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 1uim_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRPPLIERYR NLLPVSEKTP VISLLEGSTP LIPLKGPEEA RKKGIRLYAK DATA SEQUENCE YEGLNPTGSF KDRGMTLAVS KAVEGGAQAV ACASTGNTAA SAAAYAARAG DATA SEQUENCE ILAIVVLPAG YVALGKVAQS LVHGARIVQV EGNFDDALRL TQKLTEAFPV DATA SEQUENCE ALVNSVNPHR LEGQKTLAFE VVDELGDAPH YHALPVGNAG NITAHWMGYK DATA SEQUENCE AYHALGKAKR LPRMLGFQAA GAAPLVLGRP VERPETLATA IRIGNPASWQ DATA SEQUENCE GAVRAKEESG GVIEAVTDEE ILFAYRYLAR EEGIFCEPAS AAAMAGVFKL DATA SEQUENCE LREGRLEPES TVVLTLTGHG LKDPATAERV AELPPPVPAR LEAVAAAAGL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 R N 2.839 123.343 120.500 0.007 0.000 2.296 2 R HA 0.537 4.878 4.340 0.002 0.000 0.327 2 R C -2.457 173.848 176.300 0.008 0.000 1.137 2 R CA -1.504 54.603 56.100 0.012 0.000 1.020 2 R CB -0.230 30.079 30.300 0.016 0.000 1.110 2 R HN 0.378 nan 8.270 nan 0.000 0.499 3 P HA 0.416 nan 4.420 nan 0.000 0.280 3 P C -2.708 174.601 177.300 0.015 0.000 1.272 3 P CA -2.054 61.046 63.100 -0.000 0.000 0.819 3 P CB 0.460 32.148 31.700 -0.020 0.000 1.122 4 P HA 0.050 nan 4.420 nan 0.000 0.268 4 P C 1.083 178.416 177.300 0.054 0.000 1.205 4 P CA -0.240 62.885 63.100 0.043 0.000 0.771 4 P CB 0.284 32.008 31.700 0.039 0.000 0.858 5 L N 4.627 125.903 121.223 0.088 0.000 2.013 5 L HA -0.187 4.154 4.340 0.002 0.000 0.212 5 L C 1.883 178.843 176.870 0.149 0.000 1.073 5 L CA 1.886 56.805 54.840 0.132 0.000 0.753 5 L CB -1.000 41.137 42.059 0.131 0.000 0.890 5 L HN 0.396 nan 8.230 nan 0.000 0.432 6 I N -0.820 119.815 120.570 0.109 0.000 2.335 6 I HA -0.257 3.914 4.170 0.002 0.000 0.251 6 I C 2.371 178.538 176.117 0.083 0.000 1.129 6 I CA 1.121 62.482 61.300 0.102 0.000 1.402 6 I CB -0.249 37.789 38.000 0.064 0.000 1.069 6 I HN 0.343 nan 8.210 nan 0.000 0.424 7 E N 0.928 121.157 120.200 0.048 0.000 2.072 7 E HA -0.183 4.168 4.350 0.002 0.000 0.190 7 E C 2.217 178.802 176.600 -0.025 0.000 0.982 7 E CA 0.964 57.373 56.400 0.015 0.000 0.803 7 E CB -0.116 29.587 29.700 0.004 0.000 0.755 7 E HN 0.205 nan 8.360 nan 0.000 0.453 8 R N -1.092 119.365 120.500 -0.072 0.000 2.096 8 R HA -0.119 4.222 4.340 0.002 0.000 0.235 8 R C 0.554 176.608 176.300 -0.410 0.000 1.127 8 R CA 1.289 57.226 56.100 -0.271 0.000 0.968 8 R CB -0.049 30.026 30.300 -0.375 0.000 0.861 8 R HN 0.258 nan 8.270 nan 0.000 0.440 9 Y N -0.567 119.789 120.300 0.094 0.000 2.713 9 Y HA 0.268 4.819 4.550 0.002 0.000 0.269 9 Y C 1.369 177.330 175.900 0.102 0.000 1.106 9 Y CA -0.628 57.551 58.100 0.132 0.000 1.174 9 Y CB 0.419 39.026 38.460 0.244 0.000 1.186 9 Y HN -0.000 nan 8.280 nan 0.000 0.555 10 R N 1.091 121.678 120.500 0.145 0.000 2.096 10 R HA -0.234 4.107 4.340 0.002 0.000 0.240 10 R C 1.076 177.437 176.300 0.101 0.000 1.139 10 R CA 2.434 58.596 56.100 0.103 0.000 0.952 10 R CB -0.214 30.117 30.300 0.052 0.000 0.854 10 R HN 0.514 nan 8.270 nan 0.000 0.436 11 N N -0.270 118.484 118.700 0.090 0.000 2.453 11 N HA -0.078 4.663 4.740 0.002 0.000 0.183 11 N C 0.842 176.404 175.510 0.087 0.000 1.041 11 N CA 0.621 53.712 53.050 0.067 0.000 0.900 11 N CB 0.110 38.618 38.487 0.036 0.000 0.961 11 N HN 0.285 nan 8.380 nan 0.000 0.443 12 L N 0.635 121.950 121.223 0.153 0.000 2.769 12 L HA 0.325 4.666 4.340 0.002 0.000 0.240 12 L C -0.334 176.658 176.870 0.203 0.000 1.163 12 L CA 0.018 54.962 54.840 0.175 0.000 0.962 12 L CB 0.189 42.379 42.059 0.219 0.000 1.258 12 L HN 0.030 nan 8.230 nan 0.000 0.513 13 L N 0.632 121.953 121.223 0.163 0.000 2.341 13 L HA 0.437 4.778 4.340 0.002 0.000 0.267 13 L C -1.951 174.976 176.870 0.095 0.000 1.009 13 L CA -1.653 53.266 54.840 0.132 0.000 0.819 13 L CB 2.188 44.327 42.059 0.133 0.000 1.323 13 L HN -0.206 nan 8.230 nan 0.000 0.425 14 P HA 0.042 nan 4.420 nan 0.000 0.232 14 P C -0.614 176.719 177.300 0.056 0.000 1.738 14 P CA 0.197 63.348 63.100 0.085 0.000 0.948 14 P CB -0.339 31.439 31.700 0.131 0.000 1.943 15 V N -1.825 118.116 119.914 0.045 0.000 3.126 15 V HA 0.913 5.034 4.120 0.002 0.000 0.314 15 V C 0.001 176.110 176.094 0.025 0.000 1.138 15 V CA -0.850 61.464 62.300 0.024 0.000 1.034 15 V CB 1.816 33.653 31.823 0.023 0.000 1.075 15 V HN 0.347 nan 8.190 nan 0.000 0.442 16 S N -0.249 115.460 115.700 0.015 0.000 2.880 16 S HA 0.458 4.929 4.470 0.002 0.000 0.308 16 S C 0.604 175.210 174.600 0.010 0.000 1.195 16 S CA 0.132 58.340 58.200 0.014 0.000 0.866 16 S CB 1.379 64.587 63.200 0.013 0.000 1.254 16 S HN 1.128 nan 8.310 nan 0.000 0.571 17 E N 0.995 121.200 120.200 0.008 0.000 2.347 17 E HA -0.021 4.330 4.350 0.002 0.000 0.196 17 E C 0.901 177.503 176.600 0.004 0.000 1.008 17 E CA 0.822 57.225 56.400 0.006 0.000 0.852 17 E CB -0.442 29.261 29.700 0.005 0.000 0.783 17 E HN 0.689 nan 8.360 nan 0.000 0.505 18 K N 0.745 121.148 120.400 0.004 0.000 2.444 18 K HA 0.097 4.418 4.320 0.002 0.000 0.193 18 K C 0.014 176.613 176.600 -0.002 0.000 1.024 18 K CA 0.281 56.569 56.287 0.002 0.000 1.077 18 K CB 0.278 32.779 32.500 0.003 0.000 0.833 18 K HN -0.035 nan 8.250 nan 0.000 0.517 19 T N 4.654 119.206 114.554 -0.003 0.000 2.739 19 T HA 0.128 4.479 4.350 0.002 0.000 0.298 19 T C -2.375 172.322 174.700 -0.005 0.000 0.929 19 T CA -1.377 60.717 62.100 -0.011 0.000 1.014 19 T CB 0.880 69.740 68.868 -0.013 0.000 0.914 19 T HN 0.063 nan 8.240 nan 0.000 0.509 20 P HA 0.126 nan 4.420 nan 0.000 0.269 20 P C -0.343 176.961 177.300 0.006 0.000 1.252 20 P CA -0.315 62.785 63.100 0.001 0.000 0.780 20 P CB 0.432 32.133 31.700 0.001 0.000 0.829 21 V N 6.178 126.099 119.914 0.013 0.000 2.390 21 V HA 0.011 4.132 4.120 0.002 0.000 0.260 21 V C 0.984 177.100 176.094 0.037 0.000 1.043 21 V CA 0.131 62.446 62.300 0.024 0.000 1.047 21 V CB -0.503 31.334 31.823 0.024 0.000 1.066 21 V HN 0.412 nan 8.190 nan 0.000 0.481 22 I N 4.759 125.364 120.570 0.058 0.000 2.276 22 I HA 0.319 4.490 4.170 0.002 0.000 0.290 22 I C 0.487 176.701 176.117 0.163 0.000 1.109 22 I CA 0.770 62.123 61.300 0.090 0.000 1.229 22 I CB 0.528 38.596 38.000 0.113 0.000 1.452 22 I HN 0.604 nan 8.210 nan 0.000 0.497 23 S N 6.328 122.087 115.700 0.098 0.000 2.599 23 S HA 0.676 5.147 4.470 0.002 0.000 0.294 23 S C -0.010 174.584 174.600 -0.010 0.000 1.094 23 S CA -0.521 57.752 58.200 0.121 0.000 0.931 23 S CB 1.740 64.995 63.200 0.092 0.000 1.093 23 S HN 0.422 nan 8.310 nan 0.000 0.488 24 L N 3.580 124.787 121.223 -0.026 0.000 3.267 24 L HA 0.451 4.792 4.340 0.002 0.000 0.289 24 L C 0.141 176.998 176.870 -0.022 0.000 1.260 24 L CA 0.272 55.042 54.840 -0.117 0.000 1.034 24 L CB -0.631 41.245 42.059 -0.306 0.000 1.413 24 L HN 0.852 nan 8.230 nan 0.000 0.594 25 L N 0.999 122.238 121.223 0.026 0.000 3.898 25 L HA -0.214 4.127 4.340 0.002 0.000 0.407 25 L C 1.062 177.966 176.870 0.057 0.000 1.207 25 L CA 0.311 55.173 54.840 0.036 0.000 0.931 25 L CB -1.274 40.793 42.059 0.014 0.000 2.014 25 L HN 0.478 nan 8.230 nan 0.000 0.858 26 E N 1.524 121.783 120.200 0.098 0.000 2.416 26 E HA 0.526 4.877 4.350 0.002 0.000 0.254 26 E C 0.981 177.642 176.600 0.101 0.000 1.241 26 E CA 0.540 57.010 56.400 0.116 0.000 0.969 26 E CB 0.611 30.426 29.700 0.193 0.000 0.999 26 E HN 0.402 nan 8.360 nan 0.000 0.481 27 G N 0.189 109.049 108.800 0.100 0.000 2.693 27 G HA2 -0.254 3.707 3.960 0.002 0.000 0.226 27 G HA3 -0.254 3.707 3.960 0.002 0.000 0.226 27 G C 0.024 174.982 174.900 0.096 0.000 1.354 27 G CA 0.488 45.650 45.100 0.103 0.000 0.873 27 G HN 1.323 nan 8.290 nan 0.000 0.562 28 S N -0.785 114.982 115.700 0.111 0.000 3.521 28 S HA -0.194 4.277 4.470 0.002 0.000 0.362 28 S C 1.001 175.654 174.600 0.087 0.000 1.044 28 S CA 2.614 60.873 58.200 0.097 0.000 1.091 28 S CB -2.113 61.130 63.200 0.072 0.000 0.908 28 S HN 2.355 nan 8.310 nan 0.000 0.473 29 T N -0.556 114.056 114.554 0.097 0.000 2.868 29 T HA 0.514 4.865 4.350 0.002 0.000 0.292 29 T C -2.401 172.372 174.700 0.122 0.000 1.028 29 T CA -1.753 60.409 62.100 0.103 0.000 1.059 29 T CB 0.387 69.328 68.868 0.121 0.000 0.991 29 T HN -0.008 nan 8.240 nan 0.000 0.531 30 P HA 0.262 nan 4.420 nan 0.000 0.271 30 P C -0.860 176.548 177.300 0.181 0.000 1.216 30 P CA -0.556 62.639 63.100 0.158 0.000 0.776 30 P CB 0.296 32.105 31.700 0.182 0.000 0.881 31 L N 5.104 126.420 121.223 0.156 0.000 2.426 31 L HA 0.358 4.699 4.340 0.002 0.000 0.255 31 L C -0.631 176.354 176.870 0.192 0.000 1.080 31 L CA -0.201 54.739 54.840 0.167 0.000 0.960 31 L CB -0.708 41.431 42.059 0.133 0.000 1.326 31 L HN 0.244 nan 8.230 nan 0.000 0.441 32 I N 6.067 126.730 120.570 0.155 0.000 2.517 32 I HA 0.177 4.348 4.170 0.002 0.000 0.285 32 I C -1.786 174.365 176.117 0.058 0.000 1.106 32 I CA -1.383 59.976 61.300 0.099 0.000 1.402 32 I CB 0.491 38.516 38.000 0.042 0.000 1.399 32 I HN 0.432 nan 8.210 nan 0.000 0.535 33 P HA 0.213 nan 4.420 nan 0.000 0.281 33 P C -0.564 176.609 177.300 -0.213 0.000 1.286 33 P CA -0.205 62.748 63.100 -0.245 0.000 0.772 33 P CB 0.788 32.375 31.700 -0.188 0.000 0.862 34 L N 4.070 125.144 121.223 -0.248 0.000 2.417 34 L HA 0.182 4.523 4.340 0.002 0.000 0.268 34 L C 1.909 178.703 176.870 -0.127 0.000 1.158 34 L CA -0.320 54.432 54.840 -0.147 0.000 0.819 34 L CB 0.417 42.417 42.059 -0.097 0.000 1.112 34 L HN 0.338 nan 8.230 nan 0.000 0.458 35 K N 1.257 121.615 120.400 -0.071 0.000 2.155 35 K HA 0.036 4.357 4.320 0.002 0.000 0.203 35 K C 0.910 177.507 176.600 -0.005 0.000 1.052 35 K CA 0.962 57.224 56.287 -0.041 0.000 0.948 35 K CB 0.126 32.609 32.500 -0.029 0.000 0.728 35 K HN 0.883 nan 8.250 nan 0.000 0.448 36 G N 0.622 109.451 108.800 0.048 0.000 3.100 36 G HA2 0.225 4.186 3.960 0.002 0.000 0.174 36 G HA3 0.225 4.186 3.960 0.002 0.000 0.174 36 G C -2.817 172.123 174.900 0.066 0.000 1.136 36 G CA -0.695 44.455 45.100 0.083 0.000 0.881 36 G HN -0.161 nan 8.290 nan 0.000 0.616 37 P HA 0.093 nan 4.420 nan 0.000 0.272 37 P C 0.275 177.619 177.300 0.074 0.000 1.254 37 P CA -0.029 63.132 63.100 0.102 0.000 0.795 37 P CB 1.373 33.045 31.700 -0.046 0.000 1.022 38 E N 0.402 120.660 120.200 0.097 0.000 2.204 38 E HA -0.204 4.147 4.350 0.002 0.000 0.195 38 E C 1.318 177.940 176.600 0.036 0.000 0.990 38 E CA 1.359 57.795 56.400 0.060 0.000 0.821 38 E CB -0.007 29.730 29.700 0.063 0.000 0.750 38 E HN 0.355 nan 8.360 nan 0.000 0.477 39 E N 0.174 120.399 120.200 0.041 0.000 2.204 39 E HA -0.123 4.228 4.350 0.002 0.000 0.195 39 E C 1.670 178.269 176.600 -0.001 0.000 0.990 39 E CA 1.208 57.621 56.400 0.022 0.000 0.821 39 E CB -0.144 29.581 29.700 0.041 0.000 0.750 39 E HN 0.334 nan 8.360 nan 0.000 0.477 40 A N 0.518 123.331 122.820 -0.013 0.000 1.911 40 A HA 0.009 4.330 4.320 0.002 0.000 0.212 40 A C 2.090 179.666 177.584 -0.013 0.000 1.189 40 A CA 0.935 52.952 52.037 -0.033 0.000 0.639 40 A CB -0.233 18.727 19.000 -0.067 0.000 0.839 40 A HN 0.112 nan 8.150 nan 0.000 0.449 41 R N 1.051 121.550 120.500 -0.003 0.000 2.081 41 R HA -0.181 4.160 4.340 0.002 0.000 0.235 41 R C 2.090 178.394 176.300 0.007 0.000 1.131 41 R CA 1.949 58.051 56.100 0.004 0.000 0.960 41 R CB -0.300 30.007 30.300 0.012 0.000 0.856 41 R HN 0.606 nan 8.270 nan 0.000 0.436 42 K N 0.227 120.632 120.400 0.008 0.000 2.283 42 K HA -0.118 4.203 4.320 0.002 0.000 0.202 42 K C 0.974 177.577 176.600 0.005 0.000 1.048 42 K CA 1.372 57.663 56.287 0.007 0.000 0.948 42 K CB 0.078 32.582 32.500 0.007 0.000 0.742 42 K HN 0.130 nan 8.250 nan 0.000 0.458 43 K N 0.230 120.631 120.400 0.002 0.000 2.397 43 K HA 0.101 4.422 4.320 0.002 0.000 0.202 43 K C 0.256 176.861 176.600 0.008 0.000 1.022 43 K CA 0.356 56.644 56.287 0.001 0.000 1.141 43 K CB 0.796 33.292 32.500 -0.007 0.000 0.857 43 K HN 0.450 nan 8.250 nan 0.000 0.514 44 G N 2.208 111.016 108.800 0.012 0.000 2.198 44 G HA2 -0.265 3.696 3.960 0.002 0.000 0.260 44 G HA3 -0.265 3.696 3.960 0.002 0.000 0.260 44 G C 0.036 174.956 174.900 0.034 0.000 1.025 44 G CA -0.020 45.094 45.100 0.023 0.000 0.769 44 G HN 0.300 nan 8.290 nan 0.000 0.507 45 I N 0.857 121.440 120.570 0.021 0.000 2.304 45 I HA 0.313 4.484 4.170 0.002 0.000 0.291 45 I C 0.902 177.034 176.117 0.024 0.000 1.018 45 I CA -0.563 60.757 61.300 0.033 0.000 1.260 45 I CB 0.762 38.761 38.000 -0.002 0.000 1.390 45 I HN 0.032 nan 8.210 nan 0.000 0.475 46 R N 6.131 126.671 120.500 0.066 0.000 2.312 46 R HA 0.600 4.941 4.340 0.002 0.000 0.311 46 R C -1.148 175.156 176.300 0.007 0.000 1.004 46 R CA -0.941 55.163 56.100 0.007 0.000 0.902 46 R CB 1.434 31.773 30.300 0.065 0.000 1.073 46 R HN 0.351 nan 8.270 nan 0.000 0.457 47 L N 3.340 124.468 121.223 -0.157 0.000 2.331 47 L HA 0.463 4.804 4.340 0.002 0.000 0.275 47 L C -0.915 175.766 176.870 -0.314 0.000 1.022 47 L CA -0.512 54.266 54.840 -0.103 0.000 0.812 47 L CB 0.931 42.932 42.059 -0.096 0.000 1.257 47 L HN 0.436 nan 8.230 nan 0.000 0.435 48 Y N 0.674 120.968 120.300 -0.011 0.000 2.442 48 Y HA 0.725 5.276 4.550 0.002 0.000 0.344 48 Y C -0.078 175.811 175.900 -0.018 0.000 0.976 48 Y CA -1.108 56.987 58.100 -0.008 0.000 1.040 48 Y CB 2.098 40.557 38.460 -0.002 0.000 1.228 48 Y HN 0.575 nan 8.280 nan 0.000 0.451 49 A N 2.951 125.837 122.820 0.111 0.000 2.267 49 A HA 0.587 4.908 4.320 0.002 0.000 0.315 49 A C -0.678 176.973 177.584 0.112 0.000 1.297 49 A CA -0.941 51.133 52.037 0.061 0.000 0.865 49 A CB 0.482 19.456 19.000 -0.043 0.000 1.165 49 A HN 0.549 nan 8.150 nan 0.000 0.513 50 K N 2.445 122.929 120.400 0.141 0.000 2.262 50 K HA 0.121 4.442 4.320 0.002 0.000 0.288 50 K C -0.822 175.929 176.600 0.252 0.000 1.090 50 K CA -0.132 56.266 56.287 0.185 0.000 0.918 50 K CB -0.331 32.281 32.500 0.187 0.000 1.139 50 K HN 0.520 nan 8.250 nan 0.000 0.462 51 Y N 4.525 124.891 120.300 0.110 0.000 2.532 51 Y HA 0.044 4.595 4.550 0.002 0.000 0.337 51 Y C 0.478 176.458 175.900 0.133 0.000 1.274 51 Y CA -0.231 57.935 58.100 0.110 0.000 1.817 51 Y CB -0.034 38.485 38.460 0.098 0.000 1.769 51 Y HN 0.671 nan 8.280 nan 0.000 0.447 52 E N 1.703 122.122 120.200 0.365 0.000 2.418 52 E HA -0.070 4.281 4.350 0.002 0.000 0.197 52 E C 2.066 178.782 176.600 0.194 0.000 1.026 52 E CA 0.656 57.216 56.400 0.267 0.000 0.862 52 E CB -0.009 29.896 29.700 0.341 0.000 0.799 52 E HN 0.847 nan 8.360 nan 0.000 0.518 53 G N 0.506 109.422 108.800 0.193 0.000 2.559 53 G HA2 -0.143 3.818 3.960 0.002 0.000 0.216 53 G HA3 -0.143 3.818 3.960 0.002 0.000 0.216 53 G C 1.222 176.074 174.900 -0.081 0.000 1.126 53 G CA -0.036 45.120 45.100 0.093 0.000 0.778 53 G HN 0.210 nan 8.290 nan 0.000 0.543 54 L N 1.078 122.166 121.223 -0.225 0.000 2.805 54 L HA 0.234 4.575 4.340 0.002 0.000 0.237 54 L C 0.330 177.168 176.870 -0.054 0.000 1.252 54 L CA -0.431 54.294 54.840 -0.192 0.000 1.064 54 L CB -0.435 41.472 42.059 -0.254 0.000 1.361 54 L HN 0.073 nan 8.230 nan 0.000 0.474 55 N N 0.371 119.069 118.700 -0.004 0.000 2.476 55 N HA 0.225 4.966 4.740 0.002 0.000 0.275 55 N C -1.575 173.944 175.510 0.016 0.000 1.190 55 N CA -1.399 51.672 53.050 0.034 0.000 0.977 55 N CB 1.464 39.995 38.487 0.073 0.000 1.200 55 N HN -0.234 nan 8.380 nan 0.000 0.515 56 P HA -0.188 nan 4.420 nan 0.000 0.217 56 P C 1.105 178.407 177.300 0.004 0.000 1.158 56 P CA 2.284 65.384 63.100 -0.000 0.000 0.887 56 P CB 0.054 31.739 31.700 -0.024 0.000 0.792 57 T N -6.457 108.116 114.554 0.032 0.000 3.086 57 T HA 0.405 4.756 4.350 0.002 0.000 0.250 57 T C 1.384 176.097 174.700 0.022 0.000 1.074 57 T CA 0.510 62.633 62.100 0.038 0.000 0.988 57 T CB -0.218 68.678 68.868 0.046 0.000 0.988 57 T HN 0.281 nan 8.240 nan 0.000 0.530 58 G N 0.955 109.762 108.800 0.011 0.000 2.179 58 G HA2 -0.125 3.836 3.960 0.002 0.000 0.220 58 G HA3 -0.125 3.836 3.960 0.002 0.000 0.220 58 G C 0.158 175.085 174.900 0.046 0.000 0.990 58 G CA 0.140 45.252 45.100 0.019 0.000 0.646 58 G HN 1.475 nan 8.290 nan 0.000 0.517 59 S N -0.684 115.025 115.700 0.015 0.000 2.618 59 S HA 0.688 5.159 4.470 0.002 0.000 0.277 59 S C 0.805 175.389 174.600 -0.025 0.000 1.138 59 S CA -0.047 58.146 58.200 -0.012 0.000 0.844 59 S CB 1.129 64.240 63.200 -0.148 0.000 1.127 59 S HN 1.328 nan 8.310 nan 0.000 0.474 60 F N 0.767 120.758 119.950 0.068 0.000 2.333 60 F HA 0.236 4.764 4.527 0.002 0.000 0.300 60 F C 1.701 177.516 175.800 0.025 0.000 1.083 60 F CA 0.711 58.745 58.000 0.057 0.000 1.395 60 F CB -0.724 38.325 39.000 0.081 0.000 1.056 60 F HN 0.561 nan 8.300 nan 0.000 0.529 61 K N 0.639 120.568 120.400 -0.784 0.000 2.362 61 K HA -0.181 4.140 4.320 0.002 0.000 0.202 61 K C 1.260 177.729 176.600 -0.218 0.000 1.045 61 K CA 1.377 57.355 56.287 -0.515 0.000 0.936 61 K CB -0.476 31.708 32.500 -0.528 0.000 0.747 61 K HN 0.361 nan 8.250 nan 0.000 0.467 62 D N 0.595 120.922 120.400 -0.122 0.000 2.218 62 D HA -0.119 4.522 4.640 0.002 0.000 0.204 62 D C 1.806 178.012 176.300 -0.158 0.000 0.976 62 D CA 0.894 54.837 54.000 -0.096 0.000 0.853 62 D CB 0.012 40.905 40.800 0.154 0.000 0.939 62 D HN 0.211 nan 8.370 nan 0.000 0.481 63 R N 0.161 120.642 120.500 -0.032 0.000 2.083 63 R HA -0.073 4.268 4.340 0.002 0.000 0.237 63 R C 2.375 178.629 176.300 -0.075 0.000 1.137 63 R CA 1.452 57.542 56.100 -0.016 0.000 0.951 63 R CB -0.499 29.829 30.300 0.047 0.000 0.851 63 R HN 0.169 nan 8.270 nan 0.000 0.434 64 G N 0.103 108.864 108.800 -0.066 0.000 2.464 64 G HA2 -0.207 3.754 3.960 0.002 0.000 0.217 64 G HA3 -0.207 3.754 3.960 0.002 0.000 0.217 64 G C 1.294 176.101 174.900 -0.155 0.000 1.138 64 G CA 0.115 45.174 45.100 -0.069 0.000 0.793 64 G HN 0.105 nan 8.290 nan 0.000 0.539 65 M N 0.840 120.263 119.600 -0.295 0.000 2.175 65 M HA 0.049 4.530 4.480 0.002 0.000 0.264 65 M C 2.564 178.489 176.300 -0.625 0.000 1.063 65 M CA 1.714 56.740 55.300 -0.456 0.000 1.119 65 M CB -0.769 31.467 32.600 -0.606 0.000 1.377 65 M HN 0.183 nan 8.290 nan 0.000 0.415 66 T N -0.394 113.705 114.554 -0.759 0.000 2.720 66 T HA -0.149 4.202 4.350 0.002 0.000 0.268 66 T C 1.667 176.274 174.700 -0.154 0.000 1.037 66 T CA 1.781 63.623 62.100 -0.430 0.000 1.144 66 T CB -0.281 68.529 68.868 -0.097 0.000 0.864 66 T HN 0.353 nan 8.240 nan 0.000 0.444 67 L N 0.997 122.141 121.223 -0.132 0.000 2.095 67 L HA 0.357 4.698 4.340 0.002 0.000 0.204 67 L C 2.714 179.510 176.870 -0.122 0.000 1.080 67 L CA 1.923 56.712 54.840 -0.085 0.000 0.759 67 L CB -1.209 40.829 42.059 -0.035 0.000 0.914 67 L HN 0.279 nan 8.230 nan 0.000 0.439 68 A N -0.924 121.844 122.820 -0.086 0.000 1.883 68 A HA -0.173 4.148 4.320 0.002 0.000 0.217 68 A C 2.234 179.772 177.584 -0.077 0.000 1.186 68 A CA 2.259 54.272 52.037 -0.040 0.000 0.624 68 A CB -1.134 17.862 19.000 -0.006 0.000 0.822 68 A HN 0.307 nan 8.150 nan 0.000 0.444 69 V N -0.355 119.510 119.914 -0.082 0.000 2.358 69 V HA -0.190 3.931 4.120 0.002 0.000 0.246 69 V C 2.770 178.842 176.094 -0.036 0.000 1.047 69 V CA 2.175 64.455 62.300 -0.034 0.000 1.035 69 V CB -0.861 30.972 31.823 0.016 0.000 0.658 69 V HN 0.553 nan 8.190 nan 0.000 0.452 70 S N -0.172 115.500 115.700 -0.048 0.000 2.359 70 S HA -0.212 4.259 4.470 0.002 0.000 0.224 70 S C 2.075 176.622 174.600 -0.089 0.000 1.035 70 S CA 1.396 59.569 58.200 -0.045 0.000 1.018 70 S CB -0.297 62.880 63.200 -0.039 0.000 0.876 70 S HN 0.456 nan 8.310 nan 0.000 0.448 71 K N 1.709 121.999 120.400 -0.184 0.000 2.057 71 K HA 0.116 4.437 4.320 0.002 0.000 0.206 71 K C 2.328 178.844 176.600 -0.139 0.000 1.050 71 K CA 1.188 57.319 56.287 -0.260 0.000 0.935 71 K CB -0.911 31.157 32.500 -0.720 0.000 0.715 71 K HN 0.364 nan 8.250 nan 0.000 0.439 72 A N 1.167 123.930 122.820 -0.095 0.000 1.908 72 A HA -0.133 4.188 4.320 0.002 0.000 0.218 72 A C 2.517 180.095 177.584 -0.011 0.000 1.181 72 A CA 1.772 53.796 52.037 -0.022 0.000 0.627 72 A CB -0.708 18.291 19.000 -0.001 0.000 0.818 72 A HN 0.067 nan 8.150 nan 0.000 0.445 73 V N -0.073 119.831 119.914 -0.016 0.000 2.427 73 V HA -0.243 3.878 4.120 0.002 0.000 0.248 73 V C 2.476 178.565 176.094 -0.007 0.000 1.051 73 V CA 2.167 64.464 62.300 -0.004 0.000 1.048 73 V CB -0.698 31.125 31.823 -0.000 0.000 0.666 73 V HN 0.749 nan 8.190 nan 0.000 0.456 74 E N 0.541 120.728 120.200 -0.021 0.000 2.110 74 E HA -0.191 4.160 4.350 0.002 0.000 0.193 74 E C 2.146 178.742 176.600 -0.007 0.000 0.988 74 E CA 1.306 57.695 56.400 -0.018 0.000 0.804 74 E CB -0.353 29.327 29.700 -0.033 0.000 0.745 74 E HN 0.603 nan 8.360 nan 0.000 0.458 75 G N -0.666 108.131 108.800 -0.005 0.000 2.848 75 G HA2 0.048 4.009 3.960 0.002 0.000 0.208 75 G HA3 0.048 4.009 3.960 0.002 0.000 0.208 75 G C 0.994 175.903 174.900 0.014 0.000 1.152 75 G CA 0.395 45.501 45.100 0.010 0.000 0.789 75 G HN 0.502 nan 8.290 nan 0.000 0.531 76 G N -1.306 107.500 108.800 0.011 0.000 2.132 76 G HA2 0.123 4.084 3.960 0.002 0.000 0.234 76 G HA3 0.123 4.084 3.960 0.002 0.000 0.234 76 G C 0.470 175.383 174.900 0.022 0.000 0.989 76 G CA 0.180 45.288 45.100 0.015 0.000 0.676 76 G HN 1.337 nan 8.290 nan 0.000 0.522 77 A N -0.352 122.481 122.820 0.023 0.000 2.477 77 A HA 0.609 4.930 4.320 0.002 0.000 0.246 77 A C 1.154 178.757 177.584 0.031 0.000 1.078 77 A CA 0.946 53.002 52.037 0.031 0.000 0.770 77 A CB 0.314 19.332 19.000 0.030 0.000 1.011 77 A HN 0.520 nan 8.150 nan 0.000 0.494 78 Q N 0.250 120.074 119.800 0.040 0.000 2.408 78 Q HA 0.373 4.714 4.340 0.002 0.000 0.205 78 Q C 0.229 176.248 176.000 0.031 0.000 0.919 78 Q CA 0.819 56.644 55.803 0.037 0.000 0.932 78 Q CB 0.299 29.066 28.738 0.049 0.000 1.058 78 Q HN 0.922 nan 8.270 nan 0.000 0.517 79 A N -0.004 122.835 122.820 0.031 0.000 2.590 79 A HA 0.491 4.812 4.320 0.002 0.000 0.294 79 A C -1.164 176.433 177.584 0.022 0.000 1.046 79 A CA -0.807 51.243 52.037 0.022 0.000 0.684 79 A CB 0.801 19.808 19.000 0.013 0.000 1.279 79 A HN 0.040 nan 8.150 nan 0.000 0.415 80 V N -1.253 118.671 119.914 0.017 0.000 2.732 80 V HA 1.012 5.133 4.120 0.002 0.000 0.310 80 V C 0.231 176.331 176.094 0.009 0.000 1.053 80 V CA -0.123 62.186 62.300 0.016 0.000 0.957 80 V CB 1.127 32.958 31.823 0.014 0.000 1.018 80 V HN 2.412 nan 8.190 nan 0.000 0.452 81 A N 2.409 125.234 122.820 0.008 0.000 2.498 81 A HA 0.989 5.310 4.320 0.002 0.000 0.298 81 A C -0.353 177.233 177.584 0.004 0.000 1.075 81 A CA -0.023 52.015 52.037 0.002 0.000 0.714 81 A CB 1.623 20.620 19.000 -0.005 0.000 1.299 81 A HN 2.474 nan 8.150 nan 0.000 0.407 82 C N -1.093 118.209 119.300 0.005 0.000 3.170 82 C HA 0.875 5.336 4.460 0.002 0.000 0.319 82 C C 0.101 175.103 174.990 0.019 0.000 1.260 82 C CA -0.031 58.994 59.018 0.012 0.000 1.374 82 C CB 1.103 28.851 27.740 0.013 0.000 1.739 82 C HN 1.974 nan 8.230 nan 0.000 0.479 83 A N 2.156 124.996 122.820 0.034 0.000 3.232 83 A HA 0.795 5.116 4.320 0.002 0.000 0.312 83 A C 0.255 177.915 177.584 0.126 0.000 1.185 83 A CA 0.480 52.552 52.037 0.059 0.000 1.011 83 A CB -0.801 18.209 19.000 0.016 0.000 1.096 83 A HN 2.144 nan 8.150 nan 0.000 0.543 84 S N -0.882 114.868 115.700 0.084 0.000 2.615 84 S HA 0.811 5.282 4.470 0.002 0.000 0.269 84 S C -0.196 174.425 174.600 0.035 0.000 1.161 84 S CA 0.064 58.311 58.200 0.078 0.000 0.817 84 S CB 1.269 64.512 63.200 0.072 0.000 1.131 84 S HN 1.006 nan 8.310 nan 0.000 0.467 85 T N -1.835 112.729 114.554 0.016 0.000 2.768 85 T HA 0.917 5.268 4.350 0.002 0.000 0.268 85 T C 1.065 175.761 174.700 -0.008 0.000 0.969 85 T CA 0.025 62.123 62.100 -0.002 0.000 1.008 85 T CB 0.477 69.333 68.868 -0.021 0.000 1.371 85 T HN 2.526 nan 8.240 nan 0.000 0.587 86 G N 1.087 109.880 108.800 -0.012 0.000 2.539 86 G HA2 -0.288 3.673 3.960 0.002 0.000 0.256 86 G HA3 -0.288 3.673 3.960 0.002 0.000 0.256 86 G C 0.607 175.498 174.900 -0.014 0.000 1.233 86 G CA 0.358 45.450 45.100 -0.013 0.000 0.936 86 G HN 0.832 nan 8.290 nan 0.000 0.571 87 N N -0.033 118.649 118.700 -0.030 0.000 2.104 87 N HA -0.102 4.639 4.740 0.002 0.000 0.190 87 N C 2.394 177.864 175.510 -0.067 0.000 1.024 87 N CA 2.222 55.240 53.050 -0.053 0.000 0.853 87 N CB -0.958 37.472 38.487 -0.096 0.000 1.008 87 N HN 0.643 nan 8.380 nan 0.000 0.424 88 T N 1.254 115.768 114.554 -0.068 0.000 2.684 88 T HA -0.099 4.252 4.350 0.002 0.000 0.267 88 T C 1.999 176.680 174.700 -0.031 0.000 1.036 88 T CA 1.572 63.635 62.100 -0.062 0.000 1.148 88 T CB -0.371 68.476 68.868 -0.036 0.000 0.863 88 T HN 0.388 nan 8.240 nan 0.000 0.436 89 A N 1.334 124.146 122.820 -0.012 0.000 1.898 89 A HA 0.184 4.505 4.320 0.002 0.000 0.216 89 A C 2.654 180.246 177.584 0.014 0.000 1.181 89 A CA 1.833 53.872 52.037 0.004 0.000 0.620 89 A CB -1.132 17.874 19.000 0.010 0.000 0.819 89 A HN 0.507 nan 8.150 nan 0.000 0.442 90 A N -0.835 121.997 122.820 0.019 0.000 1.877 90 A HA -0.122 4.199 4.320 0.002 0.000 0.216 90 A C 2.506 180.093 177.584 0.004 0.000 1.186 90 A CA 2.262 54.329 52.037 0.051 0.000 0.620 90 A CB -1.009 18.026 19.000 0.058 0.000 0.822 90 A HN 0.556 nan 8.150 nan 0.000 0.443 91 S N -0.564 115.136 115.700 -0.001 0.000 2.356 91 S HA -0.030 4.441 4.470 0.002 0.000 0.223 91 S C 2.218 176.867 174.600 0.082 0.000 1.032 91 S CA 1.596 59.821 58.200 0.041 0.000 1.005 91 S CB -0.514 62.670 63.200 -0.027 0.000 0.867 91 S HN 0.823 nan 8.310 nan 0.000 0.449 92 A N 1.415 124.243 122.820 0.013 0.000 1.902 92 A HA 0.145 4.466 4.320 0.002 0.000 0.217 92 A C 2.464 180.061 177.584 0.022 0.000 1.181 92 A CA 1.971 54.019 52.037 0.018 0.000 0.623 92 A CB -1.415 17.584 19.000 -0.003 0.000 0.818 92 A HN 0.759 nan 8.150 nan 0.000 0.443 93 A N -0.231 122.583 122.820 -0.011 0.000 1.902 93 A HA 0.157 4.478 4.320 0.002 0.000 0.217 93 A C 2.498 179.985 177.584 -0.160 0.000 1.181 93 A CA 2.121 54.143 52.037 -0.025 0.000 0.623 93 A CB -0.977 18.049 19.000 0.044 0.000 0.818 93 A HN 1.054 nan 8.150 nan 0.000 0.443 94 A N -1.470 121.107 122.820 -0.406 0.000 1.902 94 A HA -0.060 4.261 4.320 0.002 0.000 0.217 94 A C 2.067 179.435 177.584 -0.360 0.000 1.181 94 A CA 1.547 53.141 52.037 -0.738 0.000 0.623 94 A CB -0.757 17.757 19.000 -0.809 0.000 0.818 94 A HN 0.574 nan 8.150 nan 0.000 0.443 95 Y N -0.304 119.883 120.300 -0.189 0.000 2.395 95 Y HA 0.092 4.643 4.550 0.002 0.000 0.293 95 Y C 2.777 178.633 175.900 -0.074 0.000 1.123 95 Y CA 0.514 58.551 58.100 -0.106 0.000 1.227 95 Y CB -0.339 38.073 38.460 -0.080 0.000 1.012 95 Y HN 0.331 nan 8.280 nan 0.000 0.552 96 A N -0.044 122.811 122.820 0.058 0.000 1.930 96 A HA -0.060 4.261 4.320 0.002 0.000 0.217 96 A C 2.408 179.995 177.584 0.005 0.000 1.175 96 A CA 1.530 53.586 52.037 0.032 0.000 0.627 96 A CB -1.042 17.972 19.000 0.023 0.000 0.815 96 A HN 0.358 nan 8.150 nan 0.000 0.443 97 A N -0.340 122.467 122.820 -0.021 0.000 1.969 97 A HA -0.092 4.229 4.320 0.002 0.000 0.218 97 A C 2.162 179.728 177.584 -0.029 0.000 1.169 97 A CA 1.923 53.953 52.037 -0.012 0.000 0.635 97 A CB -0.364 18.644 19.000 0.014 0.000 0.810 97 A HN 0.445 nan 8.150 nan 0.000 0.445 98 R N 0.044 120.502 120.500 -0.069 0.000 2.090 98 R HA 0.107 4.448 4.340 0.002 0.000 0.228 98 R C 1.997 178.280 176.300 -0.028 0.000 1.110 98 R CA 1.701 57.756 56.100 -0.076 0.000 0.973 98 R CB -0.653 29.551 30.300 -0.160 0.000 0.869 98 R HN 0.351 nan 8.270 nan 0.000 0.440 99 A N -1.055 121.763 122.820 -0.002 0.000 2.016 99 A HA 0.261 4.582 4.320 0.002 0.000 0.217 99 A C 1.491 179.080 177.584 0.009 0.000 1.162 99 A CA 0.899 52.945 52.037 0.014 0.000 0.662 99 A CB -0.456 18.564 19.000 0.032 0.000 0.812 99 A HN 0.564 nan 8.150 nan 0.000 0.450 100 G N -0.689 108.114 108.800 0.006 0.000 2.130 100 G HA2 -0.188 3.773 3.960 0.002 0.000 0.216 100 G HA3 -0.188 3.773 3.960 0.002 0.000 0.216 100 G C 0.164 175.071 174.900 0.011 0.000 0.999 100 G CA 0.288 45.392 45.100 0.007 0.000 0.686 100 G HN 1.367 nan 8.290 nan 0.000 0.515 101 I N -2.434 118.144 120.570 0.014 0.000 3.023 101 I HA 0.838 5.009 4.170 0.002 0.000 0.312 101 I C 0.589 176.716 176.117 0.015 0.000 1.056 101 I CA -1.817 59.492 61.300 0.016 0.000 1.033 101 I CB 1.371 39.382 38.000 0.019 0.000 1.233 101 I HN -0.075 nan 8.210 nan 0.000 0.462 102 L N 2.415 123.646 121.223 0.014 0.000 2.453 102 L HA 0.576 4.917 4.340 0.002 0.000 0.261 102 L C 0.257 177.133 176.870 0.010 0.000 1.179 102 L CA -0.519 54.327 54.840 0.010 0.000 0.813 102 L CB 1.082 43.143 42.059 0.003 0.000 1.110 102 L HN 0.826 nan 8.230 nan 0.000 0.466 103 A N 4.027 126.853 122.820 0.009 0.000 2.310 103 A HA 0.670 4.991 4.320 0.002 0.000 0.304 103 A C -0.643 176.943 177.584 0.002 0.000 1.231 103 A CA -0.429 51.613 52.037 0.010 0.000 0.799 103 A CB 0.376 19.386 19.000 0.016 0.000 1.162 103 A HN 0.589 nan 8.150 nan 0.000 0.486 104 I N 2.562 123.129 120.570 -0.005 0.000 2.359 104 I HA 0.424 4.595 4.170 0.002 0.000 0.294 104 I C -0.679 175.433 176.117 -0.008 0.000 0.987 104 I CA -0.815 60.476 61.300 -0.014 0.000 1.225 104 I CB 1.928 39.909 38.000 -0.032 0.000 1.366 104 I HN 0.272 nan 8.210 nan 0.000 0.466 105 V N 7.228 127.138 119.914 -0.007 0.000 2.380 105 V HA 0.264 4.385 4.120 0.002 0.000 0.286 105 V C -0.060 176.033 176.094 -0.001 0.000 1.015 105 V CA -0.660 61.640 62.300 0.001 0.000 0.834 105 V CB 1.668 33.494 31.823 0.006 0.000 1.009 105 V HN 0.402 nan 8.190 nan 0.000 0.428 106 V N 7.054 126.968 119.914 -0.000 0.000 2.432 106 V HA 0.565 4.686 4.120 0.002 0.000 0.275 106 V C -0.070 176.037 176.094 0.022 0.000 1.043 106 V CA -0.192 62.107 62.300 -0.001 0.000 0.925 106 V CB 1.269 33.083 31.823 -0.015 0.000 0.985 106 V HN 0.652 nan 8.190 nan 0.000 0.466 107 L N 6.319 127.557 121.223 0.025 0.000 2.424 107 L HA 0.580 4.921 4.340 0.002 0.000 0.258 107 L C -2.590 174.308 176.870 0.045 0.000 0.995 107 L CA -1.963 52.907 54.840 0.049 0.000 0.821 107 L CB 3.211 45.291 42.059 0.035 0.000 1.383 107 L HN 0.376 nan 8.230 nan 0.000 0.410 108 P HA 0.036 nan 4.420 nan 0.000 0.272 108 P C 0.052 177.379 177.300 0.044 0.000 1.223 108 P CA -0.279 62.857 63.100 0.061 0.000 0.784 108 P CB 1.122 32.875 31.700 0.089 0.000 0.923 109 A N 2.885 125.728 122.820 0.039 0.000 2.259 109 A HA 0.058 4.379 4.320 0.002 0.000 0.212 109 A C 1.476 179.089 177.584 0.049 0.000 1.178 109 A CA 1.031 53.090 52.037 0.036 0.000 0.734 109 A CB -1.375 17.644 19.000 0.032 0.000 0.774 109 A HN 0.683 nan 8.150 nan 0.000 0.481 110 G N -1.174 107.661 108.800 0.058 0.000 2.379 110 G HA2 0.172 4.133 3.960 0.002 0.000 0.287 110 G HA3 0.172 4.133 3.960 0.002 0.000 0.287 110 G C -0.020 174.948 174.900 0.113 0.000 1.422 110 G CA -0.010 45.141 45.100 0.084 0.000 1.081 110 G HN 0.411 nan 8.290 nan 0.000 0.569 111 Y N -0.645 119.661 120.300 0.010 0.000 2.336 111 Y HA 0.475 5.025 4.550 0.001 0.000 0.335 111 Y C -0.214 175.689 175.900 0.006 0.000 1.046 111 Y CA -0.908 57.196 58.100 0.007 0.000 1.198 111 Y CB 1.222 39.684 38.460 0.004 0.000 1.182 111 Y HN 0.300 nan 8.280 nan 0.000 0.502 112 V N 7.081 126.620 119.914 -0.625 0.000 2.482 112 V HA 0.767 4.888 4.120 0.002 0.000 0.295 112 V C -0.750 174.944 176.094 -0.666 0.000 1.026 112 V CA -0.551 61.414 62.300 -0.558 0.000 0.856 112 V CB 0.824 32.511 31.823 -0.226 0.000 1.001 112 V HN 1.119 nan 8.190 nan 0.000 0.424 113 A N 6.038 128.472 122.820 -0.643 0.000 2.454 113 A HA 0.451 4.772 4.320 0.002 0.000 0.260 113 A C 0.858 178.341 177.584 -0.168 0.000 1.106 113 A CA -0.200 51.629 52.037 -0.347 0.000 0.780 113 A CB 0.392 19.285 19.000 -0.177 0.000 1.044 113 A HN 1.021 nan 8.150 nan 0.000 0.498 114 L N 3.427 124.591 121.223 -0.098 0.000 2.263 114 L HA -0.132 4.209 4.340 0.002 0.000 0.216 114 L C 2.571 179.418 176.870 -0.039 0.000 1.111 114 L CA 2.231 57.039 54.840 -0.055 0.000 0.773 114 L CB -0.791 41.254 42.059 -0.024 0.000 0.906 114 L HN 0.877 nan 8.230 nan 0.000 0.439 115 G N -1.013 107.768 108.800 -0.033 0.000 2.443 115 G HA2 -0.219 3.742 3.960 0.002 0.000 0.219 115 G HA3 -0.219 3.742 3.960 0.002 0.000 0.219 115 G C 1.679 176.566 174.900 -0.022 0.000 1.131 115 G CA 0.315 45.405 45.100 -0.016 0.000 0.775 115 G HN 0.377 nan 8.290 nan 0.000 0.547 116 K N -0.129 120.246 120.400 -0.042 0.000 2.459 116 K HA 0.126 4.447 4.320 0.002 0.000 0.193 116 K C 1.640 178.223 176.600 -0.029 0.000 1.030 116 K CA 0.916 57.180 56.287 -0.038 0.000 1.026 116 K CB 0.417 32.881 32.500 -0.060 0.000 0.809 116 K HN 0.436 nan 8.250 nan 0.000 0.504 117 V N -5.479 114.418 119.914 -0.029 0.000 3.392 117 V HA 0.345 4.466 4.120 0.002 0.000 0.294 117 V C 1.633 177.722 176.094 -0.008 0.000 1.561 117 V CA 0.257 62.547 62.300 -0.015 0.000 1.056 117 V CB 0.394 32.202 31.823 -0.024 0.000 0.882 117 V HN 0.011 nan 8.190 nan 0.000 0.440 118 A N 0.974 123.785 122.820 -0.014 0.000 1.892 118 A HA -0.306 4.015 4.320 0.002 0.000 0.218 118 A C 2.200 179.773 177.584 -0.018 0.000 1.188 118 A CA 2.720 54.747 52.037 -0.016 0.000 0.631 118 A CB -0.633 18.358 19.000 -0.016 0.000 0.822 118 A HN 0.701 nan 8.150 nan 0.000 0.447 119 Q N 0.222 120.019 119.800 -0.004 0.000 2.050 119 Q HA -0.192 4.149 4.340 0.002 0.000 0.202 119 Q C 2.223 178.268 176.000 0.075 0.000 0.980 119 Q CA 2.567 58.373 55.803 0.006 0.000 0.840 119 Q CB -0.257 28.507 28.738 0.044 0.000 0.898 119 Q HN 0.784 nan 8.270 nan 0.000 0.424 120 S N 0.033 115.789 115.700 0.094 0.000 2.399 120 S HA -0.130 4.341 4.470 0.002 0.000 0.231 120 S C 1.944 176.600 174.600 0.094 0.000 1.022 120 S CA 1.004 59.281 58.200 0.128 0.000 0.983 120 S CB -0.479 62.760 63.200 0.065 0.000 0.803 120 S HN 0.442 nan 8.310 nan 0.000 0.480 121 L N 0.789 122.032 121.223 0.034 0.000 2.056 121 L HA 0.027 4.368 4.340 0.002 0.000 0.207 121 L C 2.806 179.669 176.870 -0.011 0.000 1.078 121 L CA 1.068 55.914 54.840 0.011 0.000 0.749 121 L CB -0.636 41.419 42.059 -0.007 0.000 0.901 121 L HN 0.314 nan 8.230 nan 0.000 0.433 122 V N -0.580 119.295 119.914 -0.065 0.000 2.568 122 V HA -0.302 3.819 4.120 0.002 0.000 0.253 122 V C 2.437 178.440 176.094 -0.151 0.000 1.072 122 V CA 1.750 63.970 62.300 -0.133 0.000 1.084 122 V CB -0.626 31.067 31.823 -0.216 0.000 0.676 122 V HN 0.493 nan 8.190 nan 0.000 0.469 123 H N -0.106 118.954 119.070 -0.017 0.000 2.529 123 H HA 0.196 4.753 4.556 0.002 0.000 0.277 123 H C 1.854 177.173 175.328 -0.015 0.000 0.999 123 H CA 0.940 56.976 56.048 -0.019 0.000 1.256 123 H CB 0.333 30.085 29.762 -0.017 0.000 1.402 123 H HN 0.607 nan 8.280 nan 0.000 0.566 124 G N 0.040 108.893 108.800 0.088 0.000 2.154 124 G HA2 -0.169 3.792 3.960 0.002 0.000 0.186 124 G HA3 -0.169 3.792 3.960 0.002 0.000 0.186 124 G C 0.443 175.368 174.900 0.043 0.000 1.000 124 G CA 0.082 45.211 45.100 0.049 0.000 0.664 124 G HN 0.639 nan 8.290 nan 0.000 0.513 125 A N 0.371 123.223 122.820 0.054 0.000 2.531 125 A HA 0.545 4.866 4.320 0.002 0.000 0.236 125 A C 0.821 178.414 177.584 0.016 0.000 1.062 125 A CA 0.353 52.411 52.037 0.035 0.000 0.760 125 A CB 0.227 19.250 19.000 0.040 0.000 0.995 125 A HN 0.342 nan 8.150 nan 0.000 0.501 126 R N 2.363 122.866 120.500 0.006 0.000 2.391 126 R HA 0.282 4.623 4.340 0.002 0.000 0.310 126 R C -0.800 175.495 176.300 -0.008 0.000 1.174 126 R CA 0.045 56.142 56.100 -0.005 0.000 1.118 126 R CB 0.068 30.359 30.300 -0.014 0.000 1.134 126 R HN 0.665 nan 8.270 nan 0.000 0.524 127 I N 3.024 123.590 120.570 -0.006 0.000 2.352 127 I HA 0.165 4.336 4.170 0.002 0.000 0.290 127 I C 0.162 176.272 176.117 -0.011 0.000 1.036 127 I CA -0.641 60.655 61.300 -0.007 0.000 1.336 127 I CB 1.345 39.341 38.000 -0.007 0.000 1.407 127 I HN -0.015 nan 8.210 nan 0.000 0.497 128 V N 6.756 126.662 119.914 -0.013 0.000 2.378 128 V HA 0.275 4.396 4.120 0.002 0.000 0.288 128 V C -0.105 175.984 176.094 -0.008 0.000 1.016 128 V CA -0.681 61.610 62.300 -0.016 0.000 0.840 128 V CB 1.404 33.209 31.823 -0.029 0.000 0.994 128 V HN 0.688 nan 8.190 nan 0.000 0.431 129 Q N 3.060 122.858 119.800 -0.004 0.000 2.278 129 Q HA 0.641 4.982 4.340 0.002 0.000 0.257 129 Q C -0.561 175.442 176.000 0.005 0.000 0.928 129 Q CA -0.465 55.341 55.803 0.005 0.000 0.932 129 Q CB 2.421 31.163 28.738 0.007 0.000 1.221 129 Q HN 0.785 nan 8.270 nan 0.000 0.434 130 V N -0.118 119.802 119.914 0.010 0.000 2.815 130 V HA 0.425 4.546 4.120 0.002 0.000 0.314 130 V C -0.335 175.769 176.094 0.017 0.000 1.064 130 V CA -1.059 61.246 62.300 0.009 0.000 0.952 130 V CB 1.891 33.716 31.823 0.003 0.000 1.020 130 V HN 0.650 nan 8.190 nan 0.000 0.439 131 E N 2.719 122.928 120.200 0.015 0.000 2.222 131 E HA 0.558 4.909 4.350 0.002 0.000 0.312 131 E C 0.436 177.049 176.600 0.021 0.000 1.263 131 E CA 0.806 57.218 56.400 0.019 0.000 1.356 131 E CB -0.011 29.698 29.700 0.016 0.000 1.180 131 E HN 1.094 nan 8.360 nan 0.000 0.494 132 G N 0.874 109.690 108.800 0.027 0.000 2.706 132 G HA2 0.273 4.234 3.960 0.002 0.000 0.307 132 G HA3 0.273 4.234 3.960 0.002 0.000 0.307 132 G C -1.098 173.831 174.900 0.047 0.000 1.307 132 G CA -0.878 44.240 45.100 0.030 0.000 0.790 132 G HN 0.296 nan 8.290 nan 0.000 0.503 133 N N -1.309 117.423 118.700 0.054 0.000 2.525 133 N HA 0.308 5.049 4.740 0.002 0.000 0.288 133 N C 0.827 176.414 175.510 0.128 0.000 1.242 133 N CA -0.847 52.259 53.050 0.094 0.000 0.905 133 N CB 1.593 40.135 38.487 0.091 0.000 1.258 133 N HN 0.336 nan 8.380 nan 0.000 0.551 134 F N 0.673 120.631 119.950 0.013 0.000 2.184 134 F HA -0.247 4.281 4.527 0.001 0.000 0.301 134 F C 2.151 177.958 175.800 0.013 0.000 1.076 134 F CA 2.520 60.528 58.000 0.013 0.000 1.295 134 F CB -0.901 38.109 39.000 0.016 0.000 1.026 134 F HN 0.727 nan 8.300 nan 0.000 0.494 135 D N -0.765 119.605 120.400 -0.050 0.000 2.123 135 D HA -0.164 4.477 4.640 0.002 0.000 0.200 135 D C 1.750 177.970 176.300 -0.132 0.000 0.976 135 D CA 1.413 55.327 54.000 -0.145 0.000 0.831 135 D CB -0.783 39.999 40.800 -0.030 0.000 0.974 135 D HN 0.342 nan 8.370 nan 0.000 0.469 136 D N 0.032 120.396 120.400 -0.060 0.000 2.117 136 D HA 0.060 4.701 4.640 0.002 0.000 0.198 136 D C 2.520 178.782 176.300 -0.063 0.000 0.982 136 D CA 1.489 55.462 54.000 -0.045 0.000 0.828 136 D CB -0.502 40.292 40.800 -0.011 0.000 0.967 136 D HN 0.452 nan 8.370 nan 0.000 0.464 137 A N 0.737 123.518 122.820 -0.065 0.000 1.902 137 A HA -0.112 4.209 4.320 0.002 0.000 0.217 137 A C 2.235 179.749 177.584 -0.115 0.000 1.181 137 A CA 0.933 52.934 52.037 -0.059 0.000 0.623 137 A CB -0.828 18.173 19.000 0.002 0.000 0.818 137 A HN 0.282 nan 8.150 nan 0.000 0.443 138 L N -1.125 119.954 121.223 -0.239 0.000 2.313 138 L HA -0.099 4.242 4.340 0.002 0.000 0.214 138 L C 3.086 179.865 176.870 -0.151 0.000 1.119 138 L CA 1.203 55.894 54.840 -0.249 0.000 0.809 138 L CB -0.303 41.479 42.059 -0.462 0.000 0.933 138 L HN 0.499 nan 8.230 nan 0.000 0.449 139 R N 0.083 120.506 120.500 -0.129 0.000 2.062 139 R HA -0.056 4.285 4.340 0.002 0.000 0.229 139 R C 1.864 178.136 176.300 -0.048 0.000 1.128 139 R CA 1.587 57.641 56.100 -0.077 0.000 0.960 139 R CB -1.576 28.686 30.300 -0.064 0.000 0.855 139 R HN 0.424 nan 8.270 nan 0.000 0.432 140 L N 0.993 122.189 121.223 -0.045 0.000 2.191 140 L HA -0.125 4.216 4.340 0.002 0.000 0.212 140 L C 2.693 179.546 176.870 -0.028 0.000 1.103 140 L CA 1.816 56.639 54.840 -0.028 0.000 0.769 140 L CB -0.505 41.537 42.059 -0.029 0.000 0.908 140 L HN 0.385 nan 8.230 nan 0.000 0.438 141 T N -1.389 113.142 114.554 -0.039 0.000 2.746 141 T HA -0.188 4.163 4.350 0.002 0.000 0.267 141 T C 1.950 176.641 174.700 -0.014 0.000 1.039 141 T CA 0.985 63.066 62.100 -0.031 0.000 1.142 141 T CB -0.090 68.755 68.868 -0.039 0.000 0.866 141 T HN 0.253 nan 8.240 nan 0.000 0.444 142 Q N 1.053 120.842 119.800 -0.018 0.000 2.020 142 Q HA -0.088 4.253 4.340 0.002 0.000 0.202 142 Q C 2.960 178.971 176.000 0.019 0.000 0.982 142 Q CA 2.126 57.927 55.803 -0.003 0.000 0.838 142 Q CB -0.645 28.084 28.738 -0.015 0.000 0.899 142 Q HN 0.660 nan 8.270 nan 0.000 0.423 143 K N 0.892 121.305 120.400 0.021 0.000 2.152 143 K HA -0.139 4.182 4.320 0.002 0.000 0.206 143 K C 1.953 178.611 176.600 0.097 0.000 1.048 143 K CA 1.489 57.805 56.287 0.049 0.000 0.933 143 K CB -0.967 31.559 32.500 0.042 0.000 0.721 143 K HN 0.187 nan 8.250 nan 0.000 0.447 144 L N 0.808 122.074 121.223 0.071 0.000 2.275 144 L HA 0.038 4.379 4.340 0.002 0.000 0.215 144 L C 1.705 178.658 176.870 0.138 0.000 1.119 144 L CA 1.880 56.773 54.840 0.088 0.000 0.790 144 L CB -0.133 41.910 42.059 -0.026 0.000 0.919 144 L HN 0.380 nan 8.230 nan 0.000 0.443 145 T N -1.090 113.518 114.554 0.090 0.000 3.163 145 T HA 0.119 4.470 4.350 0.002 0.000 0.252 145 T C 1.083 175.828 174.700 0.076 0.000 1.056 145 T CA 0.257 62.406 62.100 0.080 0.000 0.947 145 T CB 0.020 68.916 68.868 0.046 0.000 1.016 145 T HN 0.444 nan 8.240 nan 0.000 0.554 146 E N 0.384 120.639 120.200 0.092 0.000 2.441 146 E HA 0.308 4.659 4.350 0.002 0.000 0.212 146 E C 1.887 178.509 176.600 0.037 0.000 0.840 146 E CA 0.119 56.551 56.400 0.054 0.000 1.143 146 E CB 0.411 30.135 29.700 0.040 0.000 1.153 146 E HN 0.321 nan 8.360 nan 0.000 0.539 147 A N 0.379 123.252 122.820 0.090 0.000 2.252 147 A HA 0.324 4.645 4.320 0.002 0.000 0.213 147 A C 0.140 177.504 177.584 -0.366 0.000 1.188 147 A CA 0.193 52.178 52.037 -0.087 0.000 0.863 147 A CB 0.282 19.276 19.000 -0.010 0.000 0.893 147 A HN 0.060 nan 8.150 nan 0.000 0.495 148 F N -0.933 119.018 119.950 0.002 0.000 2.613 148 F HA 0.449 4.978 4.527 0.002 0.000 0.314 148 F C -2.326 173.477 175.800 0.004 0.000 1.075 148 F CA -2.572 55.430 58.000 0.003 0.000 0.945 148 F CB 1.524 40.526 39.000 0.003 0.000 1.310 148 F HN -0.203 nan 8.300 nan 0.000 0.467 149 P HA 0.112 nan 4.420 nan 0.000 0.231 149 P C -0.826 176.536 177.300 0.103 0.000 1.756 149 P CA 0.416 63.579 63.100 0.105 0.000 0.990 149 P CB -0.062 31.683 31.700 0.076 0.000 1.973 150 V N 1.391 121.369 119.914 0.107 0.000 2.495 150 V HA 0.621 4.742 4.120 0.002 0.000 0.298 150 V C 0.342 176.470 176.094 0.056 0.000 1.031 150 V CA -1.042 61.301 62.300 0.072 0.000 0.871 150 V CB 1.993 33.853 31.823 0.061 0.000 0.988 150 V HN 0.338 nan 8.190 nan 0.000 0.432 151 A N 4.650 127.496 122.820 0.043 0.000 2.260 151 A HA 0.725 5.046 4.320 0.002 0.000 0.314 151 A C -0.716 176.888 177.584 0.034 0.000 1.257 151 A CA -0.496 51.566 52.037 0.042 0.000 0.871 151 A CB 0.698 19.724 19.000 0.043 0.000 1.166 151 A HN 0.832 nan 8.150 nan 0.000 0.522 152 L N 4.496 125.739 121.223 0.033 0.000 2.369 152 L HA 0.347 4.688 4.340 0.002 0.000 0.279 152 L C 0.664 177.550 176.870 0.025 0.000 1.108 152 L CA 0.440 55.294 54.840 0.023 0.000 0.852 152 L CB 1.010 43.079 42.059 0.018 0.000 1.169 152 L HN 0.673 nan 8.230 nan 0.000 0.452 153 V N 1.970 121.894 119.914 0.018 0.000 2.993 153 V HA 0.376 4.497 4.120 0.002 0.000 0.377 153 V C 0.493 176.592 176.094 0.009 0.000 1.318 153 V CA -0.524 61.784 62.300 0.014 0.000 1.312 153 V CB -1.304 30.518 31.823 -0.001 0.000 1.342 153 V HN 0.867 nan 8.190 nan 0.000 0.544 154 N N 0.934 119.644 118.700 0.016 0.000 2.285 154 N HA 0.098 4.839 4.740 0.002 0.000 0.262 154 N C 1.570 177.096 175.510 0.027 0.000 1.299 154 N CA 0.365 53.428 53.050 0.022 0.000 0.930 154 N CB -0.022 38.481 38.487 0.027 0.000 1.157 154 N HN 0.301 nan 8.380 nan 0.000 0.532 155 S N -1.426 114.299 115.700 0.040 0.000 2.383 155 S HA -0.197 4.274 4.470 0.002 0.000 0.229 155 S C 1.738 176.364 174.600 0.044 0.000 1.030 155 S CA 1.489 59.719 58.200 0.051 0.000 1.002 155 S CB -1.331 61.910 63.200 0.068 0.000 0.829 155 S HN 0.626 nan 8.310 nan 0.000 0.467 156 V N -0.071 119.865 119.914 0.036 0.000 3.380 156 V HA 0.136 4.257 4.120 0.002 0.000 0.268 156 V C 0.867 176.963 176.094 0.003 0.000 1.168 156 V CA 0.425 62.740 62.300 0.025 0.000 1.156 156 V CB -1.487 30.351 31.823 0.024 0.000 0.785 156 V HN 0.493 nan 8.190 nan 0.000 0.487 157 N N 2.376 121.079 118.700 0.004 0.000 2.417 157 N HA 0.055 4.796 4.740 0.002 0.000 0.272 157 N C -1.420 174.064 175.510 -0.044 0.000 1.304 157 N CA -0.913 52.129 53.050 -0.013 0.000 0.906 157 N CB 1.569 40.069 38.487 0.021 0.000 1.135 157 N HN 0.175 nan 8.380 nan 0.000 0.483 158 P HA -0.174 nan 4.420 nan 0.000 0.216 158 P C 0.889 178.104 177.300 -0.142 0.000 1.154 158 P CA 1.373 64.373 63.100 -0.167 0.000 0.865 158 P CB 0.054 31.590 31.700 -0.273 0.000 0.789 159 H N -1.316 117.750 119.070 -0.006 0.000 2.421 159 H HA -0.021 4.535 4.556 0.002 0.000 0.298 159 H C 2.119 177.430 175.328 -0.029 0.000 1.087 159 H CA 1.068 57.106 56.048 -0.016 0.000 1.330 159 H CB -0.327 29.424 29.762 -0.019 0.000 1.388 159 H HN 0.130 nan 8.280 nan 0.000 0.526 160 R N 0.444 120.990 120.500 0.076 0.000 2.075 160 R HA -0.049 4.292 4.340 0.002 0.000 0.232 160 R C 2.554 178.870 176.300 0.027 0.000 1.126 160 R CA 0.584 56.704 56.100 0.033 0.000 0.963 160 R CB -0.283 30.032 30.300 0.025 0.000 0.858 160 R HN 0.292 nan 8.270 nan 0.000 0.435 161 L N 0.631 121.865 121.223 0.018 0.000 2.056 161 L HA -0.146 4.195 4.340 0.002 0.000 0.207 161 L C 2.411 179.261 176.870 -0.033 0.000 1.078 161 L CA 1.091 55.934 54.840 0.005 0.000 0.749 161 L CB -0.444 41.618 42.059 0.005 0.000 0.901 161 L HN 0.104 nan 8.230 nan 0.000 0.433 162 E N 0.447 120.637 120.200 -0.018 0.000 2.085 162 E HA -0.178 4.173 4.350 0.002 0.000 0.194 162 E C 2.190 178.741 176.600 -0.082 0.000 0.994 162 E CA 1.528 57.910 56.400 -0.029 0.000 0.801 162 E CB -0.381 29.346 29.700 0.044 0.000 0.743 162 E HN 0.533 nan 8.360 nan 0.000 0.453 163 G N 0.914 109.685 108.800 -0.048 0.000 2.421 163 G HA2 -0.249 3.712 3.960 0.002 0.000 0.217 163 G HA3 -0.249 3.712 3.960 0.002 0.000 0.217 163 G C 1.472 176.293 174.900 -0.132 0.000 1.143 163 G CA 0.265 45.319 45.100 -0.076 0.000 0.784 163 G HN 0.243 nan 8.290 nan 0.000 0.541 164 Q N 0.256 119.999 119.800 -0.095 0.000 2.369 164 Q HA -0.020 4.321 4.340 0.002 0.000 0.206 164 Q C 2.288 178.112 176.000 -0.294 0.000 0.963 164 Q CA 1.088 56.836 55.803 -0.091 0.000 0.894 164 Q CB -0.042 28.733 28.738 0.060 0.000 0.965 164 Q HN 0.693 nan 8.270 nan 0.000 0.475 165 K N 0.449 120.612 120.400 -0.394 0.000 2.504 165 K HA -0.036 4.285 4.320 0.002 0.000 0.195 165 K C 1.678 177.586 176.600 -1.154 0.000 1.036 165 K CA 1.461 57.367 56.287 -0.635 0.000 0.984 165 K CB -0.161 32.029 32.500 -0.518 0.000 0.788 165 K HN 0.064 nan 8.250 nan 0.000 0.488 166 T N -0.155 113.783 114.554 -1.027 0.000 2.915 166 T HA -0.123 4.228 4.350 0.002 0.000 0.269 166 T C 1.830 176.051 174.700 -0.798 0.000 1.071 166 T CA 0.751 62.123 62.100 -1.213 0.000 1.132 166 T CB -0.328 68.173 68.868 -0.612 0.000 0.878 166 T HN 0.319 nan 8.240 nan 0.000 0.479 167 L N 0.922 121.795 121.223 -0.585 0.000 2.042 167 L HA -0.042 4.299 4.340 0.002 0.000 0.210 167 L C 2.939 179.536 176.870 -0.456 0.000 1.076 167 L CA 1.718 56.317 54.840 -0.402 0.000 0.749 167 L CB -0.790 41.024 42.059 -0.408 0.000 0.893 167 L HN 0.380 nan 8.230 nan 0.000 0.432 168 A N -0.249 122.134 122.820 -0.728 0.000 1.933 168 A HA -0.215 4.106 4.320 0.002 0.000 0.218 168 A C 2.102 179.282 177.584 -0.674 0.000 1.175 168 A CA 1.679 53.179 52.037 -0.895 0.000 0.628 168 A CB -1.058 17.123 19.000 -1.364 0.000 0.814 168 A HN 0.566 nan 8.150 nan 0.000 0.444 169 F N -0.121 119.263 119.950 -0.944 0.000 2.095 169 F HA -0.221 4.307 4.527 0.002 0.000 0.298 169 F C 2.602 178.072 175.800 -0.550 0.000 1.104 169 F CA 1.321 58.588 58.000 -1.222 0.000 1.232 169 F CB -0.350 37.862 39.000 -1.313 0.000 0.987 169 F HN 0.319 nan 8.300 nan 0.000 0.475 170 E N 0.267 120.419 120.200 -0.079 0.000 2.110 170 E HA -0.171 4.180 4.350 0.002 0.000 0.193 170 E C 2.183 178.800 176.600 0.027 0.000 0.988 170 E CA 1.185 57.634 56.400 0.082 0.000 0.804 170 E CB -0.182 29.572 29.700 0.090 0.000 0.745 170 E HN 0.188 nan 8.360 nan 0.000 0.458 171 V N 0.753 120.643 119.914 -0.039 0.000 2.295 171 V HA -0.241 3.880 4.120 0.002 0.000 0.246 171 V C 2.328 178.434 176.094 0.021 0.000 1.049 171 V CA 1.411 63.712 62.300 0.001 0.000 1.024 171 V CB -0.406 31.452 31.823 0.058 0.000 0.648 171 V HN 0.140 nan 8.190 nan 0.000 0.447 172 V N 0.270 120.202 119.914 0.030 0.000 2.343 172 V HA -0.258 3.863 4.120 0.002 0.000 0.247 172 V C 2.292 178.470 176.094 0.141 0.000 1.051 172 V CA 2.154 64.528 62.300 0.123 0.000 1.036 172 V CB -0.799 31.167 31.823 0.239 0.000 0.654 172 V HN 0.544 nan 8.190 nan 0.000 0.451 173 D N -0.312 120.188 120.400 0.167 0.000 2.149 173 D HA -0.196 4.445 4.640 0.002 0.000 0.198 173 D C 2.167 178.521 176.300 0.089 0.000 0.990 173 D CA 1.634 55.733 54.000 0.166 0.000 0.839 173 D CB -0.047 40.872 40.800 0.199 0.000 0.948 173 D HN 0.564 nan 8.370 nan 0.000 0.460 174 E N 0.244 120.479 120.200 0.059 0.000 2.033 174 E HA 0.003 4.354 4.350 0.002 0.000 0.189 174 E C 2.173 178.765 176.600 -0.013 0.000 0.979 174 E CA 0.549 56.964 56.400 0.025 0.000 0.802 174 E CB -0.174 29.535 29.700 0.016 0.000 0.763 174 E HN 0.184 nan 8.360 nan 0.000 0.449 175 L N -1.277 119.914 121.223 -0.053 0.000 2.240 175 L HA 0.179 4.520 4.340 0.002 0.000 0.211 175 L C 1.746 178.596 176.870 -0.034 0.000 1.106 175 L CA 0.761 55.541 54.840 -0.101 0.000 0.793 175 L CB -0.201 41.749 42.059 -0.182 0.000 0.927 175 L HN 0.531 nan 8.230 nan 0.000 0.446 176 G N -0.436 108.369 108.800 0.009 0.000 2.194 176 G HA2 -0.235 3.726 3.960 0.002 0.000 0.236 176 G HA3 -0.235 3.726 3.960 0.002 0.000 0.236 176 G C -0.158 174.761 174.900 0.032 0.000 0.987 176 G CA 0.219 45.333 45.100 0.024 0.000 0.635 176 G HN 0.401 nan 8.290 nan 0.000 0.520 177 D N -1.054 119.367 120.400 0.035 0.000 2.755 177 D HA 0.632 5.273 4.640 0.002 0.000 0.277 177 D C 0.066 176.404 176.300 0.063 0.000 1.261 177 D CA 0.608 54.638 54.000 0.050 0.000 0.759 177 D CB 0.573 41.374 40.800 0.002 0.000 1.279 177 D HN 0.974 nan 8.370 nan 0.000 0.420 178 A N 1.592 124.478 122.820 0.109 0.000 2.407 178 A HA 0.585 4.906 4.320 0.002 0.000 0.248 178 A C -2.174 175.366 177.584 -0.074 0.000 1.082 178 A CA -0.636 51.484 52.037 0.137 0.000 0.785 178 A CB -0.065 19.037 19.000 0.170 0.000 1.020 178 A HN 0.409 nan 8.150 nan 0.000 0.489 179 P HA 0.109 nan 4.420 nan 0.000 0.274 179 P C 0.173 177.333 177.300 -0.233 0.000 1.256 179 P CA -0.099 62.898 63.100 -0.171 0.000 0.795 179 P CB 0.493 32.154 31.700 -0.065 0.000 1.038 180 H N -0.476 118.569 119.070 -0.043 0.000 2.363 180 H HA -0.007 4.550 4.556 0.002 0.000 0.301 180 H C 0.223 175.297 175.328 -0.423 0.000 1.074 180 H CA 1.610 57.516 56.048 -0.237 0.000 1.354 180 H CB -0.159 29.472 29.762 -0.218 0.000 1.397 180 H HN 0.444 nan 8.280 nan 0.000 0.516 181 Y N -1.217 119.153 120.300 0.117 0.000 2.545 181 Y HA 0.409 4.960 4.550 0.002 0.000 0.348 181 Y C -0.346 175.615 175.900 0.103 0.000 1.002 181 Y CA -0.978 57.173 58.100 0.085 0.000 1.039 181 Y CB 1.924 40.441 38.460 0.095 0.000 1.271 181 Y HN 0.026 nan 8.280 nan 0.000 0.467 182 H N 0.768 119.940 119.070 0.170 0.000 3.172 182 H HA 0.749 5.306 4.556 0.002 0.000 0.322 182 H C -1.427 173.979 175.328 0.131 0.000 1.003 182 H CA -0.689 55.444 56.048 0.141 0.000 1.466 182 H CB 0.729 30.560 29.762 0.115 0.000 1.673 182 H HN 0.924 nan 8.280 nan 0.000 0.512 183 A N 5.423 128.500 122.820 0.428 0.000 2.306 183 A HA 0.711 5.032 4.320 0.002 0.000 0.314 183 A C -0.819 176.925 177.584 0.267 0.000 1.164 183 A CA -0.540 51.702 52.037 0.341 0.000 0.822 183 A CB 0.452 19.644 19.000 0.319 0.000 1.130 183 A HN 0.695 nan 8.150 nan 0.000 0.496 184 L N -0.774 120.538 121.223 0.147 0.000 2.710 184 L HA 0.726 5.067 4.340 0.002 0.000 0.260 184 L C -3.264 173.622 176.870 0.027 0.000 0.993 184 L CA -2.233 52.611 54.840 0.006 0.000 0.877 184 L CB 1.791 43.672 42.059 -0.297 0.000 1.461 184 L HN 0.327 nan 8.230 nan 0.000 0.413 185 P HA 0.337 nan 4.420 nan 0.000 0.272 185 P C -1.171 176.112 177.300 -0.029 0.000 1.230 185 P CA -0.300 62.825 63.100 0.041 0.000 0.788 185 P CB 1.227 32.966 31.700 0.064 0.000 0.949 186 V N 1.543 121.444 119.914 -0.022 0.000 2.447 186 V HA 0.490 4.611 4.120 0.002 0.000 0.292 186 V C 0.792 176.861 176.094 -0.043 0.000 1.021 186 V CA 0.009 62.269 62.300 -0.066 0.000 0.850 186 V CB 1.065 32.811 31.823 -0.129 0.000 1.005 186 V HN 0.806 nan 8.190 nan 0.000 0.426 187 G N 2.546 111.339 108.800 -0.012 0.000 2.598 187 G HA2 0.045 4.006 3.960 0.002 0.000 0.225 187 G HA3 0.045 4.006 3.960 0.002 0.000 0.225 187 G C 0.765 175.659 174.900 -0.010 0.000 1.631 187 G CA 0.164 45.264 45.100 0.000 0.000 0.821 187 G HN 0.517 nan 8.290 nan 0.000 0.610 188 N N 0.804 119.520 118.700 0.026 0.000 2.336 188 N HA 0.193 4.934 4.740 0.002 0.000 0.189 188 N C 1.422 176.942 175.510 0.017 0.000 1.113 188 N CA 0.880 53.952 53.050 0.037 0.000 0.858 188 N CB 0.865 39.395 38.487 0.072 0.000 0.970 188 N HN 0.537 nan 8.380 nan 0.000 0.471 189 A N -0.654 122.158 122.820 -0.013 0.000 3.201 189 A HA -0.181 4.140 4.320 0.002 0.000 0.260 189 A C 1.701 179.284 177.584 -0.002 0.000 1.222 189 A CA 1.347 53.358 52.037 -0.043 0.000 1.124 189 A CB -2.247 16.704 19.000 -0.081 0.000 1.155 189 A HN 0.397 nan 8.150 nan 0.000 0.924 190 G N -0.232 108.595 108.800 0.044 0.000 2.403 190 G HA2 -0.144 3.817 3.960 0.002 0.000 0.216 190 G HA3 -0.144 3.817 3.960 0.002 0.000 0.216 190 G C 1.200 176.138 174.900 0.063 0.000 1.154 190 G CA 1.483 46.623 45.100 0.068 0.000 0.784 190 G HN 0.677 nan 8.290 nan 0.000 0.538 191 N N 0.589 119.313 118.700 0.040 0.000 2.142 191 N HA -0.012 4.729 4.740 0.002 0.000 0.186 191 N C 2.091 177.545 175.510 -0.094 0.000 1.023 191 N CA 0.805 53.810 53.050 -0.075 0.000 0.852 191 N CB -0.251 37.994 38.487 -0.405 0.000 0.998 191 N HN 0.366 nan 8.380 nan 0.000 0.424 192 I N -0.032 120.435 120.570 -0.172 0.000 2.394 192 I HA -0.213 3.958 4.170 0.002 0.000 0.251 192 I C 1.301 177.419 176.117 0.002 0.000 1.136 192 I CA 1.112 62.299 61.300 -0.189 0.000 1.425 192 I CB -0.254 37.623 38.000 -0.204 0.000 1.079 192 I HN 0.098 nan 8.210 nan 0.000 0.425 193 T N 1.092 115.663 114.554 0.029 0.000 2.777 193 T HA -0.078 4.273 4.350 0.002 0.000 0.266 193 T C 1.952 176.731 174.700 0.132 0.000 1.040 193 T CA 1.332 63.490 62.100 0.097 0.000 1.141 193 T CB -0.341 68.569 68.868 0.070 0.000 0.868 193 T HN 0.538 nan 8.240 nan 0.000 0.444 194 A N 1.120 123.993 122.820 0.088 0.000 1.902 194 A HA -0.144 4.177 4.320 0.002 0.000 0.217 194 A C 1.980 179.577 177.584 0.022 0.000 1.181 194 A CA 1.743 53.799 52.037 0.032 0.000 0.623 194 A CB -0.899 18.101 19.000 -0.000 0.000 0.818 194 A HN 0.506 nan 8.150 nan 0.000 0.443 195 H N -1.894 117.136 119.070 -0.067 0.000 2.289 195 H HA -0.196 4.361 4.556 0.002 0.000 0.296 195 H C 1.825 177.276 175.328 0.205 0.000 1.091 195 H CA 2.021 58.048 56.048 -0.034 0.000 1.274 195 H CB -0.349 29.366 29.762 -0.080 0.000 1.364 195 H HN 0.742 nan 8.280 nan 0.000 0.490 196 W N 0.713 122.105 121.300 0.152 0.000 2.358 196 W HA -0.243 4.418 4.660 0.001 0.000 0.303 196 W C 1.843 178.430 176.519 0.112 0.000 1.208 196 W CA 1.128 58.561 57.345 0.147 0.000 1.274 196 W CB -0.124 29.374 29.460 0.062 0.000 1.138 196 W HN 0.235 nan 8.180 nan 0.000 0.515 197 M N 0.445 120.086 119.600 0.068 0.000 2.108 197 M HA -0.160 4.321 4.480 0.002 0.000 0.261 197 M C 2.362 178.610 176.300 -0.087 0.000 1.066 197 M CA 2.079 57.336 55.300 -0.071 0.000 1.107 197 M CB -1.197 31.389 32.600 -0.023 0.000 1.356 197 M HN 0.046 nan 8.290 nan 0.000 0.406 198 G N -0.715 108.006 108.800 -0.131 0.000 2.433 198 G HA2 -0.221 3.740 3.960 0.002 0.000 0.216 198 G HA3 -0.221 3.740 3.960 0.002 0.000 0.216 198 G C 1.190 176.073 174.900 -0.029 0.000 1.186 198 G CA 0.741 45.727 45.100 -0.191 0.000 0.779 198 G HN 0.397 nan 8.290 nan 0.000 0.543 199 Y N 1.045 121.332 120.300 -0.021 0.000 2.224 199 Y HA -0.055 4.496 4.550 0.002 0.000 0.289 199 Y C 2.963 178.789 175.900 -0.122 0.000 1.146 199 Y CA 1.559 59.650 58.100 -0.015 0.000 1.182 199 Y CB 0.050 38.526 38.460 0.027 0.000 0.983 199 Y HN 0.108 nan 8.280 nan 0.000 0.524 200 K N -0.298 119.954 120.400 -0.247 0.000 2.097 200 K HA -0.122 4.199 4.320 0.002 0.000 0.205 200 K C 2.355 178.923 176.600 -0.053 0.000 1.050 200 K CA 0.959 57.055 56.287 -0.319 0.000 0.938 200 K CB -0.289 31.864 32.500 -0.579 0.000 0.718 200 K HN 0.276 nan 8.250 nan 0.000 0.442 201 A N 0.550 123.385 122.820 0.025 0.000 1.898 201 A HA -0.164 4.157 4.320 0.002 0.000 0.216 201 A C 1.859 179.505 177.584 0.103 0.000 1.181 201 A CA 1.166 53.259 52.037 0.094 0.000 0.620 201 A CB -0.595 18.535 19.000 0.218 0.000 0.819 201 A HN 0.247 nan 8.150 nan 0.000 0.442 202 Y N -0.685 119.572 120.300 -0.073 0.000 2.373 202 Y HA -0.129 4.422 4.550 0.002 0.000 0.293 202 Y C 2.409 178.272 175.900 -0.062 0.000 1.129 202 Y CA 1.255 59.261 58.100 -0.156 0.000 1.226 202 Y CB -0.390 37.991 38.460 -0.131 0.000 1.000 202 Y HN 0.598 nan 8.280 nan 0.000 0.549 203 H N -0.840 118.259 119.070 0.049 0.000 2.363 203 H HA -0.019 4.538 4.556 0.002 0.000 0.301 203 H C 2.062 177.359 175.328 -0.052 0.000 1.074 203 H CA 1.237 57.282 56.048 -0.005 0.000 1.354 203 H CB 0.044 29.800 29.762 -0.010 0.000 1.397 203 H HN 0.279 nan 8.280 nan 0.000 0.516 204 A N 0.933 123.797 122.820 0.073 0.000 2.067 204 A HA -0.018 4.303 4.320 0.002 0.000 0.219 204 A C 2.576 180.109 177.584 -0.084 0.000 1.158 204 A CA 0.645 52.689 52.037 0.012 0.000 0.661 204 A CB -0.538 18.474 19.000 0.020 0.000 0.801 204 A HN 0.423 nan 8.150 nan 0.000 0.452 205 L N -1.771 119.366 121.223 -0.143 0.000 2.446 205 L HA 0.168 4.509 4.340 0.002 0.000 0.219 205 L C 1.709 178.437 176.870 -0.236 0.000 1.116 205 L CA 0.652 55.367 54.840 -0.208 0.000 0.844 205 L CB -0.115 41.748 42.059 -0.325 0.000 0.970 205 L HN 0.567 nan 8.230 nan 0.000 0.457 206 G N 0.403 109.048 108.800 -0.258 0.000 2.132 206 G HA2 -0.275 3.686 3.960 0.002 0.000 0.234 206 G HA3 -0.275 3.686 3.960 0.002 0.000 0.234 206 G C 0.753 175.498 174.900 -0.258 0.000 0.989 206 G CA 0.249 45.195 45.100 -0.258 0.000 0.676 206 G HN 0.374 nan 8.290 nan 0.000 0.522 207 K N -0.224 119.980 120.400 -0.328 0.000 2.374 207 K HA 0.566 4.887 4.320 0.002 0.000 0.196 207 K C 0.825 177.346 176.600 -0.131 0.000 1.023 207 K CA 0.757 56.841 56.287 -0.338 0.000 1.103 207 K CB 0.904 32.931 32.500 -0.789 0.000 0.848 207 K HN 0.703 nan 8.250 nan 0.000 0.528 208 A N 0.988 123.761 122.820 -0.077 0.000 2.381 208 A HA 0.324 4.645 4.320 0.002 0.000 0.299 208 A C 0.052 177.641 177.584 0.008 0.000 1.049 208 A CA -0.737 51.341 52.037 0.067 0.000 0.715 208 A CB 1.269 20.419 19.000 0.250 0.000 1.222 208 A HN 0.004 nan 8.150 nan 0.000 0.428 209 K N 0.796 121.221 120.400 0.043 0.000 2.067 209 K HA -0.007 4.314 4.320 0.002 0.000 0.203 209 K C 0.992 177.707 176.600 0.191 0.000 1.048 209 K CA 1.171 57.489 56.287 0.051 0.000 0.954 209 K CB 0.055 32.572 32.500 0.029 0.000 0.737 209 K HN 0.828 nan 8.250 nan 0.000 0.444 210 R N 0.452 121.045 120.500 0.154 0.000 2.782 210 R HA 0.508 4.849 4.340 0.002 0.000 0.258 210 R C -0.828 175.550 176.300 0.129 0.000 1.055 210 R CA -0.729 55.447 56.100 0.126 0.000 1.065 210 R CB 0.776 31.094 30.300 0.030 0.000 1.172 210 R HN -0.120 nan 8.270 nan 0.000 0.510 211 L N 1.934 123.196 121.223 0.065 0.000 2.349 211 L HA 0.511 4.852 4.340 0.002 0.000 0.278 211 L C -2.097 174.804 176.870 0.052 0.000 0.996 211 L CA -2.369 52.523 54.840 0.087 0.000 0.825 211 L CB 2.176 44.307 42.059 0.120 0.000 1.243 211 L HN 0.626 nan 8.230 nan 0.000 0.412 212 P HA 0.174 nan 4.420 nan 0.000 0.274 212 P C -0.988 176.254 177.300 -0.097 0.000 1.237 212 P CA -0.551 62.459 63.100 -0.150 0.000 0.793 212 P CB 0.825 32.331 31.700 -0.324 0.000 0.977 213 R N 1.919 122.327 120.500 -0.153 0.000 2.216 213 R HA 0.320 4.661 4.340 0.002 0.000 0.332 213 R C 0.301 176.544 176.300 -0.094 0.000 1.056 213 R CA -0.601 55.407 56.100 -0.155 0.000 0.901 213 R CB 0.263 30.495 30.300 -0.113 0.000 1.039 213 R HN 0.427 nan 8.270 nan 0.000 0.456 214 M N 4.804 124.270 119.600 -0.223 0.000 2.227 214 M HA 0.117 4.598 4.480 0.002 0.000 0.349 214 M C -0.243 175.955 176.300 -0.170 0.000 1.443 214 M CA 0.184 55.376 55.300 -0.180 0.000 1.110 214 M CB 0.105 32.527 32.600 -0.297 0.000 1.773 214 M HN 0.452 nan 8.290 nan 0.000 0.463 215 L N 3.680 124.852 121.223 -0.085 0.000 2.321 215 L HA 0.487 4.828 4.340 0.002 0.000 0.272 215 L C 0.806 177.443 176.870 -0.388 0.000 1.050 215 L CA -0.644 54.075 54.840 -0.201 0.000 0.893 215 L CB 0.691 42.827 42.059 0.128 0.000 1.272 215 L HN 0.778 nan 8.230 nan 0.000 0.435 216 G N 1.979 110.432 108.800 -0.577 0.000 2.356 216 G HA2 0.654 4.615 3.960 0.002 0.000 0.298 216 G HA3 0.654 4.615 3.960 0.002 0.000 0.298 216 G C -1.079 173.369 174.900 -0.753 0.000 1.145 216 G CA -0.180 44.638 45.100 -0.471 0.000 0.850 216 G HN 0.251 nan 8.290 nan 0.000 0.487 217 F N -0.141 119.760 119.950 -0.082 0.000 2.556 217 F HA 0.481 5.009 4.527 0.002 0.000 0.314 217 F C 0.391 176.155 175.800 -0.060 0.000 1.106 217 F CA -0.755 57.208 58.000 -0.062 0.000 0.911 217 F CB 2.402 41.381 39.000 -0.036 0.000 1.190 217 F HN 0.317 nan 8.300 nan 0.000 0.448 218 Q N 1.145 121.007 119.800 0.103 0.000 2.416 218 Q HA 0.805 5.146 4.340 0.002 0.000 0.279 218 Q C -0.819 175.212 176.000 0.053 0.000 1.101 218 Q CA -1.515 54.310 55.803 0.038 0.000 0.830 218 Q CB 2.588 31.305 28.738 -0.036 0.000 1.402 218 Q HN 0.767 nan 8.270 nan 0.000 0.445 219 A N 0.517 123.353 122.820 0.028 0.000 2.401 219 A HA 0.456 4.777 4.320 0.002 0.000 0.259 219 A C 0.998 178.591 177.584 0.014 0.000 1.103 219 A CA 0.480 52.531 52.037 0.023 0.000 0.789 219 A CB 0.341 19.348 19.000 0.012 0.000 1.035 219 A HN 0.912 nan 8.150 nan 0.000 0.491 220 A N 2.750 125.580 122.820 0.017 0.000 1.903 220 A HA -0.071 4.250 4.320 0.002 0.000 0.219 220 A C 2.076 179.662 177.584 0.004 0.000 1.191 220 A CA 2.386 54.429 52.037 0.010 0.000 0.638 220 A CB -1.149 17.857 19.000 0.009 0.000 0.823 220 A HN 1.550 nan 8.150 nan 0.000 0.451 221 G N -2.060 106.742 108.800 0.003 0.000 2.848 221 G HA2 0.359 4.320 3.960 0.002 0.000 0.208 221 G HA3 0.359 4.320 3.960 0.002 0.000 0.208 221 G C 0.473 175.373 174.900 -0.001 0.000 1.152 221 G CA 0.914 46.015 45.100 0.001 0.000 0.789 221 G HN 1.268 nan 8.290 nan 0.000 0.531 222 A N -0.261 122.556 122.820 -0.005 0.000 3.415 222 A HA 0.710 5.031 4.320 0.002 0.000 0.244 222 A C 0.277 177.845 177.584 -0.027 0.000 0.988 222 A CA 0.303 52.333 52.037 -0.012 0.000 0.991 222 A CB 0.276 19.269 19.000 -0.013 0.000 1.240 222 A HN 0.744 nan 8.150 nan 0.000 0.541 223 A N 1.695 124.497 122.820 -0.030 0.000 3.218 223 A HA 0.641 4.962 4.320 0.002 0.000 0.321 223 A C -1.268 176.269 177.584 -0.078 0.000 1.012 223 A CA -1.052 50.950 52.037 -0.059 0.000 0.948 223 A CB 0.198 19.174 19.000 -0.038 0.000 1.050 223 A HN 0.312 nan 8.150 nan 0.000 0.492 224 P HA -0.192 nan 4.420 nan 0.000 0.218 224 P C 1.381 178.551 177.300 -0.216 0.000 1.148 224 P CA 0.956 64.010 63.100 -0.076 0.000 0.822 224 P CB 0.182 31.855 31.700 -0.044 0.000 0.784 225 L N -1.036 119.938 121.223 -0.416 0.000 2.291 225 L HA -0.066 4.275 4.340 0.002 0.000 0.214 225 L C 2.589 179.332 176.870 -0.212 0.000 1.120 225 L CA 0.777 55.329 54.840 -0.479 0.000 0.799 225 L CB -0.508 41.229 42.059 -0.537 0.000 0.925 225 L HN -0.151 nan 8.230 nan 0.000 0.446 226 V N -0.759 119.070 119.914 -0.142 0.000 2.535 226 V HA -0.157 3.964 4.120 0.002 0.000 0.246 226 V C 2.002 178.078 176.094 -0.030 0.000 1.045 226 V CA 0.926 63.177 62.300 -0.081 0.000 1.058 226 V CB -0.044 31.742 31.823 -0.062 0.000 0.689 226 V HN 0.253 nan 8.190 nan 0.000 0.461 227 L N 0.731 121.950 121.223 -0.008 0.000 2.492 227 L HA 0.341 4.682 4.340 0.002 0.000 0.223 227 L C 1.882 178.799 176.870 0.079 0.000 1.132 227 L CA 1.410 56.270 54.840 0.033 0.000 0.850 227 L CB -1.014 41.071 42.059 0.042 0.000 0.966 227 L HN 0.467 nan 8.230 nan 0.000 0.454 228 G N 0.575 109.446 108.800 0.118 0.000 2.160 228 G HA2 -0.307 3.654 3.960 0.002 0.000 0.251 228 G HA3 -0.307 3.654 3.960 0.002 0.000 0.251 228 G C 0.374 175.472 174.900 0.330 0.000 1.008 228 G CA 0.568 45.810 45.100 0.236 0.000 0.724 228 G HN 0.542 nan 8.290 nan 0.000 0.514 229 R N -1.822 118.894 120.500 0.359 0.000 2.663 229 R HA 0.622 4.963 4.340 0.002 0.000 0.267 229 R C -3.481 173.057 176.300 0.397 0.000 1.038 229 R CA -2.075 54.210 56.100 0.307 0.000 0.886 229 R CB 0.886 31.269 30.300 0.138 0.000 1.249 229 R HN 0.014 nan 8.270 nan 0.000 0.463 230 P HA 0.039 nan 4.420 nan 0.000 0.269 230 P C -0.767 176.632 177.300 0.165 0.000 1.209 230 P CA -0.412 62.868 63.100 0.300 0.000 0.776 230 P CB 0.717 32.525 31.700 0.180 0.000 0.876 231 V N 3.587 123.579 119.914 0.130 0.000 2.293 231 V HA 0.073 4.194 4.120 0.002 0.000 0.275 231 V C 1.431 177.559 176.094 0.058 0.000 1.021 231 V CA -0.168 62.176 62.300 0.073 0.000 0.815 231 V CB 0.459 32.309 31.823 0.046 0.000 1.025 231 V HN 0.661 nan 8.190 nan 0.000 0.448 232 E N 4.681 124.911 120.200 0.051 0.000 2.472 232 E HA -0.124 4.227 4.350 0.002 0.000 0.200 232 E C 0.884 177.497 176.600 0.022 0.000 1.046 232 E CA 0.296 56.720 56.400 0.040 0.000 0.871 232 E CB 0.196 29.919 29.700 0.039 0.000 0.806 232 E HN 0.610 nan 8.360 nan 0.000 0.533 233 R N 0.242 120.753 120.500 0.017 0.000 2.795 233 R HA 0.371 4.712 4.340 0.002 0.000 0.320 233 R C -2.890 173.411 176.300 0.001 0.000 1.223 233 R CA -2.234 53.870 56.100 0.006 0.000 1.305 233 R CB -0.978 29.327 30.300 0.009 0.000 1.318 233 R HN -0.085 nan 8.270 nan 0.000 0.636 234 P HA -0.037 nan 4.420 nan 0.000 0.260 234 P C -0.727 176.566 177.300 -0.012 0.000 1.172 234 P CA 0.706 63.800 63.100 -0.009 0.000 0.760 234 P CB 0.455 32.142 31.700 -0.021 0.000 0.773 235 E N 2.020 122.216 120.200 -0.007 0.000 2.260 235 E HA 0.560 4.911 4.350 0.002 0.000 0.266 235 E C -1.361 175.235 176.600 -0.006 0.000 0.887 235 E CA -0.565 55.831 56.400 -0.007 0.000 0.777 235 E CB 1.300 30.998 29.700 -0.003 0.000 1.205 235 E HN 0.369 nan 8.360 nan 0.000 0.414 236 T N 2.604 117.152 114.554 -0.009 0.000 2.983 236 T HA 0.126 4.477 4.350 0.002 0.000 0.357 236 T C -0.065 174.626 174.700 -0.015 0.000 1.830 236 T CA -0.449 61.646 62.100 -0.009 0.000 1.080 236 T CB 0.476 69.340 68.868 -0.007 0.000 1.675 236 T HN 0.436 nan 8.240 nan 0.000 0.497 237 L N 1.865 123.075 121.223 -0.021 0.000 2.492 237 L HA 0.692 5.033 4.340 0.002 0.000 0.223 237 L C 1.516 178.361 176.870 -0.042 0.000 1.132 237 L CA 1.230 56.050 54.840 -0.033 0.000 0.850 237 L CB -0.691 41.340 42.059 -0.046 0.000 0.966 237 L HN 0.631 nan 8.230 nan 0.000 0.454 238 A N 0.055 122.855 122.820 -0.032 0.000 3.037 238 A HA 0.349 4.670 4.320 0.002 0.000 0.272 238 A C 1.459 179.034 177.584 -0.015 0.000 1.723 238 A CA 0.157 52.178 52.037 -0.026 0.000 1.413 238 A CB -1.121 17.874 19.000 -0.008 0.000 1.112 238 A HN 0.406 nan 8.150 nan 0.000 0.606 239 T N 1.512 116.054 114.554 -0.020 0.000 2.649 239 T HA -0.323 4.028 4.350 0.002 0.000 0.268 239 T C 2.252 176.947 174.700 -0.008 0.000 1.036 239 T CA 2.305 64.395 62.100 -0.016 0.000 1.157 239 T CB -0.273 68.584 68.868 -0.018 0.000 0.861 239 T HN 0.867 nan 8.240 nan 0.000 0.445 240 A N 1.399 124.221 122.820 0.003 0.000 2.032 240 A HA -0.033 4.288 4.320 0.002 0.000 0.221 240 A C 2.019 179.620 177.584 0.028 0.000 1.165 240 A CA 1.540 53.588 52.037 0.020 0.000 0.645 240 A CB -0.826 18.199 19.000 0.042 0.000 0.807 240 A HN 0.804 nan 8.150 nan 0.000 0.453 241 I N -4.488 116.094 120.570 0.020 0.000 3.816 241 I HA 0.356 4.527 4.170 0.002 0.000 0.334 241 I C 0.742 176.858 176.117 -0.002 0.000 1.551 241 I CA -0.383 60.927 61.300 0.016 0.000 1.153 241 I CB 0.183 38.196 38.000 0.022 0.000 1.197 241 I HN 0.070 nan 8.210 nan 0.000 0.439 242 R N 2.775 123.269 120.500 -0.010 0.000 4.138 242 R HA 0.346 4.687 4.340 0.002 0.000 0.206 242 R C -0.814 175.468 176.300 -0.029 0.000 1.667 242 R CA -0.227 55.861 56.100 -0.021 0.000 1.481 242 R CB 0.086 30.369 30.300 -0.028 0.000 1.388 242 R HN 0.298 nan 8.270 nan 0.000 0.776 243 I N 1.308 121.866 120.570 -0.020 0.000 2.406 243 I HA 0.237 4.408 4.170 0.002 0.000 0.290 243 I C 1.194 177.310 176.117 -0.001 0.000 0.999 243 I CA -0.557 60.736 61.300 -0.011 0.000 1.124 243 I CB 1.490 39.492 38.000 0.003 0.000 1.289 243 I HN 0.449 nan 8.210 nan 0.000 0.441 244 G N 4.593 113.404 108.800 0.019 0.000 2.744 244 G HA2 -0.063 3.898 3.960 0.002 0.000 0.211 244 G HA3 -0.063 3.898 3.960 0.002 0.000 0.211 244 G C 0.589 175.568 174.900 0.131 0.000 1.146 244 G CA 0.203 45.335 45.100 0.052 0.000 0.787 244 G HN 0.529 nan 8.290 nan 0.000 0.534 245 N N 0.591 119.388 118.700 0.162 0.000 2.710 245 N HA 0.243 4.984 4.740 0.002 0.000 0.244 245 N C -3.005 172.668 175.510 0.270 0.000 1.321 245 N CA -1.199 52.033 53.050 0.302 0.000 0.758 245 N CB 1.898 40.537 38.487 0.254 0.000 1.284 245 N HN -0.053 nan 8.380 nan 0.000 0.530 246 P HA 0.029 nan 4.420 nan 0.000 0.261 246 P C 0.663 178.099 177.300 0.227 0.000 1.183 246 P CA -0.000 63.180 63.100 0.134 0.000 0.761 246 P CB 0.988 32.657 31.700 -0.051 0.000 0.785 247 A N 3.869 126.785 122.820 0.160 0.000 1.933 247 A HA -0.094 4.227 4.320 0.002 0.000 0.218 247 A C 1.695 179.368 177.584 0.148 0.000 1.175 247 A CA 1.331 53.457 52.037 0.148 0.000 0.628 247 A CB -0.747 18.319 19.000 0.110 0.000 0.814 247 A HN 0.559 nan 8.150 nan 0.000 0.444 248 S N -0.579 115.197 115.700 0.127 0.000 2.577 248 S HA 0.069 4.540 4.470 0.002 0.000 0.239 248 S C 0.653 175.340 174.600 0.146 0.000 1.236 248 S CA -0.757 57.512 58.200 0.115 0.000 1.233 248 S CB -0.369 62.873 63.200 0.070 0.000 0.908 248 S HN 0.626 nan 8.310 nan 0.000 0.493 249 W N 2.773 124.079 121.300 0.009 0.000 2.315 249 W HA -0.196 4.465 4.660 0.001 0.000 0.323 249 W C 1.513 178.029 176.519 -0.005 0.000 1.233 249 W CA 1.655 59.000 57.345 0.000 0.000 1.267 249 W CB -0.498 28.964 29.460 0.003 0.000 1.160 249 W HN 0.416 nan 8.180 nan 0.000 0.474 250 Q N -0.416 119.603 119.800 0.365 0.000 2.112 250 Q HA -0.153 4.188 4.340 0.002 0.000 0.206 250 Q C 2.372 178.456 176.000 0.140 0.000 0.987 250 Q CA 2.071 58.007 55.803 0.222 0.000 0.858 250 Q CB -1.529 27.287 28.738 0.130 0.000 0.905 250 Q HN 0.448 nan 8.270 nan 0.000 0.420 251 G N 0.662 109.529 108.800 0.113 0.000 2.422 251 G HA2 -0.137 3.824 3.960 0.002 0.000 0.218 251 G HA3 -0.137 3.824 3.960 0.002 0.000 0.218 251 G C 1.583 176.505 174.900 0.038 0.000 1.146 251 G CA 1.193 46.342 45.100 0.081 0.000 0.769 251 G HN 0.466 nan 8.290 nan 0.000 0.547 252 A N 0.273 123.090 122.820 -0.005 0.000 1.855 252 A HA 0.072 4.393 4.320 0.002 0.000 0.215 252 A C 2.609 180.128 177.584 -0.108 0.000 1.191 252 A CA 1.857 53.838 52.037 -0.094 0.000 0.613 252 A CB -0.736 18.156 19.000 -0.180 0.000 0.829 252 A HN 0.257 nan 8.150 nan 0.000 0.442 253 V N 0.289 120.173 119.914 -0.050 0.000 2.332 253 V HA -0.290 3.831 4.120 0.002 0.000 0.248 253 V C 2.663 178.729 176.094 -0.046 0.000 1.055 253 V CA 2.410 64.691 62.300 -0.031 0.000 1.038 253 V CB -0.905 30.968 31.823 0.083 0.000 0.651 253 V HN 0.684 nan 8.190 nan 0.000 0.450 254 R N 0.405 120.902 120.500 -0.005 0.000 2.073 254 R HA -0.169 4.172 4.340 0.002 0.000 0.234 254 R C 2.326 178.567 176.300 -0.098 0.000 1.134 254 R CA 1.786 57.890 56.100 0.006 0.000 0.952 254 R CB -0.528 29.822 30.300 0.083 0.000 0.850 254 R HN 0.462 nan 8.270 nan 0.000 0.433 255 A N 1.268 123.992 122.820 -0.160 0.000 1.940 255 A HA -0.219 4.102 4.320 0.002 0.000 0.219 255 A C 2.107 179.293 177.584 -0.664 0.000 1.176 255 A CA 1.751 53.461 52.037 -0.545 0.000 0.631 255 A CB -0.515 18.319 19.000 -0.277 0.000 0.814 255 A HN 0.459 nan 8.150 nan 0.000 0.446 256 K N -0.195 119.980 120.400 -0.377 0.000 2.025 256 K HA -0.175 4.146 4.320 0.002 0.000 0.207 256 K C 1.930 178.353 176.600 -0.295 0.000 1.049 256 K CA 1.652 57.740 56.287 -0.331 0.000 0.933 256 K CB -0.208 32.152 32.500 -0.234 0.000 0.714 256 K HN 0.615 nan 8.250 nan 0.000 0.438 257 E N 0.458 120.532 120.200 -0.210 0.000 2.028 257 E HA -0.187 4.164 4.350 0.002 0.000 0.191 257 E C 2.072 178.582 176.600 -0.150 0.000 0.988 257 E CA 1.473 57.789 56.400 -0.140 0.000 0.799 257 E CB 0.007 29.665 29.700 -0.069 0.000 0.755 257 E HN 0.397 nan 8.360 nan 0.000 0.447 258 E N 0.543 120.645 120.200 -0.163 0.000 2.077 258 E HA -0.154 4.197 4.350 0.002 0.000 0.193 258 E C 2.210 178.708 176.600 -0.171 0.000 0.989 258 E CA 1.451 57.825 56.400 -0.043 0.000 0.800 258 E CB -0.053 29.801 29.700 0.257 0.000 0.746 258 E HN 0.183 nan 8.360 nan 0.000 0.452 259 S N -0.549 114.726 115.700 -0.708 0.000 2.522 259 S HA 0.070 4.541 4.470 0.002 0.000 0.227 259 S C 1.612 176.014 174.600 -0.329 0.000 0.986 259 S CA 0.462 58.200 58.200 -0.770 0.000 0.929 259 S CB 0.227 62.654 63.200 -1.289 0.000 0.769 259 S HN 0.371 nan 8.310 nan 0.000 0.529 260 G N 0.524 109.171 108.800 -0.255 0.000 2.198 260 G HA2 -0.057 3.904 3.960 0.002 0.000 0.257 260 G HA3 -0.057 3.904 3.960 0.002 0.000 0.257 260 G C 0.395 175.208 174.900 -0.146 0.000 1.042 260 G CA 0.122 45.132 45.100 -0.150 0.000 0.791 260 G HN 1.034 nan 8.290 nan 0.000 0.502 261 G N -1.679 106.996 108.800 -0.209 0.000 2.782 261 G HA2 0.970 4.931 3.960 0.002 0.000 0.201 261 G HA3 0.970 4.931 3.960 0.002 0.000 0.201 261 G C 0.056 174.853 174.900 -0.170 0.000 1.374 261 G CA 0.496 45.494 45.100 -0.170 0.000 1.039 261 G HN 1.721 nan 8.290 nan 0.000 0.576 262 V N -3.105 116.683 119.914 -0.211 0.000 3.178 262 V HA 0.713 4.834 4.120 0.002 0.000 0.302 262 V C -1.111 174.764 176.094 -0.364 0.000 1.262 262 V CA -1.045 61.114 62.300 -0.236 0.000 1.030 262 V CB 1.894 33.609 31.823 -0.180 0.000 1.074 262 V HN 0.624 nan 8.190 nan 0.000 0.438 263 I N 2.021 122.398 120.570 -0.321 0.000 2.495 263 I HA 0.557 4.728 4.170 0.002 0.000 0.277 263 I C -0.091 175.857 176.117 -0.282 0.000 1.045 263 I CA -0.030 61.050 61.300 -0.366 0.000 1.135 263 I CB 1.349 39.177 38.000 -0.288 0.000 1.241 263 I HN 0.823 nan 8.210 nan 0.000 0.469 264 E N 3.541 123.546 120.200 -0.326 0.000 2.396 264 E HA 0.842 5.193 4.350 0.002 0.000 0.251 264 E C -0.648 175.974 176.600 0.036 0.000 0.949 264 E CA -1.032 55.309 56.400 -0.099 0.000 0.834 264 E CB 2.118 31.813 29.700 -0.008 0.000 1.309 264 E HN 0.542 nan 8.360 nan 0.000 0.405 265 A N 0.462 123.333 122.820 0.084 0.000 2.330 265 A HA 0.713 5.034 4.320 0.002 0.000 0.329 265 A C -0.798 176.858 177.584 0.120 0.000 1.135 265 A CA -0.634 51.461 52.037 0.096 0.000 0.817 265 A CB 1.069 20.090 19.000 0.035 0.000 1.269 265 A HN 0.363 nan 8.150 nan 0.000 0.469 266 V N -0.896 119.073 119.914 0.091 0.000 2.760 266 V HA 0.802 4.923 4.120 0.002 0.000 0.309 266 V C 0.032 176.144 176.094 0.030 0.000 1.077 266 V CA -0.125 62.203 62.300 0.047 0.000 0.910 266 V CB 0.898 32.735 31.823 0.023 0.000 1.008 266 V HN 1.296 nan 8.190 nan 0.000 0.424 267 T N -0.733 113.829 114.554 0.013 0.000 2.828 267 T HA 0.257 4.608 4.350 0.002 0.000 0.290 267 T C 0.601 175.312 174.700 0.018 0.000 1.019 267 T CA 0.338 62.444 62.100 0.011 0.000 1.031 267 T CB 0.919 69.787 68.868 -0.000 0.000 1.001 267 T HN 0.721 nan 8.240 nan 0.000 0.531 268 D N 0.109 120.518 120.400 0.015 0.000 2.149 268 D HA -0.074 4.567 4.640 0.002 0.000 0.198 268 D C 1.918 178.236 176.300 0.031 0.000 0.990 268 D CA 1.213 55.222 54.000 0.015 0.000 0.839 268 D CB -0.228 40.574 40.800 0.003 0.000 0.948 268 D HN 0.817 nan 8.370 nan 0.000 0.460 269 E N 1.021 121.240 120.200 0.031 0.000 2.077 269 E HA -0.170 4.181 4.350 0.002 0.000 0.193 269 E C 1.715 178.367 176.600 0.086 0.000 0.989 269 E CA 1.255 57.686 56.400 0.052 0.000 0.800 269 E CB -0.075 29.641 29.700 0.027 0.000 0.746 269 E HN 0.330 nan 8.360 nan 0.000 0.452 270 E N -0.263 119.966 120.200 0.049 0.000 2.106 270 E HA -0.132 4.219 4.350 0.002 0.000 0.192 270 E C 2.199 178.886 176.600 0.145 0.000 0.984 270 E CA 1.162 57.595 56.400 0.054 0.000 0.806 270 E CB -0.138 29.558 29.700 -0.006 0.000 0.750 270 E HN 0.369 nan 8.360 nan 0.000 0.458 271 I N 0.949 121.583 120.570 0.107 0.000 2.226 271 I HA -0.284 3.887 4.170 0.002 0.000 0.245 271 I C 2.282 178.505 176.117 0.177 0.000 1.100 271 I CA 0.994 62.365 61.300 0.119 0.000 1.374 271 I CB -0.204 37.829 38.000 0.056 0.000 1.057 271 I HN 0.137 nan 8.210 nan 0.000 0.413 272 L N -0.441 120.871 121.223 0.149 0.000 2.131 272 L HA -0.222 4.119 4.340 0.002 0.000 0.210 272 L C 2.562 179.600 176.870 0.280 0.000 1.092 272 L CA 1.249 56.200 54.840 0.184 0.000 0.759 272 L CB -0.572 41.555 42.059 0.114 0.000 0.903 272 L HN 0.211 nan 8.230 nan 0.000 0.435 273 F N 0.948 120.967 119.950 0.115 0.000 2.113 273 F HA -0.191 4.337 4.527 0.002 0.000 0.297 273 F C 2.462 178.372 175.800 0.183 0.000 1.103 273 F CA 1.324 59.375 58.000 0.085 0.000 1.248 273 F CB -0.210 38.766 39.000 -0.041 0.000 0.999 273 F HN -0.021 nan 8.300 nan 0.000 0.475 274 A N -0.655 122.462 122.820 0.495 0.000 1.933 274 A HA -0.236 4.085 4.320 0.002 0.000 0.218 274 A C 2.093 179.886 177.584 0.349 0.000 1.175 274 A CA 1.555 53.905 52.037 0.522 0.000 0.628 274 A CB -1.673 17.580 19.000 0.421 0.000 0.814 274 A HN 0.639 nan 8.150 nan 0.000 0.444 275 Y N 0.834 121.225 120.300 0.151 0.000 2.128 275 Y HA -0.249 4.302 4.550 0.002 0.000 0.284 275 Y C 2.467 178.409 175.900 0.070 0.000 1.154 275 Y CA 2.239 60.398 58.100 0.098 0.000 1.149 275 Y CB -0.279 38.232 38.460 0.086 0.000 0.976 275 Y HN 0.270 nan 8.280 nan 0.000 0.505 276 R N -1.487 119.022 120.500 0.014 0.000 2.073 276 R HA -0.184 4.157 4.340 0.002 0.000 0.229 276 R C 2.174 178.372 176.300 -0.170 0.000 1.120 276 R CA 1.455 57.461 56.100 -0.157 0.000 0.967 276 R CB -1.002 29.216 30.300 -0.137 0.000 0.862 276 R HN 0.477 nan 8.270 nan 0.000 0.436 277 Y N 2.096 122.269 120.300 -0.212 0.000 2.081 277 Y HA -0.241 4.310 4.550 0.002 0.000 0.280 277 Y C 1.982 177.838 175.900 -0.074 0.000 1.163 277 Y CA 1.580 59.604 58.100 -0.125 0.000 1.135 277 Y CB -0.435 38.081 38.460 0.093 0.000 0.970 277 Y HN -0.073 nan 8.280 nan 0.000 0.498 278 L N -0.343 120.784 121.223 -0.159 0.000 2.046 278 L HA -0.239 4.102 4.340 0.002 0.000 0.208 278 L C 2.775 179.470 176.870 -0.291 0.000 1.077 278 L CA 1.283 55.972 54.840 -0.253 0.000 0.747 278 L CB -0.998 41.007 42.059 -0.090 0.000 0.896 278 L HN 0.376 nan 8.230 nan 0.000 0.432 279 A N 0.009 122.676 122.820 -0.256 0.000 1.854 279 A HA -0.126 4.195 4.320 0.002 0.000 0.214 279 A C 2.383 179.822 177.584 -0.242 0.000 1.192 279 A CA 1.105 53.003 52.037 -0.233 0.000 0.611 279 A CB -0.362 18.476 19.000 -0.270 0.000 0.832 279 A HN 0.288 nan 8.150 nan 0.000 0.442 280 R N -0.522 119.824 120.500 -0.257 0.000 2.148 280 R HA -0.010 4.331 4.340 0.002 0.000 0.223 280 R C 1.393 177.550 176.300 -0.238 0.000 1.088 280 R CA 1.404 57.373 56.100 -0.220 0.000 0.985 280 R CB -0.060 30.128 30.300 -0.187 0.000 0.880 280 R HN 0.645 nan 8.270 nan 0.000 0.451 281 E N -0.706 119.274 120.200 -0.366 0.000 2.453 281 E HA 0.024 4.375 4.350 0.002 0.000 0.211 281 E C 1.059 177.441 176.600 -0.363 0.000 0.897 281 E CA 0.061 56.236 56.400 -0.374 0.000 1.063 281 E CB 0.721 30.125 29.700 -0.493 0.000 1.080 281 E HN 0.146 nan 8.360 nan 0.000 0.512 282 E N -0.214 119.742 120.200 -0.407 0.000 2.465 282 E HA 0.098 4.449 4.350 0.002 0.000 0.209 282 E C 1.079 177.564 176.600 -0.193 0.000 0.951 282 E CA 0.590 56.820 56.400 -0.283 0.000 0.997 282 E CB 1.323 30.841 29.700 -0.303 0.000 1.025 282 E HN 0.295 nan 8.360 nan 0.000 0.500 283 G N 2.088 110.774 108.800 -0.190 0.000 2.143 283 G HA2 -0.272 3.689 3.960 0.002 0.000 0.248 283 G HA3 -0.272 3.689 3.960 0.002 0.000 0.248 283 G C 0.253 175.093 174.900 -0.099 0.000 0.991 283 G CA 0.337 45.363 45.100 -0.123 0.000 0.689 283 G HN 0.234 nan 8.290 nan 0.000 0.522 284 I N 0.300 120.772 120.570 -0.164 0.000 2.339 284 I HA 0.491 4.662 4.170 0.002 0.000 0.290 284 I C -0.372 175.679 176.117 -0.111 0.000 0.994 284 I CA -1.044 60.121 61.300 -0.224 0.000 1.191 284 I CB 1.254 39.005 38.000 -0.414 0.000 1.343 284 I HN 0.025 nan 8.210 nan 0.000 0.458 285 F N 8.603 128.418 119.950 -0.225 0.000 2.332 285 F HA 0.511 5.039 4.527 0.001 0.000 0.368 285 F C 0.090 175.776 175.800 -0.190 0.000 1.110 285 F CA -1.371 56.500 58.000 -0.215 0.000 1.087 285 F CB 0.433 39.338 39.000 -0.159 0.000 1.235 285 F HN 0.572 nan 8.300 nan 0.000 0.470 286 C N 3.984 123.126 119.300 -0.263 0.000 2.848 286 C HA 0.816 5.277 4.460 0.002 0.000 0.317 286 C C -0.189 174.748 174.990 -0.089 0.000 1.260 286 C CA -0.959 57.953 59.018 -0.178 0.000 1.656 286 C CB 1.182 28.916 27.740 -0.010 0.000 2.174 286 C HN 0.857 nan 8.230 nan 0.000 0.479 287 E N 2.418 122.590 120.200 -0.046 0.000 2.392 287 E HA 0.272 4.623 4.350 0.002 0.000 0.256 287 E C -1.644 174.987 176.600 0.051 0.000 1.145 287 E CA -0.985 55.414 56.400 -0.001 0.000 0.929 287 E CB 0.307 29.995 29.700 -0.021 0.000 0.998 287 E HN 0.524 nan 8.360 nan 0.000 0.442 288 P HA -0.351 nan 4.420 nan 0.000 0.215 288 P C 1.353 178.662 177.300 0.015 0.000 1.163 288 P CA 2.314 65.363 63.100 -0.085 0.000 0.894 288 P CB -0.143 31.442 31.700 -0.192 0.000 0.791 289 A N 0.163 122.992 122.820 0.016 0.000 1.903 289 A HA -0.231 4.090 4.320 0.002 0.000 0.219 289 A C 2.539 180.168 177.584 0.076 0.000 1.191 289 A CA 2.814 54.879 52.037 0.047 0.000 0.638 289 A CB -1.688 17.345 19.000 0.055 0.000 0.823 289 A HN 0.278 nan 8.150 nan 0.000 0.451 290 S N -0.245 115.510 115.700 0.091 0.000 2.368 290 S HA -0.001 4.470 4.470 0.002 0.000 0.224 290 S C 2.277 176.934 174.600 0.094 0.000 1.029 290 S CA 1.102 59.366 58.200 0.107 0.000 0.988 290 S CB -0.532 62.740 63.200 0.119 0.000 0.838 290 S HN 0.865 nan 8.310 nan 0.000 0.462 291 A N 1.662 124.550 122.820 0.113 0.000 2.024 291 A HA 0.058 4.379 4.320 0.002 0.000 0.220 291 A C 2.312 179.949 177.584 0.089 0.000 1.164 291 A CA 1.591 53.708 52.037 0.134 0.000 0.643 291 A CB -0.992 18.146 19.000 0.230 0.000 0.806 291 A HN 0.520 nan 8.150 nan 0.000 0.451 292 A N -0.100 122.762 122.820 0.069 0.000 1.986 292 A HA 0.074 4.395 4.320 0.002 0.000 0.220 292 A C 2.442 180.005 177.584 -0.035 0.000 1.171 292 A CA 2.102 54.161 52.037 0.038 0.000 0.640 292 A CB -0.874 18.168 19.000 0.069 0.000 0.811 292 A HN 1.084 nan 8.150 nan 0.000 0.451 293 A N -1.157 121.668 122.820 0.008 0.000 1.902 293 A HA -0.083 4.238 4.320 0.002 0.000 0.217 293 A C 2.144 179.624 177.584 -0.173 0.000 1.181 293 A CA 2.156 54.186 52.037 -0.013 0.000 0.623 293 A CB -0.423 18.619 19.000 0.070 0.000 0.818 293 A HN 0.565 nan 8.150 nan 0.000 0.443 294 M N 0.062 119.594 119.600 -0.113 0.000 2.254 294 M HA 0.131 4.612 4.480 0.002 0.000 0.265 294 M C 2.033 178.202 176.300 -0.219 0.000 1.066 294 M CA 1.407 56.593 55.300 -0.189 0.000 1.123 294 M CB -0.575 31.986 32.600 -0.064 0.000 1.388 294 M HN 0.343 nan 8.290 nan 0.000 0.425 295 A N -0.535 122.235 122.820 -0.084 0.000 1.969 295 A HA 0.094 4.415 4.320 0.002 0.000 0.218 295 A C 2.293 179.698 177.584 -0.299 0.000 1.169 295 A CA 1.554 53.589 52.037 -0.003 0.000 0.635 295 A CB -1.651 17.358 19.000 0.014 0.000 0.810 295 A HN 0.588 nan 8.150 nan 0.000 0.445 296 G N -0.538 107.784 108.800 -0.797 0.000 2.402 296 G HA2 -0.080 3.881 3.960 0.002 0.000 0.216 296 G HA3 -0.080 3.881 3.960 0.002 0.000 0.216 296 G C 1.470 175.834 174.900 -0.893 0.000 1.162 296 G CA 1.176 45.184 45.100 -1.820 0.000 0.777 296 G HN 0.305 nan 8.290 nan 0.000 0.539 297 V N 0.257 119.824 119.914 -0.578 0.000 2.407 297 V HA -0.101 4.020 4.120 0.002 0.000 0.248 297 V C 2.433 178.369 176.094 -0.262 0.000 1.055 297 V CA 1.381 63.474 62.300 -0.345 0.000 1.049 297 V CB -0.633 30.976 31.823 -0.357 0.000 0.662 297 V HN 0.392 nan 8.190 nan 0.000 0.455 298 F N 0.409 120.209 119.950 -0.250 0.000 2.134 298 F HA -0.203 4.324 4.527 0.002 0.000 0.299 298 F C 2.567 178.247 175.800 -0.201 0.000 1.097 298 F CA 1.977 59.844 58.000 -0.221 0.000 1.264 298 F CB -0.144 38.723 39.000 -0.221 0.000 1.001 298 F HN 0.033 nan 8.300 nan 0.000 0.479 299 K N 0.478 120.872 120.400 -0.009 0.000 2.009 299 K HA -0.222 4.099 4.320 0.002 0.000 0.210 299 K C 1.916 178.503 176.600 -0.021 0.000 1.049 299 K CA 1.513 57.778 56.287 -0.036 0.000 0.929 299 K CB -0.282 32.194 32.500 -0.040 0.000 0.714 299 K HN 0.110 nan 8.250 nan 0.000 0.440 300 L N 1.299 122.507 121.223 -0.025 0.000 2.083 300 L HA -0.131 4.210 4.340 0.002 0.000 0.209 300 L C 2.196 179.033 176.870 -0.054 0.000 1.083 300 L CA 1.329 56.155 54.840 -0.024 0.000 0.752 300 L CB -0.489 41.554 42.059 -0.027 0.000 0.899 300 L HN 0.226 nan 8.230 nan 0.000 0.433 301 L N -1.059 120.126 121.223 -0.064 0.000 2.017 301 L HA -0.221 4.120 4.340 0.002 0.000 0.208 301 L C 2.756 179.606 176.870 -0.033 0.000 1.073 301 L CA 1.259 56.066 54.840 -0.054 0.000 0.745 301 L CB -0.542 41.495 42.059 -0.037 0.000 0.894 301 L HN 0.257 nan 8.230 nan 0.000 0.432 302 R N 0.712 121.197 120.500 -0.025 0.000 2.139 302 R HA -0.202 4.139 4.340 0.002 0.000 0.243 302 R C 1.575 177.852 176.300 -0.037 0.000 1.145 302 R CA 1.726 57.801 56.100 -0.041 0.000 0.976 302 R CB -0.056 30.205 30.300 -0.064 0.000 0.866 302 R HN 0.480 nan 8.270 nan 0.000 0.449 303 E N -1.152 119.029 120.200 -0.030 0.000 2.479 303 E HA 0.096 4.447 4.350 0.002 0.000 0.193 303 E C 0.494 177.081 176.600 -0.022 0.000 1.049 303 E CA 0.325 56.711 56.400 -0.023 0.000 0.870 303 E CB 0.615 30.307 29.700 -0.014 0.000 0.944 303 E HN 0.584 nan 8.360 nan 0.000 0.492 304 G N 2.454 111.237 108.800 -0.029 0.000 2.273 304 G HA2 -0.353 3.608 3.960 0.002 0.000 0.280 304 G HA3 -0.353 3.608 3.960 0.002 0.000 0.280 304 G C 0.588 175.473 174.900 -0.025 0.000 1.047 304 G CA 0.378 45.462 45.100 -0.028 0.000 0.869 304 G HN 0.271 nan 8.290 nan 0.000 0.502 305 R N -1.099 119.379 120.500 -0.036 0.000 2.359 305 R HA 0.350 4.691 4.340 0.002 0.000 0.231 305 R C 0.639 176.904 176.300 -0.058 0.000 0.913 305 R CA 0.042 56.127 56.100 -0.024 0.000 1.075 305 R CB 0.376 30.670 30.300 -0.010 0.000 1.087 305 R HN 0.418 nan 8.270 nan 0.000 0.515 306 L N 1.495 122.648 121.223 -0.117 0.000 2.325 306 L HA 0.330 4.671 4.340 0.002 0.000 0.281 306 L C 0.441 177.285 176.870 -0.043 0.000 1.004 306 L CA -0.720 53.980 54.840 -0.232 0.000 0.823 306 L CB 1.487 43.306 42.059 -0.400 0.000 1.236 306 L HN 0.132 nan 8.230 nan 0.000 0.415 307 E N 4.530 124.799 120.200 0.115 0.000 2.413 307 E HA 0.264 4.615 4.350 0.002 0.000 0.263 307 E C -2.544 174.078 176.600 0.037 0.000 1.015 307 E CA -1.363 55.085 56.400 0.080 0.000 0.916 307 E CB -0.515 29.236 29.700 0.085 0.000 0.947 307 E HN 0.351 nan 8.360 nan 0.000 0.440 308 P HA 0.083 nan 4.420 nan 0.000 0.271 308 P C 0.060 177.360 177.300 0.001 0.000 1.233 308 P CA 0.121 63.223 63.100 0.005 0.000 0.789 308 P CB 0.581 32.282 31.700 0.002 0.000 0.951 309 E N -2.466 117.745 120.200 0.019 0.000 3.547 309 E HA -0.187 4.164 4.350 0.002 0.000 0.300 309 E C 0.190 176.821 176.600 0.052 0.000 0.857 309 E CA 1.293 57.714 56.400 0.034 0.000 1.039 309 E CB -2.323 27.388 29.700 0.019 0.000 1.524 309 E HN 0.648 nan 8.360 nan 0.000 0.457 310 S N -0.678 115.051 115.700 0.049 0.000 2.645 310 S HA 0.555 5.026 4.470 0.002 0.000 0.266 310 S C 0.368 175.176 174.600 0.346 0.000 1.258 310 S CA -0.358 57.920 58.200 0.131 0.000 0.990 310 S CB 2.135 65.443 63.200 0.180 0.000 0.967 310 S HN 0.013 nan 8.310 nan 0.000 0.556 311 T N 1.341 116.245 114.554 0.583 0.000 2.797 311 T HA 0.582 4.933 4.350 0.002 0.000 0.279 311 T C -0.915 174.002 174.700 0.362 0.000 0.991 311 T CA -0.548 61.788 62.100 0.392 0.000 0.979 311 T CB 1.141 70.166 68.868 0.262 0.000 0.943 311 T HN 0.553 nan 8.240 nan 0.000 0.444 312 V N 4.066 124.157 119.914 0.294 0.000 2.444 312 V HA 0.496 4.617 4.120 0.002 0.000 0.294 312 V C -0.239 175.960 176.094 0.175 0.000 1.022 312 V CA -0.788 61.646 62.300 0.222 0.000 0.850 312 V CB 1.794 33.681 31.823 0.106 0.000 0.992 312 V HN 0.682 nan 8.190 nan 0.000 0.426 313 V N 6.239 126.190 119.914 0.062 0.000 2.483 313 V HA 0.578 4.699 4.120 0.002 0.000 0.295 313 V C -0.526 175.518 176.094 -0.083 0.000 1.035 313 V CA -0.581 61.677 62.300 -0.070 0.000 0.896 313 V CB 1.760 33.367 31.823 -0.359 0.000 0.986 313 V HN 0.620 nan 8.190 nan 0.000 0.447 314 L N 3.187 124.421 121.223 0.018 0.000 2.362 314 L HA 0.526 4.867 4.340 0.002 0.000 0.275 314 L C 0.338 177.313 176.870 0.175 0.000 0.998 314 L CA -0.021 54.889 54.840 0.117 0.000 0.820 314 L CB 2.140 44.234 42.059 0.058 0.000 1.270 314 L HN 0.563 nan 8.230 nan 0.000 0.415 315 T N 4.382 119.101 114.554 0.276 0.000 3.005 315 T HA 0.393 4.744 4.350 0.002 0.000 0.323 315 T C 0.324 175.126 174.700 0.170 0.000 1.131 315 T CA -0.291 61.969 62.100 0.266 0.000 0.977 315 T CB -0.317 68.732 68.868 0.302 0.000 1.055 315 T HN 0.272 nan 8.240 nan 0.000 0.562 316 L N 4.320 125.646 121.223 0.171 0.000 2.462 316 L HA 0.124 4.465 4.340 0.002 0.000 0.283 316 L C 2.266 179.287 176.870 0.251 0.000 1.166 316 L CA -0.481 54.457 54.840 0.163 0.000 0.964 316 L CB -0.282 41.831 42.059 0.091 0.000 1.294 316 L HN 0.731 nan 8.230 nan 0.000 0.449 317 T N -0.947 113.756 114.554 0.248 0.000 2.778 317 T HA -0.074 4.277 4.350 0.002 0.000 0.269 317 T C 0.898 175.808 174.700 0.350 0.000 1.050 317 T CA 0.922 63.263 62.100 0.401 0.000 1.137 317 T CB -0.053 69.090 68.868 0.458 0.000 0.860 317 T HN 0.610 nan 8.240 nan 0.000 0.468 318 G N -0.634 108.309 108.800 0.238 0.000 2.660 318 G HA2 0.498 4.459 3.960 0.002 0.000 0.294 318 G HA3 0.498 4.459 3.960 0.002 0.000 0.294 318 G C -1.665 173.334 174.900 0.165 0.000 1.369 318 G CA -0.770 44.436 45.100 0.176 0.000 0.912 318 G HN 0.338 nan 8.290 nan 0.000 0.479 319 H N 0.329 119.428 119.070 0.048 0.000 2.562 319 H HA 0.268 4.825 4.556 0.002 0.000 0.352 319 H C 1.667 176.879 175.328 -0.192 0.000 1.125 319 H CA 0.718 56.768 56.048 0.003 0.000 1.379 319 H CB 1.682 31.424 29.762 -0.033 0.000 1.464 319 H HN 0.567 nan 8.280 nan 0.000 0.563 320 G N 4.170 112.540 108.800 -0.717 0.000 2.450 320 G HA2 -0.193 3.768 3.960 0.002 0.000 0.220 320 G HA3 -0.193 3.768 3.960 0.002 0.000 0.220 320 G C 1.747 176.326 174.900 -0.534 0.000 1.130 320 G CA 0.314 44.575 45.100 -1.398 0.000 0.760 320 G HN 0.646 nan 8.290 nan 0.000 0.557 321 L N -0.469 120.874 121.223 0.199 0.000 2.450 321 L HA 0.002 4.343 4.340 0.002 0.000 0.224 321 L C 2.673 179.627 176.870 0.139 0.000 1.149 321 L CA 0.648 55.677 54.840 0.315 0.000 0.816 321 L CB -0.150 42.062 42.059 0.256 0.000 0.932 321 L HN 0.119 nan 8.230 nan 0.000 0.449 322 K N 0.134 120.581 120.400 0.079 0.000 2.217 322 K HA -0.107 4.214 4.320 0.002 0.000 0.202 322 K C 0.379 177.001 176.600 0.036 0.000 1.051 322 K CA 0.796 57.110 56.287 0.045 0.000 0.952 322 K CB 0.067 32.588 32.500 0.034 0.000 0.736 322 K HN 0.065 nan 8.250 nan 0.000 0.453 323 D N -0.715 119.705 120.400 0.033 0.000 2.400 323 D HA 0.145 4.786 4.640 0.002 0.000 0.272 323 D C -2.054 174.304 176.300 0.098 0.000 1.220 323 D CA -2.133 51.891 54.000 0.039 0.000 0.897 323 D CB 1.242 42.038 40.800 -0.005 0.000 1.134 323 D HN -0.081 nan 8.370 nan 0.000 0.507 324 P HA -0.076 nan 4.420 nan 0.000 0.221 324 P C 1.238 178.606 177.300 0.114 0.000 1.150 324 P CA 0.484 63.672 63.100 0.147 0.000 0.800 324 P CB 0.373 32.141 31.700 0.114 0.000 0.787 325 A N 0.374 123.238 122.820 0.073 0.000 1.908 325 A HA -0.148 4.173 4.320 0.002 0.000 0.218 325 A C 2.342 179.954 177.584 0.047 0.000 1.181 325 A CA 2.428 54.495 52.037 0.051 0.000 0.627 325 A CB -1.834 17.184 19.000 0.030 0.000 0.818 325 A HN 0.201 nan 8.150 nan 0.000 0.445 326 T N -0.105 114.467 114.554 0.029 0.000 2.904 326 T HA 0.131 4.482 4.350 0.002 0.000 0.267 326 T C 2.198 176.964 174.700 0.110 0.000 1.059 326 T CA 1.160 63.248 62.100 -0.020 0.000 1.137 326 T CB -0.322 68.421 68.868 -0.207 0.000 0.879 326 T HN 0.579 nan 8.240 nan 0.000 0.467 327 A N 1.793 124.755 122.820 0.238 0.000 1.902 327 A HA -0.125 4.196 4.320 0.002 0.000 0.217 327 A C 2.143 179.840 177.584 0.189 0.000 1.181 327 A CA 1.447 53.689 52.037 0.343 0.000 0.623 327 A CB -0.470 18.770 19.000 0.400 0.000 0.818 327 A HN 0.531 nan 8.150 nan 0.000 0.443 328 E N -1.048 119.231 120.200 0.131 0.000 2.274 328 E HA -0.138 4.213 4.350 0.002 0.000 0.194 328 E C 2.178 178.820 176.600 0.071 0.000 0.996 328 E CA 0.730 57.181 56.400 0.085 0.000 0.840 328 E CB -0.085 29.656 29.700 0.067 0.000 0.772 328 E HN 0.643 nan 8.360 nan 0.000 0.491 329 R N 0.630 121.175 120.500 0.074 0.000 2.090 329 R HA -0.075 4.266 4.340 0.002 0.000 0.228 329 R C 1.916 178.258 176.300 0.071 0.000 1.110 329 R CA 0.898 57.032 56.100 0.057 0.000 0.973 329 R CB 0.170 30.492 30.300 0.037 0.000 0.869 329 R HN 0.005 nan 8.270 nan 0.000 0.440 330 V N 1.062 121.044 119.914 0.113 0.000 2.649 330 V HA 0.155 4.276 4.120 0.002 0.000 0.248 330 V C 1.165 177.304 176.094 0.075 0.000 1.054 330 V CA 0.859 63.231 62.300 0.121 0.000 1.073 330 V CB -0.196 31.763 31.823 0.227 0.000 0.699 330 V HN 0.401 nan 8.190 nan 0.000 0.463 331 A N 0.780 123.642 122.820 0.070 0.000 2.371 331 A HA 0.531 4.852 4.320 0.002 0.000 0.257 331 A C 0.078 177.677 177.584 0.025 0.000 1.089 331 A CA 0.058 52.115 52.037 0.033 0.000 0.794 331 A CB 0.340 19.357 19.000 0.028 0.000 1.029 331 A HN 0.506 nan 8.150 nan 0.000 0.488 332 E N 1.929 122.136 120.200 0.011 0.000 2.347 332 E HA 0.414 4.765 4.350 0.002 0.000 0.285 332 E C -1.798 174.803 176.600 0.001 0.000 0.925 332 E CA -0.568 55.837 56.400 0.009 0.000 0.779 332 E CB 1.043 30.749 29.700 0.010 0.000 1.233 332 E HN 0.642 nan 8.360 nan 0.000 0.414 333 L N 5.470 126.694 121.223 0.001 0.000 2.319 333 L HA 0.421 4.762 4.340 0.002 0.000 0.280 333 L C -1.604 175.265 176.870 -0.002 0.000 1.099 333 L CA -1.518 53.320 54.840 -0.002 0.000 0.828 333 L CB 0.401 42.460 42.059 -0.001 0.000 1.150 333 L HN 0.494 nan 8.230 nan 0.000 0.442 334 P HA 0.237 nan 4.420 nan 0.000 0.274 334 P C -2.573 174.725 177.300 -0.003 0.000 1.246 334 P CA -1.224 61.873 63.100 -0.004 0.000 0.795 334 P CB -0.208 31.488 31.700 -0.007 0.000 1.006 335 P HA 0.153 nan 4.420 nan 0.000 0.267 335 P C -2.062 175.236 177.300 -0.003 0.000 1.205 335 P CA -0.817 62.282 63.100 -0.002 0.000 0.765 335 P CB -0.730 30.969 31.700 -0.002 0.000 0.828 336 P HA 0.054 nan 4.420 nan 0.000 0.269 336 P C -0.252 177.046 177.300 -0.003 0.000 1.217 336 P CA 0.025 63.123 63.100 -0.003 0.000 0.783 336 P CB 0.557 32.255 31.700 -0.002 0.000 0.898 337 V N -1.942 117.970 119.914 -0.004 0.000 3.141 337 V HA 0.666 4.787 4.120 0.002 0.000 0.312 337 V C -2.709 173.383 176.094 -0.003 0.000 1.157 337 V CA -2.477 59.821 62.300 -0.004 0.000 1.041 337 V CB 0.294 32.115 31.823 -0.004 0.000 1.071 337 V HN 0.331 nan 8.190 nan 0.000 0.441 338 P HA 0.412 nan 4.420 nan 0.000 0.269 338 P C -0.062 177.236 177.300 -0.003 0.000 1.209 338 P CA 0.089 63.187 63.100 -0.003 0.000 0.776 338 P CB 0.653 32.352 31.700 -0.003 0.000 0.876 339 A N 3.759 126.577 122.820 -0.003 0.000 3.004 339 A HA 0.106 4.427 4.320 0.002 0.000 0.252 339 A C 0.292 177.873 177.584 -0.003 0.000 1.802 339 A CA 0.116 52.151 52.037 -0.003 0.000 1.424 339 A CB -0.935 18.063 19.000 -0.003 0.000 1.005 339 A HN 0.434 nan 8.150 nan 0.000 0.631 340 R N -0.070 120.428 120.500 -0.004 0.000 2.621 340 R HA 0.352 4.693 4.340 0.002 0.000 0.292 340 R C 0.672 176.970 176.300 -0.004 0.000 0.969 340 R CA -0.947 55.151 56.100 -0.004 0.000 0.887 340 R CB 1.304 31.602 30.300 -0.003 0.000 1.180 340 R HN 0.339 nan 8.270 nan 0.000 0.450 341 L N 2.530 123.751 121.223 -0.004 0.000 2.051 341 L HA -0.237 4.104 4.340 0.002 0.000 0.214 341 L C 1.349 178.216 176.870 -0.005 0.000 1.076 341 L CA 2.102 56.939 54.840 -0.004 0.000 0.758 341 L CB -0.165 41.891 42.059 -0.004 0.000 0.890 341 L HN 0.643 nan 8.230 nan 0.000 0.433 342 E N 0.009 120.206 120.200 -0.004 0.000 2.051 342 E HA -0.145 4.206 4.350 0.002 0.000 0.192 342 E C 2.250 178.847 176.600 -0.004 0.000 0.991 342 E CA 1.559 57.957 56.400 -0.004 0.000 0.799 342 E CB -0.720 28.978 29.700 -0.003 0.000 0.748 342 E HN 0.634 nan 8.360 nan 0.000 0.449 343 A N 0.465 123.282 122.820 -0.004 0.000 1.930 343 A HA -0.120 4.201 4.320 0.002 0.000 0.217 343 A C 2.456 180.036 177.584 -0.005 0.000 1.175 343 A CA 1.291 53.325 52.037 -0.005 0.000 0.627 343 A CB -0.606 18.391 19.000 -0.004 0.000 0.815 343 A HN 0.143 nan 8.150 nan 0.000 0.443 344 V N -0.119 119.791 119.914 -0.006 0.000 2.270 344 V HA -0.224 3.897 4.120 0.002 0.000 0.245 344 V C 3.064 179.153 176.094 -0.008 0.000 1.043 344 V CA 1.932 64.228 62.300 -0.007 0.000 1.014 344 V CB -1.320 30.499 31.823 -0.007 0.000 0.645 344 V HN 0.584 nan 8.190 nan 0.000 0.447 345 A N -0.119 122.697 122.820 -0.007 0.000 1.978 345 A HA -0.126 4.195 4.320 0.002 0.000 0.220 345 A C 2.374 179.953 177.584 -0.007 0.000 1.170 345 A CA 2.183 54.215 52.037 -0.007 0.000 0.636 345 A CB -0.701 18.296 19.000 -0.006 0.000 0.810 345 A HN 0.583 nan 8.150 nan 0.000 0.448 346 A N -0.084 122.733 122.820 -0.006 0.000 1.841 346 A HA 0.218 4.539 4.320 0.002 0.000 0.214 346 A C 2.465 180.045 177.584 -0.007 0.000 1.195 346 A CA 1.891 53.925 52.037 -0.006 0.000 0.611 346 A CB -1.125 17.872 19.000 -0.005 0.000 0.835 346 A HN 1.141 nan 8.150 nan 0.000 0.443 347 A N -0.713 122.103 122.820 -0.007 0.000 2.178 347 A HA 0.288 4.609 4.320 0.002 0.000 0.218 347 A C 2.142 179.719 177.584 -0.010 0.000 1.157 347 A CA 1.697 53.729 52.037 -0.008 0.000 0.689 347 A CB -0.600 18.395 19.000 -0.008 0.000 0.787 347 A HN 0.991 nan 8.150 nan 0.000 0.465 348 A N -1.900 120.914 122.820 -0.011 0.000 2.095 348 A HA 0.434 4.755 4.320 0.002 0.000 0.212 348 A C 1.731 179.308 177.584 -0.013 0.000 1.162 348 A CA 1.158 53.188 52.037 -0.013 0.000 0.753 348 A CB -0.510 18.483 19.000 -0.013 0.000 0.840 348 A HN 1.817 nan 8.150 nan 0.000 0.468 349 G N -0.908 107.885 108.800 -0.011 0.000 2.165 349 G HA2 -0.165 3.796 3.960 0.002 0.000 0.226 349 G HA3 -0.165 3.796 3.960 0.002 0.000 0.226 349 G C 0.009 174.903 174.900 -0.010 0.000 1.035 349 G CA 0.333 45.427 45.100 -0.010 0.000 0.744 349 G HN 0.393 nan 8.290 nan 0.000 0.501 350 L N 0.000 121.218 121.223 -0.009 0.000 2.949 350 L HA 0.000 4.341 4.340 0.002 0.000 0.249 350 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 350 L CB 0.000 42.054 42.059 -0.009 0.000 0.961 350 L HN 0.000 nan 8.230 nan 0.000 0.502