 0.449 371 K N -4.030 116.368 120.400 -0.004 0.000 2.098 371 K HA -0.128 nan 4.320 nan 0.000 0.203 371 K C 2.186 178.791 176.600 0.009 0.000 1.051 371 K CA 2.345 58.638 56.287 0.011 0.000 0.957 371 K CB -0.074 32.435 32.500 0.015 0.000 0.738 371 K HN -0.306 7.894 8.250 -0.013 0.043 0.447 372 L N -0.618 120.604 121.223 -0.003 0.000 2.007 372 L HA -0.136 nan 4.340 nan 0.000 0.205 372 L C 1.420 178.288 176.870 -0.004 0.000 1.073 372 L CA 2.228 57.065 54.840 -0.004 0.000 0.744 372 L CB 0.452 42.504 42.059 -0.012 0.000 0.898 372 L HN -0.592 7.632 8.230 -0.010 0.000 0.435 373 A N -2.546 120.270 122.820 -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 0.356 52.389 52.037 -0.007 0.000 1.362 373 A CB -1.931 17.063 19.000 -0.009 0.000 1.137 373 A HN 0.168 8.218 8.150 -0.010 0.094 0.617 374 G N -0.806 107.994 108.800 -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 -0.613 174.288 174.900 0.002 0.000 1.420 374 G CA 0.194 45.294 45.100 0.000 0.000 0.942 374 G HN -0.451 7.781 8.290 -0.001 0.058 0.606 375 G N 1.521 110.324 108.800 0.005 0.000 2.877 375 G HA2 -0.422 nan 3.960 nan 0.000 0.279 375 G HA3 -0.422 nan 3.960 nan 0.000 0.279 375 G C -1.468 173.435 174.900 0.006 0.000 1.431 375 G CA -0.000 45.102 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 -1.494 118.423 119.914 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 -1.041 61.260 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 2.375 125.193 122.820 -0.003 0.000 2.646 377 A HA 0.439 nan 4.320 nan 0.000 0.312 377 A C -1.892 175.687 177.584 -0.009 0.000 1.245 377 A CA -1.010 51.024 52.037 -0.006 0.000 0.755 377 A CB 1.196 20.192 19.000 -0.006 0.000 1.132 377 A HN 0.093 8.241 8.150 -0.003 0.000 0.458 378 V N 5.304 125.212 119.914 -0.009 0.000 2.488 378 V HA 0.292 nan 4.120 nan 0.000 0.277 378 V C -1.053 175.033 176.094 -0.013 0.000 1.046 378 V CA 0.247 62.541 62.300 -0.011 0.000 0.986 378 V CB 0.706 32.524 31.823 -0.009 0.000 0.989 378 V HN 0.332 8.517 8.190 -0.008 0.000 0.475 379 I N 9.156 129.716 120.570 -0.017 0.000 2.336 379 I HA 0.261 nan 4.170 nan 0.000 0.292 379 I C -1.370 174.736 176.117 -0.018 0.000 0.991 379 I CA -0.777 60.511 61.300 -0.019 0.000 1.227 379 I CB 1.613 39.597 38.000 -0.027 0.000 1.366 379 I HN 0.587 8.679 8.210 -0.019 0.106 0.466 380 K N 7.511 127.903 120.400 -0.015 0.000 2.419 380 K HA 0.414 nan 4.320 nan 0.000 0.244 380 K C -0.436 176.157 176.600 -0.013 0.000 1.045 380 K CA -1.671 54.608 56.287 -0.013 0.000 1.004 380 K CB -0.860 31.635 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 0.953 120.858 119.914 -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 -0.147 62.144 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 -1.703 107.091 108.800 -0.011 0.000 2.690 382 G HA2 0.408 nan 3.960 nan 0.000 0.293 382 G HA3 0.408 nan 3.960 nan 0.000 0.293 382 G C -2.880 172.015 174.900 -0.008 0.000 1.399 382 G CA -0.886 44.209 45.100 -0.008 0.000 0.890 382 G HN -0.439 7.930 8.290 -0.012 -0.087 0.485 383 A N -0.810 122.007 122.820 -0.006 0.000 4.989 383 A HA 0.197 nan 4.320 nan 0.000 0.238 383 A C -1.741 175.840 177.584 -0.005 0.000 0.962 383 A CA 0.473 52.507 52.037 -0.005 0.000 0.608 383 A CB 0.704 19.701 19.000 -0.005 0.000 1.893 383 A HN -0.420 7.726 8.150 -0.006 0.000 0.923 384 A N -1.587 121.231 122.820 -0.004 0.000 2.016 384 A HA 0.113 nan 4.320 nan 0.000 0.202 384 A C 0.003 177.585 177.584 -0.003 0.000 1.632 384 A CA 0.899 52.934 52.037 -0.003 0.000 0.891 384 A CB 0.474 19.472 19.000 -0.003 0.000 1.103 384 A HN 0.312 8.460 8.150 -0.004 0.000 0.547 385 T N 0.206 114.758 114.554 -0.003 0.000 2.909 385 T HA 0.140 nan 4.350 nan 0.000 0.289 385 T C 0.813 175.511 174.700 -0.003 0.000 1.005 385 T CA -0.370 61.729 62.100 -0.003 0.000 1.084 385 T CB 1.161 70.027 68.868 -0.002 0.000 0.975 385 T HN -0.371 7.867 8.240 -0.003 0.000 0.509 386 E N 3.196 123.395 120.200 -0.003 0.000 2.110 386 E HA -0.355 nan 4.350 nan 0.000 0.193 386 E C 1.636 178.234 176.600 -0.002 0.000 0.988 386 E CA 3.131 59.529 56.400 -0.003 0.000 0.804 386 E CB 0.062 29.760 29.700 -0.002 0.000 0.745 386 E HN 0.435 8.794 8.360 -0.003 0.000 0.458 387 V N 0.338 120.251 119.914 -0.002 0.000 2.214 387 V HA -0.326 nan 4.120 nan 0.000 0.247 387 V C 2.162 178.255 176.094 -0.002 0.000 1.051 387 V CA 3.946 66.245 62.300 -0.001 0.000 1.003 387 V CB -0.659 31.163 31.823 -0.001 0.000 0.635 387 V HN -0.017 8.171 8.190 -0.002 0.001 0.447 388 E N -1.278 118.921 120.200 -0.002 0.000 2.171 388 E HA -0.335 nan 4.350 nan 0.000 0.197 388 E C 2.357 178.955 176.600 -0.004 0.000 0.997 388 E CA 2.930 59.329 56.400 -0.003 0.000 0.810 388 E CB -0.452 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 -0.470 119.127 119.600 -0.004 0.000 2.229 389 M HA -0.234 nan 4.480 nan 0.000 0.264 389 M C 1.821 178.118 176.300 -0.005 0.000 1.063 389 M CA 2.726 58.023 55.300 -0.005 0.000 1.114 389 M CB -0.167 32.431 32.600 -0.004 0.000 1.387 389 M HN 0.266 8.306 8.290 -0.003 0.248 0.420 390 K N -0.284 120.115 120.400 -0.003 0.000 2.116 390 K HA -0.248 nan 4.320 nan 0.000 0.203 390 K C 2.214 178.813 176.600 -0.002 0.000 1.052 390 K CA 2.607 58.893 56.287 -0.002 0.000 0.952 390 K CB -0.587 31.913 32.500 -0.000 0.000 0.729 390 K HN 0.298 8.401 8.250 -0.002 0.146 0.446 391 E N -0.711 119.488 120.200 -0.002 0.000 2.106 391 E HA -0.315 nan 4.350 nan 0.000 0.192 391 E C 2.338 178.935 176.600 -0.004 0.000 0.984 391 E CA 3.325 59.724 56.400 -0.002 0.000 0.806 391 E CB -0.420 29.279 29.700 -0.001 0.000 0.750 391 E HN -0.517 7.841 8.360 -0.002 0.000 0.458 392 K N -0.224 120.172 120.400 -0.007 0.000 2.026 392 K HA -0.348 nan 4.320 nan 0.000 0.208 392 K C 1.740 178.331 176.600 -0.015 0.000 1.048 392 K CA 3.304 59.585 56.287 -0.011 0.000 0.929 392 K CB -0.080 32.414 32.500 -0.011 0.000 0.713 392 K HN -0.688 7.544 8.250 -0.006 0.014 0.439 393 K N -1.088 119.304 120.400 -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 -0.182 32.312 32.500 -0.009 0.000 0.713 393 K HN -0.762 7.482 8.250 -0.010 0.000 0.443 394 A N -1.925 120.891 122.820 -0.007 0.000 1.865 394 A HA -0.336 nan 4.320 nan 0.000 0.217 394 A C 2.388 179.968 177.584 -0.006 0.000 1.191 394 A CA 3.191 55.228 52.037 0.001 0.000 0.623 394 A CB -0.818 18.185 19.000 0.005 0.000 0.826 394 A HN -0.270 7.878 8.150 -0.005 -0.001 0.444 395 R N -2.129 118.365 120.500 -0.010 0.000 2.080 395 R HA -0.409 nan 4.340 nan 0.000 0.236 395 R C 2.374 178.655 176.300 -0.032 0.000 1.137 395 R CA 3.368 59.460 56.100 -0.014 0.000 0.943 395 R CB -0.276 30.017 30.300 -0.012 0.000 0.846 395 R HN -0.056 8.033 8.270 -0.008 0.176 0.431 396 V N 0.019 119.907 119.914 -0.043 0.000 2.223 396 V HA -0.459 nan 4.120 nan 0.000 0.244 396 V C 1.680 177.700 176.094 -0.124 0.000 1.045 396 V CA 4.531 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 -1.195 118.929 120.200 -0.127 0.000 2.197 397 E HA -0.556 nan 4.350 nan 0.000 0.205 397 E C 2.129 178.508 176.600 -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 -1.273 119.054 120.400 -0.120 0.000 2.075 398 D HA -0.230 nan 4.640 nan 0.000 0.196 398 D C 2.037 178.301 176.300 -0.059 0.000 0.985 398 D CA 3.096 57.092 54.000 -0.007 0.000 0.834 398 D CB 0.224 41.036 40.800 0.020 0.000 0.987 398 D HN -0.621 7.692 8.370 -0.070 0.015 0.452 399 A N -0.197 122.581 122.820 -0.068 0.000 1.978 399 A HA -0.235 nan 4.320 nan 0.000 0.220 399 A C 2.156 179.693 177.584 -0.078 0.000 1.170 399 A CA 2.817 54.824 52.037 -0.050 0.000 0.636 399 A CB -0.639 18.337 19.000 -0.040 0.000 0.810 399 A HN -0.115 7.998 8.150 -0.062 0.000 0.448 400 L N -2.578 118.542 121.223 -0.173 0.000 2.093 400 L HA -0.423 nan 4.340 nan 0.000 0.208 400 L C 1.286 178.087 176.870 -0.115 0.000 1.085 400 L CA 3.442 58.181 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 0.420 8.486 8.230 -0.226 0.028 0.435 401 H N -1.131 117.937 119.070 -0.003 0.000 2.293 401 H HA -0.383 nan 4.556 nan 0.000 0.300 401 H C 1.964 177.293 175.328 0.002 0.000 1.082 401 H CA 3.382 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 -0.349 7.571 8.280 -0.415 0.111 0.495 402 A N -2.228 120.655 122.820 0.105 0.000 1.917 402 A HA -0.421 nan 4.320 nan 0.000 0.219 402 A C 2.009 179.618 177.584 0.041 0.000 1.182 402 A CA 3.351 55.425 52.037 0.061 0.000 0.633 402 A CB -0.924 18.100 19.000 0.039 0.000 0.819 402 A HN -0.396 7.808 8.150 0.091 0.000 0.448 403 T N 1.186 115.754 114.554 0.025 0.000 2.821 403 T HA -0.273 nan 4.350 nan 0.000 0.267 403 T C 2.099 176.814 174.700 0.023 0.000 1.046 403 T CA 4.568 66.677 62.100 0.016 0.000 1.139 403 T CB -0.553 68.316 68.868 0.001 0.000 0.871 403 T HN -0.247 8.001 8.240 0.013 0.000 0.454 404 R N 1.570 122.091 120.500 0.035 0.000 2.148 404 R HA -0.257 nan 4.340 nan 0.000 0.227 404 R C 1.606 177.930 176.300 0.039 0.000 1.103 404 R CA 2.186 58.309 56.100 0.039 0.000 0.983 404 R CB -0.794 29.541 30.300 0.058 0.000 0.874 404 R HN -0.401 7.893 8.270 0.040 0.000 0.451 405 A N -1.172 121.675 122.820 0.045 0.000 1.826 405 A HA -0.118 nan 4.320 nan 0.000 0.214 405 A C 2.098 179.700 177.584 0.031 0.000 1.212 405 A CA 2.572 54.632 52.037 0.039 0.000 0.605 405 A CB -0.734 18.293 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 -1.375 121.462 122.820 0.028 0.000 1.927 406 A HA -0.367 nan 4.320 nan 0.000 0.220 406 A C 2.163 179.759 177.584 0.019 0.000 1.185 406 A CA 3.095 55.146 52.037 0.022 0.000 0.639 406 A CB -0.690 18.322 19.000 0.020 0.000 0.820 406 A HN -0.090 8.078 8.150 0.031 0.000 0.451 407 V N -2.447 117.478 119.914 0.019 0.000 2.380 407 V HA -0.485 nan 4.120 nan 0.000 0.251 407 V C 1.967 178.070 176.094 0.015 0.000 1.063 407 V CA 3.805 66.114 62.300 0.015 0.000 1.055 407 V CB -0.937 30.895 31.823 0.014 0.000 0.657 407 V HN 0.194 8.278 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 1.726 178.336 176.600 0.015 0.000 0.977 408 E CA 2.145 58.554 56.400 0.017 0.000 0.832 408 E CB 0.147 29.859 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 -1.719 118.491 120.200 0.017 0.000 2.465 409 E HA 0.052 nan 4.350 nan 0.000 0.191 409 E C -0.400 176.209 176.600 0.015 0.000 1.053 409 E CA -0.453 55.956 56.400 0.015 0.000 0.869 409 E CB 0.955 30.663 29.700 0.014 0.000 0.977 409 E HN -0.338 8.033 8.360 0.019 0.000 0.483 410 G N -1.445 107.365 108.800 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 -2.661 172.249 174.900 0.017 0.000 1.321 410 G CA -0.319 44.790 45.100 0.015 0.000 0.893 410 G HN -0.135 8.098 8.290 0.016 0.067 0.569 411 V N 0.723 120.647 119.914 0.017 0.000 2.488 411 V HA 0.649 nan 4.120 nan 0.000 0.293 411 V C -0.750 175.356 176.094 0.019 0.000 1.027 411 V CA -1.763 60.548 62.300 0.018 0.000 0.862 411 V CB 1.637 33.470 31.823 0.018 0.000 1.008 411 V HN -0.419 7.781 8.190 0.016 0.000 0.428 412 V N 4.273 124.199 119.914 0.020 0.000 2.997 412 V HA 0.708 nan 4.120 nan 0.000 0.311 412 V C -0.983 175.125 176.094 0.023 0.000 1.066 412 V CA -3.571 58.742 62.300 0.021 0.000 1.039 412 V CB 1.887 33.722 31.823 0.020 0.000 1.081 412 V HN -0.094 8.109 8.190 0.020 0.000 0.467 413 A N 0.847 123.682 122.820 0.026 0.000 2.545 413 A HA -0.026 nan 4.320 nan 0.000 0.253 413 A C 0.122 177.719 177.584 0.023 0.000 1.074 413 A CA 0.566 52.620 52.037 0.028 0.000 0.760 413 A CB -0.336 18.684 19.000 0.034 0.000 1.005 413 A HN 0.020 8.312 8.150 0.027 -0.125 0.506 414 G N 0.733 109.546 108.800 0.021 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 0.272 175.183 174.900 0.018 0.000 1.488 414 G CA -1.125 43.986 45.100 0.019 0.000 1.063 414 G HN -0.414 7.890 8.290 0.022 0.000 0.557 415 G N -1.120 107.692 108.800 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 0.349 175.262 174.900 0.022 0.000 0.986 415 G CA 0.403 45.517 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 -2.911 105.898 108.800 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 0.435 175.338 174.900 0.004 0.000 0.989 416 G CA 0.180 45.286 45.100 0.009 0.000 0.682 416 G HN 0.001 8.231 8.290 0.016 0.070 0.522 417 V N 0.709 120.627 119.914 0.006 0.000 2.446 417 V HA -0.247 nan 4.120 nan 0.000 0.244 417 V C 1.509 177.606 176.094 0.006 0.000 1.039 417 V CA 3.085 65.384 62.300 -0.001 0.000 1.045 417 V CB -0.558 31.264 31.823 -0.003 0.000 0.681 417 V HN -0.250 7.794 8.190 0.011 0.153 0.459 418 A N 0.444 123.272 122.820 0.013 0.000 1.859 418 A HA -0.413 nan 4.320 nan 0.000 0.217 418 A C 1.852 179.443 177.584 0.012 0.000 1.198 418 A CA 3.414 55.460 52.037 0.015 0.000 0.629 418 A CB -1.187 17.823 19.000 0.016 0.000 0.830 418 A HN -0.446 7.712 8.150 0.014 0.000 0.446 419 L N -2.669 118.560 121.223 0.009 0.000 2.043 419 L HA -0.348 nan 4.340 nan 0.000 0.212 419 L C 2.195 179.068 176.870 0.005 0.000 1.075 419 L CA 2.819 57.663 54.840 0.007 0.000 0.752 419 L CB -0.172 41.891 42.059 0.007 0.000 0.891 419 L HN -0.207 8.029 8.230 0.010 0.000 0.432 420 I N -4.797 115.775 120.570 0.002 0.000 3.564 420 I HA -0.268 nan 4.170 nan 0.000 0.294 420 I C -0.117 176.003 176.117 0.004 0.000 1.289 420 I CA 0.380 61.680 61.300 -0.000 0.000 1.325 420 I CB -0.137 37.859 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 -0.604 119.902 120.500 0.009 0.000 2.128 421 R HA -0.029 nan 4.340 nan 0.000 0.211 421 R C 1.202 177.513 176.300 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 -0.234 7.838 8.270 0.009 0.203 0.457 422 V N -6.427 113.495 119.914 0.015 0.000 2.599 422 V HA 0.269 nan 4.120 nan 0.000 0.245 422 V C 1.239 177.339 176.094 0.010 0.000 1.046 422 V CA 2.178 64.486 62.300 0.013 0.000 1.065 422 V CB 0.110 31.939 31.823 0.010 0.000 0.703 422 V HN -0.052 8.146 8.190 0.013 0.000 0.464 423 A N 0.529 123.354 122.820 0.008 0.000 2.264 423 A HA -0.126 nan 4.320 nan 0.000 0.207 423 A C 0.534 178.122 177.584 0.007 0.000 1.196 423 A CA 2.314 54.355 52.037 0.006 0.000 0.778 423 A CB -0.918 18.085 19.000 0.004 0.000 0.779 423 A HN -0.179 7.975 8.150 0.007 0.000 0.483 424 S N -4.466 111.239 115.700 0.010 0.000 2.506 424 S HA -0.021 nan 4.470 nan 0.000 0.219 424 S C 1.652 176.259 174.600 0.012 0.000 1.031 424 S CA 0.799 59.006 58.200 0.011 0.000 0.911 424 S CB 0.965 64.174 63.200 0.015 0.000 0.812 424 S HN -0.517 7.707 8.310 0.011 0.093 0.497 425 K N 3.267 123.674 120.400 0.012 0.000 2.296 425 K HA -0.107 nan 4.320 nan 0.000 0.200 425 K C 1.102 177.707 176.600 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 -0.191 7.942 8.250 0.013 0.124 0.466 426 L N -2.328 118.899 121.223 0.007 0.000 2.728 426 L HA 0.175 nan 4.340 nan 0.000 0.235 426 L C 0.193 177.066 176.870 0.005 0.000 1.197 426 L CA -1.210 53.633 54.840 0.005 0.000 0.992 426 L CB -1.112 40.950 42.059 0.004 0.000 1.263 426 L HN -0.562 7.642 8.230 0.008 0.031 0.484 427 A N 0.440 123.263 122.820 0.006 0.000 2.024 427 A HA -0.269 nan 4.320 nan 0.000 0.220 427 A C 0.297 177.883 177.584 0.004 0.000 1.164 427 A CA 2.562 54.602 52.037 0.005 0.000 0.643 427 A CB 0.055 19.058 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 -3.152 117.251 120.400 0.004 0.000 3.068 428 D HA 0.189 nan 4.640 nan 0.000 0.327 428 D C -1.602 174.700 176.300 0.003 0.000 1.361 428 D CA -0.295 53.707 54.000 0.003 0.000 0.877 428 D CB 0.267 41.069 40.800 0.004 0.000 1.088 428 D HN 0.052 8.404 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 -1.140 175.732 176.870 0.002 0.000 1.023 429 L CA -0.249 54.592 54.840 0.002 0.000 0.812 429 L CB 1.603 43.663 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 4.119 124.620 120.500 0.002 0.000 2.939 430 R HA 0.583 nan 4.340 nan 0.000 0.254 430 R C -1.217 175.083 176.300 0.001 0.000 1.123 430 R CA -2.191 53.910 56.100 0.002 0.000 1.020 430 R CB 3.370 33.671 30.300 0.002 0.000 1.206 430 R HN 0.266 8.537 8.270 0.002 0.000 0.491 431 G N -2.510 106.291 108.800 0.001 0.000 3.086 431 G HA2 0.314 nan 3.960 nan 0.000 0.282 431 G HA3 0.314 nan 3.960 nan 0.000 0.282 431 G C -0.446 174.455 174.900 0.002 0.000 1.343 431 G CA -0.017 45.084 45.100 0.001 0.000 0.895 431 G HN -0.189 8.102 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 -0.393 nan 4.340 nan 0.000 0.211 432 Q C -0.417 175.584 176.000 0.002 0.000 0.993 432 Q CA 2.258 58.062 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 -8.240 110.461 118.700 0.002 0.000 3.449 433 N HA -0.007 nan 4.740 nan 0.000 0.312 433 N C -0.862 174.649 175.510 0.002 0.000 1.582 433 N CA -0.881 52.170 53.050 0.002 0.000 0.850 433 N CB 1.237 39.725 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 -1.106 119.095 120.200 0.002 0.000 2.001 434 E HA -0.342 nan 4.350 nan 0.000 0.195 434 E C 1.607 178.208 176.600 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 -0.741 119.660 120.400 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 57.049 54.000 0.003 0.000 0.867 435 D CB -0.581 40.221 40.800 0.003 0.000 0.926 435 D HN -0.244 8.158 8.370 0.002 -0.031 0.450 436 Q N -2.608 117.194 119.800 0.003 0.000 2.224 436 Q HA -0.285 nan 4.340 nan 0.000 0.203 436 Q C 2.451 178.452 176.000 0.002 0.000 0.970 436 Q CA 2.679 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 1.064 119.766 118.700 0.002 0.000 2.207 437 N HA -0.172 nan 4.740 nan 0.000 0.182 437 N C 1.808 177.319 175.510 0.002 0.000 1.020 437 N CA 3.038 56.090 53.050 0.002 0.000 0.858 437 N CB 0.099 38.587 38.487 0.002 0.000 0.991 437 N HN 0.095 8.328 8.380 0.002 0.148 0.427 438 V N -0.736 119.179 119.914 0.002 0.000 3.305 438 V HA -0.097 nan 4.120 nan 0.000 0.269 438 V C 0.585 176.681 176.094 0.003 0.000 1.157 438 V CA 2.235 64.536 62.300 0.002 0.000 1.157 438 V CB -0.871 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 -0.570 108.232 108.800 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 0.650 175.552 174.900 0.003 0.000 1.164 439 G CA 1.353 46.455 45.100 0.004 0.000 0.811 439 G HN -0.517 7.671 8.290 0.003 0.104 0.535 440 I N 2.444 123.015 120.570 0.002 0.000 2.163 440 I HA -0.581 nan 4.170 nan 0.000 0.243 440 I C 1.279 177.397 176.117 0.002 0.000 1.085 440 I CA 3.710 65.011 61.300 0.002 0.000 1.347 440 I CB -0.041 37.960 38.000 0.001 0.000 1.044 440 I HN -0.319 7.707 8.210 0.002 0.185 0.408 441 K N -0.756 119.645 120.400 0.002 0.000 2.280 441 K HA -0.290 nan 4.320 nan 0.000 0.202 441 K C 2.079 178.680 176.600 0.002 0.000 1.047 441 K CA 3.404 59.692 56.287 0.002 0.000 0.942 441 K CB -0.044 32.457 32.500 0.002 0.000 0.739 441 K HN 0.135 8.277 8.250 0.002 0.110 0.457 442 V N -0.138 119.778 119.914 0.003 0.000 2.255 442 V HA -0.330 nan 4.120 nan 0.000 0.243 442 V C 1.713 177.809 176.094 0.003 0.000 1.038 442 V CA 3.474 65.776 62.300 0.003 0.000 1.008 442 V CB -0.561 31.265 31.823 0.004 0.000 0.645 442 V HN -0.439 7.583 8.190 0.003 0.170 0.449 443 A N -1.760 121.062 122.820 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 -3.342 117.882 121.223 0.002 0.000 2.023 444 L HA -0.353 nan 4.340 nan 0.000 0.205 444 L C 2.133 179.004 176.870 0.001 0.000 1.073 444 L CA 2.603 57.444 54.840 0.002 0.000 0.745 444 L CB -0.420 41.640 42.059 0.002 0.000 0.900 444 L HN -0.528 7.676 8.230 0.002 0.027 0.435 445 R N -2.971 117.530 120.500 0.001 0.000 2.237 445 R HA -0.225 nan 4.340 nan 0.000 0.219 445 R C 1.723 178.024 176.300 0.000 0.000 1.080 445 R CA 2.540 58.640 56.100 0.000 0.000 0.995 445 R CB -0.742 29.558 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 -0.192 122.629 122.820 0.002 0.000 1.872 446 A HA -0.074 nan 4.320 nan 0.000 0.214 446 A C 1.621 179.207 177.584 0.004 0.000 1.187 446 A CA 2.233 54.273 52.037 0.004 0.000 0.614 446 A CB -0.257 18.746 19.000 0.006 0.000 0.826 446 A HN -0.079 7.991 8.150 0.002 0.082 0.442 447 M N -3.877 115.725 119.600 0.003 0.000 2.539 447 M HA -0.296 nan 4.480 nan 0.000 0.261 447 M C 0.754 177.055 176.300 0.001 0.000 1.069 447 M CA 2.840 58.142 55.300 0.003 0.000 1.081 447 M CB 0.039 32.641 32.600 0.003 0.000 1.412 447 M HN -0.577 7.627 8.290 0.003 0.088 0.482 448 E N -3.217 116.981 120.200 -0.002 0.000 2.489 448 E HA -0.048 nan 4.350 nan 0.000 0.193 448 E C 0.478 177.073 176.600 -0.009 0.000 1.057 448 E CA 0.451 56.847 56.400 -0.007 0.000 0.866 448 E CB -0.203 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 0.525 123.343 122.820 -0.004 0.000 1.858 449 A HA -0.097 nan 4.320 nan 0.000 0.216 449 A C -0.849 176.733 177.584 -0.004 0.000 1.190 449 A CA 4.913 56.948 52.037 -0.003 0.000 0.617 449 A CB -2.372 16.629 19.000 0.002 0.000 0.827 449 A HN -0.107 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 65.696 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 -0.750 120.466 121.223 -0.012 0.000 1.956 451 L HA -0.399 nan 4.340 nan 0.000 0.216 451 L C 2.003 178.848 176.870 -0.042 0.000 1.073 451 L CA 3.417 58.242 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 -3.219 117.255 120.500 -0.043 0.000 2.198 452 R HA -0.505 nan 4.340 nan 0.000 0.258 452 R C 2.577 178.853 176.300 -0.039 0.000 1.173 452 R CA 3.302 59.373 56.100 -0.048 0.000 0.991 452 R CB -0.538 29.742 30.300 -0.034 0.000 0.879 452 R HN -0.521 7.728 8.270 -0.035 0.000 0.460 453 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 1.893 177.883 176.000 -0.017 0.000 0.975 453 Q CA 2.314 58.108 55.803 -0.016 0.000 0.827 453 Q CB -0.632 28.102 28.738 -0.007 0.000 0.894 453 Q HN -0.620 7.499 8.270 -0.021 0.138 0.438 454 I N 0.155 120.718 120.570 -0.012 0.000 2.103 454 I HA -0.655 nan 4.170 nan 0.000 0.241 454 I C 2.102 178.215 176.117 -0.006 0.000 1.036 454 I CA 4.332 65.631 61.300 -0.001 0.000 1.300 454 I CB -0.072 37.932 38.000 0.007 0.000 1.010 454 I HN 0.120 8.324 8.210 -0.010 0.000 0.406 455 V N -1.421 118.467 119.914 -0.042 0.000 2.490 455 V HA -0.347 nan 4.120 nan 0.000 0.250 455 V C 2.156 178.218 176.094 -0.054 0.000 1.061 455 V CA 3.869 66.118 62.300 -0.084 0.000 1.064 455 V CB -0.891 30.797 31.823 -0.225 0.000 0.670 455 V HN -0.026 8.131 8.190 -0.056 0.000 0.461 456 L N -0.297 120.901 121.223 -0.042 0.000 2.046 456 L HA -0.344 nan 4.340 nan 0.000 0.208 456 L C 1.208 178.071 176.870 -0.011 0.000 1.077 456 L CA 3.003 57.827 54.840 -0.027 0.000 0.747 456 L CB -0.379 41.666 42.059 -0.023 0.000 0.896 456 L HN 0.170 8.253 8.230 -0.044 0.120 0.432 457 N N -1.687 117.010 118.700 -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 -0.047 38.444 38.487 0.006 0.000 0.983 457 N HN -0.375 8.000 8.380 -0.007 0.000 0.429 458 C N -3.225 116.084 119.300 0.015 0.000 2.440 458 C HA -0.166 nan 4.460 nan 0.000 0.278 458 C C 1.361 176.363 174.990 0.021 0.000 1.295 458 C CA 2.695 61.731 59.018 0.030 0.000 1.738 458 C CB -0.937 26.842 27.740 0.065 0.000 1.987 458 C HN -0.408 7.700 8.230 0.010 0.127 0.492 459 G N -2.215 106.589 108.800 0.007 0.000 2.231 459 G HA2 -0.288 nan 3.960 nan 0.000 0.206 459 G HA3 -0.288 nan 3.960 nan 0.000 0.206 459 G C -0.427 174.473 174.900 0.001 0.000 0.996 459 G CA -0.150 44.953 45.100 0.005 0.000 0.645 459 G HN -0.200 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 0.090 nan 4.350 nan 0.000 0.259 460 E C -0.985 175.589 176.600 -0.042 0.000 1.117 460 E CA -1.259 55.133 56.400 -0.013 0.000 0.913 460 E CB 1.013 30.709 29.700 -0.006 0.000 1.057 460 E HN -0.370 7.932 8.360 0.002 0.059 0.432 461 E N -0.208 119.970 120.200 -0.037 0.000 2.299 461 E HA 0.133 nan 4.350 nan 0.000 0.272 461 E C -0.064 176.494 176.600 -0.070 0.000 1.043 461 E CA -1.888 54.489 56.400 -0.040 0.000 0.895 461 E CB -0.578 29.110 29.700 -0.019 0.000 1.011 461 E HN 0.170 8.518 8.360 -0.021 0.000 0.432 462 P HA -0.090 nan 4.420 nan 0.000 0.223 462 P C 1.022 178.284 177.300 -0.064 0.000 1.151 462 P CA 1.884 64.934 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 -2.404 113.272 115.700 -0.041 0.000 2.496 463 S HA -0.055 nan 4.470 nan 0.000 0.224 463 S C 0.971 175.560 174.600 -0.019 0.000 0.996 463 S CA 1.940 60.124 58.200 -0.026 0.000 0.927 463 S CB -0.147 63.043 63.200 -0.016 0.000 0.774 463 S HN 0.143 8.431 8.310 -0.036 0.000 0.524 464 V N 0.354 120.256 119.914 -0.020 0.000 2.599 464 V HA -0.121 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 0.091 31.926 31.823 0.020 0.000 0.703 464 V HN -0.666 7.466 8.190 -0.033 0.038 0.464 465 V N -1.030 118.860 119.914 -0.040 0.000 2.346 465 V HA -0.312 nan 4.120 nan 0.000 0.244 465 V C 1.406 177.494 176.094 -0.011 0.000 1.037 465 V CA 4.377 66.648 62.300 -0.048 0.000 1.029 465 V CB -1.050 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 -1.508 121.279 122.820 -0.054 0.000 2.070 466 A HA -0.331 nan 4.320 nan 0.000 0.220 466 A C 1.682 179.259 177.584 -0.011 0.000 1.159 466 A CA 3.219 55.236 52.037 -0.034 0.000 0.656 466 A CB -0.715 18.263 19.000 -0.038 0.000 0.800 466 A HN -0.337 7.765 8.150 -0.080 0.000 0.453 467 N N -3.662 115.036 118.700 -0.003 0.000 2.251 467 N HA -0.102 nan 4.740 nan 0.000 0.181 467 N C 1.853 177.365 175.510 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 38.648 38.487 0.002 0.000 0.992 467 N HN -0.338 7.892 8.380 -0.004 0.147 0.429 468 T N 3.699 118.258 114.554 0.009 0.000 2.668 468 T HA -0.225 nan 4.350 nan 0.000 0.258 468 T C 2.225 176.911 174.700 -0.023 0.000 1.051 468 T CA 4.195 66.273 62.100 -0.036 0.000 1.155 468 T CB -0.183 68.588 68.868 -0.162 0.000 0.864 468 T HN -0.546 7.629 8.240 0.034 0.085 0.413 469 V N 1.766 121.671 119.914 -0.015 0.000 2.453 469 V HA -0.441 nan 4.120 nan 0.000 0.252 469 V C 1.636 177.694 176.094 -0.060 0.000 1.068 469 V CA 3.927 66.150 62.300 -0.128 0.000 1.070 469 V CB -1.134 30.651 31.823 -0.063 0.000 0.664 469 V HN 0.479 8.719 8.190 0.084 0.000 0.461 470 K N 0.512 120.906 120.400 -0.011 0.000 1.985 470 K HA -0.267 nan 4.320 nan 0.000 0.210 470 K C 1.217 177.837 176.600 0.033 0.000 1.047 470 K CA 2.711 59.002 56.287 0.008 0.000 0.932 470 K CB 0.061 32.564 32.500 0.006 0.000 0.716 470 K HN -0.627 7.590 8.250 -0.008 0.028 0.439 471 G N -3.498 105.327 108.800 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 -0.958 174.008 174.900 0.110 0.000 0.938 471 G CA -0.253 44.882 45.100 0.058 0.000 1.890 471 G HN -0.534 7.774 8.290 0.030 0.000 0.639 472 G N 0.393 109.291 108.800 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 -2.171 172.876 174.900 0.246 0.000 2.403 472 G CA -0.252 44.999 45.100 0.253 0.000 0.763 472 G HN -0.712 7.597 8.290 0.130 0.059 0.371 473 D N 2.246 122.721 120.400 0.124 0.000 2.406 473 D HA -0.125 nan 4.640 nan 0.000 0.234 473 D C 0.750 177.119 176.300 0.115 0.000 1.196 473 D CA 1.922 55.981 54.000 0.099 0.000 0.881 473 D CB 0.826 41.659 40.800 0.055 0.000 1.205 473 D HN -0.119 8.301 8.370 0.085 0.000 0.453 474 G N 1.240 110.095 108.800 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 -0.802 174.163 174.900 0.107 0.000 1.311 474 G CA -0.431 44.722 45.100 0.089 0.000 0.915 474 G HN 0.141 8.475 8.290 0.073 0.000 0.528 475 N N -0.239 118.523 118.700 0.103 0.000 2.413 475 N HA -0.025 nan 4.740 nan 0.000 0.207 475 N C -0.717 174.881 175.510 0.147 0.000 1.206 475 N CA -0.076 53.031 53.050 0.095 0.000 0.832 475 N CB -0.397 38.131 38.487 0.070 0.000 1.037 475 N HN 0.093 8.527 8.380 0.091 0.000 0.467 476 Y N 1.272 121.602 120.300 0.050 0.000 2.442 476 Y HA -0.090 nan 4.550 nan 0.000 0.330 476 Y C -1.875 174.089 175.900 0.106 0.000 1.129 476 Y CA 0.448 58.590 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 5.026 113.719 108.800 -0.178 0.000 2.682 477 G HA2 0.094 nan 3.960 nan 0.000 0.303 477 G HA3 0.094 nan 3.960 nan 0.000 0.303 477 G C -3.669 171.206 174.900 -0.041 0.000 1.341 477 G CA -0.792 44.165 45.100 -0.238 0.000 0.784 477 G HN 0.368 8.739 8.290 0.134 0.000 0.497 478 Y N -0.369 119.843 120.300 -0.147 0.000 2.491 478 Y HA 0.150 nan 4.550 nan 0.000 0.334 478 Y C -1.305 174.496 175.900 -0.165 0.000 0.969 478 Y CA -1.908 56.040 58.100 -0.254 0.000 1.241 478 Y CB 0.461 38.674 38.460 -0.411 0.000 1.105 478 Y HN -0.071 8.259 8.280 0.083 0.000 0.503 479 N N 8.396 126.929 118.700 -0.278 0.000 2.406 479 N HA -0.119 nan 4.740 nan 0.000 0.269 479 N C -0.136 175.145 175.510 -0.381 0.000 1.210 479 N CA -0.530 52.391 53.050 -0.215 0.000 0.966 479 N CB -0.163 38.231 38.487 -0.154 0.000 1.293 479 N HN 0.333 8.464 8.380 -0.275 0.084 0.491 480 A N 5.615 128.331 122.820 -0.172 0.000 2.121 480 A HA -0.205 nan 4.320 nan 0.000 0.218 480 A C 1.126 178.658 177.584 -0.086 0.000 1.154 480 A CA 2.476 54.469 52.037 -0.074 0.000 0.679 480 A CB -0.519 18.582 19.000 0.168 0.000 0.795 480 A HN 0.102 8.240 8.150 -0.019 0.000 0.458 481 A N -2.913 119.856 122.820 -0.086 0.000 2.067 481 A HA -0.191 nan 4.320 nan 0.000 0.219 481 A C 0.658 178.195 177.584 -0.079 0.000 1.158 481 A CA 2.606 54.608 52.037 -0.060 0.000 0.661 481 A CB -0.260 18.713 19.000 -0.044 0.000 0.801 481 A HN 0.042 8.261 8.150 -0.090 -0.123 0.452 482 T N -9.404 105.068 114.554 -0.136 0.000 3.130 482 T HA 0.183 nan 4.350 nan 0.000 0.288 482 T C 0.119 174.687 174.700 -0.221 0.000 0.936 482 T CA -0.658 61.360 62.100 -0.136 0.000 0.897 482 T CB 0.977 69.778 68.868 -0.112 0.000 1.178 482 T HN -0.661 7.599 8.240 -0.185 -0.131 0.543 483 E N -1.358 118.610 120.200 -0.387 0.000 2.637 483 E HA -0.430 nan 4.350 nan 0.000 0.265 483 E C -1.371 174.725 176.600 -0.841 0.000 1.073 483 E CA 1.482 57.444 56.400 -0.730 0.000 0.778 483 E CB -1.599 27.952 29.700 -0.248 0.000 1.362 483 E HN 0.258 8.279 8.360 -0.356 0.125 0.413 484 E N -2.993 116.811 120.200 -0.660 0.000 2.183 484 E HA 0.319 nan 4.350 nan 0.000 0.271 484 E C -0.910 175.524 176.600 -0.277 0.000 0.919 484 E CA -2.337 53.844 56.400 -0.364 0.000 0.781 484 E CB 1.966 31.581 29.700 -0.142 0.000 1.140 484 E HN -0.432 7.564 8.360 -0.567 0.025 0.402 485 Y N 2.348 122.650 120.300 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 0.470 58.695 58.100 0.208 0.000 1.467 485 Y CB -1.011 37.690 38.460 0.402 0.000 1.287 485 Y HN 0.377 8.788 8.280 0.219 0.000 0.504 486 G N 1.428 110.438 108.800 0.351 0.000 3.015 486 G HA2 0.032 nan 3.960 nan 0.000 0.281 486 G HA3 0.032 nan 3.960 nan 0.000 0.281 486 G C -2.481 172.595 174.900 0.293 0.000 1.386 486 G CA -1.696 43.572 45.100 0.279 0.000 0.959 486 G HN -0.380 8.042 8.290 0.219 0.000 0.522 487 N N 0.806 119.619 118.700 0.189 0.000 2.416 487 N HA 0.042 nan 4.740 nan 0.000 0.271 487 N C 1.614 177.187 175.510 0.105 0.000 1.245 487 N CA 0.705 53.849 53.050 0.158 0.000 0.940 487 N CB 0.238 38.782 38.487 0.096 0.000 1.175 487 N HN 0.111 8.571 8.380 0.134 0.000 0.483 488 M N 5.855 125.516 119.600 0.101 0.000 2.144 488 M HA -0.399 nan 4.480 nan 0.000 0.260 488 M C 1.733 178.058 176.300 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 8.725 8.290 0.133 0.000 0.406 489 I N -1.449 119.148 120.570 0.046 0.000 2.353 489 I HA -0.348 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 2.523 63.843 61.300 0.034 0.000 1.417 489 I CB -1.468 36.553 38.000 0.034 0.000 1.078 489 I HN -0.616 7.697 8.210 0.059 -0.068 0.421 490 D N 1.296 121.717 120.400 0.035 0.000 2.178 490 D HA -0.170 nan 4.640 nan 0.000 0.202 490 D C 1.852 178.166 176.300 0.022 0.000 0.974 490 D CA 2.996 57.013 54.000 0.028 0.000 0.841 490 D CB 0.073 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 -3.438 116.176 119.600 0.025 0.000 2.618 491 M HA 0.029 nan 4.480 nan 0.000 0.240 491 M C 0.455 176.759 176.300 0.007 0.000 1.123 491 M CA 0.397 55.705 55.300 0.013 0.000 1.060 491 M CB 0.400 33.006 32.600 0.011 0.000 1.535 491 M HN -0.118 8.079 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 -0.257 174.648 174.900 0.008 0.000 0.983 492 G CA 0.862 45.968 45.100 0.009 0.000 0.676 492 G HN -0.265 7.823 8.290 0.017 0.212 0.528 493 I N 3.863 124.438 120.570 0.009 0.000 2.268 493 I HA 0.233 nan 4.170 nan 0.000 0.290 493 I C -1.304 174.821 176.117 0.014 0.000 1.125 493 I CA -1.121 60.183 61.300 0.007 0.000 1.236 493 I CB -2.698 35.303 38.000 0.001 0.000 1.469 493 I HN -0.176 7.999 8.210 0.012 0.042 0.512 494 L N 2.205 123.437 121.223 0.014 0.000 2.223 494 L HA 0.910 nan 4.340 nan 0.000 0.243 494 L C -1.261 175.619 176.870 0.018 0.000 1.105 494 L CA -2.244 52.607 54.840 0.017 0.000 0.943 494 L CB 2.689 44.759 42.059 0.019 0.000 1.542 494 L HN -0.398 7.840 8.230 0.012 0.000 0.437 495 D N -4.791 115.621 120.400 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 0.384 41.198 40.800 0.023 0.000 1.575 495 D HN -0.129 8.253 8.370 0.020 0.000 0.482 496 P HA -0.233 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 0.428 32.146 31.700 0.029 0.000 0.841 497 T N 2.211 116.778 114.554 0.022 0.000 2.942 497 T HA -0.174 nan 4.350 nan 0.000 0.265 497 T C 1.658 176.370 174.700 0.021 0.000 1.062 497 T CA 4.280 66.391 62.100 0.019 0.000 1.139 497 T CB -0.054 68.823 68.868 0.016 0.000 0.883 497 T HN 0.280 8.434 8.240 0.021 0.098 0.468 498 K N 0.990 121.405 120.400 0.024 0.000 2.020 498 K HA -0.393 nan 4.320 nan 0.000 0.212 498 K C 1.482 178.105 176.600 0.039 0.000 1.050 498 K CA 4.003 60.308 56.287 0.029 0.000 0.929 498 K CB -0.400 32.120 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 -6.807 113.131 119.914 0.041 0.000 2.358 499 V HA -0.142 nan 4.120 nan 0.000 0.246 499 V C 1.720 177.841 176.094 0.045 0.000 1.047 499 V CA 2.980 65.309 62.300 0.048 0.000 1.035 499 V CB -1.273 30.575 31.823 0.041 0.000 0.658 499 V HN -0.010 8.201 8.190 0.036 0.000 0.452 500 T N 1.463 116.036 114.554 0.032 0.000 2.915 500 T HA -0.214 nan 4.350 nan 0.000 0.269 500 T C 1.928 176.640 174.700 0.020 0.000 1.071 500 T CA 4.067 66.183 62.100 0.026 0.000 1.132 500 T CB -0.456 68.424 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 2.290 122.799 120.500 0.015 0.000 2.052 501 R HA -0.210 nan 4.340 nan 0.000 0.226 501 R C 1.620 177.908 176.300 -0.021 0.000 1.145 501 R CA 3.327 59.424 56.100 -0.006 0.000 0.952 501 R CB 0.401 30.696 30.300 -0.008 0.000 0.847 501 R HN 0.039 8.202 8.270 0.020 0.119 0.431 502 S N -0.583 115.124 115.700 0.012 0.000 2.653 502 S HA -0.177 nan 4.470 nan 0.000 0.233 502 S C 1.064 175.764 174.600 0.165 0.000 0.970 502 S CA 2.114 60.338 58.200 0.040 0.000 0.947 502 S CB -0.413 62.901 63.200 0.191 0.000 0.771 502 S HN 0.342 8.565 8.310 0.032 0.105 0.538 503 A N 1.242 124.117 122.820 0.092 0.000 1.942 503 A HA 0.083 nan 4.320 nan 0.000 0.209 503 A C 1.031 178.656 177.584 0.069 0.000 1.214 503 A CA 2.266 54.365 52.037 0.104 0.000 0.686 503 A CB -0.251 18.788 19.000 0.064 0.000 0.871 503 A HN -0.470 7.502 8.150 0.051 0.209 0.460 504 L N -0.765 120.471 121.223 0.021 0.000 2.179 504 L HA -0.241 nan 4.340 nan 0.000 0.208 504 L C 1.870 178.715 176.870 -0.040 0.000 1.096 504 L CA 2.955 57.794 54.840 -0.002 0.000 0.779 504 L CB -0.216 41.837 42.059 -0.010 0.000 0.922 504 L HN -0.630 7.526 8.230 0.014 0.083 0.443 505 Q N -1.689 118.042 119.800 -0.113 0.000 2.119 505 Q HA -0.310 nan 4.340 nan 0.000 0.201 505 Q C 2.513 178.340 176.000 -0.288 0.000 0.972 505 Q CA 3.335 58.991 55.803 -0.245 0.000 0.847 505 Q CB -0.030 28.472 28.738 -0.394 0.000 0.903 505 Q HN 0.390 8.496 8.270 -0.100 0.105 0.433 506 Y N -2.506 117.799 120.300 0.008 0.000 2.365 506 Y HA -0.193 nan 4.550 nan 0.000 0.293 506 Y C 1.091 176.995 175.900 0.007 0.000 1.119 506 Y CA 1.988 60.093 58.100 0.007 0.000 1.203 506 Y CB -0.399 38.065 38.460 0.007 0.000 1.026 506 Y HN -0.767 7.460 8.280 -0.087 0.000 0.549 507 A N -0.575 122.323 122.820 0.131 0.000 1.883 507 A HA -0.403 nan 4.320 nan 0.000 0.217 507 A C 1.575 179.191 177.584 0.054 0.000 1.186 507 A CA 3.120 55.205 52.037 0.080 0.000 0.624 507 A CB -0.959 18.073 19.000 0.053 0.000 0.822 507 A HN -0.310 7.911 8.150 0.119 0.000 0.444 508 A N -5.137 117.701 122.820 0.029 0.000 2.169 508 A HA -0.082 nan 4.320 nan 0.000 0.212 508 A C 1.725 179.321 177.584 0.021 0.000 1.153 508 A CA 1.776 53.822 52.037 0.016 0.000 0.756 508 A CB -0.823 18.176 19.000 -0.003 0.000 0.813 508 A HN -0.276 7.883 8.150 0.016 0.000 0.471 509 S N 0.126 115.849 115.700 0.038 0.000 2.335 509 S HA -0.212 nan 4.470 nan 0.000 0.217 509 S C 1.969 176.605 174.600 0.061 0.000 1.032 509 S CA 3.364 61.595 58.200 0.052 0.000 0.985 509 S CB 0.103 63.365 63.200 0.104 0.000 0.896 509 S HN -0.744 7.423 8.310 0.049 0.173 0.445 510 V N 0.551 120.511 119.914 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 3.066 65.400 62.300 0.057 0.000 1.010 510 V CB -1.333 30.522 31.823 0.054 0.000 0.637 510 V HN -0.529 7.723 8.190 0.104 0.000 0.444 511 A N -1.561 121.282 122.820 0.038 0.000 2.042 511 A HA -0.341 nan 4.320 nan 0.000 0.222 511 A C 2.062 179.661 177.584 0.024 0.000 1.167 511 A CA 3.232 55.286 52.037 0.028 0.000 0.649 511 A CB -0.911 18.104 19.000 0.025 0.000 0.809 511 A HN -0.379 7.798 8.150 0.045 0.000 0.457 512 G N -1.722 107.092 108.800 0.025 0.000 2.404 512 G HA2 -0.221 nan 3.960 nan 0.000 0.214 512 G HA3 -0.221 nan 3.960 nan 0.000 0.214 512 G C 1.142 176.056 174.900 0.022 0.000 1.189 512 G CA 1.398 46.510 45.100 0.020 0.000 0.789 512 G HN -0.848 7.308 8.290 0.029 0.151 0.533 513 L N 1.150 122.389 121.223 0.027 0.000 2.129 513 L HA -0.443 nan 4.340 nan 0.000 0.212 513 L C 2.594 179.479 176.870 0.025 0.000 1.087 513 L CA 2.818 57.674 54.840 0.026 0.000 0.757 513 L CB -0.056 42.021 42.059 0.030 0.000 0.896 513 L HN -0.394 7.855 8.230 0.031 0.000 0.434 514 M N -2.212 117.403 119.600 0.025 0.000 2.236 514 M HA -0.286 nan 4.480 nan 0.000 0.266 514 M C 2.589 178.902 176.300 0.022 0.000 1.070 514 M CA 3.582 58.896 55.300 0.024 0.000 1.137 514 M CB 0.238 32.852 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 -0.528 120.054 120.570 0.020 0.000 2.315 515 I HA -0.365 nan 4.170 nan 0.000 0.248 515 I C 1.414 177.543 176.117 0.020 0.000 1.117 515 I CA 3.017 64.328 61.300 0.018 0.000 1.404 515 I CB 0.176 38.185 38.000 0.016 0.000 1.071 515 I HN -0.562 7.660 8.210 0.021 0.000 0.419 516 T N -6.692 107.875 114.554 0.021 0.000 3.235 516 T HA 0.169 nan 4.350 nan 0.000 0.251 516 T C 0.237 174.954 174.700 0.027 0.000 1.060 516 T CA -0.702 61.412 62.100 0.023 0.000 0.949 516 T CB -0.650 68.231 68.868 0.021 0.000 1.020 516 T HN -0.546 7.707 8.240 0.021 0.000 0.564 517 T N 3.394 117.965 114.554 0.028 0.000 2.882 517 T HA 0.136 nan 4.350 nan 0.000 0.287 517 T C -0.350 174.374 174.700 0.040 0.000 0.992 517 T CA 0.664 62.783 62.100 0.032 0.000 1.076 517 T CB 1.219 70.103 68.868 0.027 0.000 0.961 517 T HN -0.613 7.462 8.240 0.026 0.180 0.490 518 E N 1.204 121.436 120.200 0.053 0.000 2.474 518 E HA 0.189 nan 4.350 nan 0.000 0.215 518 E C -1.607 175.053 176.600 0.100 0.000 0.867 518 E CA 0.669 57.122 56.400 0.087 0.000 1.135 518 E CB 1.988 31.755 29.700 0.112 0.000 1.147 518 E HN 0.318 8.708 8.360 0.050 0.000 0.534 519 C N -1.831 117.489 119.300 0.033 0.000 2.888 519 C HA 0.675 nan 4.460 nan 0.000 0.308 519 C C -1.675 173.266 174.990 -0.083 0.000 1.213 519 C CA -1.863 57.094 59.018 -0.101 0.000 1.461 519 C CB 1.991 29.676 27.740 -0.092 0.000 1.934 519 C HN -0.483 7.767 8.230 0.033 0.000 0.474 520 M N 5.927 125.459 119.600 -0.113 0.000 2.263 520 M HA 0.354 nan 4.480 nan 0.000 0.295 520 M C -1.872 174.457 176.300 0.049 0.000 1.028 520 M CA -0.515 54.805 55.300 0.034 0.000 0.921 520 M CB 3.719 36.444 32.600 0.208 0.000 1.601 520 M HN 0.403 8.542 8.290 -0.251 0.000 0.440 521 V N 3.727 123.642 119.914 0.001 0.000 2.448 521 V HA 0.428 nan 4.120 nan 0.000 0.295 521 V C -1.013 175.029 176.094 -0.087 0.000 1.025 521 V CA -0.224 62.060 62.300 -0.027 0.000 0.859 521 V CB 1.304 33.103 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 5.392 119.857 114.554 -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 -0.180 0.000 1.205 522 T CA -0.957 60.996 62.100 -0.244 0.000 1.009 522 T CB 1.299 69.854 68.868 -0.522 0.000 1.368 522 T HN 0.015 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