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 2xh1_1_B DATA FIRST_RESID -1 DATA SEQUENCE EXXNYARFIT AASAARNPSP IXXXXXXXXX XXXXMISLAG GLPNPNMFPF DATA SEQUENCE KTAVITVENG KTIQFGEEMM KRALQYSPSA GIPELLSWLK QLQIKLHNPP DATA SEQUENCE TIHYPPSQGQ MDLCVTSGSQ QGLCKVFEMI INPGDNVLLD EPAYSGTLQS DATA SEQUENCE LHPLGCNIIN VASDESGIVP DSLRDILSRW KPEDAKNPQK NTPKFLYTVP DATA SEQUENCE NGNNPTGNSL TSERKKEIYE LARKYDFLII EDDPYYFLQF NKFRVPTFLS DATA SEQUENCE MDVDGRVIRA DSFSKIISSG LRIGFLTGPK PLIERVILHI QVSTLHPSTF DATA SEQUENCE NQLMISQLLH EWGEEGFMAH VDRVIDFYSN QKDAILAAAD KWLTGLAEWH DATA SEQUENCE VPAAGMFLWI KVKGINDVKE LIEEKAVKMG VLMLPGNAFY VDSSAPSPYL DATA SEQUENCE RASFSSASPE QMDVAFQVLA QLIKESL 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 E HA 0.000 nan 4.350 nan 0.000 0.291 -1 E C 0.000 176.367 176.600 -0.389 0.000 1.382 -1 E CA 0.000 56.195 56.400 -0.342 0.000 0.976 -1 E CB 0.000 29.342 29.700 -0.597 0.000 0.812 3 Y N 0.854 121.240 120.300 0.143 0.000 2.481 3 Y HA 0.385 4.935 4.550 -0.001 0.000 0.247 3 Y C 1.951 177.980 175.900 0.215 0.000 1.151 3 Y CA 0.516 58.775 58.100 0.264 0.000 1.238 3 Y CB 0.442 39.026 38.460 0.206 0.000 1.179 3 Y HN 0.734 nan 8.280 nan 0.000 0.524 4 A N 0.790 123.715 122.820 0.177 0.000 1.948 4 A HA -0.252 4.068 4.320 -0.001 0.000 0.220 4 A C 2.249 179.849 177.584 0.025 0.000 1.177 4 A CA 1.723 53.818 52.037 0.097 0.000 0.636 4 A CB -0.442 18.583 19.000 0.041 0.000 0.815 4 A HN 0.430 nan 8.150 nan 0.000 0.449 5 R N -1.663 118.772 120.500 -0.108 0.000 2.133 5 R HA -0.189 4.151 4.340 -0.001 0.000 0.247 5 R C 0.956 177.076 176.300 -0.301 0.000 1.151 5 R CA 1.875 57.787 56.100 -0.314 0.000 0.971 5 R CB -0.444 29.425 30.300 -0.720 0.000 0.866 5 R HN 0.631 nan 8.270 nan 0.000 0.447 6 F N -0.264 119.744 119.950 0.096 0.000 2.660 6 F HA 0.284 4.811 4.527 -0.001 0.000 0.302 6 F C 0.455 176.327 175.800 0.121 0.000 1.103 6 F CA -0.080 57.996 58.000 0.127 0.000 1.340 6 F CB 0.432 39.543 39.000 0.184 0.000 1.048 6 F HN -0.135 nan 8.300 nan 0.000 0.551 7 I N 0.095 120.798 120.570 0.222 0.000 2.545 7 I HA 0.195 4.364 4.170 -0.001 0.000 0.292 7 I C 0.430 176.606 176.117 0.099 0.000 1.040 7 I CA -0.882 60.517 61.300 0.164 0.000 1.068 7 I CB 2.023 40.112 38.000 0.149 0.000 1.251 7 I HN -0.032 nan 8.210 nan 0.000 0.424 8 T N 2.313 116.917 114.554 0.083 0.000 2.748 8 T HA 0.269 4.619 4.350 -0.001 0.000 0.304 8 T C 1.287 176.006 174.700 0.030 0.000 1.041 8 T CA 0.015 62.145 62.100 0.050 0.000 1.033 8 T CB 1.315 70.209 68.868 0.043 0.000 0.995 8 T HN 0.669 nan 8.240 nan 0.000 0.536 9 A N 1.453 124.283 122.820 0.016 0.000 1.883 9 A HA 0.085 4.405 4.320 -0.001 0.000 0.217 9 A C 2.710 180.293 177.584 -0.001 0.000 1.186 9 A CA 2.185 54.226 52.037 0.007 0.000 0.624 9 A CB -1.642 17.359 19.000 0.002 0.000 0.822 9 A HN 1.294 nan 8.150 nan 0.000 0.444 10 A N -0.895 121.920 122.820 -0.009 0.000 1.883 10 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 10 A C 2.530 180.089 177.584 -0.042 0.000 1.186 10 A CA 2.386 54.405 52.037 -0.030 0.000 0.624 10 A CB -1.074 17.901 19.000 -0.042 0.000 0.822 10 A HN 0.636 nan 8.150 nan 0.000 0.444 11 S N -0.442 115.242 115.700 -0.027 0.000 2.368 11 S HA -0.018 4.451 4.470 -0.001 0.000 0.225 11 S C 2.146 176.745 174.600 -0.001 0.000 1.030 11 S CA 1.509 59.695 58.200 -0.023 0.000 0.999 11 S CB -0.499 62.708 63.200 0.012 0.000 0.844 11 S HN 0.861 nan 8.310 nan 0.000 0.459 12 A N 0.859 123.688 122.820 0.015 0.000 2.019 12 A HA 0.248 4.568 4.320 -0.001 0.000 0.219 12 A C 2.269 179.859 177.584 0.009 0.000 1.164 12 A CA 1.634 53.683 52.037 0.021 0.000 0.644 12 A CB -0.989 18.028 19.000 0.029 0.000 0.805 12 A HN 0.759 nan 8.150 nan 0.000 0.449 13 A N -0.490 122.329 122.820 -0.003 0.000 2.167 13 A HA 0.103 4.423 4.320 -0.001 0.000 0.214 13 A C 1.293 178.872 177.584 -0.010 0.000 1.151 13 A CA -0.158 51.875 52.037 -0.006 0.000 0.735 13 A CB -0.165 18.828 19.000 -0.011 0.000 0.802 13 A HN 0.510 nan 8.150 nan 0.000 0.467 14 R N 1.411 121.902 120.500 -0.015 0.000 2.570 14 R HA 0.171 4.511 4.340 -0.001 0.000 0.277 14 R C -0.908 175.392 176.300 -0.001 0.000 1.039 14 R CA 0.094 56.185 56.100 -0.015 0.000 1.065 14 R CB 0.174 30.462 30.300 -0.021 0.000 0.964 14 R HN 0.378 nan 8.270 nan 0.000 0.428 15 N N 3.208 121.909 118.700 0.001 0.000 2.272 15 N HA 0.385 5.125 4.740 -0.001 0.000 0.305 15 N C -2.437 173.078 175.510 0.008 0.000 1.103 15 N CA -1.608 51.446 53.050 0.006 0.000 0.791 15 N CB 1.508 39.997 38.487 0.004 0.000 1.356 15 N HN 0.365 nan 8.380 nan 0.000 0.486 16 P HA 0.087 nan 4.420 nan 0.000 0.269 16 P C -0.389 176.914 177.300 0.005 0.000 1.215 16 P CA -0.085 63.020 63.100 0.009 0.000 0.780 16 P CB 0.386 32.091 31.700 0.009 0.000 0.898 17 S N 2.894 118.596 115.700 0.003 0.000 2.558 17 S HA 0.138 4.608 4.470 -0.001 0.000 0.287 17 S C -1.595 173.004 174.600 -0.001 0.000 1.321 17 S CA -0.629 57.571 58.200 -0.001 0.000 1.048 17 S CB -1.192 62.003 63.200 -0.007 0.000 0.844 17 S HN 0.460 nan 8.310 nan 0.000 0.512 18 P HA 0.484 nan 4.420 nan 0.000 0.296 18 P C 0.446 177.743 177.300 -0.005 0.000 1.295 18 P CA -0.622 62.477 63.100 -0.002 0.000 0.754 18 P CB 0.098 31.797 31.700 -0.001 0.000 1.311 34 I N 2.903 123.471 120.570 -0.004 0.000 2.352 34 I HA 0.447 4.616 4.170 -0.001 0.000 0.290 34 I C 0.055 176.170 176.117 -0.003 0.000 1.036 34 I CA -0.334 60.963 61.300 -0.004 0.000 1.336 34 I CB 1.400 39.398 38.000 -0.004 0.000 1.407 34 I HN 0.735 nan 8.210 nan 0.000 0.497 35 S N 6.996 122.694 115.700 -0.003 0.000 2.552 35 S HA 0.551 5.021 4.470 -0.001 0.000 0.314 35 S C 0.126 174.726 174.600 -0.000 0.000 1.099 35 S CA -0.669 57.530 58.200 -0.001 0.000 1.070 35 S CB 0.828 64.028 63.200 -0.001 0.000 0.998 35 S HN 0.602 nan 8.310 nan 0.000 0.474 36 L N 4.110 125.333 121.223 0.001 0.000 2.910 36 L HA 0.407 4.747 4.340 -0.001 0.000 0.252 36 L C 1.720 178.592 176.870 0.004 0.000 1.195 36 L CA -0.078 54.763 54.840 0.002 0.000 1.003 36 L CB 0.034 42.094 42.059 0.001 0.000 1.328 36 L HN 0.752 nan 8.230 nan 0.000 0.540 37 A N 0.005 122.827 122.820 0.003 0.000 2.238 37 A HA 0.373 4.693 4.320 -0.001 0.000 0.210 37 A C 1.254 178.840 177.584 0.004 0.000 1.179 37 A CA 0.364 52.403 52.037 0.003 0.000 0.827 37 A CB -0.128 18.872 19.000 0.001 0.000 0.856 37 A HN 0.316 nan 8.150 nan 0.000 0.488 38 G N -1.309 107.495 108.800 0.008 0.000 2.420 38 G HA2 0.431 4.391 3.960 -0.001 0.000 0.284 38 G HA3 0.431 4.391 3.960 -0.001 0.000 0.284 38 G C 0.602 175.516 174.900 0.022 0.000 1.177 38 G CA 0.124 45.232 45.100 0.013 0.000 0.841 38 G HN 0.478 nan 8.290 nan 0.000 0.527 39 G N 0.561 109.376 108.800 0.024 0.000 3.609 39 G HA2 0.363 4.323 3.960 -0.001 0.000 0.280 39 G HA3 0.363 4.323 3.960 -0.001 0.000 0.280 39 G C 0.349 175.312 174.900 0.104 0.000 1.155 39 G CA -0.416 44.709 45.100 0.041 0.000 0.876 39 G HN 0.432 nan 8.290 nan 0.000 0.535 40 L N 2.441 123.737 121.223 0.121 0.000 2.331 40 L HA 0.329 4.669 4.340 -0.001 0.000 0.278 40 L C -1.429 175.526 176.870 0.142 0.000 1.106 40 L CA -1.637 53.324 54.840 0.202 0.000 0.824 40 L CB 0.858 43.009 42.059 0.154 0.000 1.142 40 L HN 0.049 nan 8.230 nan 0.000 0.443 41 P HA 0.052 nan 4.420 nan 0.000 0.274 41 P C -0.930 176.303 177.300 -0.111 0.000 1.231 41 P CA -0.516 62.618 63.100 0.055 0.000 0.790 41 P CB 0.547 32.339 31.700 0.153 0.000 0.951 42 N N 2.447 121.034 118.700 -0.188 0.000 2.431 42 N HA 0.038 4.778 4.740 -0.001 0.000 0.265 42 N C -1.223 173.941 175.510 -0.576 0.000 1.184 42 N CA -1.237 51.655 53.050 -0.263 0.000 0.943 42 N CB 0.484 38.863 38.487 -0.181 0.000 1.080 42 N HN 0.262 nan 8.380 nan 0.000 0.477 43 P HA -0.061 nan 4.420 nan 0.000 0.233 43 P C 0.064 177.081 177.300 -0.473 0.000 1.167 43 P CA 0.738 63.366 63.100 -0.786 0.000 0.770 43 P CB 0.304 31.867 31.700 -0.229 0.000 0.837 44 N N -0.287 118.236 118.700 -0.296 0.000 2.453 44 N HA -0.026 4.713 4.740 -0.001 0.000 0.183 44 N C 1.422 176.836 175.510 -0.160 0.000 1.041 44 N CA 0.918 53.871 53.050 -0.163 0.000 0.900 44 N CB -0.258 38.163 38.487 -0.109 0.000 0.961 44 N HN 0.168 nan 8.380 nan 0.000 0.443 45 M N -0.218 119.218 119.600 -0.274 0.000 2.558 45 M HA 0.117 4.597 4.480 -0.001 0.000 0.255 45 M C 0.249 176.548 176.300 -0.001 0.000 1.113 45 M CA 0.080 55.287 55.300 -0.156 0.000 1.097 45 M CB -0.758 31.746 32.600 -0.160 0.000 1.426 45 M HN -0.055 nan 8.290 nan 0.000 0.488 46 F N 2.330 122.271 119.950 -0.014 0.000 2.443 46 F HA 0.121 4.648 4.527 -0.000 0.000 0.353 46 F C -0.932 174.830 175.800 -0.064 0.000 1.101 46 F CA -1.828 56.162 58.000 -0.016 0.000 1.226 46 F CB 0.565 39.601 39.000 0.061 0.000 1.140 46 F HN 0.025 nan 8.300 nan 0.000 0.557 47 P HA -0.080 nan 4.420 nan 0.000 0.224 47 P C -0.155 177.025 177.300 -0.199 0.000 1.157 47 P CA 0.794 63.775 63.100 -0.199 0.000 0.799 47 P CB 0.073 31.529 31.700 -0.407 0.000 0.809 48 F N 0.640 120.645 119.950 0.092 0.000 2.456 48 F HA 0.234 4.760 4.527 -0.000 0.000 0.358 48 F C 1.790 177.662 175.800 0.120 0.000 1.095 48 F CA -0.204 57.848 58.000 0.086 0.000 1.216 48 F CB 0.524 39.568 39.000 0.073 0.000 1.125 48 F HN -0.325 nan 8.300 nan 0.000 0.549 49 K N 0.456 121.020 120.400 0.273 0.000 2.424 49 K HA 0.171 4.491 4.320 -0.001 0.000 0.198 49 K C 0.378 177.084 176.600 0.177 0.000 1.190 49 K CA 0.636 57.036 56.287 0.187 0.000 0.935 49 K CB 0.578 33.147 32.500 0.115 0.000 1.087 49 K HN 0.772 nan 8.250 nan 0.000 0.524 50 T N -1.833 112.831 114.554 0.185 0.000 2.843 50 T HA 0.811 5.161 4.350 -0.001 0.000 0.302 50 T C -1.355 173.452 174.700 0.179 0.000 1.232 50 T CA -0.923 61.277 62.100 0.167 0.000 1.009 50 T CB 2.365 71.295 68.868 0.104 0.000 1.254 50 T HN 0.052 nan 8.240 nan 0.000 0.504 51 A N 0.798 123.708 122.820 0.151 0.000 2.515 51 A HA 0.819 5.138 4.320 -0.001 0.000 0.298 51 A C -1.277 176.265 177.584 -0.071 0.000 1.059 51 A CA -0.832 51.242 52.037 0.062 0.000 0.698 51 A CB 2.006 21.065 19.000 0.099 0.000 1.289 51 A HN 1.106 nan 8.150 nan 0.000 0.404 52 V N 2.324 122.185 119.914 -0.088 0.000 2.525 52 V HA 0.487 4.606 4.120 -0.001 0.000 0.299 52 V C -1.155 174.850 176.094 -0.148 0.000 1.034 52 V CA -0.132 62.094 62.300 -0.123 0.000 0.863 52 V CB 1.269 33.053 31.823 -0.064 0.000 0.999 52 V HN 0.691 nan 8.190 nan 0.000 0.423 53 I N 4.028 124.471 120.570 -0.212 0.000 2.418 53 I HA 0.499 4.669 4.170 -0.001 0.000 0.287 53 I C 0.561 176.583 176.117 -0.158 0.000 1.008 53 I CA -0.217 60.969 61.300 -0.189 0.000 1.104 53 I CB 2.319 40.166 38.000 -0.255 0.000 1.264 53 I HN 0.724 nan 8.210 nan 0.000 0.438 54 T N 3.316 117.803 114.554 -0.112 0.000 2.909 54 T HA 0.751 5.101 4.350 -0.001 0.000 0.289 54 T C -0.315 174.328 174.700 -0.095 0.000 1.005 54 T CA -0.621 61.425 62.100 -0.090 0.000 1.084 54 T CB 1.361 70.193 68.868 -0.060 0.000 0.975 54 T HN 0.252 nan 8.240 nan 0.000 0.509 55 V N 2.552 122.416 119.914 -0.083 0.000 2.531 55 V HA 0.369 4.489 4.120 -0.001 0.000 0.301 55 V C 0.221 176.304 176.094 -0.018 0.000 1.034 55 V CA -1.027 61.225 62.300 -0.079 0.000 0.865 55 V CB 1.478 33.221 31.823 -0.134 0.000 0.995 55 V HN 1.077 nan 8.190 nan 0.000 0.424 56 E N 3.675 123.883 120.200 0.013 0.000 2.415 56 E HA 0.044 4.394 4.350 -0.001 0.000 0.260 56 E C 0.619 177.259 176.600 0.066 0.000 1.016 56 E CA 0.592 57.013 56.400 0.035 0.000 0.924 56 E CB -0.151 29.575 29.700 0.043 0.000 0.961 56 E HN 0.751 nan 8.360 nan 0.000 0.459 57 N N 1.939 120.666 118.700 0.045 0.000 2.693 57 N HA -0.247 4.492 4.740 -0.001 0.000 0.249 57 N C -0.378 175.179 175.510 0.078 0.000 1.119 57 N CA 0.506 53.589 53.050 0.053 0.000 0.717 57 N CB -0.554 37.967 38.487 0.056 0.000 1.071 57 N HN 0.525 nan 8.380 nan 0.000 0.555 58 G N -0.251 108.587 108.800 0.064 0.000 2.798 58 G HA2 0.506 4.466 3.960 -0.001 0.000 0.286 58 G HA3 0.506 4.466 3.960 -0.001 0.000 0.286 58 G C -1.169 173.737 174.900 0.010 0.000 1.389 58 G CA -0.851 44.291 45.100 0.071 0.000 0.894 58 G HN 0.115 nan 8.290 nan 0.000 0.488 59 K N 0.484 120.880 120.400 -0.006 0.000 2.416 59 K HA 0.259 4.578 4.320 -0.001 0.000 0.283 59 K C 0.175 176.730 176.600 -0.076 0.000 1.037 59 K CA -0.019 56.248 56.287 -0.034 0.000 0.995 59 K CB 0.099 32.581 32.500 -0.029 0.000 0.938 59 K HN 0.359 nan 8.250 nan 0.000 0.475 60 T N 5.006 119.520 114.554 -0.067 0.000 2.908 60 T HA 0.052 4.402 4.350 -0.001 0.000 0.301 60 T C 0.465 175.095 174.700 -0.115 0.000 1.019 60 T CA 0.126 62.172 62.100 -0.090 0.000 1.152 60 T CB 0.095 68.923 68.868 -0.067 0.000 0.966 60 T HN 0.411 nan 8.240 nan 0.000 0.540 61 I N 3.903 124.372 120.570 -0.169 0.000 2.342 61 I HA 0.175 4.345 4.170 -0.001 0.000 0.291 61 I C 0.586 176.566 176.117 -0.228 0.000 1.010 61 I CA -0.319 60.855 61.300 -0.209 0.000 1.308 61 I CB 0.710 38.526 38.000 -0.307 0.000 1.400 61 I HN 0.369 nan 8.210 nan 0.000 0.488 62 Q N 7.066 126.792 119.800 -0.123 0.000 2.322 62 Q HA 0.464 4.803 4.340 -0.001 0.000 0.265 62 Q C -1.095 174.984 176.000 0.131 0.000 0.985 62 Q CA -0.342 55.428 55.803 -0.055 0.000 0.849 62 Q CB 2.487 31.220 28.738 -0.007 0.000 1.274 62 Q HN 0.557 nan 8.270 nan 0.000 0.449 63 F N 1.107 120.996 119.950 -0.103 0.000 2.332 63 F HA 0.401 4.927 4.527 -0.001 0.000 0.368 63 F C 1.096 176.867 175.800 -0.048 0.000 1.110 63 F CA -0.995 56.939 58.000 -0.110 0.000 1.087 63 F CB 1.480 40.380 39.000 -0.166 0.000 1.235 63 F HN 0.577 nan 8.300 nan 0.000 0.470 64 G N 2.182 111.059 108.800 0.129 0.000 2.563 64 G HA2 0.094 4.053 3.960 -0.001 0.000 0.283 64 G HA3 0.094 4.053 3.960 -0.001 0.000 0.283 64 G C 0.801 175.737 174.900 0.061 0.000 1.309 64 G CA -0.386 44.756 45.100 0.071 0.000 1.022 64 G HN 0.612 nan 8.290 nan 0.000 0.501 65 E N -0.048 120.179 120.200 0.044 0.000 2.077 65 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 65 E C 1.956 178.568 176.600 0.021 0.000 0.989 65 E CA 0.975 57.401 56.400 0.044 0.000 0.800 65 E CB -0.043 29.677 29.700 0.033 0.000 0.746 65 E HN 0.490 nan 8.360 nan 0.000 0.452 66 E N 0.756 120.952 120.200 -0.006 0.000 2.046 66 E HA -0.099 4.251 4.350 -0.001 0.000 0.190 66 E C 2.054 178.613 176.600 -0.068 0.000 0.982 66 E CA 0.735 57.117 56.400 -0.030 0.000 0.800 66 E CB -0.338 29.341 29.700 -0.036 0.000 0.756 66 E HN 0.159 nan 8.360 nan 0.000 0.449 67 M N 0.374 119.913 119.600 -0.103 0.000 2.108 67 M HA -0.173 4.306 4.480 -0.001 0.000 0.261 67 M C 2.217 178.338 176.300 -0.298 0.000 1.066 67 M CA 1.360 56.521 55.300 -0.232 0.000 1.107 67 M CB -0.286 32.161 32.600 -0.255 0.000 1.356 67 M HN 0.098 nan 8.290 nan 0.000 0.406 68 M N 0.093 119.624 119.600 -0.116 0.000 2.108 68 M HA -0.190 4.290 4.480 -0.001 0.000 0.261 68 M C 1.842 178.172 176.300 0.050 0.000 1.066 68 M CA 1.961 57.267 55.300 0.009 0.000 1.107 68 M CB -0.391 32.313 32.600 0.172 0.000 1.356 68 M HN 0.245 nan 8.290 nan 0.000 0.406 69 K N -0.798 119.630 120.400 0.046 0.000 2.032 69 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 69 K C 2.257 178.884 176.600 0.045 0.000 1.048 69 K CA 1.923 58.256 56.287 0.076 0.000 0.927 69 K CB -0.405 32.111 32.500 0.027 0.000 0.712 69 K HN 0.380 nan 8.250 nan 0.000 0.441 70 R N 0.673 121.143 120.500 -0.050 0.000 2.091 70 R HA -0.160 4.180 4.340 -0.001 0.000 0.238 70 R C 2.161 178.408 176.300 -0.088 0.000 1.136 70 R CA 1.584 57.634 56.100 -0.083 0.000 0.959 70 R CB -0.268 29.941 30.300 -0.153 0.000 0.856 70 R HN 0.221 nan 8.270 nan 0.000 0.437 71 A N 0.580 123.302 122.820 -0.164 0.000 2.019 71 A HA -0.063 4.257 4.320 -0.001 0.000 0.219 71 A C 1.949 179.598 177.584 0.107 0.000 1.164 71 A CA 0.995 52.955 52.037 -0.128 0.000 0.644 71 A CB -0.202 18.567 19.000 -0.384 0.000 0.805 71 A HN 0.370 nan 8.150 nan 0.000 0.449 72 L N -1.181 120.124 121.223 0.137 0.000 2.607 72 L HA 0.143 4.483 4.340 -0.001 0.000 0.228 72 L C 0.846 177.768 176.870 0.087 0.000 1.123 72 L CA -0.156 54.761 54.840 0.129 0.000 0.890 72 L CB 0.036 42.240 42.059 0.242 0.000 1.103 72 L HN 0.367 nan 8.230 nan 0.000 0.468 73 Q N -0.577 119.292 119.800 0.115 0.000 2.248 73 Q HA 0.283 4.623 4.340 -0.001 0.000 0.263 73 Q C -0.862 175.147 176.000 0.015 0.000 1.007 73 Q CA -0.676 55.186 55.803 0.099 0.000 0.877 73 Q CB 0.898 29.713 28.738 0.129 0.000 1.315 73 Q HN -0.009 nan 8.270 nan 0.000 0.454 74 Y N 0.599 120.968 120.300 0.116 0.000 2.861 74 Y HA 0.189 4.739 4.550 -0.001 0.000 0.344 74 Y C 0.785 176.518 175.900 -0.278 0.000 1.272 74 Y CA 1.124 59.217 58.100 -0.011 0.000 1.502 74 Y CB 0.338 38.844 38.460 0.076 0.000 1.333 74 Y HN 0.656 nan 8.280 nan 0.000 0.634 75 S N 0.847 116.226 115.700 -0.535 0.000 2.671 75 S HA 0.703 5.173 4.470 -0.001 0.000 0.277 75 S C -3.185 171.241 174.600 -0.290 0.000 1.165 75 S CA -1.953 56.024 58.200 -0.371 0.000 0.822 75 S CB 1.788 64.792 63.200 -0.327 0.000 1.150 75 S HN 0.229 nan 8.310 nan 0.000 0.479 76 P HA 0.318 nan 4.420 nan 0.000 0.268 76 P C 0.506 177.823 177.300 0.029 0.000 1.205 76 P CA -0.094 62.987 63.100 -0.033 0.000 0.771 76 P CB 0.430 32.120 31.700 -0.018 0.000 0.858 77 S N 2.364 118.102 115.700 0.063 0.000 2.374 77 S HA -0.209 4.261 4.470 -0.001 0.000 0.227 77 S C 1.844 176.496 174.600 0.087 0.000 1.037 77 S CA 1.757 60.019 58.200 0.103 0.000 1.024 77 S CB -0.739 62.503 63.200 0.070 0.000 0.861 77 S HN 0.644 nan 8.310 nan 0.000 0.456 78 A N 0.436 123.290 122.820 0.056 0.000 2.168 78 A HA 0.490 4.810 4.320 -0.001 0.000 0.215 78 A C 1.070 178.688 177.584 0.056 0.000 1.152 78 A CA 0.905 52.971 52.037 0.048 0.000 0.716 78 A CB -0.593 18.426 19.000 0.031 0.000 0.794 78 A HN 0.861 nan 8.150 nan 0.000 0.465 79 G N -0.990 107.846 108.800 0.059 0.000 2.406 79 G HA2 0.198 4.158 3.960 -0.001 0.000 0.680 79 G HA3 0.198 4.158 3.960 -0.001 0.000 0.680 79 G C -0.263 174.653 174.900 0.026 0.000 1.338 79 G CA -0.542 44.593 45.100 0.058 0.000 0.941 79 G HN 1.154 nan 8.290 nan 0.000 0.633 80 I N -0.613 119.966 120.570 0.016 0.000 2.634 80 I HA 0.462 4.631 4.170 -0.001 0.000 0.284 80 I C -1.135 174.983 176.117 0.003 0.000 1.124 80 I CA -1.788 59.505 61.300 -0.012 0.000 1.417 80 I CB 1.197 39.175 38.000 -0.036 0.000 1.396 80 I HN 0.260 nan 8.210 nan 0.000 0.571 81 P HA -0.196 nan 4.420 nan 0.000 0.218 81 P C 1.145 178.465 177.300 0.033 0.000 1.148 81 P CA 1.418 64.523 63.100 0.009 0.000 0.822 81 P CB -0.112 31.585 31.700 -0.005 0.000 0.784 82 E N -0.350 119.862 120.200 0.020 0.000 2.152 82 E HA -0.124 4.226 4.350 -0.001 0.000 0.192 82 E C 1.947 178.673 176.600 0.210 0.000 0.983 82 E CA 0.832 57.277 56.400 0.074 0.000 0.818 82 E CB -1.312 28.335 29.700 -0.088 0.000 0.758 82 E HN 0.194 nan 8.360 nan 0.000 0.467 83 L N 0.735 122.026 121.223 0.114 0.000 2.044 83 L HA -0.062 4.278 4.340 -0.001 0.000 0.205 83 L C 2.267 179.208 176.870 0.117 0.000 1.075 83 L CA 1.104 56.011 54.840 0.111 0.000 0.747 83 L CB -0.727 41.358 42.059 0.044 0.000 0.903 83 L HN 0.013 nan 8.230 nan 0.000 0.435 84 L N -0.247 121.020 121.223 0.074 0.000 1.990 84 L HA -0.256 4.084 4.340 -0.001 0.000 0.213 84 L C 2.887 179.790 176.870 0.056 0.000 1.072 84 L CA 2.273 57.141 54.840 0.047 0.000 0.755 84 L CB -1.566 40.513 42.059 0.033 0.000 0.889 84 L HN 0.570 nan 8.230 nan 0.000 0.432 85 S N -2.408 113.344 115.700 0.086 0.000 2.382 85 S HA -0.277 4.192 4.470 -0.001 0.000 0.228 85 S C 1.894 176.537 174.600 0.072 0.000 1.027 85 S CA 1.031 59.273 58.200 0.071 0.000 0.991 85 S CB -1.320 61.931 63.200 0.083 0.000 0.823 85 S HN 0.541 nan 8.310 nan 0.000 0.469 86 W N 2.217 123.489 121.300 -0.047 0.000 2.355 86 W HA 0.072 4.732 4.660 -0.001 0.000 0.309 86 W C 1.963 178.371 176.519 -0.185 0.000 1.206 86 W CA 1.201 58.459 57.345 -0.145 0.000 1.284 86 W CB -0.316 28.993 29.460 -0.252 0.000 1.145 86 W HN 0.221 nan 8.180 nan 0.000 0.502 87 L N 0.443 121.755 121.223 0.147 0.000 2.083 87 L HA -0.234 4.106 4.340 -0.001 0.000 0.209 87 L C 2.419 179.199 176.870 -0.150 0.000 1.083 87 L CA 1.501 56.283 54.840 -0.097 0.000 0.752 87 L CB -0.854 41.021 42.059 -0.306 0.000 0.899 87 L HN -0.043 nan 8.230 nan 0.000 0.433 88 K N -0.496 119.843 120.400 -0.102 0.000 2.057 88 K HA -0.216 4.104 4.320 -0.001 0.000 0.206 88 K C 2.209 178.724 176.600 -0.141 0.000 1.050 88 K CA 1.136 57.368 56.287 -0.091 0.000 0.935 88 K CB -0.082 32.381 32.500 -0.062 0.000 0.715 88 K HN 0.062 nan 8.250 nan 0.000 0.439 89 Q N 1.349 121.026 119.800 -0.205 0.000 2.124 89 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 89 Q C 1.915 177.710 176.000 -0.342 0.000 0.977 89 Q CA 1.176 56.818 55.803 -0.267 0.000 0.850 89 Q CB -0.324 28.227 28.738 -0.312 0.000 0.901 89 Q HN 0.217 nan 8.270 nan 0.000 0.429 90 L N 0.232 121.168 121.223 -0.477 0.000 1.990 90 L HA -0.251 4.089 4.340 -0.001 0.000 0.213 90 L C 2.053 178.822 176.870 -0.169 0.000 1.072 90 L CA 1.994 56.587 54.840 -0.412 0.000 0.755 90 L CB -0.640 41.144 42.059 -0.459 0.000 0.889 90 L HN 0.227 nan 8.230 nan 0.000 0.432 91 Q N -0.305 119.455 119.800 -0.067 0.000 2.084 91 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 91 Q C 2.399 178.386 176.000 -0.022 0.000 0.978 91 Q CA 2.142 57.983 55.803 0.063 0.000 0.844 91 Q CB -0.412 28.389 28.738 0.105 0.000 0.898 91 Q HN 0.639 nan 8.270 nan 0.000 0.426 92 I N 0.745 121.268 120.570 -0.079 0.000 2.179 92 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 92 I C 2.289 178.344 176.117 -0.105 0.000 1.088 92 I CA 1.270 62.516 61.300 -0.089 0.000 1.357 92 I CB -0.221 37.717 38.000 -0.103 0.000 1.051 92 I HN 0.169 nan 8.210 nan 0.000 0.409 93 K N 0.636 120.954 120.400 -0.136 0.000 2.026 93 K HA -0.125 4.195 4.320 -0.001 0.000 0.208 93 K C 2.068 178.583 176.600 -0.140 0.000 1.048 93 K CA 1.309 57.519 56.287 -0.128 0.000 0.929 93 K CB -0.137 32.276 32.500 -0.145 0.000 0.713 93 K HN 0.297 nan 8.250 nan 0.000 0.439 94 L N -0.324 120.758 121.223 -0.234 0.000 2.209 94 L HA -0.079 4.261 4.340 -0.001 0.000 0.207 94 L C 1.820 178.403 176.870 -0.478 0.000 1.094 94 L CA 0.824 55.432 54.840 -0.386 0.000 0.790 94 L CB -0.135 41.564 42.059 -0.600 0.000 0.932 94 L HN 0.327 nan 8.230 nan 0.000 0.447 95 H N -2.298 116.737 119.070 -0.059 0.000 3.241 95 H HA 0.121 4.677 4.556 -0.000 0.000 0.260 95 H C 0.238 175.511 175.328 -0.092 0.000 1.084 95 H CA -0.228 55.765 56.048 -0.091 0.000 1.203 95 H CB 0.143 29.826 29.762 -0.131 0.000 1.524 95 H HN 0.122 nan 8.280 nan 0.000 0.521 96 N N 2.275 120.969 118.700 -0.009 0.000 2.691 96 N HA -0.120 4.620 4.740 -0.001 0.000 0.277 96 N C -2.809 172.669 175.510 -0.053 0.000 1.029 96 N CA -0.090 52.936 53.050 -0.040 0.000 0.798 96 N CB -0.563 37.898 38.487 -0.042 0.000 0.922 96 N HN 0.201 nan 8.380 nan 0.000 0.562 97 P HA 0.175 nan 4.420 nan 0.000 0.276 97 P C -1.788 175.406 177.300 -0.177 0.000 1.230 97 P CA -1.331 61.701 63.100 -0.112 0.000 0.776 97 P CB 0.660 32.287 31.700 -0.121 0.000 0.888 98 P HA -0.186 nan 4.420 nan 0.000 0.218 98 P C 1.131 178.061 177.300 -0.617 0.000 1.146 98 P CA 1.744 64.690 63.100 -0.258 0.000 0.813 98 P CB -0.414 31.190 31.700 -0.161 0.000 0.778 99 T N -3.714 110.450 114.554 -0.651 0.000 3.100 99 T HA 0.029 4.379 4.350 -0.001 0.000 0.253 99 T C 1.677 176.074 174.700 -0.506 0.000 1.118 99 T CA 0.030 61.579 62.100 -0.919 0.000 1.058 99 T CB -1.220 67.381 68.868 -0.445 0.000 0.953 99 T HN 0.217 nan 8.240 nan 0.000 0.515 100 I N -0.246 120.087 120.570 -0.394 0.000 2.248 100 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 100 I C 1.561 177.407 176.117 -0.451 0.000 1.107 100 I CA 1.576 62.636 61.300 -0.400 0.000 1.373 100 I CB -0.873 36.859 38.000 -0.447 0.000 1.055 100 I HN 0.244 nan 8.210 nan 0.000 0.418 101 H N -0.872 118.167 119.070 -0.052 0.000 2.507 101 H HA 0.375 4.931 4.556 -0.000 0.000 0.294 101 H C -0.453 175.020 175.328 0.241 0.000 1.064 101 H CA -0.389 55.705 56.048 0.076 0.000 1.138 101 H CB -0.164 29.643 29.762 0.076 0.000 1.515 101 H HN 0.357 nan 8.280 nan 0.000 0.547 102 Y N 1.283 121.630 120.300 0.079 0.000 2.301 102 Y HA 0.174 4.723 4.550 -0.001 0.000 0.328 102 Y C -1.845 174.094 175.900 0.064 0.000 1.242 102 Y CA -2.864 55.279 58.100 0.071 0.000 1.323 102 Y CB 0.615 39.111 38.460 0.061 0.000 1.266 102 Y HN 0.085 nan 8.280 nan 0.000 0.527 103 P HA 0.000 nan 4.420 nan 0.000 0.270 103 P C -2.150 175.235 177.300 0.142 0.000 1.223 103 P CA -1.009 62.170 63.100 0.132 0.000 0.785 103 P CB 0.138 31.888 31.700 0.083 0.000 0.923 104 P HA -0.255 nan 4.420 nan 0.000 0.216 104 P C 1.603 178.986 177.300 0.139 0.000 1.157 104 P CA 2.203 65.362 63.100 0.099 0.000 0.880 104 P CB -0.434 31.307 31.700 0.069 0.000 0.791 105 S N -2.221 113.559 115.700 0.133 0.000 2.419 105 S HA -0.122 4.348 4.470 -0.001 0.000 0.233 105 S C 1.274 176.006 174.600 0.220 0.000 1.016 105 S CA 0.671 58.970 58.200 0.165 0.000 0.974 105 S CB -0.730 62.531 63.200 0.100 0.000 0.786 105 S HN 0.044 nan 8.310 nan 0.000 0.492 106 Q N 0.858 120.773 119.800 0.192 0.000 2.179 106 Q HA 0.489 4.829 4.340 -0.001 0.000 0.174 106 Q C 0.938 177.157 176.000 0.366 0.000 1.044 106 Q CA 0.234 56.166 55.803 0.214 0.000 1.105 106 Q CB -0.348 28.440 28.738 0.084 0.000 1.213 106 Q HN 0.365 nan 8.270 nan 0.000 0.574 107 G N 0.682 109.755 108.800 0.455 0.000 3.574 107 G HA2 0.029 3.988 3.960 -0.001 0.000 0.262 107 G HA3 0.029 3.988 3.960 -0.001 0.000 0.262 107 G C 0.207 175.196 174.900 0.148 0.000 1.231 107 G CA -0.204 45.093 45.100 0.328 0.000 1.608 107 G HN 0.418 nan 8.290 nan 0.000 0.628 108 Q N 0.780 120.671 119.800 0.151 0.000 2.398 108 Q HA -0.026 4.314 4.340 -0.001 0.000 0.329 108 Q C 0.701 176.683 176.000 -0.030 0.000 1.079 108 Q CA -0.071 55.766 55.803 0.056 0.000 1.041 108 Q CB 0.330 29.110 28.738 0.070 0.000 1.084 108 Q HN 0.415 nan 8.270 nan 0.000 0.386 109 M N 3.785 123.329 119.600 -0.094 0.000 2.260 109 M HA -0.052 4.428 4.480 -0.001 0.000 0.348 109 M C -0.670 175.587 176.300 -0.072 0.000 1.342 109 M CA 0.995 56.235 55.300 -0.099 0.000 1.040 109 M CB 0.331 32.853 32.600 -0.131 0.000 1.810 109 M HN 0.777 nan 8.290 nan 0.000 0.453 110 D N 3.597 123.959 120.400 -0.063 0.000 2.610 110 D HA 0.725 5.364 4.640 -0.001 0.000 0.271 110 D C -1.959 174.322 176.300 -0.031 0.000 1.174 110 D CA -0.423 53.552 54.000 -0.043 0.000 0.949 110 D CB 1.842 42.619 40.800 -0.038 0.000 1.430 110 D HN 0.664 nan 8.370 nan 0.000 0.467 111 L N 0.596 121.813 121.223 -0.009 0.000 2.506 111 L HA 0.672 5.012 4.340 -0.001 0.000 0.257 111 L C -1.507 175.380 176.870 0.029 0.000 0.964 111 L CA -0.449 54.404 54.840 0.021 0.000 0.836 111 L CB 1.531 43.612 42.059 0.036 0.000 1.384 111 L HN 0.828 nan 8.230 nan 0.000 0.410 112 C N 1.544 120.875 119.300 0.050 0.000 2.888 112 C HA 0.784 5.244 4.460 -0.001 0.000 0.308 112 C C -0.225 174.821 174.990 0.094 0.000 1.213 112 C CA -0.963 58.087 59.018 0.054 0.000 1.461 112 C CB 0.733 28.491 27.740 0.031 0.000 1.934 112 C HN 0.531 nan 8.230 nan 0.000 0.474 113 V N 3.171 123.143 119.914 0.096 0.000 2.686 113 V HA 0.583 4.702 4.120 -0.001 0.000 0.295 113 V C 1.001 177.157 176.094 0.102 0.000 1.055 113 V CA 0.694 63.072 62.300 0.130 0.000 1.050 113 V CB 1.250 33.146 31.823 0.121 0.000 0.984 113 V HN 1.167 nan 8.190 nan 0.000 0.482 114 T N 0.370 114.986 114.554 0.103 0.000 2.916 114 T HA 0.407 4.756 4.350 -0.001 0.000 0.292 114 T C -0.098 174.640 174.700 0.065 0.000 1.064 114 T CA -0.737 61.396 62.100 0.055 0.000 1.011 114 T CB 1.631 70.503 68.868 0.006 0.000 1.152 114 T HN 0.424 nan 8.240 nan 0.000 0.510 115 S N 1.662 117.383 115.700 0.036 0.000 3.900 115 S HA 0.556 5.026 4.470 -0.001 0.000 0.248 115 S C 0.952 175.572 174.600 0.032 0.000 1.310 115 S CA 0.073 58.295 58.200 0.036 0.000 0.915 115 S CB -1.115 62.091 63.200 0.011 0.000 1.588 115 S HN 1.490 nan 8.310 nan 0.000 0.472 116 G N 1.968 110.800 108.800 0.054 0.000 2.758 116 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.686 116 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.686 116 G C 0.697 175.595 174.900 -0.003 0.000 1.389 116 G CA -0.305 44.819 45.100 0.040 0.000 0.845 116 G HN 0.854 nan 8.290 nan 0.000 0.572 117 S N -0.484 115.192 115.700 -0.040 0.000 2.453 117 S HA -0.100 4.370 4.470 -0.001 0.000 0.231 117 S C 2.061 176.615 174.600 -0.078 0.000 1.005 117 S CA 1.819 59.960 58.200 -0.099 0.000 0.949 117 S CB -0.002 63.094 63.200 -0.173 0.000 0.774 117 S HN 1.115 nan 8.310 nan 0.000 0.510 118 Q N 1.354 121.139 119.800 -0.024 0.000 2.170 118 Q HA -0.100 4.240 4.340 -0.001 0.000 0.203 118 Q C 2.272 178.244 176.000 -0.046 0.000 0.976 118 Q CA 1.756 57.565 55.803 0.009 0.000 0.858 118 Q CB -0.468 28.318 28.738 0.080 0.000 0.907 118 Q HN 0.804 nan 8.270 nan 0.000 0.433 119 Q N -1.108 118.662 119.800 -0.050 0.000 2.050 119 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 119 Q C 1.859 177.787 176.000 -0.120 0.000 0.980 119 Q CA 1.483 57.240 55.803 -0.076 0.000 0.840 119 Q CB -0.462 28.241 28.738 -0.058 0.000 0.898 119 Q HN 0.563 nan 8.270 nan 0.000 0.424 120 G N 1.143 109.869 108.800 -0.122 0.000 2.491 120 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.218 120 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.218 120 G C 1.302 176.047 174.900 -0.258 0.000 1.180 120 G CA 0.787 45.792 45.100 -0.159 0.000 0.774 120 G HN 0.283 nan 8.290 nan 0.000 0.562 121 L N 0.347 121.378 121.223 -0.319 0.000 2.046 121 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 121 L C 3.020 179.388 176.870 -0.836 0.000 1.077 121 L CA 1.047 55.510 54.840 -0.629 0.000 0.747 121 L CB -1.247 40.536 42.059 -0.461 0.000 0.896 121 L HN 0.393 nan 8.230 nan 0.000 0.432 122 C N -0.189 118.879 119.300 -0.387 0.000 2.432 122 C HA -0.195 4.265 4.460 -0.001 0.000 0.277 122 C C 2.858 177.776 174.990 -0.121 0.000 1.249 122 C CA 0.867 59.784 59.018 -0.169 0.000 1.725 122 C CB -0.633 27.074 27.740 -0.054 0.000 2.028 122 C HN 0.465 nan 8.230 nan 0.000 0.477 123 K N -0.018 120.293 120.400 -0.148 0.000 2.097 123 K HA -0.086 4.233 4.320 -0.001 0.000 0.205 123 K C 1.883 178.465 176.600 -0.030 0.000 1.050 123 K CA 1.442 57.697 56.287 -0.053 0.000 0.938 123 K CB -0.235 32.211 32.500 -0.090 0.000 0.718 123 K HN 0.443 nan 8.250 nan 0.000 0.442 124 V N 1.299 121.111 119.914 -0.170 0.000 2.255 124 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 124 V C 2.006 178.089 176.094 -0.018 0.000 1.051 124 V CA 1.839 64.040 62.300 -0.166 0.000 1.018 124 V CB -0.623 31.003 31.823 -0.329 0.000 0.641 124 V HN 0.252 nan 8.190 nan 0.000 0.445 125 F N 0.243 120.161 119.950 -0.055 0.000 2.120 125 F HA -0.252 4.276 4.527 0.001 0.000 0.300 125 F C 2.587 178.439 175.800 0.087 0.000 1.095 125 F CA 1.701 59.718 58.000 0.027 0.000 1.249 125 F CB -0.311 38.707 39.000 0.030 0.000 0.995 125 F HN 0.201 nan 8.300 nan 0.000 0.480 126 E N 0.288 120.642 120.200 0.257 0.000 2.072 126 E HA -0.256 4.093 4.350 -0.001 0.000 0.191 126 E C 2.148 178.841 176.600 0.155 0.000 0.985 126 E CA 1.233 57.749 56.400 0.194 0.000 0.801 126 E CB -0.220 29.607 29.700 0.211 0.000 0.750 126 E HN 0.402 nan 8.360 nan 0.000 0.452 127 M N 0.349 120.034 119.600 0.143 0.000 2.202 127 M HA -0.187 4.293 4.480 -0.001 0.000 0.262 127 M C 1.604 177.989 176.300 0.142 0.000 1.063 127 M CA 1.645 57.012 55.300 0.112 0.000 1.097 127 M CB 0.082 32.733 32.600 0.085 0.000 1.382 127 M HN 0.097 nan 8.290 nan 0.000 0.413 128 I N -0.581 120.109 120.570 0.199 0.000 3.039 128 I HA 0.094 4.264 4.170 -0.001 0.000 0.270 128 I C 0.443 176.697 176.117 0.230 0.000 1.150 128 I CA 0.020 61.478 61.300 0.263 0.000 1.448 128 I CB 0.411 38.642 38.000 0.386 0.000 1.197 128 I HN 0.078 nan 8.210 nan 0.000 0.450 129 I N 2.459 123.157 120.570 0.214 0.000 2.325 129 I HA 0.110 4.280 4.170 -0.001 0.000 0.291 129 I C -0.380 175.781 176.117 0.073 0.000 1.019 129 I CA -0.196 61.187 61.300 0.138 0.000 1.302 129 I CB 0.272 38.350 38.000 0.130 0.000 1.401 129 I HN 0.157 nan 8.210 nan 0.000 0.485 130 N N 7.810 126.533 118.700 0.040 0.000 2.492 130 N HA 0.386 5.126 4.740 -0.001 0.000 0.289 130 N C -2.510 172.996 175.510 -0.008 0.000 1.133 130 N CA -1.670 51.388 53.050 0.014 0.000 0.961 130 N CB 1.062 39.553 38.487 0.006 0.000 1.186 130 N HN 0.185 nan 8.380 nan 0.000 0.493 131 P HA 0.090 nan 4.420 nan 0.000 0.264 131 P C 0.787 178.068 177.300 -0.031 0.000 1.193 131 P CA 0.675 63.756 63.100 -0.031 0.000 0.763 131 P CB 0.387 32.069 31.700 -0.029 0.000 0.810 132 G N 1.926 110.702 108.800 -0.040 0.000 2.213 132 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.236 132 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.236 132 G C 0.019 174.897 174.900 -0.037 0.000 0.991 132 G CA -0.340 44.741 45.100 -0.031 0.000 0.629 132 G HN 0.490 nan 8.290 nan 0.000 0.517 133 D N 1.460 121.828 120.400 -0.053 0.000 2.399 133 D HA 0.327 4.967 4.640 -0.001 0.000 0.241 133 D C 0.459 176.689 176.300 -0.118 0.000 1.133 133 D CA 0.128 54.079 54.000 -0.081 0.000 0.890 133 D CB 0.374 41.129 40.800 -0.076 0.000 1.201 133 D HN 0.280 nan 8.370 nan 0.000 0.432 134 N N 0.495 119.107 118.700 -0.146 0.000 2.438 134 N HA 0.362 5.101 4.740 -0.001 0.000 0.282 134 N C -0.450 174.862 175.510 -0.329 0.000 1.037 134 N CA -0.458 52.490 53.050 -0.170 0.000 0.942 134 N CB 1.916 40.365 38.487 -0.063 0.000 1.136 134 N HN 0.195 nan 8.380 nan 0.000 0.481 135 V N -0.406 119.275 119.914 -0.389 0.000 2.914 135 V HA 0.689 4.809 4.120 -0.001 0.000 0.314 135 V C -0.637 175.223 176.094 -0.389 0.000 1.084 135 V CA -0.978 60.940 62.300 -0.637 0.000 0.963 135 V CB 1.796 33.050 31.823 -0.948 0.000 1.025 135 V HN 0.389 nan 8.190 nan 0.000 0.432 136 L N 4.675 125.680 121.223 -0.363 0.000 2.346 136 L HA 0.865 5.205 4.340 -0.001 0.000 0.274 136 L C -0.460 176.382 176.870 -0.047 0.000 1.007 136 L CA -0.613 54.109 54.840 -0.198 0.000 0.818 136 L CB 1.719 43.611 42.059 -0.278 0.000 1.284 136 L HN 0.906 nan 8.230 nan 0.000 0.424 137 L N 0.406 121.633 121.223 0.007 0.000 2.710 137 L HA 0.570 4.910 4.340 -0.001 0.000 0.260 137 L C -2.071 174.843 176.870 0.074 0.000 0.993 137 L CA -0.889 54.016 54.840 0.108 0.000 0.877 137 L CB 2.669 44.840 42.059 0.187 0.000 1.461 137 L HN 0.621 nan 8.230 nan 0.000 0.413 138 D N 0.820 121.274 120.400 0.089 0.000 2.280 138 D HA 0.317 4.956 4.640 -0.001 0.000 0.243 138 D C -0.738 175.573 176.300 0.018 0.000 1.129 138 D CA -0.205 53.824 54.000 0.049 0.000 0.848 138 D CB 1.821 42.643 40.800 0.036 0.000 1.107 138 D HN 0.638 nan 8.370 nan 0.000 0.471 139 E N 2.152 122.351 120.200 -0.001 0.000 2.266 139 E HA 0.318 4.668 4.350 -0.001 0.000 0.277 139 E C -2.090 174.419 176.600 -0.152 0.000 1.018 139 E CA -1.869 54.472 56.400 -0.098 0.000 0.840 139 E CB 1.198 30.896 29.700 -0.004 0.000 1.082 139 E HN 0.382 nan 8.360 nan 0.000 0.395 140 P HA 0.188 nan 4.420 nan 0.000 0.275 140 P C -1.345 175.739 177.300 -0.359 0.000 1.227 140 P CA -0.236 62.467 63.100 -0.662 0.000 0.781 140 P CB 1.172 32.332 31.700 -0.901 0.000 0.906 141 A N 2.708 125.418 122.820 -0.184 0.000 2.479 141 A HA 0.462 4.782 4.320 -0.001 0.000 0.296 141 A C -1.172 176.525 177.584 0.188 0.000 1.121 141 A CA -0.782 51.270 52.037 0.025 0.000 0.743 141 A CB 0.667 19.718 19.000 0.086 0.000 1.323 141 A HN 0.504 nan 8.150 nan 0.000 0.415 142 Y N 1.970 122.353 120.300 0.138 0.000 2.805 142 Y HA 0.109 4.658 4.550 -0.001 0.000 0.331 142 Y C 1.705 177.705 175.900 0.167 0.000 1.241 142 Y CA 0.404 58.623 58.100 0.198 0.000 1.546 142 Y CB 0.566 39.155 38.460 0.215 0.000 1.248 142 Y HN 0.852 nan 8.280 nan 0.000 0.559 143 S N 3.405 119.075 115.700 -0.050 0.000 2.383 143 S HA -0.157 4.312 4.470 -0.001 0.000 0.229 143 S C 2.137 176.413 174.600 -0.539 0.000 1.030 143 S CA 1.054 59.071 58.200 -0.306 0.000 1.002 143 S CB -1.201 61.788 63.200 -0.352 0.000 0.829 143 S HN 0.928 nan 8.310 nan 0.000 0.467 144 G N 1.386 109.507 108.800 -1.131 0.000 2.450 144 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.220 144 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.220 144 G C 1.654 176.236 174.900 -0.530 0.000 1.130 144 G CA 1.623 46.170 45.100 -0.920 0.000 0.760 144 G HN 0.717 nan 8.290 nan 0.000 0.557 145 T N -0.259 113.988 114.554 -0.512 0.000 2.896 145 T HA 0.070 4.420 4.350 -0.001 0.000 0.263 145 T C 2.460 177.014 174.700 -0.242 0.000 1.050 145 T CA 0.873 62.864 62.100 -0.181 0.000 1.140 145 T CB -0.250 68.464 68.868 -0.256 0.000 0.877 145 T HN 0.193 nan 8.240 nan 0.000 0.457 146 L N 0.484 121.564 121.223 -0.238 0.000 2.042 146 L HA -0.110 4.230 4.340 -0.001 0.000 0.210 146 L C 3.306 180.106 176.870 -0.117 0.000 1.076 146 L CA 1.459 56.198 54.840 -0.168 0.000 0.749 146 L CB -0.679 41.299 42.059 -0.136 0.000 0.893 146 L HN 0.313 nan 8.230 nan 0.000 0.432 147 Q N -0.844 118.872 119.800 -0.139 0.000 2.167 147 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 147 Q C 2.461 178.449 176.000 -0.020 0.000 0.970 147 Q CA 1.550 57.303 55.803 -0.083 0.000 0.855 147 Q CB -0.167 28.502 28.738 -0.115 0.000 0.911 147 Q HN 0.383 nan 8.270 nan 0.000 0.438 148 S N 0.163 115.847 115.700 -0.026 0.000 2.387 148 S HA 0.006 4.476 4.470 -0.001 0.000 0.226 148 S C 1.927 176.533 174.600 0.011 0.000 1.026 148 S CA 0.458 58.687 58.200 0.048 0.000 0.972 148 S CB 0.059 63.360 63.200 0.167 0.000 0.814 148 S HN 0.267 nan 8.310 nan 0.000 0.477 149 L N 0.595 121.758 121.223 -0.099 0.000 2.209 149 L HA 0.009 4.348 4.340 -0.001 0.000 0.207 149 L C 2.607 179.434 176.870 -0.073 0.000 1.094 149 L CA 1.168 55.910 54.840 -0.164 0.000 0.790 149 L CB -0.718 41.163 42.059 -0.298 0.000 0.932 149 L HN 0.490 nan 8.230 nan 0.000 0.447 150 H N 1.679 120.690 119.070 -0.098 0.000 2.290 150 H HA -0.142 4.414 4.556 -0.001 0.000 0.298 150 H C -0.587 174.714 175.328 -0.044 0.000 1.087 150 H CA 1.894 57.901 56.048 -0.069 0.000 1.291 150 H CB -0.903 28.822 29.762 -0.061 0.000 1.369 150 H HN 0.193 nan 8.280 nan 0.000 0.492 151 P HA -0.026 nan 4.420 nan 0.000 0.230 151 P C 1.531 178.767 177.300 -0.108 0.000 1.158 151 P CA 0.710 63.735 63.100 -0.125 0.000 0.769 151 P CB -0.186 31.520 31.700 0.010 0.000 0.807 152 L N -2.095 119.079 121.223 -0.083 0.000 2.554 152 L HA 0.191 4.531 4.340 -0.001 0.000 0.226 152 L C 1.450 178.273 176.870 -0.078 0.000 1.137 152 L CA 0.669 55.479 54.840 -0.049 0.000 0.863 152 L CB -1.054 41.002 42.059 -0.005 0.000 0.985 152 L HN 0.101 nan 8.230 nan 0.000 0.451 153 G N 0.626 109.344 108.800 -0.136 0.000 2.176 153 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.252 153 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.252 153 G C 0.389 175.230 174.900 -0.099 0.000 1.024 153 G CA 0.158 45.179 45.100 -0.131 0.000 0.755 153 G HN 0.486 nan 8.290 nan 0.000 0.507 154 C N -0.728 118.509 119.300 -0.105 0.000 2.520 154 C HA 0.728 5.188 4.460 -0.001 0.000 0.376 154 C C 0.606 175.537 174.990 -0.099 0.000 1.268 154 C CA -1.758 57.197 59.018 -0.105 0.000 2.414 154 C CB 0.866 28.521 27.740 -0.140 0.000 2.521 154 C HN 0.450 nan 8.230 nan 0.000 0.618 155 N N 1.573 120.219 118.700 -0.089 0.000 2.408 155 N HA 0.340 5.079 4.740 -0.001 0.000 0.257 155 N C -0.604 174.847 175.510 -0.098 0.000 1.064 155 N CA 0.107 53.115 53.050 -0.070 0.000 0.952 155 N CB 0.877 39.342 38.487 -0.037 0.000 1.093 155 N HN 0.661 nan 8.380 nan 0.000 0.490 156 I N 3.761 124.281 120.570 -0.083 0.000 2.337 156 I HA 0.237 4.407 4.170 -0.001 0.000 0.291 156 I C 0.327 176.409 176.117 -0.057 0.000 1.046 156 I CA -0.402 60.842 61.300 -0.094 0.000 1.324 156 I CB 0.547 38.503 38.000 -0.074 0.000 1.409 156 I HN 0.237 nan 8.210 nan 0.000 0.494 157 I N 6.237 126.766 120.570 -0.069 0.000 2.321 157 I HA 0.179 4.348 4.170 -0.001 0.000 0.291 157 I C 0.172 176.273 176.117 -0.026 0.000 0.998 157 I CA -0.503 60.775 61.300 -0.037 0.000 1.227 157 I CB 1.094 39.077 38.000 -0.029 0.000 1.368 157 I HN 0.521 nan 8.210 nan 0.000 0.466 158 N N 6.019 124.720 118.700 0.002 0.000 2.488 158 N HA 0.304 5.043 4.740 -0.001 0.000 0.274 158 N C -1.035 174.488 175.510 0.021 0.000 1.111 158 N CA -0.149 52.914 53.050 0.023 0.000 0.974 158 N CB 1.079 39.598 38.487 0.054 0.000 1.089 158 N HN 0.291 nan 8.380 nan 0.000 0.465 159 V N 2.227 122.156 119.914 0.025 0.000 2.483 159 V HA 0.680 4.799 4.120 -0.001 0.000 0.295 159 V C 0.518 176.639 176.094 0.045 0.000 1.035 159 V CA -1.158 61.159 62.300 0.027 0.000 0.896 159 V CB 1.079 32.915 31.823 0.022 0.000 0.986 159 V HN 0.888 nan 8.190 nan 0.000 0.447 160 A N 3.885 126.735 122.820 0.049 0.000 2.386 160 A HA 0.722 5.042 4.320 -0.001 0.000 0.248 160 A C 0.449 178.068 177.584 0.058 0.000 1.082 160 A CA 0.229 52.302 52.037 0.061 0.000 0.789 160 A CB 0.325 19.361 19.000 0.061 0.000 1.025 160 A HN 1.270 nan 8.150 nan 0.000 0.490 161 S N 0.388 116.126 115.700 0.063 0.000 2.618 161 S HA 0.811 5.281 4.470 -0.001 0.000 0.277 161 S C -0.987 173.647 174.600 0.057 0.000 1.138 161 S CA -0.152 58.079 58.200 0.050 0.000 0.844 161 S CB 1.962 65.181 63.200 0.032 0.000 1.127 161 S HN 0.926 nan 8.310 nan 0.000 0.474 162 D N -0.084 120.335 120.400 0.031 0.000 3.225 162 D HA 0.326 4.966 4.640 -0.001 0.000 0.294 162 D C 0.161 176.421 176.300 -0.066 0.000 1.306 162 D CA -0.590 53.418 54.000 0.014 0.000 1.019 162 D CB -0.554 40.255 40.800 0.017 0.000 1.344 162 D HN 0.446 nan 8.370 nan 0.000 0.615 163 E N -0.505 119.583 120.200 -0.185 0.000 2.478 163 E HA 0.141 4.491 4.350 -0.001 0.000 0.198 163 E C 0.549 177.077 176.600 -0.120 0.000 1.046 163 E CA 0.635 56.856 56.400 -0.298 0.000 0.870 163 E CB -0.130 29.262 29.700 -0.514 0.000 0.818 163 E HN 0.204 nan 8.360 nan 0.000 0.527 164 S N -0.243 115.420 115.700 -0.062 0.000 2.663 164 S HA 0.492 4.961 4.470 -0.001 0.000 0.243 164 S C 0.612 175.209 174.600 -0.005 0.000 1.009 164 S CA -0.051 58.134 58.200 -0.025 0.000 0.988 164 S CB 0.700 63.893 63.200 -0.012 0.000 0.896 164 S HN 0.519 nan 8.310 nan 0.000 0.502 165 G N 2.022 110.818 108.800 -0.008 0.000 2.508 165 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.220 165 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.220 165 G C -0.381 174.538 174.900 0.031 0.000 1.287 165 G CA -0.795 44.312 45.100 0.011 0.000 0.916 165 G HN 0.337 nan 8.290 nan 0.000 0.574 166 I N 0.634 121.236 120.570 0.053 0.000 2.775 166 I HA 0.161 4.330 4.170 -0.001 0.000 0.290 166 I C 0.941 177.100 176.117 0.069 0.000 1.203 166 I CA 0.117 61.457 61.300 0.067 0.000 1.433 166 I CB 0.654 38.710 38.000 0.093 0.000 1.354 166 I HN 0.369 nan 8.210 nan 0.000 0.579 167 V N 9.164 129.116 119.914 0.064 0.000 2.368 167 V HA 0.110 4.230 4.120 -0.001 0.000 0.266 167 V C -1.477 174.661 176.094 0.073 0.000 1.045 167 V CA -1.132 61.206 62.300 0.063 0.000 0.899 167 V CB 0.925 32.781 31.823 0.055 0.000 1.006 167 V HN 0.674 nan 8.190 nan 0.000 0.470 168 P HA -0.152 nan 4.420 nan 0.000 0.216 168 P C 1.310 178.662 177.300 0.087 0.000 1.150 168 P CA 1.097 64.257 63.100 0.100 0.000 0.843 168 P CB 0.361 32.124 31.700 0.106 0.000 0.787 169 D N -1.224 119.219 120.400 0.072 0.000 2.144 169 D HA -0.146 4.493 4.640 -0.001 0.000 0.199 169 D C 2.133 178.465 176.300 0.052 0.000 0.984 169 D CA 1.378 55.415 54.000 0.062 0.000 0.834 169 D CB -0.623 40.208 40.800 0.053 0.000 0.955 169 D HN -0.031 nan 8.370 nan 0.000 0.465 170 S N -0.959 114.770 115.700 0.049 0.000 2.368 170 S HA -0.153 4.317 4.470 -0.001 0.000 0.225 170 S C 1.925 176.544 174.600 0.032 0.000 1.030 170 S CA 0.951 59.174 58.200 0.038 0.000 0.999 170 S CB -0.486 62.739 63.200 0.042 0.000 0.844 170 S HN 0.280 nan 8.310 nan 0.000 0.459 171 L N 2.124 123.375 121.223 0.047 0.000 2.012 171 L HA -0.009 4.330 4.340 -0.001 0.000 0.210 171 L C 2.521 179.411 176.870 0.034 0.000 1.073 171 L CA 1.841 56.708 54.840 0.045 0.000 0.748 171 L CB -0.893 41.221 42.059 0.091 0.000 0.891 171 L HN 0.279 nan 8.230 nan 0.000 0.431 172 R N -0.490 120.047 120.500 0.061 0.000 2.091 172 R HA -0.177 4.163 4.340 -0.001 0.000 0.238 172 R C 1.939 178.252 176.300 0.021 0.000 1.136 172 R CA 1.643 57.782 56.100 0.066 0.000 0.959 172 R CB -0.586 29.772 30.300 0.096 0.000 0.856 172 R HN 0.461 nan 8.270 nan 0.000 0.437 173 D N 0.565 120.974 120.400 0.015 0.000 2.097 173 D HA -0.134 4.506 4.640 -0.001 0.000 0.195 173 D C 1.923 178.194 176.300 -0.048 0.000 0.989 173 D CA 1.118 55.113 54.000 -0.008 0.000 0.827 173 D CB -0.232 40.566 40.800 -0.003 0.000 0.966 173 D HN 0.173 nan 8.370 nan 0.000 0.456 174 I N 0.500 121.043 120.570 -0.045 0.000 2.163 174 I HA -0.248 3.922 4.170 -0.001 0.000 0.243 174 I C 2.304 178.367 176.117 -0.090 0.000 1.085 174 I CA 0.846 62.107 61.300 -0.064 0.000 1.347 174 I CB -0.126 37.856 38.000 -0.029 0.000 1.044 174 I HN -0.032 nan 8.210 nan 0.000 0.408 175 L N 0.190 121.349 121.223 -0.106 0.000 2.291 175 L HA -0.136 4.203 4.340 -0.001 0.000 0.214 175 L C 2.635 179.395 176.870 -0.184 0.000 1.120 175 L CA 1.082 55.806 54.840 -0.194 0.000 0.799 175 L CB -0.642 40.972 42.059 -0.741 0.000 0.925 175 L HN 0.367 nan 8.230 nan 0.000 0.446 176 S N 0.923 116.553 115.700 -0.116 0.000 2.462 176 S HA -0.252 4.218 4.470 -0.001 0.000 0.243 176 S C 1.998 176.518 174.600 -0.133 0.000 1.003 176 S CA 1.160 59.347 58.200 -0.022 0.000 0.970 176 S CB -0.563 62.634 63.200 -0.006 0.000 0.762 176 S HN 0.620 nan 8.310 nan 0.000 0.510 177 R N -0.268 119.993 120.500 -0.399 0.000 2.285 177 R HA 0.054 4.394 4.340 -0.001 0.000 0.213 177 R C -0.222 175.686 176.300 -0.653 0.000 1.068 177 R CA 0.410 56.135 56.100 -0.625 0.000 1.004 177 R CB -0.350 29.422 30.300 -0.879 0.000 0.873 177 R HN 0.628 nan 8.270 nan 0.000 0.467 178 W N 1.145 122.471 121.300 0.044 0.000 2.762 178 W HA 0.512 5.173 4.660 0.001 0.000 0.355 178 W C -0.485 176.158 176.519 0.208 0.000 1.124 178 W CA -1.396 56.014 57.345 0.108 0.000 1.141 178 W CB 0.756 30.291 29.460 0.125 0.000 1.432 178 W HN -0.378 nan 8.180 nan 0.000 0.586 179 K N 0.994 121.640 120.400 0.410 0.000 2.118 179 K HA 0.230 4.550 4.320 -0.001 0.000 0.267 179 K C -1.832 174.915 176.600 0.246 0.000 0.991 179 K CA -1.430 55.025 56.287 0.281 0.000 0.916 179 K CB 1.354 33.943 32.500 0.148 0.000 1.041 179 K HN -0.030 nan 8.250 nan 0.000 0.455 180 P HA -0.220 nan 4.420 nan 0.000 0.216 180 P C 0.145 177.412 177.300 -0.056 0.000 1.154 180 P CA 1.462 64.428 63.100 -0.222 0.000 0.865 180 P CB 0.221 31.701 31.700 -0.367 0.000 0.789 181 E N -0.931 119.259 120.200 -0.017 0.000 2.409 181 E HA -0.136 4.214 4.350 -0.001 0.000 0.198 181 E C 1.354 177.968 176.600 0.022 0.000 1.024 181 E CA 0.756 57.155 56.400 -0.003 0.000 0.861 181 E CB -0.860 28.841 29.700 0.002 0.000 0.788 181 E HN 0.327 nan 8.360 nan 0.000 0.521 182 D N 0.481 120.923 120.400 0.070 0.000 2.269 182 D HA -0.045 4.595 4.640 -0.001 0.000 0.208 182 D C 1.838 178.140 176.300 0.003 0.000 0.963 182 D CA 1.026 55.068 54.000 0.070 0.000 0.864 182 D CB -0.190 40.711 40.800 0.168 0.000 0.936 182 D HN 0.244 nan 8.370 nan 0.000 0.505 183 A N 1.004 123.822 122.820 -0.004 0.000 1.892 183 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 183 A C 2.013 179.543 177.584 -0.089 0.000 1.188 183 A CA 1.639 53.648 52.037 -0.046 0.000 0.631 183 A CB -0.335 18.663 19.000 -0.003 0.000 0.822 183 A HN 0.138 nan 8.150 nan 0.000 0.447 184 K N -0.516 119.841 120.400 -0.071 0.000 2.404 184 K HA 0.069 4.389 4.320 -0.001 0.000 0.194 184 K C 0.385 176.939 176.600 -0.075 0.000 1.023 184 K CA -0.069 56.164 56.287 -0.090 0.000 1.094 184 K CB -0.078 32.377 32.500 -0.075 0.000 0.841 184 K HN 0.596 nan 8.250 nan 0.000 0.523 185 N N 2.163 120.831 118.700 -0.053 0.000 2.399 185 N HA 0.022 4.762 4.740 -0.001 0.000 0.259 185 N C -1.870 173.609 175.510 -0.051 0.000 1.160 185 N CA -1.397 51.631 53.050 -0.038 0.000 0.946 185 N CB 0.815 39.297 38.487 -0.009 0.000 1.156 185 N HN -0.080 nan 8.380 nan 0.000 0.489 186 P HA -0.106 nan 4.420 nan 0.000 0.242 186 P C 0.439 177.715 177.300 -0.040 0.000 1.197 186 P CA 0.742 63.804 63.100 -0.062 0.000 0.765 186 P CB 0.400 32.066 31.700 -0.057 0.000 0.936 187 Q N -0.201 119.586 119.800 -0.022 0.000 2.356 187 Q HA 0.077 4.417 4.340 -0.001 0.000 0.205 187 Q C 0.152 176.159 176.000 0.012 0.000 0.901 187 Q CA 0.509 56.310 55.803 -0.004 0.000 0.938 187 Q CB 0.484 29.224 28.738 0.003 0.000 1.081 187 Q HN 0.192 nan 8.270 nan 0.000 0.517 188 K N 0.886 121.291 120.400 0.008 0.000 2.182 188 K HA 0.221 4.540 4.320 -0.001 0.000 0.262 188 K C -0.503 176.087 176.600 -0.016 0.000 0.957 188 K CA -0.338 55.975 56.287 0.045 0.000 0.842 188 K CB 0.955 33.500 32.500 0.076 0.000 1.099 188 K HN 0.029 nan 8.250 nan 0.000 0.438 189 N N 2.300 121.017 118.700 0.028 0.000 3.250 189 N HA -0.002 4.738 4.740 -0.001 0.000 0.307 189 N C -0.513 174.749 175.510 -0.412 0.000 1.355 189 N CA -0.159 52.846 53.050 -0.074 0.000 1.192 189 N CB 0.355 38.878 38.487 0.061 0.000 1.478 189 N HN 0.508 nan 8.380 nan 0.000 0.543 190 T N -1.010 113.206 114.554 -0.564 0.000 2.898 190 T HA 0.261 4.611 4.350 -0.001 0.000 0.301 190 T C -2.475 171.812 174.700 -0.688 0.000 1.049 190 T CA -1.455 60.015 62.100 -1.049 0.000 1.095 190 T CB 1.006 69.511 68.868 -0.606 0.000 0.976 190 T HN 0.083 nan 8.240 nan 0.000 0.539 191 P HA 0.160 nan 4.420 nan 0.000 0.265 191 P C 0.677 177.878 177.300 -0.164 0.000 1.193 191 P CA -0.422 62.428 63.100 -0.415 0.000 0.765 191 P CB 0.531 31.933 31.700 -0.497 0.000 0.823 192 K N 2.426 122.756 120.400 -0.117 0.000 2.116 192 K HA 0.073 4.392 4.320 -0.001 0.000 0.203 192 K C 0.837 177.641 176.600 0.340 0.000 1.052 192 K CA 1.281 57.698 56.287 0.217 0.000 0.952 192 K CB -0.264 32.365 32.500 0.215 0.000 0.729 192 K HN 0.661 nan 8.250 nan 0.000 0.446 193 F N -2.161 117.811 119.950 0.037 0.000 2.741 193 F HA 0.460 4.987 4.527 0.000 0.000 0.311 193 F C -1.531 174.179 175.800 -0.149 0.000 1.149 193 F CA -1.765 56.247 58.000 0.019 0.000 0.930 193 F CB 0.703 39.748 39.000 0.074 0.000 1.312 193 F HN -0.275 nan 8.300 nan 0.000 0.450 194 L N 3.253 124.614 121.223 0.230 0.000 2.287 194 L HA 0.525 4.865 4.340 -0.001 0.000 0.287 194 L C -1.482 175.606 176.870 0.362 0.000 1.022 194 L CA -0.761 54.160 54.840 0.137 0.000 0.814 194 L CB 1.091 43.190 42.059 0.067 0.000 1.217 194 L HN 0.725 nan 8.230 nan 0.000 0.420 195 Y N 4.392 124.860 120.300 0.281 0.000 2.330 195 Y HA 0.677 5.226 4.550 -0.001 0.000 0.336 195 Y C -0.330 175.641 175.900 0.118 0.000 1.036 195 Y CA 0.030 58.259 58.100 0.215 0.000 1.125 195 Y CB 1.420 40.064 38.460 0.306 0.000 1.194 195 Y HN 0.756 nan 8.280 nan 0.000 0.469 196 T N 4.745 118.978 114.554 -0.534 0.000 2.853 196 T HA 0.496 4.845 4.350 -0.001 0.000 0.311 196 T C -2.014 172.367 174.700 -0.531 0.000 1.307 196 T CA -0.634 61.210 62.100 -0.428 0.000 1.019 196 T CB 1.041 69.870 68.868 -0.064 0.000 1.264 196 T HN 0.410 nan 8.240 nan 0.000 0.497 197 V N 5.432 125.171 119.914 -0.293 0.000 2.293 197 V HA 0.343 4.462 4.120 -0.001 0.000 0.275 197 V C -1.728 174.347 176.094 -0.032 0.000 1.021 197 V CA -1.465 60.749 62.300 -0.144 0.000 0.815 197 V CB 1.234 33.038 31.823 -0.033 0.000 1.025 197 V HN 0.722 nan 8.190 nan 0.000 0.448 198 P HA 0.061 nan 4.420 nan 0.000 0.231 198 P C 0.137 177.443 177.300 0.011 0.000 1.168 198 P CA 0.656 63.775 63.100 0.032 0.000 0.779 198 P CB 0.354 32.083 31.700 0.049 0.000 0.844 199 N N -0.098 118.618 118.700 0.026 0.000 2.410 199 N HA 0.331 5.070 4.740 -0.001 0.000 0.287 199 N C 0.154 175.684 175.510 0.033 0.000 1.044 199 N CA -0.268 52.790 53.050 0.014 0.000 0.881 199 N CB 1.613 40.108 38.487 0.014 0.000 1.405 199 N HN -0.041 nan 8.380 nan 0.000 0.490 200 G N 2.054 110.833 108.800 -0.035 0.000 2.386 200 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.295 200 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.295 200 G C 0.274 175.119 174.900 -0.092 0.000 0.979 200 G CA 0.216 45.252 45.100 -0.107 0.000 1.193 200 G HN 0.813 nan 8.290 nan 0.000 0.508 201 N N -0.144 118.532 118.700 -0.039 0.000 2.294 201 N HA -0.022 4.718 4.740 -0.001 0.000 0.248 201 N C 0.229 175.676 175.510 -0.105 0.000 1.242 201 N CA 0.033 53.059 53.050 -0.039 0.000 0.848 201 N CB 0.187 38.619 38.487 -0.092 0.000 1.084 201 N HN 0.387 nan 8.380 nan 0.000 0.457 202 N N 3.500 122.165 118.700 -0.058 0.000 2.426 202 N HA 0.253 4.993 4.740 -0.001 0.000 0.257 202 N C -2.083 173.147 175.510 -0.467 0.000 1.002 202 N CA -2.207 50.714 53.050 -0.215 0.000 0.942 202 N CB 1.454 39.968 38.487 0.044 0.000 1.112 202 N HN 0.417 nan 8.380 nan 0.000 0.499 203 P HA 0.085 nan 4.420 nan 0.000 0.259 203 P C 0.835 177.662 177.300 -0.789 0.000 1.233 203 P CA 0.424 62.823 63.100 -1.167 0.000 0.827 203 P CB 0.225 30.765 31.700 -1.932 0.000 1.154 204 T N -4.085 109.983 114.554 -0.809 0.000 2.995 204 T HA 0.122 4.472 4.350 -0.001 0.000 0.269 204 T C 1.789 176.468 174.700 -0.036 0.000 1.091 204 T CA 1.249 63.007 62.100 -0.569 0.000 1.128 204 T CB -1.405 67.172 68.868 -0.486 0.000 0.891 204 T HN 0.189 nan 8.240 nan 0.000 0.492 205 G N 1.554 110.341 108.800 -0.022 0.000 2.196 205 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.268 205 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.268 205 G C -0.029 174.914 174.900 0.073 0.000 0.975 205 G CA 0.297 45.449 45.100 0.087 0.000 0.648 205 G HN 0.738 nan 8.290 nan 0.000 0.538 206 N N 0.296 119.010 118.700 0.024 0.000 2.482 206 N HA 0.527 5.267 4.740 -0.001 0.000 0.260 206 N C -0.104 175.402 175.510 -0.007 0.000 1.236 206 N CA 0.446 53.503 53.050 0.012 0.000 0.938 206 N CB 0.812 39.287 38.487 -0.020 0.000 1.128 206 N HN 0.190 nan 8.380 nan 0.000 0.448 207 S N 0.710 116.408 115.700 -0.003 0.000 2.568 207 S HA 0.402 4.872 4.470 -0.001 0.000 0.293 207 S C -0.438 174.156 174.600 -0.011 0.000 1.089 207 S CA -0.748 57.446 58.200 -0.010 0.000 0.945 207 S CB 1.124 64.315 63.200 -0.014 0.000 1.077 207 S HN 0.283 nan 8.310 nan 0.000 0.485 208 L N 2.767 123.982 121.223 -0.014 0.000 2.380 208 L HA 0.316 4.656 4.340 -0.001 0.000 0.273 208 L C 1.072 177.917 176.870 -0.042 0.000 1.138 208 L CA -0.329 54.500 54.840 -0.019 0.000 0.832 208 L CB 0.894 42.940 42.059 -0.022 0.000 1.124 208 L HN 0.779 nan 8.230 nan 0.000 0.454 209 T N -1.256 113.278 114.554 -0.033 0.000 2.847 209 T HA 0.061 4.411 4.350 -0.001 0.000 0.279 209 T C 1.111 175.768 174.700 -0.071 0.000 0.984 209 T CA -0.368 61.708 62.100 -0.039 0.000 0.988 209 T CB 1.580 70.437 68.868 -0.018 0.000 1.040 209 T HN 0.556 nan 8.240 nan 0.000 0.528 210 S N -0.015 115.642 115.700 -0.072 0.000 2.382 210 S HA -0.134 4.336 4.470 -0.001 0.000 0.228 210 S C 1.776 176.333 174.600 -0.071 0.000 1.027 210 S CA 1.555 59.698 58.200 -0.095 0.000 0.991 210 S CB -0.696 62.458 63.200 -0.075 0.000 0.823 210 S HN 0.788 nan 8.310 nan 0.000 0.469 211 E N 0.914 121.093 120.200 -0.036 0.000 2.072 211 E HA 0.001 4.350 4.350 -0.001 0.000 0.191 211 E C 2.388 178.995 176.600 0.011 0.000 0.985 211 E CA 0.977 57.371 56.400 -0.009 0.000 0.801 211 E CB -0.140 29.561 29.700 0.002 0.000 0.750 211 E HN 0.454 nan 8.360 nan 0.000 0.452 212 R N 0.564 121.071 120.500 0.011 0.000 2.092 212 R HA -0.028 4.311 4.340 -0.001 0.000 0.231 212 R C 2.150 178.495 176.300 0.074 0.000 1.119 212 R CA 1.113 57.241 56.100 0.047 0.000 0.970 212 R CB -0.141 30.187 30.300 0.047 0.000 0.864 212 R HN 0.072 nan 8.270 nan 0.000 0.440 213 K N 0.891 121.279 120.400 -0.021 0.000 2.057 213 K HA -0.144 4.175 4.320 -0.001 0.000 0.207 213 K C 1.998 178.664 176.600 0.109 0.000 1.049 213 K CA 1.410 57.635 56.287 -0.105 0.000 0.931 213 K CB 0.009 32.181 32.500 -0.546 0.000 0.714 213 K HN 0.117 nan 8.250 nan 0.000 0.440 214 K N 0.924 121.354 120.400 0.049 0.000 2.032 214 K HA -0.181 4.138 4.320 -0.001 0.000 0.209 214 K C 2.053 178.758 176.600 0.175 0.000 1.048 214 K CA 1.579 57.929 56.287 0.104 0.000 0.927 214 K CB -0.056 32.467 32.500 0.038 0.000 0.712 214 K HN 0.225 nan 8.250 nan 0.000 0.441 215 E N 0.686 120.973 120.200 0.144 0.000 2.077 215 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 215 E C 2.106 178.821 176.600 0.192 0.000 0.989 215 E CA 1.001 57.490 56.400 0.147 0.000 0.800 215 E CB -0.132 29.638 29.700 0.117 0.000 0.746 215 E HN 0.261 nan 8.360 nan 0.000 0.452 216 I N 0.253 120.972 120.570 0.248 0.000 2.179 216 I HA -0.300 3.870 4.170 -0.001 0.000 0.242 216 I C 2.362 178.637 176.117 0.265 0.000 1.088 216 I CA 1.177 62.651 61.300 0.291 0.000 1.357 216 I CB -0.269 37.972 38.000 0.402 0.000 1.051 216 I HN 0.117 nan 8.210 nan 0.000 0.409 217 Y N 1.790 122.246 120.300 0.260 0.000 2.207 217 Y HA -0.293 4.257 4.550 -0.000 0.000 0.287 217 Y C 2.440 178.363 175.900 0.038 0.000 1.156 217 Y CA 1.820 60.005 58.100 0.143 0.000 1.182 217 Y CB -0.135 38.450 38.460 0.208 0.000 0.979 217 Y HN 0.216 nan 8.280 nan 0.000 0.521 218 E N -0.606 119.704 120.200 0.184 0.000 2.077 218 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 218 E C 1.994 178.601 176.600 0.011 0.000 0.989 218 E CA 1.155 57.611 56.400 0.093 0.000 0.800 218 E CB -0.233 29.539 29.700 0.119 0.000 0.746 218 E HN 0.326 nan 8.360 nan 0.000 0.452 219 L N 0.700 121.961 121.223 0.065 0.000 2.083 219 L HA -0.110 4.230 4.340 -0.001 0.000 0.209 219 L C 2.433 179.231 176.870 -0.120 0.000 1.083 219 L CA 1.658 56.578 54.840 0.133 0.000 0.752 219 L CB -1.502 40.717 42.059 0.265 0.000 0.899 219 L HN 0.083 nan 8.230 nan 0.000 0.433 220 A N -0.435 122.092 122.820 -0.488 0.000 1.933 220 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 220 A C 2.544 179.615 177.584 -0.856 0.000 1.175 220 A CA 1.704 52.942 52.037 -1.331 0.000 0.628 220 A CB -0.502 17.861 19.000 -1.062 0.000 0.814 220 A HN 0.397 nan 8.150 nan 0.000 0.444 221 R N -0.038 120.132 120.500 -0.550 0.000 2.066 221 R HA -0.131 4.208 4.340 -0.001 0.000 0.232 221 R C 2.275 178.439 176.300 -0.225 0.000 1.131 221 R CA 1.821 57.718 56.100 -0.339 0.000 0.955 221 R CB -0.325 29.848 30.300 -0.211 0.000 0.851 221 R HN 0.499 nan 8.270 nan 0.000 0.432 222 K N -0.467 119.824 120.400 -0.182 0.000 2.063 222 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 222 K C 0.859 177.250 176.600 -0.349 0.000 1.048 222 K CA 1.653 57.801 56.287 -0.231 0.000 0.928 222 K CB -0.061 32.320 32.500 -0.199 0.000 0.713 222 K HN 0.315 nan 8.250 nan 0.000 0.442 223 Y N 0.601 120.855 120.300 -0.076 0.000 2.524 223 Y HA 0.130 4.680 4.550 0.001 0.000 0.266 223 Y C -0.312 175.574 175.900 -0.023 0.000 1.180 223 Y CA -0.296 57.817 58.100 0.021 0.000 1.244 223 Y CB 0.494 39.083 38.460 0.215 0.000 1.125 223 Y HN 0.142 nan 8.280 nan 0.000 0.524 224 D N 1.288 121.638 120.400 -0.083 0.000 2.803 224 D HA -0.226 4.413 4.640 -0.001 0.000 0.233 224 D C -1.019 175.361 176.300 0.134 0.000 1.182 224 D CA 0.851 54.822 54.000 -0.048 0.000 0.726 224 D CB -1.208 39.599 40.800 0.012 0.000 0.987 224 D HN 0.350 nan 8.370 nan 0.000 0.412 225 F N -1.496 118.513 119.950 0.098 0.000 2.598 225 F HA 0.712 5.240 4.527 0.000 0.000 0.327 225 F C -0.456 175.317 175.800 -0.045 0.000 1.057 225 F CA -1.670 56.407 58.000 0.129 0.000 0.957 225 F CB 0.472 39.523 39.000 0.083 0.000 1.278 225 F HN -0.187 nan 8.300 nan 0.000 0.484 226 L N 2.331 123.638 121.223 0.140 0.000 2.436 226 L HA 0.394 4.734 4.340 -0.001 0.000 0.265 226 L C -0.050 176.918 176.870 0.162 0.000 1.168 226 L CA -0.662 54.151 54.840 -0.046 0.000 0.815 226 L CB 0.664 42.573 42.059 -0.249 0.000 1.109 226 L HN 0.594 nan 8.230 nan 0.000 0.462 227 I N 3.601 124.158 120.570 -0.022 0.000 2.362 227 I HA 0.302 4.471 4.170 -0.001 0.000 0.289 227 I C -0.360 175.679 176.117 -0.130 0.000 0.994 227 I CA -0.698 60.549 61.300 -0.089 0.000 1.158 227 I CB 1.748 39.542 38.000 -0.344 0.000 1.315 227 I HN 0.411 nan 8.210 nan 0.000 0.451 228 I N 5.987 126.502 120.570 -0.093 0.000 2.330 228 I HA 0.286 4.455 4.170 -0.001 0.000 0.286 228 I C -0.124 175.888 176.117 -0.174 0.000 1.025 228 I CA 0.139 61.361 61.300 -0.129 0.000 1.197 228 I CB 1.027 38.932 38.000 -0.159 0.000 1.358 228 I HN 0.563 nan 8.210 nan 0.000 0.467 229 E N 5.553 125.648 120.200 -0.174 0.000 1.963 229 E HA 0.131 4.480 4.350 -0.001 0.000 0.274 229 E C -1.047 175.440 176.600 -0.190 0.000 1.061 229 E CA -0.478 55.832 56.400 -0.150 0.000 0.847 229 E CB 0.395 30.066 29.700 -0.049 0.000 1.083 229 E HN 0.644 nan 8.360 nan 0.000 0.402 230 D N 3.850 124.101 120.400 -0.249 0.000 2.380 230 D HA 0.100 4.739 4.640 -0.001 0.000 0.230 230 D C -0.979 175.217 176.300 -0.174 0.000 1.154 230 D CA -0.302 53.586 54.000 -0.186 0.000 0.859 230 D CB 0.857 41.590 40.800 -0.112 0.000 1.045 230 D HN 0.250 nan 8.370 nan 0.000 0.495 231 D N 4.493 124.778 120.400 -0.191 0.000 2.861 231 D HA 0.196 4.836 4.640 -0.001 0.000 0.357 231 D C -1.806 174.379 176.300 -0.193 0.000 1.250 231 D CA -1.514 52.394 54.000 -0.154 0.000 0.802 231 D CB 1.122 41.824 40.800 -0.163 0.000 1.141 231 D HN 0.230 nan 8.370 nan 0.000 0.489 232 P HA -0.099 nan 4.420 nan 0.000 0.221 232 P C 0.636 177.643 177.300 -0.488 0.000 1.150 232 P CA 0.713 63.529 63.100 -0.473 0.000 0.800 232 P CB 0.025 31.281 31.700 -0.741 0.000 0.787 233 Y N -2.507 117.760 120.300 -0.056 0.000 2.495 233 Y HA 0.123 4.672 4.550 -0.001 0.000 0.293 233 Y C 2.173 178.018 175.900 -0.091 0.000 1.186 233 Y CA -0.818 57.225 58.100 -0.095 0.000 1.266 233 Y CB -1.351 37.016 38.460 -0.155 0.000 1.101 233 Y HN -0.091 nan 8.280 nan 0.000 0.517 234 Y N -0.162 120.073 120.300 -0.109 0.000 2.165 234 Y HA -0.260 4.290 4.550 -0.001 0.000 0.286 234 Y C 1.264 177.011 175.900 -0.255 0.000 1.155 234 Y CA 1.601 59.558 58.100 -0.239 0.000 1.164 234 Y CB -0.540 37.668 38.460 -0.420 0.000 0.978 234 Y HN 0.154 nan 8.280 nan 0.000 0.513 235 F N -1.036 118.916 119.950 0.004 0.000 2.811 235 F HA 0.074 4.601 4.527 -0.000 0.000 0.301 235 F C 0.681 176.411 175.800 -0.117 0.000 1.151 235 F CA -0.005 57.956 58.000 -0.064 0.000 1.412 235 F CB 0.088 39.175 39.000 0.144 0.000 1.113 235 F HN -0.023 nan 8.300 nan 0.000 0.579 236 L N 0.623 121.824 121.223 -0.038 0.000 2.978 236 L HA 0.209 4.549 4.340 -0.001 0.000 0.239 236 L C 0.059 176.657 176.870 -0.453 0.000 1.293 236 L CA 0.139 54.869 54.840 -0.183 0.000 1.085 236 L CB -0.627 41.304 42.059 -0.214 0.000 1.432 236 L HN 0.021 nan 8.230 nan 0.000 0.512 237 Q N -0.941 118.653 119.800 -0.344 0.000 2.314 237 Q HA 0.195 4.534 4.340 -0.001 0.000 0.257 237 Q C 0.662 176.524 176.000 -0.229 0.000 0.975 237 Q CA -0.077 55.511 55.803 -0.359 0.000 0.933 237 Q CB 0.746 29.335 28.738 -0.248 0.000 1.195 237 Q HN 0.338 nan 8.270 nan 0.000 0.426 238 F N 0.401 120.356 119.950 0.009 0.000 2.186 238 F HA -0.136 4.391 4.527 -0.001 0.000 0.299 238 F C 1.518 177.316 175.800 -0.003 0.000 1.090 238 F CA 0.072 58.079 58.000 0.011 0.000 1.307 238 F CB 0.165 39.174 39.000 0.015 0.000 1.019 238 F HN 0.509 nan 8.300 nan 0.000 0.489 239 N N 2.062 120.847 118.700 0.142 0.000 2.605 239 N HA -0.080 4.660 4.740 -0.001 0.000 0.282 239 N C 0.656 176.202 175.510 0.060 0.000 1.206 239 N CA 0.257 53.358 53.050 0.086 0.000 1.074 239 N CB 0.042 38.574 38.487 0.074 0.000 1.434 239 N HN 0.174 nan 8.380 nan 0.000 0.506 240 K N 2.226 122.645 120.400 0.033 0.000 2.678 240 K HA -0.045 4.275 4.320 -0.001 0.000 0.194 240 K C -0.376 176.245 176.600 0.035 0.000 1.031 240 K CA 0.514 56.801 56.287 -0.001 0.000 0.961 240 K CB -0.157 32.312 32.500 -0.051 0.000 0.793 240 K HN 0.419 nan 8.250 nan 0.000 0.492 241 F N 1.372 121.307 119.950 -0.025 0.000 2.375 241 F HA 0.296 4.823 4.527 -0.001 0.000 0.361 241 F C 0.122 175.888 175.800 -0.057 0.000 1.117 241 F CA -1.442 56.539 58.000 -0.032 0.000 1.037 241 F CB 1.047 40.036 39.000 -0.017 0.000 1.192 241 F HN -0.209 nan 8.300 nan 0.000 0.452 242 R N 3.038 123.615 120.500 0.129 0.000 2.389 242 R HA 0.231 4.571 4.340 -0.001 0.000 0.295 242 R C -0.361 175.919 176.300 -0.032 0.000 1.075 242 R CA -0.511 55.564 56.100 -0.041 0.000 1.005 242 R CB 1.697 31.889 30.300 -0.180 0.000 0.987 242 R HN 0.448 nan 8.270 nan 0.000 0.452 243 V N 5.264 125.160 119.914 -0.029 0.000 2.655 243 V HA 0.134 4.254 4.120 -0.001 0.000 0.300 243 V C -1.993 174.096 176.094 -0.008 0.000 1.044 243 V CA -1.625 60.653 62.300 -0.037 0.000 1.095 243 V CB 0.622 32.413 31.823 -0.053 0.000 0.952 243 V HN 0.625 nan 8.190 nan 0.000 0.485 244 P HA 0.127 nan 4.420 nan 0.000 0.264 244 P C -0.236 177.004 177.300 -0.099 0.000 1.179 244 P CA 0.357 63.429 63.100 -0.048 0.000 0.763 244 P CB 0.139 31.783 31.700 -0.095 0.000 0.806 245 T N -0.786 113.722 114.554 -0.076 0.000 2.847 245 T HA 0.293 4.643 4.350 -0.001 0.000 0.279 245 T C 1.000 175.570 174.700 -0.216 0.000 0.984 245 T CA -0.384 61.603 62.100 -0.187 0.000 0.988 245 T CB 0.214 68.899 68.868 -0.304 0.000 1.040 245 T HN 0.130 nan 8.240 nan 0.000 0.528 246 F N -0.058 119.822 119.950 -0.117 0.000 2.161 246 F HA -0.035 4.491 4.527 -0.001 0.000 0.300 246 F C 2.272 177.992 175.800 -0.133 0.000 1.089 246 F CA 0.774 58.727 58.000 -0.079 0.000 1.282 246 F CB -0.456 38.540 39.000 -0.006 0.000 1.010 246 F HN 0.399 nan 8.300 nan 0.000 0.485 247 L N 0.564 121.776 121.223 -0.018 0.000 2.042 247 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 247 L C 2.597 179.397 176.870 -0.116 0.000 1.076 247 L CA 2.209 56.977 54.840 -0.120 0.000 0.749 247 L CB -1.119 40.764 42.059 -0.293 0.000 0.893 247 L HN 0.195 nan 8.230 nan 0.000 0.432 248 S N -0.718 114.913 115.700 -0.116 0.000 2.474 248 S HA -0.188 4.282 4.470 -0.001 0.000 0.235 248 S C 1.560 176.086 174.600 -0.123 0.000 0.997 248 S CA 1.168 59.324 58.200 -0.073 0.000 0.949 248 S CB -0.688 62.499 63.200 -0.023 0.000 0.766 248 S HN 0.680 nan 8.310 nan 0.000 0.517 249 M N -0.246 119.243 119.600 -0.184 0.000 2.405 249 M HA 0.433 4.913 4.480 -0.001 0.000 0.292 249 M C -0.088 175.922 176.300 -0.483 0.000 1.111 249 M CA -0.217 54.898 55.300 -0.309 0.000 0.979 249 M CB -0.128 32.261 32.600 -0.351 0.000 1.426 249 M HN -0.108 nan 8.290 nan 0.000 0.509 250 D N 2.154 122.404 120.400 -0.251 0.000 2.767 250 D HA 0.129 4.769 4.640 -0.001 0.000 0.231 250 D C 1.128 177.448 176.300 0.034 0.000 1.105 250 D CA 0.007 53.958 54.000 -0.082 0.000 1.024 250 D CB 0.278 41.103 40.800 0.042 0.000 1.123 250 D HN 0.116 nan 8.370 nan 0.000 0.470 251 V N 1.142 121.075 119.914 0.032 0.000 2.469 251 V HA -0.206 3.913 4.120 -0.001 0.000 0.251 251 V C 1.489 177.788 176.094 0.341 0.000 1.064 251 V CA 1.581 63.994 62.300 0.188 0.000 1.066 251 V CB -0.186 31.724 31.823 0.146 0.000 0.667 251 V HN 0.381 nan 8.190 nan 0.000 0.461 252 D N -0.091 120.527 120.400 0.364 0.000 2.349 252 D HA 0.161 4.801 4.640 -0.001 0.000 0.215 252 D C 1.678 178.145 176.300 0.277 0.000 1.016 252 D CA 0.983 55.149 54.000 0.277 0.000 0.870 252 D CB 0.102 41.002 40.800 0.166 0.000 0.917 252 D HN 0.503 nan 8.370 nan 0.000 0.524 253 G N 2.387 111.358 108.800 0.285 0.000 2.295 253 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.287 253 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.287 253 G C 0.794 175.832 174.900 0.230 0.000 1.055 253 G CA 0.545 45.793 45.100 0.248 0.000 0.922 253 G HN 0.519 nan 8.290 nan 0.000 0.503 254 R N -1.653 118.934 120.500 0.145 0.000 2.437 254 R HA 0.480 4.820 4.340 -0.001 0.000 0.257 254 R C 0.115 176.395 176.300 -0.032 0.000 0.927 254 R CA -0.148 55.969 56.100 0.029 0.000 1.078 254 R CB 0.637 30.880 30.300 -0.095 0.000 1.161 254 R HN 0.294 nan 8.270 nan 0.000 0.529 255 V N 2.428 122.347 119.914 0.009 0.000 2.398 255 V HA 0.408 4.528 4.120 -0.001 0.000 0.286 255 V C -0.185 175.854 176.094 -0.092 0.000 1.026 255 V CA -0.718 61.560 62.300 -0.036 0.000 0.868 255 V CB 1.704 33.546 31.823 0.032 0.000 0.982 255 V HN 0.170 nan 8.190 nan 0.000 0.443 256 I N 5.267 125.757 120.570 -0.133 0.000 2.378 256 I HA 0.563 4.732 4.170 -0.001 0.000 0.291 256 I C 0.089 176.107 176.117 -0.166 0.000 0.992 256 I CA -0.393 60.812 61.300 -0.158 0.000 1.154 256 I CB 1.431 39.319 38.000 -0.187 0.000 1.315 256 I HN 0.528 nan 8.210 nan 0.000 0.448 257 R N 5.206 125.601 120.500 -0.175 0.000 2.494 257 R HA 0.810 5.150 4.340 -0.001 0.000 0.305 257 R C -1.137 175.020 176.300 -0.239 0.000 0.959 257 R CA -0.558 55.415 56.100 -0.211 0.000 0.864 257 R CB 1.698 31.849 30.300 -0.248 0.000 1.159 257 R HN 0.751 nan 8.270 nan 0.000 0.446 258 A N 4.182 126.846 122.820 -0.260 0.000 2.288 258 A HA 0.387 4.706 4.320 -0.001 0.000 0.320 258 A C -0.971 176.366 177.584 -0.411 0.000 1.217 258 A CA -0.635 51.219 52.037 -0.304 0.000 0.840 258 A CB 0.890 19.751 19.000 -0.232 0.000 1.179 258 A HN 0.795 nan 8.150 nan 0.000 0.504 259 D N 0.561 120.570 120.400 -0.653 0.000 2.350 259 D HA 0.599 5.239 4.640 -0.001 0.000 0.238 259 D C -0.869 174.978 176.300 -0.756 0.000 0.989 259 D CA 0.023 53.531 54.000 -0.821 0.000 0.921 259 D CB 2.225 42.124 40.800 -1.503 0.000 1.297 259 D HN 0.449 nan 8.370 nan 0.000 0.490 260 S N 0.642 116.069 115.700 -0.456 0.000 2.538 260 S HA 0.360 4.830 4.470 -0.001 0.000 0.288 260 S C -0.281 174.316 174.600 -0.006 0.000 1.108 260 S CA -0.550 57.513 58.200 -0.229 0.000 0.971 260 S CB 0.578 63.676 63.200 -0.170 0.000 1.041 260 S HN 0.264 nan 8.310 nan 0.000 0.483 261 F N 2.325 122.394 119.950 0.199 0.000 2.765 261 F HA 0.225 4.752 4.527 -0.000 0.000 0.302 261 F C 2.381 178.271 175.800 0.149 0.000 1.111 261 F CA 0.078 58.218 58.000 0.234 0.000 1.359 261 F CB -0.364 38.773 39.000 0.229 0.000 1.097 261 F HN 0.523 nan 8.300 nan 0.000 0.577 262 S N -0.008 115.836 115.700 0.241 0.000 2.400 262 S HA -0.159 4.311 4.470 -0.001 0.000 0.232 262 S C 2.015 176.707 174.600 0.152 0.000 1.025 262 S CA 1.197 59.491 58.200 0.157 0.000 0.993 262 S CB -0.074 63.169 63.200 0.072 0.000 0.808 262 S HN 0.249 nan 8.310 nan 0.000 0.478 263 K N 1.129 121.616 120.400 0.145 0.000 2.323 263 K HA 0.259 4.578 4.320 -0.001 0.000 0.197 263 K C 1.808 178.541 176.600 0.222 0.000 1.043 263 K CA 0.476 56.847 56.287 0.140 0.000 0.997 263 K CB -0.213 32.317 32.500 0.050 0.000 0.807 263 K HN 0.626 nan 8.250 nan 0.000 0.497 264 I N -3.975 116.765 120.570 0.285 0.000 4.032 264 I HA 0.237 4.407 4.170 -0.001 0.000 0.313 264 I C 1.587 177.945 176.117 0.402 0.000 1.272 264 I CA 0.136 61.647 61.300 0.353 0.000 1.307 264 I CB 0.241 38.446 38.000 0.342 0.000 1.155 264 I HN -0.174 nan 8.210 nan 0.000 0.431 265 I N -0.293 120.446 120.570 0.282 0.000 3.739 265 I HA 0.234 4.404 4.170 -0.001 0.000 0.272 265 I C 0.484 176.652 176.117 0.085 0.000 1.167 265 I CA 0.190 61.561 61.300 0.118 0.000 1.386 265 I CB 0.977 38.931 38.000 -0.076 0.000 1.490 265 I HN 0.196 nan 8.210 nan 0.000 0.452 266 S N -0.360 115.414 115.700 0.123 0.000 2.596 266 S HA 0.150 4.620 4.470 -0.001 0.000 0.305 266 S C 0.469 175.141 174.600 0.120 0.000 1.086 266 S CA -0.092 58.166 58.200 0.097 0.000 0.909 266 S CB 1.004 64.231 63.200 0.043 0.000 1.106 266 S HN 0.271 nan 8.310 nan 0.000 0.450 267 S N 3.476 119.241 115.700 0.110 0.000 2.387 267 S HA 0.090 4.560 4.470 -0.001 0.000 0.226 267 S C 2.003 176.651 174.600 0.081 0.000 1.026 267 S CA 1.026 59.287 58.200 0.101 0.000 0.972 267 S CB -0.869 62.391 63.200 0.101 0.000 0.814 267 S HN 1.093 nan 8.310 nan 0.000 0.477 268 G N 1.629 110.468 108.800 0.065 0.000 2.484 268 G HA2 0.086 4.046 3.960 -0.001 0.000 0.218 268 G HA3 0.086 4.046 3.960 -0.001 0.000 0.218 268 G C 1.306 176.230 174.900 0.039 0.000 1.130 268 G CA 0.341 45.468 45.100 0.046 0.000 0.784 268 G HN 0.497 nan 8.290 nan 0.000 0.543 269 L N -0.710 120.542 121.223 0.050 0.000 2.465 269 L HA 0.111 4.451 4.340 -0.001 0.000 0.224 269 L C 0.752 177.665 176.870 0.071 0.000 1.145 269 L CA -0.199 54.673 54.840 0.053 0.000 0.834 269 L CB -0.130 41.962 42.059 0.054 0.000 0.944 269 L HN 0.061 nan 8.230 nan 0.000 0.451 270 R N 1.036 121.585 120.500 0.081 0.000 3.152 270 R HA -0.133 4.206 4.340 -0.001 0.000 0.252 270 R C -1.021 175.345 176.300 0.109 0.000 0.930 270 R CA 0.588 56.737 56.100 0.080 0.000 0.642 270 R CB -2.313 28.017 30.300 0.051 0.000 1.205 270 R HN 0.176 nan 8.270 nan 0.000 0.452 271 I N -0.307 120.361 120.570 0.163 0.000 2.500 271 I HA 0.567 4.737 4.170 -0.001 0.000 0.286 271 I C 1.061 177.349 176.117 0.284 0.000 1.063 271 I CA -0.366 61.073 61.300 0.233 0.000 1.062 271 I CB 1.894 40.072 38.000 0.296 0.000 1.223 271 I HN 0.344 nan 8.210 nan 0.000 0.435 272 G N 5.505 114.425 108.800 0.199 0.000 2.949 272 G HA2 0.866 4.825 3.960 -0.001 0.000 0.285 272 G HA3 0.866 4.825 3.960 -0.001 0.000 0.285 272 G C -1.634 173.400 174.900 0.223 0.000 1.395 272 G CA -0.498 44.673 45.100 0.119 0.000 0.901 272 G HN 0.384 nan 8.290 nan 0.000 0.519 273 F N -1.777 118.098 119.950 -0.125 0.000 2.601 273 F HA 0.817 5.344 4.527 0.000 0.000 0.309 273 F C -1.517 174.219 175.800 -0.106 0.000 1.089 273 F CA -1.753 56.189 58.000 -0.097 0.000 0.940 273 F CB 1.845 40.791 39.000 -0.090 0.000 1.273 273 F HN 0.459 nan 8.300 nan 0.000 0.450 274 L N 2.041 123.289 121.223 0.042 0.000 2.341 274 L HA 0.830 5.170 4.340 -0.001 0.000 0.278 274 L C -0.741 176.120 176.870 -0.014 0.000 1.005 274 L CA 0.009 54.810 54.840 -0.065 0.000 0.818 274 L CB 2.119 44.133 42.059 -0.075 0.000 1.259 274 L HN 0.884 nan 8.230 nan 0.000 0.418 275 T N 3.411 117.926 114.554 -0.064 0.000 2.848 275 T HA 0.926 5.275 4.350 -0.001 0.000 0.285 275 T C -0.183 174.458 174.700 -0.098 0.000 0.995 275 T CA -0.206 61.865 62.100 -0.048 0.000 0.970 275 T CB 1.648 70.498 68.868 -0.031 0.000 0.976 275 T HN 0.980 nan 8.240 nan 0.000 0.441 276 G N 2.835 111.577 108.800 -0.097 0.000 2.335 276 G HA2 0.487 4.446 3.960 -0.001 0.000 0.291 276 G HA3 0.487 4.446 3.960 -0.001 0.000 0.291 276 G C -3.381 171.439 174.900 -0.133 0.000 1.261 276 G CA -0.887 44.140 45.100 -0.122 0.000 0.871 276 G HN 0.482 nan 8.290 nan 0.000 0.491 277 P HA 0.183 nan 4.420 nan 0.000 0.264 277 P C 0.703 177.871 177.300 -0.219 0.000 1.193 277 P CA 0.056 63.019 63.100 -0.228 0.000 0.763 277 P CB 1.217 32.593 31.700 -0.540 0.000 0.810 278 K N 5.500 125.827 120.400 -0.122 0.000 2.059 278 K HA -0.185 4.134 4.320 -0.001 0.000 0.212 278 K C -0.890 175.654 176.600 -0.093 0.000 1.050 278 K CA 2.196 58.435 56.287 -0.080 0.000 0.927 278 K CB -1.352 31.135 32.500 -0.023 0.000 0.714 278 K HN 0.386 nan 8.250 nan 0.000 0.447 279 P HA -0.147 nan 4.420 nan 0.000 0.218 279 P C 0.945 178.173 177.300 -0.120 0.000 1.149 279 P CA 0.890 63.943 63.100 -0.078 0.000 0.817 279 P CB 0.140 31.837 31.700 -0.005 0.000 0.785 280 L N -1.233 119.847 121.223 -0.240 0.000 2.127 280 L HA -0.047 4.293 4.340 -0.001 0.000 0.203 280 L C 2.252 179.055 176.870 -0.111 0.000 1.080 280 L CA 1.376 56.108 54.840 -0.179 0.000 0.768 280 L CB -1.523 40.371 42.059 -0.274 0.000 0.924 280 L HN -0.072 nan 8.230 nan 0.000 0.444 281 I N 0.164 120.663 120.570 -0.119 0.000 2.194 281 I HA -0.313 3.857 4.170 -0.001 0.000 0.246 281 I C 2.538 178.632 176.117 -0.038 0.000 1.093 281 I CA 1.435 62.692 61.300 -0.072 0.000 1.355 281 I CB -1.098 36.862 38.000 -0.067 0.000 1.046 281 I HN 0.521 nan 8.210 nan 0.000 0.413 282 E N 1.106 121.286 120.200 -0.034 0.000 2.118 282 E HA -0.258 4.091 4.350 -0.001 0.000 0.195 282 E C 2.176 178.779 176.600 0.005 0.000 0.992 282 E CA 1.201 57.596 56.400 -0.009 0.000 0.804 282 E CB 0.060 29.758 29.700 -0.004 0.000 0.741 282 E HN 0.280 nan 8.360 nan 0.000 0.458 283 R N 0.481 120.982 120.500 0.001 0.000 2.092 283 R HA -0.043 4.296 4.340 -0.001 0.000 0.231 283 R C 2.497 178.822 176.300 0.043 0.000 1.119 283 R CA 0.928 57.041 56.100 0.020 0.000 0.970 283 R CB -1.273 29.039 30.300 0.021 0.000 0.864 283 R HN 0.176 nan 8.270 nan 0.000 0.440 284 V N 1.310 121.239 119.914 0.025 0.000 2.307 284 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 284 V C 2.349 178.471 176.094 0.047 0.000 1.045 284 V CA 1.548 63.869 62.300 0.036 0.000 1.024 284 V CB -0.438 31.375 31.823 -0.017 0.000 0.651 284 V HN 0.144 nan 8.190 nan 0.000 0.449 285 I N -0.299 120.289 120.570 0.029 0.000 2.208 285 I HA -0.281 3.888 4.170 -0.001 0.000 0.245 285 I C 2.331 178.480 176.117 0.054 0.000 1.097 285 I CA 1.631 62.951 61.300 0.035 0.000 1.363 285 I CB -0.374 37.641 38.000 0.024 0.000 1.051 285 I HN 0.256 nan 8.210 nan 0.000 0.413 286 L N -0.441 120.815 121.223 0.056 0.000 2.083 286 L HA -0.274 4.066 4.340 -0.001 0.000 0.209 286 L C 2.640 179.577 176.870 0.112 0.000 1.083 286 L CA 1.590 56.467 54.840 0.061 0.000 0.752 286 L CB -0.874 41.208 42.059 0.039 0.000 0.899 286 L HN 0.391 nan 8.230 nan 0.000 0.433 287 H N 0.273 119.346 119.070 0.004 0.000 2.363 287 H HA -0.181 4.375 4.556 -0.001 0.000 0.301 287 H C 2.390 177.721 175.328 0.006 0.000 1.074 287 H CA 1.469 57.520 56.048 0.005 0.000 1.354 287 H CB 0.231 29.994 29.762 0.002 0.000 1.397 287 H HN 0.360 nan 8.280 nan 0.000 0.516 288 I N 0.264 120.874 120.570 0.067 0.000 2.264 288 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 288 I C 2.057 178.198 176.117 0.039 0.000 1.111 288 I CA 1.456 62.756 61.300 0.000 0.000 1.382 288 I CB -0.445 37.549 38.000 -0.011 0.000 1.060 288 I HN 0.301 nan 8.210 nan 0.000 0.418 289 Q N 0.564 120.400 119.800 0.060 0.000 2.248 289 Q HA -0.139 4.201 4.340 -0.001 0.000 0.208 289 Q C 2.068 178.097 176.000 0.048 0.000 0.984 289 Q CA 2.255 58.088 55.803 0.051 0.000 0.875 289 Q CB -0.249 28.514 28.738 0.043 0.000 0.910 289 Q HN 0.776 nan 8.270 nan 0.000 0.433 290 V N -3.173 116.786 119.914 0.076 0.000 3.542 290 V HA 0.150 4.270 4.120 -0.001 0.000 0.296 290 V C 1.178 177.317 176.094 0.074 0.000 1.364 290 V CA 0.639 62.983 62.300 0.072 0.000 1.118 290 V CB 0.360 32.231 31.823 0.080 0.000 0.972 290 V HN 0.213 nan 8.190 nan 0.000 0.430 291 S N 1.237 116.968 115.700 0.051 0.000 3.316 291 S HA 0.033 4.502 4.470 -0.001 0.000 0.174 291 S C 1.705 176.299 174.600 -0.010 0.000 0.734 291 S CA 0.898 59.105 58.200 0.012 0.000 0.861 291 S CB -0.223 62.948 63.200 -0.047 0.000 1.009 291 S HN 0.578 nan 8.310 nan 0.000 0.728 292 T N 0.693 115.227 114.554 -0.034 0.000 3.113 292 T HA 0.358 4.708 4.350 -0.001 0.000 0.256 292 T C 1.353 176.017 174.700 -0.061 0.000 1.131 292 T CA 0.690 62.760 62.100 -0.049 0.000 1.074 292 T CB -0.811 68.021 68.868 -0.060 0.000 0.944 292 T HN 0.504 nan 8.240 nan 0.000 0.516 293 L N -0.131 121.088 121.223 -0.008 0.000 4.373 293 L HA -0.299 4.041 4.340 -0.001 0.000 0.371 293 L C 0.736 177.683 176.870 0.129 0.000 1.222 293 L CA 2.229 57.096 54.840 0.045 0.000 2.643 293 L CB -1.979 40.120 42.059 0.066 0.000 1.094 293 L HN 0.902 nan 8.230 nan 0.000 0.692 294 H N -2.591 116.520 119.070 0.067 0.000 3.024 294 H HA 0.455 5.011 4.556 -0.000 0.000 0.324 294 H C -3.197 172.169 175.328 0.062 0.000 1.347 294 H CA -1.421 54.666 56.048 0.065 0.000 1.182 294 H CB 1.591 31.404 29.762 0.086 0.000 1.889 294 H HN -0.133 nan 8.280 nan 0.000 0.528 295 P HA 0.032 nan 4.420 nan 0.000 0.274 295 P C 0.290 177.725 177.300 0.225 0.000 1.231 295 P CA -0.255 62.919 63.100 0.125 0.000 0.790 295 P CB 0.895 32.671 31.700 0.128 0.000 0.951 296 S N 0.777 116.548 115.700 0.120 0.000 2.626 296 S HA -0.066 4.404 4.470 -0.001 0.000 0.303 296 S C 1.657 176.391 174.600 0.223 0.000 1.256 296 S CA 0.636 58.925 58.200 0.148 0.000 1.069 296 S CB -0.486 62.770 63.200 0.093 0.000 0.807 296 S HN 0.689 nan 8.310 nan 0.000 0.500 297 T N 4.564 119.275 114.554 0.261 0.000 2.904 297 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 297 T C 1.415 176.184 174.700 0.116 0.000 1.059 297 T CA 1.436 63.621 62.100 0.143 0.000 1.137 297 T CB -0.518 68.369 68.868 0.033 0.000 0.879 297 T HN 0.699 nan 8.240 nan 0.000 0.467 298 F N 2.350 122.314 119.950 0.023 0.000 2.102 298 F HA 0.025 4.551 4.527 -0.001 0.000 0.298 298 F C 2.085 177.950 175.800 0.107 0.000 1.105 298 F CA 1.925 59.967 58.000 0.070 0.000 1.239 298 F CB -0.522 38.503 39.000 0.041 0.000 0.991 298 F HN 0.307 nan 8.300 nan 0.000 0.474 299 N N -0.685 118.227 118.700 0.353 0.000 2.244 299 N HA -0.174 4.566 4.740 -0.001 0.000 0.183 299 N C 1.748 177.313 175.510 0.092 0.000 1.016 299 N CA 0.890 54.071 53.050 0.218 0.000 0.866 299 N CB -0.178 38.402 38.487 0.155 0.000 0.980 299 N HN 0.480 nan 8.380 nan 0.000 0.430 300 Q N 0.859 120.708 119.800 0.082 0.000 2.050 300 Q HA -0.079 4.261 4.340 -0.001 0.000 0.202 300 Q C 2.174 178.157 176.000 -0.029 0.000 0.980 300 Q CA 0.981 56.802 55.803 0.030 0.000 0.840 300 Q CB -0.063 28.701 28.738 0.044 0.000 0.898 300 Q HN 0.397 nan 8.270 nan 0.000 0.424 301 L N -0.018 121.179 121.223 -0.044 0.000 2.017 301 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 301 L C 2.522 179.409 176.870 0.028 0.000 1.073 301 L CA 1.131 55.925 54.840 -0.078 0.000 0.745 301 L CB -0.404 41.478 42.059 -0.294 0.000 0.894 301 L HN 0.329 nan 8.230 nan 0.000 0.432 302 M N -0.488 119.153 119.600 0.068 0.000 2.088 302 M HA -0.303 4.176 4.480 -0.001 0.000 0.256 302 M C 2.328 178.511 176.300 -0.195 0.000 1.071 302 M CA 2.061 57.306 55.300 -0.090 0.000 1.097 302 M CB -0.540 31.994 32.600 -0.109 0.000 1.315 302 M HN 0.189 nan 8.290 nan 0.000 0.406 303 I N -0.981 119.468 120.570 -0.203 0.000 2.252 303 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 303 I C 2.742 178.619 176.117 -0.400 0.000 1.102 303 I CA 1.254 62.343 61.300 -0.352 0.000 1.385 303 I CB -0.359 37.426 38.000 -0.358 0.000 1.064 303 I HN 0.318 nan 8.210 nan 0.000 0.414 304 S N -0.006 115.539 115.700 -0.259 0.000 2.383 304 S HA -0.178 4.292 4.470 -0.001 0.000 0.227 304 S C 2.045 176.576 174.600 -0.115 0.000 1.026 304 S CA 1.094 59.176 58.200 -0.197 0.000 0.981 304 S CB -0.091 63.061 63.200 -0.081 0.000 0.818 304 S HN 0.359 nan 8.310 nan 0.000 0.472 305 Q N 0.539 120.248 119.800 -0.151 0.000 2.061 305 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 305 Q C 2.279 178.132 176.000 -0.245 0.000 0.984 305 Q CA 1.419 57.136 55.803 -0.145 0.000 0.846 305 Q CB -0.807 27.866 28.738 -0.108 0.000 0.902 305 Q HN 0.548 nan 8.270 nan 0.000 0.421 306 L N 0.543 121.523 121.223 -0.406 0.000 1.989 306 L HA -0.205 4.134 4.340 -0.001 0.000 0.211 306 L C 2.134 178.583 176.870 -0.701 0.000 1.071 306 L CA 1.454 55.891 54.840 -0.672 0.000 0.749 306 L CB -0.632 40.917 42.059 -0.849 0.000 0.890 306 L HN 0.108 nan 8.230 nan 0.000 0.431 307 L N -0.610 120.220 121.223 -0.655 0.000 2.017 307 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 307 L C 2.694 179.316 176.870 -0.414 0.000 1.073 307 L CA 1.762 56.186 54.840 -0.693 0.000 0.745 307 L CB -1.514 39.617 42.059 -1.546 0.000 0.894 307 L HN 0.427 nan 8.230 nan 0.000 0.432 308 H N -1.367 117.497 119.070 -0.343 0.000 2.423 308 H HA -0.140 4.416 4.556 -0.001 0.000 0.297 308 H C 2.065 177.410 175.328 0.027 0.000 1.075 308 H CA 1.416 57.434 56.048 -0.050 0.000 1.342 308 H CB 0.370 30.097 29.762 -0.059 0.000 1.395 308 H HN 0.344 nan 8.280 nan 0.000 0.530 309 E N 0.641 120.874 120.200 0.055 0.000 2.046 309 E HA -0.139 4.211 4.350 -0.001 0.000 0.190 309 E C 2.007 178.722 176.600 0.192 0.000 0.982 309 E CA 0.821 57.259 56.400 0.064 0.000 0.800 309 E CB -0.350 29.324 29.700 -0.043 0.000 0.756 309 E HN 0.235 nan 8.360 nan 0.000 0.449 310 W N 1.386 122.701 121.300 0.025 0.000 2.342 310 W HA 0.116 4.775 4.660 -0.001 0.000 0.297 310 W C 1.513 178.108 176.519 0.126 0.000 1.213 310 W CA 1.878 59.263 57.345 0.066 0.000 1.251 310 W CB -1.233 28.274 29.460 0.078 0.000 1.136 310 W HN 0.361 nan 8.180 nan 0.000 0.526 311 G N 0.300 109.350 108.800 0.417 0.000 2.591 311 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.278 311 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.278 311 G C 0.835 175.957 174.900 0.370 0.000 1.293 311 G CA 0.567 45.882 45.100 0.358 0.000 0.930 311 G HN 0.196 nan 8.290 nan 0.000 0.562 312 E N 0.561 120.897 120.200 0.226 0.000 2.216 312 E HA -0.029 4.321 4.350 -0.001 0.000 0.192 312 E C 2.527 179.225 176.600 0.163 0.000 0.988 312 E CA 1.346 57.866 56.400 0.200 0.000 0.834 312 E CB -0.147 29.604 29.700 0.085 0.000 0.772 312 E HN 0.623 nan 8.360 nan 0.000 0.479 313 E N 0.320 120.586 120.200 0.110 0.000 2.047 313 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 313 E C 2.207 178.782 176.600 -0.042 0.000 0.987 313 E CA 1.135 57.560 56.400 0.042 0.000 0.799 313 E CB -0.661 29.062 29.700 0.038 0.000 0.752 313 E HN 0.299 nan 8.360 nan 0.000 0.449 314 G N 0.901 109.674 108.800 -0.046 0.000 2.446 314 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.217 314 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.217 314 G C 1.517 175.950 174.900 -0.778 0.000 1.168 314 G CA 0.724 45.563 45.100 -0.436 0.000 0.771 314 G HN 0.233 nan 8.290 nan 0.000 0.551 315 F N 0.698 120.435 119.950 -0.356 0.000 2.075 315 F HA -0.020 4.506 4.527 -0.001 0.000 0.297 315 F C 2.625 178.295 175.800 -0.216 0.000 1.113 315 F CA 1.587 59.440 58.000 -0.246 0.000 1.218 315 F CB 0.009 39.159 39.000 0.250 0.000 0.984 315 F HN 0.008 nan 8.300 nan 0.000 0.472 316 M N 0.126 119.688 119.600 -0.064 0.000 2.296 316 M HA -0.029 4.451 4.480 -0.001 0.000 0.265 316 M C 2.387 178.564 176.300 -0.204 0.000 1.064 316 M CA 1.299 56.531 55.300 -0.113 0.000 1.109 316 M CB -1.783 30.852 32.600 0.058 0.000 1.396 316 M HN 0.322 nan 8.290 nan 0.000 0.430 317 A N -1.255 121.418 122.820 -0.245 0.000 1.898 317 A HA -0.214 4.106 4.320 -0.001 0.000 0.216 317 A C 2.017 179.423 177.584 -0.298 0.000 1.181 317 A CA 2.051 53.946 52.037 -0.238 0.000 0.620 317 A CB -0.969 17.898 19.000 -0.223 0.000 0.819 317 A HN 0.568 nan 8.150 nan 0.000 0.442 318 H N -0.300 118.409 119.070 -0.602 0.000 2.321 318 H HA -0.097 4.459 4.556 -0.001 0.000 0.300 318 H C 2.050 177.162 175.328 -0.360 0.000 1.087 318 H CA 2.407 58.125 56.048 -0.550 0.000 1.319 318 H CB -0.276 28.931 29.762 -0.926 0.000 1.379 318 H HN 0.212 nan 8.280 nan 0.000 0.501 319 V N 0.490 120.114 119.914 -0.484 0.000 2.358 319 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 319 V C 1.670 177.649 176.094 -0.191 0.000 1.047 319 V CA 2.434 64.523 62.300 -0.352 0.000 1.035 319 V CB -0.458 31.170 31.823 -0.324 0.000 0.658 319 V HN 0.456 nan 8.190 nan 0.000 0.452 320 D N 0.359 120.662 120.400 -0.162 0.000 2.126 320 D HA -0.212 4.427 4.640 -0.001 0.000 0.190 320 D C 2.382 178.637 176.300 -0.075 0.000 1.001 320 D CA 2.083 56.030 54.000 -0.088 0.000 0.841 320 D CB -0.391 40.358 40.800 -0.085 0.000 0.949 320 D HN 0.513 nan 8.370 nan 0.000 0.446 321 R N 0.209 120.628 120.500 -0.135 0.000 2.081 321 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 321 R C 2.437 178.707 176.300 -0.048 0.000 1.131 321 R CA 1.071 57.113 56.100 -0.098 0.000 0.960 321 R CB -0.460 29.762 30.300 -0.130 0.000 0.856 321 R HN 0.216 nan 8.270 nan 0.000 0.436 322 V N 0.305 120.145 119.914 -0.123 0.000 2.488 322 V HA -0.114 4.006 4.120 -0.001 0.000 0.246 322 V C 1.909 178.191 176.094 0.314 0.000 1.046 322 V CA 1.311 63.658 62.300 0.078 0.000 1.053 322 V CB -0.226 31.607 31.823 0.016 0.000 0.679 322 V HN 0.222 nan 8.190 nan 0.000 0.458 323 I N 0.726 121.412 120.570 0.194 0.000 2.163 323 I HA -0.226 3.944 4.170 -0.001 0.000 0.243 323 I C 2.439 178.720 176.117 0.273 0.000 1.085 323 I CA 2.267 63.722 61.300 0.258 0.000 1.347 323 I CB -0.618 37.465 38.000 0.138 0.000 1.044 323 I HN 0.324 nan 8.210 nan 0.000 0.408 324 D N 0.510 121.004 120.400 0.157 0.000 2.123 324 D HA -0.223 4.417 4.640 -0.001 0.000 0.196 324 D C 1.877 178.244 176.300 0.112 0.000 0.992 324 D CA 1.242 55.305 54.000 0.105 0.000 0.833 324 D CB -0.388 40.444 40.800 0.055 0.000 0.954 324 D HN 0.262 nan 8.370 nan 0.000 0.455 325 F N 0.450 120.410 119.950 0.018 0.000 2.046 325 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 325 F C 2.074 177.862 175.800 -0.021 0.000 1.123 325 F CA 1.494 59.463 58.000 -0.052 0.000 1.199 325 F CB -0.716 38.195 39.000 -0.149 0.000 0.972 325 F HN -0.028 nan 8.300 nan 0.000 0.474 326 Y N -0.437 119.866 120.300 0.004 0.000 2.352 326 Y HA -0.152 4.398 4.550 -0.001 0.000 0.292 326 Y C 2.980 178.839 175.900 -0.069 0.000 1.136 326 Y CA 1.531 59.653 58.100 0.037 0.000 1.227 326 Y CB -1.031 37.679 38.460 0.416 0.000 0.991 326 Y HN 0.140 nan 8.280 nan 0.000 0.545 327 S N -0.111 115.618 115.700 0.048 0.000 2.368 327 S HA -0.198 4.272 4.470 -0.001 0.000 0.225 327 S C 1.823 176.196 174.600 -0.378 0.000 1.030 327 S CA 1.575 59.579 58.200 -0.327 0.000 0.999 327 S CB -0.409 62.751 63.200 -0.066 0.000 0.844 327 S HN 0.590 nan 8.310 nan 0.000 0.459 328 N N 0.019 118.550 118.700 -0.282 0.000 2.142 328 N HA -0.084 4.656 4.740 -0.001 0.000 0.186 328 N C 1.919 177.214 175.510 -0.358 0.000 1.023 328 N CA 0.954 53.834 53.050 -0.284 0.000 0.852 328 N CB -0.049 38.305 38.487 -0.221 0.000 0.998 328 N HN 0.357 nan 8.380 nan 0.000 0.424 329 Q N 1.246 120.771 119.800 -0.458 0.000 2.124 329 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 329 Q C 1.876 177.587 176.000 -0.481 0.000 0.977 329 Q CA 1.111 56.692 55.803 -0.369 0.000 0.850 329 Q CB -0.228 28.348 28.738 -0.271 0.000 0.901 329 Q HN 0.397 nan 8.270 nan 0.000 0.429 330 K N 0.684 120.628 120.400 -0.759 0.000 2.057 330 K HA -0.164 4.156 4.320 -0.001 0.000 0.207 330 K C 1.280 177.464 176.600 -0.693 0.000 1.049 330 K CA 1.454 57.020 56.287 -1.203 0.000 0.931 330 K CB 0.146 31.864 32.500 -1.304 0.000 0.714 330 K HN 0.057 nan 8.250 nan 0.000 0.440 331 D N 0.549 120.656 120.400 -0.489 0.000 2.117 331 D HA -0.131 4.509 4.640 -0.001 0.000 0.197 331 D C 1.834 177.966 176.300 -0.279 0.000 0.987 331 D CA 1.343 55.149 54.000 -0.323 0.000 0.829 331 D CB -0.264 40.388 40.800 -0.247 0.000 0.961 331 D HN 0.345 nan 8.370 nan 0.000 0.460 332 A N 0.991 123.648 122.820 -0.273 0.000 1.908 332 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 332 A C 2.321 179.758 177.584 -0.244 0.000 1.181 332 A CA 0.958 52.868 52.037 -0.210 0.000 0.627 332 A CB -0.772 18.130 19.000 -0.165 0.000 0.818 332 A HN 0.267 nan 8.150 nan 0.000 0.445 333 I N -1.211 119.171 120.570 -0.314 0.000 2.546 333 I HA -0.140 4.029 4.170 -0.001 0.000 0.255 333 I C 1.958 177.780 176.117 -0.492 0.000 1.163 333 I CA 0.619 61.701 61.300 -0.363 0.000 1.457 333 I CB 0.061 37.919 38.000 -0.237 0.000 1.092 333 I HN 0.206 nan 8.210 nan 0.000 0.434 334 L N 0.691 121.681 121.223 -0.389 0.000 2.044 334 L HA -0.018 4.321 4.340 -0.001 0.000 0.205 334 L C 2.721 179.447 176.870 -0.241 0.000 1.075 334 L CA 2.045 56.705 54.840 -0.300 0.000 0.747 334 L CB -1.642 40.321 42.059 -0.160 0.000 0.903 334 L HN 0.228 nan 8.230 nan 0.000 0.435 335 A N -0.571 122.124 122.820 -0.208 0.000 1.948 335 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 335 A C 2.418 179.886 177.584 -0.194 0.000 1.177 335 A CA 1.996 53.935 52.037 -0.163 0.000 0.636 335 A CB -0.745 18.171 19.000 -0.140 0.000 0.815 335 A HN 0.417 nan 8.150 nan 0.000 0.449 336 A N -0.683 121.970 122.820 -0.279 0.000 1.970 336 A HA 0.338 4.658 4.320 -0.001 0.000 0.216 336 A C 2.414 179.725 177.584 -0.455 0.000 1.170 336 A CA 1.573 53.444 52.037 -0.277 0.000 0.645 336 A CB -0.739 18.069 19.000 -0.320 0.000 0.816 336 A HN 0.973 nan 8.150 nan 0.000 0.447 337 A N 0.146 122.514 122.820 -0.752 0.000 1.929 337 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 337 A C 1.713 179.134 177.584 -0.271 0.000 1.176 337 A CA 1.655 53.206 52.037 -0.809 0.000 0.628 337 A CB -0.428 17.721 19.000 -1.418 0.000 0.816 337 A HN 0.418 nan 8.150 nan 0.000 0.444 338 D N -0.270 120.101 120.400 -0.048 0.000 2.117 338 D HA -0.149 4.490 4.640 -0.001 0.000 0.197 338 D C 1.860 178.158 176.300 -0.003 0.000 0.987 338 D CA 1.497 55.576 54.000 0.133 0.000 0.829 338 D CB -0.222 40.622 40.800 0.073 0.000 0.961 338 D HN 0.573 nan 8.370 nan 0.000 0.460 339 K N -0.904 119.408 120.400 -0.146 0.000 2.211 339 K HA -0.119 4.201 4.320 -0.001 0.000 0.203 339 K C 1.010 177.314 176.600 -0.493 0.000 1.050 339 K CA 0.868 56.923 56.287 -0.386 0.000 0.945 339 K CB 0.082 32.242 32.500 -0.566 0.000 0.732 339 K HN 0.197 nan 8.250 nan 0.000 0.451 340 W N -1.126 120.185 121.300 0.019 0.000 2.534 340 W HA 0.229 4.888 4.660 -0.001 0.000 0.339 340 W C 0.672 177.248 176.519 0.096 0.000 0.961 340 W CA -0.612 56.769 57.345 0.059 0.000 1.545 340 W CB 0.739 30.250 29.460 0.085 0.000 1.104 340 W HN -0.046 nan 8.180 nan 0.000 0.538 341 L N -0.569 120.833 121.223 0.298 0.000 3.076 341 L HA 0.186 4.526 4.340 -0.001 0.000 0.271 341 L C 1.028 178.132 176.870 0.390 0.000 1.152 341 L CA 0.780 55.811 54.840 0.319 0.000 0.996 341 L CB -0.261 41.949 42.059 0.252 0.000 1.453 341 L HN -0.288 nan 8.230 nan 0.000 0.571 342 T N -0.424 114.356 114.554 0.377 0.000 2.759 342 T HA 0.474 4.824 4.350 -0.001 0.000 0.273 342 T C 1.112 175.884 174.700 0.120 0.000 0.938 342 T CA 0.527 62.781 62.100 0.257 0.000 1.197 342 T CB 0.191 69.155 68.868 0.161 0.000 0.887 342 T HN 0.470 nan 8.240 nan 0.000 0.540 343 G N 2.788 111.643 108.800 0.091 0.000 3.736 343 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.196 343 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.196 343 G C 0.755 175.693 174.900 0.063 0.000 1.811 343 G CA -0.164 44.967 45.100 0.053 0.000 1.175 343 G HN 0.654 nan 8.290 nan 0.000 0.429 344 L N 0.626 121.912 121.223 0.106 0.000 2.291 344 L HA 0.620 4.959 4.340 -0.001 0.000 0.214 344 L C 1.260 178.188 176.870 0.096 0.000 1.120 344 L CA 1.351 56.245 54.840 0.091 0.000 0.799 344 L CB -0.627 41.491 42.059 0.099 0.000 0.925 344 L HN 0.737 nan 8.230 nan 0.000 0.446 345 A N -0.119 122.806 122.820 0.175 0.000 2.566 345 A HA 0.738 5.058 4.320 -0.001 0.000 0.292 345 A C -1.119 176.582 177.584 0.194 0.000 1.112 345 A CA -0.612 51.544 52.037 0.197 0.000 0.707 345 A CB 1.485 20.648 19.000 0.272 0.000 1.302 345 A HN 0.168 nan 8.150 nan 0.000 0.409 346 E N -0.451 119.818 120.200 0.116 0.000 2.227 346 E HA 0.629 4.979 4.350 -0.001 0.000 0.268 346 E C -1.477 175.223 176.600 0.167 0.000 0.907 346 E CA -0.342 56.020 56.400 -0.064 0.000 0.786 346 E CB 2.019 31.625 29.700 -0.156 0.000 1.191 346 E HN 0.678 nan 8.360 nan 0.000 0.411 347 W N 0.388 121.634 121.300 -0.090 0.000 3.363 347 W HA 0.419 5.078 4.660 -0.001 0.000 0.306 347 W C -1.283 175.172 176.519 -0.107 0.000 1.253 347 W CA -0.745 56.571 57.345 -0.048 0.000 1.195 347 W CB 0.494 29.998 29.460 0.074 0.000 1.366 347 W HN 0.363 nan 8.180 nan 0.000 0.551 348 H N 1.240 120.521 119.070 0.351 0.000 2.482 348 H HA 0.429 4.984 4.556 -0.001 0.000 0.344 348 H C -0.106 175.422 175.328 0.333 0.000 1.151 348 H CA -0.722 55.470 56.048 0.240 0.000 1.300 348 H CB 2.151 32.042 29.762 0.214 0.000 1.494 348 H HN 0.324 nan 8.280 nan 0.000 0.542 349 V N 4.832 124.966 119.914 0.366 0.000 2.529 349 V HA 0.030 4.150 4.120 -0.001 0.000 0.292 349 V C -1.805 174.448 176.094 0.265 0.000 1.028 349 V CA -1.078 61.388 62.300 0.277 0.000 1.074 349 V CB 0.214 32.140 31.823 0.172 0.000 0.958 349 V HN 0.602 nan 8.190 nan 0.000 0.481 350 P HA 0.219 nan 4.420 nan 0.000 0.271 350 P C 0.328 177.846 177.300 0.363 0.000 1.220 350 P CA -0.117 63.179 63.100 0.327 0.000 0.768 350 P CB 1.063 33.037 31.700 0.457 0.000 0.848 351 A N 2.717 125.687 122.820 0.250 0.000 2.072 351 A HA 0.460 4.780 4.320 -0.001 0.000 0.216 351 A C 0.905 178.511 177.584 0.037 0.000 1.156 351 A CA 1.495 53.649 52.037 0.195 0.000 0.701 351 A CB -0.311 18.736 19.000 0.078 0.000 0.816 351 A HN 0.645 nan 8.150 nan 0.000 0.458 352 A N -3.844 118.908 122.820 -0.112 0.000 2.540 352 A HA 0.656 4.975 4.320 -0.001 0.000 0.291 352 A C 0.530 177.874 177.584 -0.401 0.000 1.083 352 A CA 0.067 51.713 52.037 -0.652 0.000 0.650 352 A CB -0.369 18.384 19.000 -0.412 0.000 1.292 352 A HN 2.095 nan 8.150 nan 0.000 0.435 353 G N -0.743 107.727 108.800 -0.551 0.000 2.499 353 G HA2 0.147 4.107 3.960 -0.001 0.000 0.232 353 G HA3 0.147 4.107 3.960 -0.001 0.000 0.232 353 G C 0.362 174.905 174.900 -0.594 0.000 1.251 353 G CA 0.964 45.654 45.100 -0.682 0.000 0.917 353 G HN 2.284 nan 8.290 nan 0.000 0.580 354 M N -2.035 116.909 119.600 -1.093 0.000 2.449 354 M HA 0.617 5.097 4.480 -0.001 0.000 0.410 354 M C -0.614 174.572 176.300 -1.858 0.000 1.079 354 M CA -0.138 54.211 55.300 -1.584 0.000 0.922 354 M CB 0.746 32.661 32.600 -1.142 0.000 1.676 354 M HN 0.270 nan 8.290 nan 0.000 0.572 355 F N 1.606 121.222 119.950 -0.556 0.000 2.546 355 F HA 0.756 5.283 4.527 0.000 0.000 0.320 355 F C -0.746 175.249 175.800 0.325 0.000 1.076 355 F CA -1.377 56.561 58.000 -0.104 0.000 0.928 355 F CB 1.739 40.672 39.000 -0.112 0.000 1.189 355 F HN -0.058 nan 8.300 nan 0.000 0.465 356 L N 3.312 124.892 121.223 0.596 0.000 2.322 356 L HA 0.438 4.778 4.340 -0.001 0.000 0.281 356 L C -1.406 175.771 176.870 0.512 0.000 1.014 356 L CA -0.675 54.469 54.840 0.507 0.000 0.815 356 L CB 1.390 43.682 42.059 0.389 0.000 1.247 356 L HN 0.755 nan 8.230 nan 0.000 0.421 357 W N 8.130 129.591 121.300 0.269 0.000 2.329 357 W HA 0.547 5.206 4.660 -0.002 0.000 0.312 357 W C -1.465 175.264 176.519 0.350 0.000 1.054 357 W CA -0.867 56.625 57.345 0.245 0.000 1.245 357 W CB 1.299 30.863 29.460 0.174 0.000 1.255 357 W HN 0.388 nan 8.180 nan 0.000 0.436 358 I N 6.107 126.755 120.570 0.129 0.000 2.389 358 I HA 0.230 4.400 4.170 -0.001 0.000 0.288 358 I C 0.014 176.068 176.117 -0.106 0.000 0.999 358 I CA -0.794 60.573 61.300 0.111 0.000 1.129 358 I CB 1.901 39.971 38.000 0.115 0.000 1.288 358 I HN 0.245 nan 8.210 nan 0.000 0.444 359 K N 6.659 126.985 120.400 -0.123 0.000 2.262 359 K HA 0.404 4.724 4.320 -0.001 0.000 0.282 359 K C -0.525 175.952 176.600 -0.206 0.000 1.066 359 K CA -0.551 55.467 56.287 -0.448 0.000 0.901 359 K CB 1.152 33.328 32.500 -0.539 0.000 1.089 359 K HN 0.572 nan 8.250 nan 0.000 0.476 360 V N 2.655 122.442 119.914 -0.212 0.000 2.432 360 V HA 0.227 4.346 4.120 -0.001 0.000 0.271 360 V C 0.699 176.723 176.094 -0.117 0.000 1.046 360 V CA -0.268 61.971 62.300 -0.101 0.000 0.945 360 V CB 1.286 33.068 31.823 -0.068 0.000 0.992 360 V HN 0.807 nan 8.190 nan 0.000 0.471 361 K N 3.713 124.071 120.400 -0.069 0.000 2.288 361 K HA 0.059 4.379 4.320 -0.001 0.000 0.201 361 K C 2.013 178.579 176.600 -0.058 0.000 1.048 361 K CA 1.189 57.433 56.287 -0.070 0.000 0.956 361 K CB -0.095 32.380 32.500 -0.041 0.000 0.746 361 K HN 0.933 nan 8.250 nan 0.000 0.461 362 G N 1.902 110.676 108.800 -0.044 0.000 2.434 362 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.214 362 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.214 362 G C 0.817 175.693 174.900 -0.040 0.000 1.202 362 G CA 0.555 45.635 45.100 -0.034 0.000 0.788 362 G HN 0.107 nan 8.290 nan 0.000 0.539 363 I N -0.333 120.207 120.570 -0.049 0.000 2.822 363 I HA 0.323 4.493 4.170 -0.001 0.000 0.312 363 I C 0.792 176.876 176.117 -0.055 0.000 1.011 363 I CA -0.959 60.314 61.300 -0.044 0.000 1.105 363 I CB 1.648 39.625 38.000 -0.038 0.000 1.291 363 I HN -0.142 nan 8.210 nan 0.000 0.474 364 N N 1.104 119.778 118.700 -0.043 0.000 2.250 364 N HA -0.059 4.681 4.740 -0.001 0.000 0.181 364 N C -0.197 175.287 175.510 -0.042 0.000 1.017 364 N CA 1.188 54.213 53.050 -0.042 0.000 0.866 364 N CB 0.002 38.471 38.487 -0.030 0.000 0.985 364 N HN 0.620 nan 8.380 nan 0.000 0.429 365 D N -0.458 119.921 120.400 -0.035 0.000 2.863 365 D HA 0.155 4.794 4.640 -0.001 0.000 0.245 365 D C 0.151 176.437 176.300 -0.023 0.000 1.211 365 D CA -0.440 53.545 54.000 -0.024 0.000 0.888 365 D CB 2.543 43.333 40.800 -0.016 0.000 1.483 365 D HN -0.306 nan 8.370 nan 0.000 0.533 366 V N 4.490 124.394 119.914 -0.017 0.000 3.129 366 V HA 0.000 4.120 4.120 -0.001 0.000 0.259 366 V C 2.035 178.125 176.094 -0.006 0.000 1.116 366 V CA 1.161 63.449 62.300 -0.020 0.000 1.127 366 V CB -0.207 31.602 31.823 -0.024 0.000 0.742 366 V HN 0.521 nan 8.190 nan 0.000 0.474 367 K N -0.358 120.044 120.400 0.004 0.000 2.211 367 K HA -0.182 4.137 4.320 -0.001 0.000 0.204 367 K C 2.068 178.666 176.600 -0.003 0.000 1.047 367 K CA 1.250 57.540 56.287 0.006 0.000 0.935 367 K CB -0.010 32.495 32.500 0.009 0.000 0.728 367 K HN 0.463 nan 8.250 nan 0.000 0.452 368 E N 0.644 120.839 120.200 -0.009 0.000 2.012 368 E HA -0.194 4.156 4.350 -0.001 0.000 0.197 368 E C 1.662 178.254 176.600 -0.014 0.000 1.007 368 E CA 1.370 57.763 56.400 -0.012 0.000 0.816 368 E CB -0.064 29.627 29.700 -0.014 0.000 0.762 368 E HN 0.233 nan 8.360 nan 0.000 0.451 369 L N -1.535 119.678 121.223 -0.018 0.000 2.611 369 L HA 0.216 4.556 4.340 -0.001 0.000 0.229 369 L C 1.442 178.296 176.870 -0.027 0.000 1.137 369 L CA 0.732 55.559 54.840 -0.023 0.000 0.901 369 L CB 0.164 42.208 42.059 -0.026 0.000 1.098 369 L HN 0.019 nan 8.230 nan 0.000 0.456 370 I N -1.132 119.426 120.570 -0.021 0.000 4.312 370 I HA 0.161 4.331 4.170 -0.001 0.000 0.324 370 I C 1.732 177.841 176.117 -0.013 0.000 1.298 370 I CA 0.555 61.842 61.300 -0.022 0.000 1.231 370 I CB 0.837 38.828 38.000 -0.016 0.000 1.152 370 I HN 0.391 nan 8.210 nan 0.000 0.421 371 E N 0.657 120.853 120.200 -0.008 0.000 2.075 371 E HA -0.098 4.252 4.350 -0.001 0.000 0.193 371 E C 1.598 178.194 176.600 -0.007 0.000 0.950 371 E CA 0.462 56.859 56.400 -0.004 0.000 0.859 371 E CB 0.355 30.055 29.700 0.000 0.000 0.846 371 E HN 0.099 nan 8.360 nan 0.000 0.467 372 E N 0.482 120.677 120.200 -0.009 0.000 2.150 372 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 372 E C 1.366 177.958 176.600 -0.013 0.000 0.985 372 E CA 1.250 57.644 56.400 -0.009 0.000 0.814 372 E CB 0.267 29.962 29.700 -0.009 0.000 0.752 372 E HN 0.086 nan 8.360 nan 0.000 0.466 373 K N -1.476 118.915 120.400 -0.016 0.000 2.399 373 K HA 0.334 4.654 4.320 -0.001 0.000 0.196 373 K C 1.621 178.205 176.600 -0.027 0.000 1.103 373 K CA 0.638 56.913 56.287 -0.020 0.000 0.986 373 K CB 0.970 33.458 32.500 -0.020 0.000 0.952 373 K HN 0.014 nan 8.250 nan 0.000 0.541 374 A N 1.306 124.109 122.820 -0.029 0.000 2.063 374 A HA 0.090 4.410 4.320 -0.001 0.000 0.211 374 A C 2.171 179.735 177.584 -0.033 0.000 1.177 374 A CA 0.225 52.238 52.037 -0.039 0.000 0.759 374 A CB -0.137 18.834 19.000 -0.048 0.000 0.857 374 A HN -0.002 nan 8.150 nan 0.000 0.468 375 V N 0.200 120.101 119.914 -0.022 0.000 2.515 375 V HA -0.142 3.978 4.120 -0.001 0.000 0.250 375 V C 2.207 178.291 176.094 -0.016 0.000 1.058 375 V CA 2.083 64.374 62.300 -0.016 0.000 1.064 375 V CB -0.423 31.395 31.823 -0.008 0.000 0.675 375 V HN 0.547 nan 8.190 nan 0.000 0.461 376 K N -1.195 119.194 120.400 -0.017 0.000 2.505 376 K HA 0.077 4.396 4.320 -0.001 0.000 0.192 376 K C 1.631 178.218 176.600 -0.022 0.000 1.025 376 K CA 0.260 56.537 56.287 -0.017 0.000 1.086 376 K CB 0.125 32.616 32.500 -0.014 0.000 0.840 376 K HN 0.275 nan 8.250 nan 0.000 0.514 377 M N -2.142 117.441 119.600 -0.028 0.000 2.643 377 M HA 0.202 4.682 4.480 -0.001 0.000 0.209 377 M C 1.377 177.656 176.300 -0.035 0.000 1.328 377 M CA 1.459 56.738 55.300 -0.036 0.000 1.305 377 M CB 0.275 32.846 32.600 -0.049 0.000 1.048 377 M HN 0.190 nan 8.290 nan 0.000 0.504 378 G N 0.011 108.787 108.800 -0.040 0.000 4.589 378 G HA2 0.222 4.181 3.960 -0.001 0.000 0.218 378 G HA3 0.222 4.181 3.960 -0.001 0.000 0.218 378 G C -0.500 174.378 174.900 -0.037 0.000 0.678 378 G CA 0.269 45.349 45.100 -0.034 0.000 0.859 378 G HN 0.444 nan 8.290 nan 0.000 0.650 379 V N -1.083 118.801 119.914 -0.050 0.000 2.864 379 V HA 0.935 5.055 4.120 -0.001 0.000 0.314 379 V C -0.844 175.224 176.094 -0.044 0.000 1.073 379 V CA -1.346 60.920 62.300 -0.056 0.000 0.956 379 V CB 2.229 33.991 31.823 -0.102 0.000 1.023 379 V HN 0.098 nan 8.190 nan 0.000 0.435 380 L N 4.263 125.469 121.223 -0.028 0.000 2.356 380 L HA 0.751 5.091 4.340 -0.001 0.000 0.277 380 L C -0.260 176.609 176.870 -0.002 0.000 0.996 380 L CA -0.159 54.676 54.840 -0.007 0.000 0.822 380 L CB 1.938 44.008 42.059 0.019 0.000 1.256 380 L HN 0.739 nan 8.230 nan 0.000 0.413 381 M N 3.018 122.616 119.600 -0.003 0.000 2.727 381 M HA 0.533 5.012 4.480 -0.001 0.000 0.300 381 M C -1.416 174.928 176.300 0.073 0.000 1.246 381 M CA -0.690 54.628 55.300 0.030 0.000 0.835 381 M CB 2.401 34.989 32.600 -0.022 0.000 1.755 381 M HN 0.292 nan 8.290 nan 0.000 0.473 382 L N 2.962 124.265 121.223 0.133 0.000 2.287 382 L HA 0.590 4.930 4.340 -0.001 0.000 0.287 382 L C -2.449 174.556 176.870 0.225 0.000 1.022 382 L CA -1.736 53.211 54.840 0.178 0.000 0.814 382 L CB 1.095 43.299 42.059 0.243 0.000 1.217 382 L HN 0.301 nan 8.230 nan 0.000 0.420 383 P HA 0.104 nan 4.420 nan 0.000 0.264 383 P C 0.700 178.199 177.300 0.332 0.000 1.193 383 P CA 0.175 63.384 63.100 0.182 0.000 0.763 383 P CB 0.703 32.465 31.700 0.104 0.000 0.810 384 G N 3.312 112.375 108.800 0.439 0.000 2.535 384 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.218 384 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.218 384 G C 1.210 176.557 174.900 0.746 0.000 1.122 384 G CA 0.314 45.910 45.100 0.826 0.000 0.769 384 G HN 0.445 nan 8.290 nan 0.000 0.549 385 N N 1.451 120.385 118.700 0.390 0.000 2.133 385 N HA -0.182 4.557 4.740 -0.001 0.000 0.193 385 N C 2.279 177.884 175.510 0.158 0.000 1.012 385 N CA 1.602 54.804 53.050 0.253 0.000 0.871 385 N CB -0.301 38.245 38.487 0.098 0.000 1.011 385 N HN 0.353 nan 8.380 nan 0.000 0.435 386 A N -0.458 122.291 122.820 -0.117 0.000 2.121 386 A HA -0.008 4.312 4.320 -0.001 0.000 0.218 386 A C 0.824 178.063 177.584 -0.575 0.000 1.154 386 A CA 0.801 52.556 52.037 -0.470 0.000 0.679 386 A CB -0.539 18.000 19.000 -0.769 0.000 0.795 386 A HN 0.298 nan 8.150 nan 0.000 0.458 387 F N -1.924 118.070 119.950 0.073 0.000 2.668 387 F HA 0.371 4.897 4.527 -0.002 0.000 0.297 387 F C -0.338 175.253 175.800 -0.348 0.000 1.124 387 F CA -0.419 57.486 58.000 -0.158 0.000 1.353 387 F CB -0.305 38.520 39.000 -0.292 0.000 0.992 387 F HN 0.093 nan 8.300 nan 0.000 0.524 388 Y N -2.104 118.253 120.300 0.095 0.000 2.536 388 Y HA 0.366 4.919 4.550 0.004 0.000 0.347 388 Y C 1.002 176.909 175.900 0.010 0.000 1.000 388 Y CA -1.256 56.887 58.100 0.072 0.000 1.051 388 Y CB 1.410 39.927 38.460 0.096 0.000 1.259 388 Y HN -0.281 nan 8.280 nan 0.000 0.468 389 V N 0.075 120.088 119.914 0.164 0.000 2.324 389 V HA -0.257 3.862 4.120 -0.001 0.000 0.250 389 V C 0.479 176.614 176.094 0.069 0.000 1.060 389 V CA 2.110 64.458 62.300 0.080 0.000 1.042 389 V CB -0.275 31.590 31.823 0.070 0.000 0.650 389 V HN 0.710 nan 8.190 nan 0.000 0.450 390 D N -0.445 120.018 120.400 0.105 0.000 2.479 390 D HA 0.171 4.810 4.640 -0.001 0.000 0.218 390 D C 1.187 177.523 176.300 0.059 0.000 1.131 390 D CA 0.505 54.536 54.000 0.052 0.000 0.916 390 D CB 0.935 41.754 40.800 0.032 0.000 1.022 390 D HN 0.342 nan 8.370 nan 0.000 0.515 391 S N 1.040 116.760 115.700 0.033 0.000 2.603 391 S HA -0.093 4.377 4.470 -0.001 0.000 0.220 391 S C 1.738 176.341 174.600 0.005 0.000 0.967 391 S CA 0.578 58.799 58.200 0.036 0.000 0.920 391 S CB -0.058 63.132 63.200 -0.016 0.000 0.773 391 S HN 0.302 nan 8.310 nan 0.000 0.529 392 S N 1.931 117.626 115.700 -0.009 0.000 2.406 392 S HA 0.408 4.877 4.470 -0.001 0.000 0.224 392 S C 1.082 175.671 174.600 -0.018 0.000 1.030 392 S CA 0.202 58.392 58.200 -0.015 0.000 0.958 392 S CB -0.888 62.301 63.200 -0.018 0.000 0.811 392 S HN 0.808 nan 8.310 nan 0.000 0.489 393 A N 4.296 127.099 122.820 -0.027 0.000 2.561 393 A HA 0.398 4.718 4.320 -0.001 0.000 0.234 393 A C -1.933 175.617 177.584 -0.056 0.000 1.055 393 A CA -0.870 51.138 52.037 -0.048 0.000 0.756 393 A CB -0.595 18.361 19.000 -0.073 0.000 0.986 393 A HN 0.508 nan 8.150 nan 0.000 0.505 394 P HA 0.146 nan 4.420 nan 0.000 0.269 394 P C -0.405 176.867 177.300 -0.046 0.000 1.209 394 P CA 0.120 63.198 63.100 -0.035 0.000 0.776 394 P CB 1.033 32.714 31.700 -0.032 0.000 0.876 395 S N 2.516 118.214 115.700 -0.003 0.000 2.736 395 S HA 0.422 4.892 4.470 -0.001 0.000 0.285 395 S C -2.092 172.521 174.600 0.021 0.000 1.163 395 S CA -1.607 56.624 58.200 0.052 0.000 1.025 395 S CB 1.456 64.755 63.200 0.164 0.000 1.030 395 S HN 0.250 nan 8.310 nan 0.000 0.486 396 P HA 0.077 nan 4.420 nan 0.000 0.245 396 P C -0.372 176.734 177.300 -0.322 0.000 1.212 396 P CA 0.204 63.178 63.100 -0.210 0.000 0.774 396 P CB -0.162 31.343 31.700 -0.326 0.000 0.999 397 Y N 0.160 120.333 120.300 -0.212 0.000 2.301 397 Y HA 0.396 4.945 4.550 -0.002 0.000 0.325 397 Y C 1.023 176.715 175.900 -0.346 0.000 1.203 397 Y CA -0.378 57.413 58.100 -0.514 0.000 1.255 397 Y CB 0.840 38.616 38.460 -1.140 0.000 1.232 397 Y HN -0.248 nan 8.280 nan 0.000 0.501 398 L N 3.207 124.326 121.223 -0.173 0.000 2.381 398 L HA 0.563 4.903 4.340 -0.001 0.000 0.268 398 L C -0.415 176.546 176.870 0.151 0.000 0.997 398 L CA -0.971 53.882 54.840 0.021 0.000 0.818 398 L CB 2.150 44.213 42.059 0.007 0.000 1.310 398 L HN 0.511 nan 8.230 nan 0.000 0.416 399 R N 2.082 122.781 120.500 0.331 0.000 2.294 399 R HA 0.758 5.098 4.340 -0.001 0.000 0.319 399 R C -1.037 175.423 176.300 0.266 0.000 0.984 399 R CA -0.377 55.947 56.100 0.373 0.000 0.861 399 R CB 1.499 31.948 30.300 0.249 0.000 1.104 399 R HN 0.723 nan 8.270 nan 0.000 0.451 400 A N 3.089 126.097 122.820 0.312 0.000 2.318 400 A HA 0.334 4.654 4.320 -0.001 0.000 0.317 400 A C -0.606 177.222 177.584 0.407 0.000 1.159 400 A CA -0.535 51.681 52.037 0.299 0.000 0.799 400 A CB 1.720 20.890 19.000 0.284 0.000 1.194 400 A HN 0.666 nan 8.150 nan 0.000 0.479 401 S N 1.263 117.180 115.700 0.361 0.000 2.562 401 S HA 0.546 5.016 4.470 -0.001 0.000 0.275 401 S C 0.104 174.835 174.600 0.219 0.000 1.281 401 S CA -0.417 57.940 58.200 0.262 0.000 1.045 401 S CB -0.020 63.330 63.200 0.251 0.000 0.962 401 S HN 1.103 nan 8.310 nan 0.000 0.503 402 F N 2.415 122.438 119.950 0.122 0.000 2.668 402 F HA 0.349 4.875 4.527 -0.001 0.000 0.301 402 F C 1.531 177.380 175.800 0.082 0.000 1.106 402 F CA -0.277 57.771 58.000 0.080 0.000 1.289 402 F CB -0.828 38.185 39.000 0.021 0.000 1.006 402 F HN 0.520 nan 8.300 nan 0.000 0.535 403 S N -0.927 114.808 115.700 0.059 0.000 2.402 403 S HA -0.090 4.380 4.470 -0.001 0.000 0.229 403 S C 1.582 176.311 174.600 0.215 0.000 1.021 403 S CA 1.372 59.706 58.200 0.223 0.000 0.974 403 S CB -0.472 62.885 63.200 0.261 0.000 0.800 403 S HN 0.384 nan 8.310 nan 0.000 0.484 404 S N 1.116 116.927 115.700 0.184 0.000 3.066 404 S HA 0.609 5.079 4.470 -0.001 0.000 0.235 404 S C 0.899 175.595 174.600 0.160 0.000 0.995 404 S CA 0.046 58.352 58.200 0.176 0.000 0.835 404 S CB -0.437 62.846 63.200 0.139 0.000 0.814 404 S HN 0.736 nan 8.310 nan 0.000 0.594 405 A N 3.144 126.046 122.820 0.138 0.000 2.565 405 A HA 0.399 4.719 4.320 -0.001 0.000 0.237 405 A C 0.714 178.359 177.584 0.102 0.000 1.053 405 A CA -0.067 52.039 52.037 0.116 0.000 0.755 405 A CB -0.213 18.861 19.000 0.123 0.000 0.980 405 A HN 0.568 nan 8.150 nan 0.000 0.506 406 S N 2.707 118.457 115.700 0.084 0.000 2.589 406 S HA 0.269 4.739 4.470 -0.001 0.000 0.265 406 S C -1.766 172.864 174.600 0.050 0.000 1.342 406 S CA -0.513 57.726 58.200 0.065 0.000 1.005 406 S CB 0.177 63.410 63.200 0.056 0.000 0.909 406 S HN 0.487 nan 8.310 nan 0.000 0.555 407 P HA -0.159 nan 4.420 nan 0.000 0.217 407 P C 1.473 178.799 177.300 0.043 0.000 1.151 407 P CA 1.528 64.637 63.100 0.016 0.000 0.849 407 P CB 0.017 31.716 31.700 -0.002 0.000 0.787 408 E N -0.024 120.203 120.200 0.045 0.000 2.021 408 E HA -0.246 4.104 4.350 -0.001 0.000 0.200 408 E C 2.169 178.802 176.600 0.055 0.000 1.015 408 E CA 1.723 58.153 56.400 0.050 0.000 0.824 408 E CB -0.825 28.899 29.700 0.040 0.000 0.762 408 E HN 0.244 nan 8.360 nan 0.000 0.454 409 Q N -0.610 119.223 119.800 0.055 0.000 2.112 409 Q HA -0.217 4.122 4.340 -0.001 0.000 0.206 409 Q C 2.412 178.460 176.000 0.081 0.000 0.987 409 Q CA 1.940 57.776 55.803 0.055 0.000 0.858 409 Q CB -0.238 28.536 28.738 0.060 0.000 0.905 409 Q HN 0.388 nan 8.270 nan 0.000 0.420 410 M N 0.284 119.953 119.600 0.116 0.000 2.080 410 M HA -0.232 4.248 4.480 -0.001 0.000 0.260 410 M C 1.768 178.201 176.300 0.222 0.000 1.068 410 M CA 1.776 57.197 55.300 0.203 0.000 1.109 410 M CB -0.306 32.377 32.600 0.137 0.000 1.342 410 M HN 0.178 nan 8.290 nan 0.000 0.405 411 D N -0.237 120.250 120.400 0.145 0.000 2.126 411 D HA -0.179 4.460 4.640 -0.001 0.000 0.190 411 D C 1.704 177.999 176.300 -0.009 0.000 1.001 411 D CA 1.634 55.747 54.000 0.188 0.000 0.841 411 D CB 0.091 41.014 40.800 0.205 0.000 0.949 411 D HN 0.082 nan 8.370 nan 0.000 0.446 412 V N 0.436 120.328 119.914 -0.036 0.000 2.358 412 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 412 V C 2.480 178.477 176.094 -0.163 0.000 1.047 412 V CA 1.702 63.915 62.300 -0.145 0.000 1.035 412 V CB -0.848 30.931 31.823 -0.074 0.000 0.658 412 V HN 0.370 nan 8.190 nan 0.000 0.452 413 A N -0.447 122.344 122.820 -0.049 0.000 1.908 413 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 413 A C 2.007 179.471 177.584 -0.200 0.000 1.181 413 A CA 2.097 54.078 52.037 -0.095 0.000 0.627 413 A CB -0.708 18.268 19.000 -0.040 0.000 0.818 413 A HN 0.497 nan 8.150 nan 0.000 0.445 414 F N -0.508 119.328 119.950 -0.190 0.000 2.416 414 F HA -0.025 4.501 4.527 -0.001 0.000 0.296 414 F C 2.502 178.089 175.800 -0.354 0.000 1.099 414 F CA 1.239 59.134 58.000 -0.175 0.000 1.427 414 F CB -0.394 38.584 39.000 -0.038 0.000 1.079 414 F HN 0.371 nan 8.300 nan 0.000 0.536 415 Q N 0.492 119.898 119.800 -0.657 0.000 2.045 415 Q HA -0.199 4.140 4.340 -0.001 0.000 0.206 415 Q C 2.226 177.967 176.000 -0.431 0.000 0.991 415 Q CA 2.495 57.697 55.803 -1.002 0.000 0.851 415 Q CB -0.392 27.552 28.738 -1.322 0.000 0.911 415 Q HN 0.245 nan 8.270 nan 0.000 0.418 416 V N 1.286 121.012 119.914 -0.314 0.000 2.287 416 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 416 V C 2.403 178.407 176.094 -0.150 0.000 1.053 416 V CA 1.851 64.034 62.300 -0.195 0.000 1.027 416 V CB -0.642 31.085 31.823 -0.160 0.000 0.646 416 V HN 0.506 nan 8.190 nan 0.000 0.447 417 L N -0.047 121.073 121.223 -0.172 0.000 2.042 417 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 417 L C 2.598 179.428 176.870 -0.067 0.000 1.076 417 L CA 2.073 56.827 54.840 -0.144 0.000 0.749 417 L CB -0.647 41.266 42.059 -0.245 0.000 0.893 417 L HN 0.400 nan 8.230 nan 0.000 0.432 418 A N -0.707 122.095 122.820 -0.030 0.000 1.940 418 A HA -0.312 4.008 4.320 -0.001 0.000 0.219 418 A C 2.201 179.808 177.584 0.038 0.000 1.176 418 A CA 2.048 54.121 52.037 0.060 0.000 0.631 418 A CB -0.589 18.511 19.000 0.166 0.000 0.814 418 A HN 0.677 nan 8.150 nan 0.000 0.446 419 Q N -0.516 119.278 119.800 -0.010 0.000 2.020 419 Q HA -0.069 4.271 4.340 -0.001 0.000 0.198 419 Q C 2.030 178.023 176.000 -0.012 0.000 0.974 419 Q CA 1.246 57.044 55.803 -0.007 0.000 0.829 419 Q CB -0.238 28.479 28.738 -0.035 0.000 0.894 419 Q HN 0.607 nan 8.270 nan 0.000 0.433 420 L N 0.755 121.959 121.223 -0.030 0.000 2.081 420 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 420 L C 2.413 179.272 176.870 -0.018 0.000 1.080 420 L CA 1.124 55.946 54.840 -0.029 0.000 0.754 420 L CB -0.316 41.716 42.059 -0.045 0.000 0.893 420 L HN 0.341 nan 8.230 nan 0.000 0.433 421 I N -0.676 119.888 120.570 -0.011 0.000 2.226 421 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 421 I C 2.315 178.436 176.117 0.006 0.000 1.100 421 I CA 1.341 62.640 61.300 -0.002 0.000 1.374 421 I CB -0.361 37.646 38.000 0.012 0.000 1.057 421 I HN 0.155 nan 8.210 nan 0.000 0.413 422 K N 0.637 121.046 120.400 0.015 0.000 2.442 422 K HA -0.103 4.217 4.320 -0.001 0.000 0.198 422 K C 1.597 178.203 176.600 0.010 0.000 1.042 422 K CA 0.809 57.108 56.287 0.019 0.000 0.958 422 K CB 0.015 32.535 32.500 0.033 0.000 0.766 422 K HN 0.460 nan 8.250 nan 0.000 0.474 423 E N -0.210 119.992 120.200 0.003 0.000 2.340 423 E HA 0.005 4.355 4.350 -0.001 0.000 0.194 423 E C 0.952 177.550 176.600 -0.003 0.000 0.996 423 E CA 0.452 56.852 56.400 -0.001 0.000 0.869 423 E CB 0.498 30.195 29.700 -0.005 0.000 0.835 423 E HN 0.109 nan 8.360 nan 0.000 0.493 424 S N 0.802 116.499 115.700 -0.006 0.000 2.597 424 S HA 0.200 4.670 4.470 -0.001 0.000 0.224 424 S C 0.705 175.300 174.600 -0.007 0.000 0.955 424 S CA -0.018 58.177 58.200 -0.008 0.000 0.933 424 S CB 0.093 63.285 63.200 -0.013 0.000 0.788 424 S HN 0.040 nan 8.310 nan 0.000 0.488 425 L N 0.000 121.221 121.223 -0.004 0.000 2.949 425 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 425 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 425 L CB 0.000 42.059 42.059 0.001 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502