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 3o0r_1_B DATA FIRST_RESID 10 DATA SEQUENCE FASQAVAKPY FVFALILFVG QILFGLIMGL QYVVGDFLFP AIPFNVARMV DATA SEQUENCE HTNLLIVWLL FGFMGAAYYL VPEESDCELY SPKLAWILFW VFAAAGVLTI DATA SEQUENCE LGYLLVPYAG LARLTGNELW PTMGREFLEQ PTISKAGIVI VALGFLFNVG DATA SEQUENCE MTVLRGRKTA ISMVLMTGLI GLALLFLFSF YNPENLTRDK FYWWWVVHLW DATA SEQUENCE VEGVWELIMG AILAFVLVKI TGVDREVIEK WLYVIIAMAL ISGIIGTGHH DATA SEQUENCE YFWIGVPGYW LWLGSVFSAL EPLPFFAMVL FAFNTINRRR RDYPNRAVAL DATA SEQUENCE WAMGTTVMAF LGAGVWGFMH TLAPVNYYTH GTQLTAAHGH MAFYGAYAMI DATA SEQUENCE VMTIISYAMP RLRGIGEAMD NRSQVLEMWG FWLMTVAMVF ITLFLSAAGV DATA SEQUENCE LQVWLQRMPA DGAAMTFMAT QDQLAIFYWL REGAGVVFLI GLVAYLLSF 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 10 F HA 0.000 nan 4.527 nan 0.000 0.279 10 F C 0.000 175.797 175.800 -0.005 0.000 0.967 10 F CA 0.000 57.995 58.000 -0.009 0.000 1.383 10 F CB 0.000 38.978 39.000 -0.037 0.000 1.145 11 A N 1.520 124.476 122.820 0.226 0.000 1.855 11 A HA -0.077 4.245 4.320 0.004 0.000 0.215 11 A C 2.042 179.686 177.584 0.101 0.000 1.191 11 A CA 1.963 54.078 52.037 0.130 0.000 0.613 11 A CB -0.842 18.218 19.000 0.099 0.000 0.829 11 A HN 0.950 nan 8.150 nan 0.000 0.442 12 S N -0.135 115.608 115.700 0.071 0.000 2.595 12 S HA -0.130 4.342 4.470 0.004 0.000 0.235 12 S C 1.437 176.051 174.600 0.023 0.000 0.974 12 S CA 0.990 59.210 58.200 0.035 0.000 0.942 12 S CB -0.550 62.645 63.200 -0.008 0.000 0.766 12 S HN 0.658 nan 8.310 nan 0.000 0.536 13 Q N 0.794 120.620 119.800 0.043 0.000 2.364 13 Q HA 0.036 4.378 4.340 0.004 0.000 0.209 13 Q C 2.389 178.458 176.000 0.115 0.000 0.977 13 Q CA 0.918 56.754 55.803 0.055 0.000 0.885 13 Q CB -0.580 28.149 28.738 -0.014 0.000 0.941 13 Q HN 0.823 nan 8.270 nan 0.000 0.464 14 A N 1.059 123.941 122.820 0.104 0.000 2.042 14 A HA -0.214 4.108 4.320 0.004 0.000 0.222 14 A C 2.338 179.961 177.584 0.065 0.000 1.167 14 A CA 1.847 53.951 52.037 0.112 0.000 0.649 14 A CB -0.930 18.146 19.000 0.126 0.000 0.809 14 A HN 0.380 nan 8.150 nan 0.000 0.457 15 V N -2.874 117.029 119.914 -0.019 0.000 2.626 15 V HA 0.030 4.152 4.120 0.004 0.000 0.252 15 V C 2.419 178.363 176.094 -0.250 0.000 1.067 15 V CA 1.610 63.769 62.300 -0.236 0.000 1.081 15 V CB -1.424 30.159 31.823 -0.400 0.000 0.686 15 V HN 0.521 nan 8.190 nan 0.000 0.468 16 A N 0.465 123.209 122.820 -0.126 0.000 2.070 16 A HA -0.148 4.174 4.320 0.004 0.000 0.220 16 A C 2.304 179.660 177.584 -0.381 0.000 1.159 16 A CA 1.931 53.836 52.037 -0.219 0.000 0.656 16 A CB -0.530 18.414 19.000 -0.093 0.000 0.800 16 A HN 0.665 nan 8.150 nan 0.000 0.453 17 K N -0.017 120.287 120.400 -0.161 0.000 1.969 17 K HA -0.144 4.178 4.320 0.004 0.000 0.216 17 K C -0.845 175.640 176.600 -0.191 0.000 1.048 17 K CA 1.721 57.959 56.287 -0.082 0.000 0.948 17 K CB -0.960 31.529 32.500 -0.018 0.000 0.726 17 K HN 0.263 nan 8.250 nan 0.000 0.442 18 P HA -0.223 nan 4.420 nan 0.000 0.219 18 P C 1.063 178.132 177.300 -0.385 0.000 1.158 18 P CA 1.743 64.361 63.100 -0.803 0.000 0.895 18 P CB -0.250 30.209 31.700 -2.067 0.000 0.792 19 Y N -1.711 118.441 120.300 -0.247 0.000 2.145 19 Y HA -0.173 4.379 4.550 0.004 0.000 0.286 19 Y C 2.560 178.577 175.900 0.195 0.000 1.145 19 Y CA 1.335 59.559 58.100 0.207 0.000 1.148 19 Y CB -1.364 37.120 38.460 0.041 0.000 0.981 19 Y HN -0.099 nan 8.280 nan 0.000 0.507 20 F N -0.987 119.116 119.950 0.256 0.000 2.010 20 F HA -0.293 4.236 4.527 0.004 0.000 0.296 20 F C 2.362 178.180 175.800 0.031 0.000 1.146 20 F CA 1.074 59.153 58.000 0.131 0.000 1.181 20 F CB -1.103 37.928 39.000 0.051 0.000 0.965 20 F HN -0.229 nan 8.300 nan 0.000 0.480 21 V N 0.414 120.418 119.914 0.149 0.000 2.233 21 V HA -0.401 3.721 4.120 0.004 0.000 0.252 21 V C 2.034 178.134 176.094 0.010 0.000 1.063 21 V CA 2.254 64.554 62.300 0.001 0.000 1.032 21 V CB -1.039 30.750 31.823 -0.056 0.000 0.645 21 V HN 0.331 nan 8.190 nan 0.000 0.446 22 F N 0.849 120.729 119.950 -0.116 0.000 2.120 22 F HA -0.252 4.278 4.527 0.004 0.000 0.300 22 F C 2.338 177.960 175.800 -0.297 0.000 1.095 22 F CA 1.671 59.514 58.000 -0.263 0.000 1.249 22 F CB -0.331 38.382 39.000 -0.477 0.000 0.995 22 F HN 0.101 nan 8.300 nan 0.000 0.480 23 A N 0.398 123.159 122.820 -0.099 0.000 1.902 23 A HA -0.168 4.154 4.320 0.004 0.000 0.217 23 A C 2.190 179.684 177.584 -0.151 0.000 1.181 23 A CA 1.787 53.827 52.037 0.005 0.000 0.623 23 A CB -1.122 18.108 19.000 0.383 0.000 0.818 23 A HN 0.482 nan 8.150 nan 0.000 0.443 24 L N -0.008 121.152 121.223 -0.106 0.000 1.989 24 L HA -0.224 4.119 4.340 0.004 0.000 0.211 24 L C 2.515 179.249 176.870 -0.227 0.000 1.071 24 L CA 1.156 55.919 54.840 -0.127 0.000 0.749 24 L CB -0.703 41.322 42.059 -0.057 0.000 0.890 24 L HN 0.358 nan 8.230 nan 0.000 0.431 25 I N 0.032 120.438 120.570 -0.272 0.000 2.087 25 I HA -0.357 3.815 4.170 0.004 0.000 0.240 25 I C 2.614 178.519 176.117 -0.354 0.000 1.054 25 I CA 1.922 63.035 61.300 -0.311 0.000 1.311 25 I CB -1.281 36.491 38.000 -0.381 0.000 1.024 25 I HN 0.302 nan 8.210 nan 0.000 0.402 26 L N -0.131 120.792 121.223 -0.499 0.000 2.042 26 L HA -0.249 4.093 4.340 0.004 0.000 0.210 26 L C 2.740 179.498 176.870 -0.187 0.000 1.076 26 L CA 1.674 56.292 54.840 -0.370 0.000 0.749 26 L CB -0.655 41.161 42.059 -0.406 0.000 0.893 26 L HN 0.214 nan 8.230 nan 0.000 0.432 27 F N 0.246 119.835 119.950 -0.602 0.000 2.171 27 F HA -0.206 4.323 4.527 0.003 0.000 0.300 27 F C 2.301 177.929 175.800 -0.287 0.000 1.090 27 F CA 1.020 58.560 58.000 -0.766 0.000 1.293 27 F CB 0.068 38.033 39.000 -1.725 0.000 1.013 27 F HN -0.231 nan 8.300 nan 0.000 0.486 28 V N 1.104 120.785 119.914 -0.390 0.000 2.282 28 V HA -0.343 3.779 4.120 0.004 0.000 0.249 28 V C 2.829 178.875 176.094 -0.080 0.000 1.057 28 V CA 2.056 64.195 62.300 -0.269 0.000 1.032 28 V CB -1.803 29.904 31.823 -0.193 0.000 0.645 28 V HN 0.597 nan 8.190 nan 0.000 0.447 29 G N -1.306 107.483 108.800 -0.018 0.000 2.476 29 G HA2 -0.381 3.582 3.960 0.004 0.000 0.218 29 G HA3 -0.381 3.582 3.960 0.004 0.000 0.218 29 G C 1.542 176.619 174.900 0.296 0.000 1.164 29 G CA 1.108 46.301 45.100 0.155 0.000 0.768 29 G HN 0.537 nan 8.290 nan 0.000 0.560 30 Q N -0.285 119.639 119.800 0.206 0.000 2.152 30 Q HA -0.152 4.190 4.340 0.004 0.000 0.206 30 Q C 2.551 178.770 176.000 0.366 0.000 0.985 30 Q CA 1.294 57.261 55.803 0.273 0.000 0.863 30 Q CB -0.143 28.756 28.738 0.268 0.000 0.904 30 Q HN 0.444 nan 8.270 nan 0.000 0.422 31 I N 0.712 121.417 120.570 0.224 0.000 2.193 31 I HA -0.256 3.916 4.170 0.004 0.000 0.240 31 I C 2.447 178.662 176.117 0.163 0.000 1.084 31 I CA 0.962 62.378 61.300 0.193 0.000 1.365 31 I CB -1.400 36.662 38.000 0.104 0.000 1.064 31 I HN 0.265 nan 8.210 nan 0.000 0.410 32 L N -0.203 121.084 121.223 0.107 0.000 2.043 32 L HA -0.242 4.100 4.340 0.004 0.000 0.212 32 L C 2.568 179.390 176.870 -0.080 0.000 1.075 32 L CA 1.690 56.514 54.840 -0.027 0.000 0.752 32 L CB -0.762 41.222 42.059 -0.125 0.000 0.891 32 L HN 0.062 nan 8.230 nan 0.000 0.432 33 F N -0.412 119.602 119.950 0.106 0.000 2.206 33 F HA -0.041 4.489 4.527 0.004 0.000 0.298 33 F C 2.517 178.320 175.800 0.006 0.000 1.090 33 F CA 1.137 59.191 58.000 0.089 0.000 1.323 33 F CB -1.104 37.967 39.000 0.118 0.000 1.028 33 F HN 0.015 nan 8.300 nan 0.000 0.492 34 G N 0.446 109.373 108.800 0.212 0.000 2.476 34 G HA2 -0.250 3.712 3.960 0.004 0.000 0.218 34 G HA3 -0.250 3.712 3.960 0.004 0.000 0.218 34 G C 1.746 176.578 174.900 -0.113 0.000 1.164 34 G CA 0.896 45.864 45.100 -0.220 0.000 0.768 34 G HN 0.309 nan 8.290 nan 0.000 0.560 35 L N 0.089 121.298 121.223 -0.024 0.000 2.187 35 L HA -0.048 4.294 4.340 0.004 0.000 0.213 35 L C 2.832 179.676 176.870 -0.043 0.000 1.100 35 L CA 0.514 55.327 54.840 -0.045 0.000 0.765 35 L CB -0.267 41.779 42.059 -0.022 0.000 0.904 35 L HN 0.263 nan 8.230 nan 0.000 0.437 36 I N -0.855 119.715 120.570 -0.001 0.000 2.163 36 I HA -0.319 3.853 4.170 0.004 0.000 0.240 36 I C 2.586 178.780 176.117 0.129 0.000 1.081 36 I CA 1.368 62.742 61.300 0.124 0.000 1.353 36 I CB -0.183 37.888 38.000 0.118 0.000 1.054 36 I HN 0.242 nan 8.210 nan 0.000 0.407 37 M N 0.350 119.975 119.600 0.042 0.000 2.080 37 M HA -0.165 4.318 4.480 0.004 0.000 0.260 37 M C 2.398 178.712 176.300 0.024 0.000 1.068 37 M CA 2.189 57.544 55.300 0.091 0.000 1.109 37 M CB -1.042 31.489 32.600 -0.116 0.000 1.342 37 M HN 0.374 nan 8.290 nan 0.000 0.405 38 G N 0.189 108.884 108.800 -0.175 0.000 2.462 38 G HA2 -0.196 3.766 3.960 0.004 0.000 0.220 38 G HA3 -0.196 3.766 3.960 0.004 0.000 0.220 38 G C 1.518 176.270 174.900 -0.248 0.000 1.121 38 G CA 0.430 45.347 45.100 -0.304 0.000 0.758 38 G HN 0.340 nan 8.290 nan 0.000 0.559 39 L N -0.369 120.746 121.223 -0.179 0.000 2.131 39 L HA 0.026 4.368 4.340 0.004 0.000 0.206 39 L C 2.884 179.671 176.870 -0.139 0.000 1.087 39 L CA 1.200 55.874 54.840 -0.277 0.000 0.767 39 L CB -0.352 41.433 42.059 -0.457 0.000 0.917 39 L HN 0.333 nan 8.230 nan 0.000 0.441 40 Q N -1.376 118.486 119.800 0.102 0.000 2.224 40 Q HA -0.219 4.123 4.340 0.004 0.000 0.203 40 Q C 1.932 177.997 176.000 0.108 0.000 0.970 40 Q CA 1.431 57.365 55.803 0.219 0.000 0.865 40 Q CB -0.125 28.861 28.738 0.413 0.000 0.922 40 Q HN 0.515 nan 8.270 nan 0.000 0.445 41 Y N -0.300 119.880 120.300 -0.199 0.000 2.114 41 Y HA -0.282 4.270 4.550 0.003 0.000 0.282 41 Y C 2.163 177.862 175.900 -0.335 0.000 1.165 41 Y CA 1.218 59.086 58.100 -0.386 0.000 1.148 41 Y CB 0.272 38.361 38.460 -0.617 0.000 0.972 41 Y HN 0.121 nan 8.280 nan 0.000 0.504 42 V N -4.188 115.587 119.914 -0.230 0.000 3.645 42 V HA 0.208 4.330 4.120 0.004 0.000 0.275 42 V C 0.177 176.173 176.094 -0.165 0.000 1.356 42 V CA -0.112 61.989 62.300 -0.331 0.000 1.051 42 V CB 0.302 31.593 31.823 -0.887 0.000 0.828 42 V HN -0.074 nan 8.190 nan 0.000 0.441 43 V N 1.994 121.843 119.914 -0.108 0.000 2.305 43 V HA 0.676 4.798 4.120 0.004 0.000 0.275 43 V C 1.400 177.543 176.094 0.082 0.000 1.020 43 V CA 0.515 62.836 62.300 0.036 0.000 0.811 43 V CB 0.510 32.382 31.823 0.080 0.000 1.031 43 V HN 0.314 nan 8.190 nan 0.000 0.439 44 G N 2.669 111.487 108.800 0.031 0.000 2.744 44 G HA2 -0.053 3.909 3.960 0.004 0.000 0.211 44 G HA3 -0.053 3.909 3.960 0.004 0.000 0.211 44 G C 0.538 175.431 174.900 -0.011 0.000 1.143 44 G CA 0.713 45.804 45.100 -0.016 0.000 0.788 44 G HN 0.805 nan 8.290 nan 0.000 0.534 45 D N -1.089 119.348 120.400 0.062 0.000 2.479 45 D HA 0.111 4.753 4.640 0.004 0.000 0.218 45 D C 0.372 176.804 176.300 0.219 0.000 1.177 45 D CA -1.147 52.898 54.000 0.075 0.000 0.830 45 D CB -0.687 40.141 40.800 0.047 0.000 1.014 45 D HN 0.172 nan 8.370 nan 0.000 0.503 46 F N 2.474 122.484 119.950 0.100 0.000 2.571 46 F HA 0.135 4.664 4.527 0.004 0.000 0.384 46 F C 1.130 177.017 175.800 0.145 0.000 1.058 46 F CA 0.079 58.144 58.000 0.108 0.000 1.200 46 F CB 0.349 39.395 39.000 0.077 0.000 1.077 46 F HN -0.011 nan 8.300 nan 0.000 0.558 47 L N 4.957 125.866 121.223 -0.522 0.000 4.759 47 L HA -0.326 4.016 4.340 0.004 0.000 0.419 47 L C -0.259 176.561 176.870 -0.082 0.000 1.093 47 L CA 0.232 54.804 54.840 -0.447 0.000 1.037 47 L CB -2.014 39.645 42.059 -0.667 0.000 2.095 47 L HN 0.617 nan 8.230 nan 0.000 0.739 48 F N 2.904 122.798 119.950 -0.093 0.000 2.396 48 F HA 0.404 4.934 4.527 0.005 0.000 0.343 48 F C -0.745 175.043 175.800 -0.019 0.000 1.104 48 F CA -1.252 56.735 58.000 -0.022 0.000 1.161 48 F CB 1.011 40.022 39.000 0.018 0.000 1.146 48 F HN -0.203 nan 8.300 nan 0.000 0.522 49 P HA 0.192 nan 4.420 nan 0.000 0.257 49 P C 0.939 177.931 177.300 -0.514 0.000 1.241 49 P CA 0.594 62.981 63.100 -1.188 0.000 0.816 49 P CB 0.172 31.351 31.700 -0.868 0.000 1.150 50 A N 0.849 123.511 122.820 -0.264 0.000 1.873 50 A HA -0.100 4.222 4.320 0.004 0.000 0.218 50 A C 1.345 178.880 177.584 -0.082 0.000 1.193 50 A CA 1.232 53.185 52.037 -0.141 0.000 0.629 50 A CB -0.969 17.969 19.000 -0.103 0.000 0.826 50 A HN 0.248 nan 8.150 nan 0.000 0.447 51 I N 0.447 120.985 120.570 -0.053 0.000 2.668 51 I HA 0.230 4.402 4.170 0.004 0.000 0.276 51 I C -2.670 173.500 176.117 0.088 0.000 1.139 51 I CA -2.116 59.200 61.300 0.027 0.000 1.133 51 I CB 1.840 39.868 38.000 0.048 0.000 1.327 51 I HN 0.056 nan 8.210 nan 0.000 0.520 52 P HA 0.014 nan 4.420 nan 0.000 0.271 52 P C 0.811 178.261 177.300 0.249 0.000 1.233 52 P CA -0.119 63.139 63.100 0.263 0.000 0.789 52 P CB 0.689 32.531 31.700 0.236 0.000 0.951 53 F N 2.337 122.378 119.950 0.151 0.000 2.147 53 F HA -0.309 4.221 4.527 0.005 0.000 0.301 53 F C 1.770 177.609 175.800 0.064 0.000 1.084 53 F CA 2.382 60.447 58.000 0.109 0.000 1.268 53 F CB -0.484 38.569 39.000 0.089 0.000 1.009 53 F HN 0.419 nan 8.300 nan 0.000 0.486 54 N N -0.801 117.965 118.700 0.111 0.000 2.396 54 N HA -0.111 4.631 4.740 0.004 0.000 0.180 54 N C 1.366 176.777 175.510 -0.167 0.000 1.028 54 N CA 1.221 54.245 53.050 -0.044 0.000 0.893 54 N CB -0.503 37.980 38.487 -0.007 0.000 0.967 54 N HN 0.228 nan 8.380 nan 0.000 0.440 55 V N 0.905 120.767 119.914 -0.087 0.000 2.273 55 V HA -0.055 4.067 4.120 0.004 0.000 0.242 55 V C 2.747 178.784 176.094 -0.095 0.000 1.035 55 V CA 1.651 63.901 62.300 -0.083 0.000 1.013 55 V CB -1.167 30.672 31.823 0.026 0.000 0.652 55 V HN 0.514 nan 8.190 nan 0.000 0.452 56 A N 0.006 122.816 122.820 -0.017 0.000 1.940 56 A HA -0.356 3.966 4.320 0.004 0.000 0.221 56 A C 2.379 179.912 177.584 -0.086 0.000 1.190 56 A CA 2.644 54.722 52.037 0.070 0.000 0.647 56 A CB -0.711 18.344 19.000 0.092 0.000 0.821 56 A HN 0.477 nan 8.150 nan 0.000 0.457 57 R N -0.442 119.874 120.500 -0.306 0.000 2.080 57 R HA -0.196 4.146 4.340 0.004 0.000 0.236 57 R C 2.482 178.710 176.300 -0.120 0.000 1.137 57 R CA 2.178 58.116 56.100 -0.271 0.000 0.943 57 R CB -0.409 29.646 30.300 -0.409 0.000 0.846 57 R HN 0.807 nan 8.270 nan 0.000 0.431 58 M N -0.950 118.515 119.600 -0.225 0.000 2.229 58 M HA -0.067 4.416 4.480 0.004 0.000 0.264 58 M C 1.845 178.033 176.300 -0.187 0.000 1.063 58 M CA 1.492 56.626 55.300 -0.277 0.000 1.114 58 M CB -0.293 31.963 32.600 -0.574 0.000 1.387 58 M HN -0.086 nan 8.290 nan 0.000 0.420 59 V N 1.125 120.931 119.914 -0.181 0.000 2.237 59 V HA -0.293 3.830 4.120 0.004 0.000 0.245 59 V C 2.626 178.682 176.094 -0.064 0.000 1.046 59 V CA 2.623 64.820 62.300 -0.173 0.000 1.007 59 V CB -1.287 30.162 31.823 -0.623 0.000 0.638 59 V HN 0.660 nan 8.190 nan 0.000 0.445 60 H N 1.107 120.128 119.070 -0.083 0.000 2.319 60 H HA -0.198 4.360 4.556 0.004 0.000 0.297 60 H C 2.374 177.731 175.328 0.049 0.000 1.097 60 H CA 2.654 58.729 56.048 0.044 0.000 1.285 60 H CB -0.240 29.564 29.762 0.070 0.000 1.368 60 H HN 0.586 nan 8.280 nan 0.000 0.495 61 T N -2.460 112.144 114.554 0.084 0.000 3.014 61 T HA -0.030 4.323 4.350 0.004 0.000 0.263 61 T C 1.747 176.472 174.700 0.041 0.000 1.078 61 T CA 1.014 63.139 62.100 0.042 0.000 1.135 61 T CB -0.129 68.909 68.868 0.283 0.000 0.895 61 T HN 0.278 nan 8.240 nan 0.000 0.480 62 N N 1.219 119.977 118.700 0.096 0.000 2.354 62 N HA 0.241 4.983 4.740 0.004 0.000 0.179 62 N C 1.717 177.295 175.510 0.114 0.000 1.021 62 N CA 0.481 53.623 53.050 0.153 0.000 0.887 62 N CB -0.424 38.229 38.487 0.277 0.000 0.974 62 N HN 0.350 nan 8.380 nan 0.000 0.437 63 L N 0.121 121.394 121.223 0.083 0.000 2.093 63 L HA -0.054 4.288 4.340 0.004 0.000 0.208 63 L C 2.165 179.163 176.870 0.215 0.000 1.085 63 L CA 0.574 55.490 54.840 0.127 0.000 0.755 63 L CB -0.347 41.776 42.059 0.107 0.000 0.904 63 L HN 0.226 nan 8.230 nan 0.000 0.435 64 L N 0.144 121.397 121.223 0.050 0.000 1.944 64 L HA -0.302 4.040 4.340 0.004 0.000 0.218 64 L C 2.603 179.238 176.870 -0.391 0.000 1.075 64 L CA 1.911 56.634 54.840 -0.195 0.000 0.767 64 L CB -0.229 41.581 42.059 -0.415 0.000 0.890 64 L HN 0.144 nan 8.230 nan 0.000 0.434 65 I N -0.905 119.531 120.570 -0.222 0.000 2.087 65 I HA -0.378 3.794 4.170 0.004 0.000 0.240 65 I C 2.408 178.472 176.117 -0.089 0.000 1.054 65 I CA 1.716 62.964 61.300 -0.087 0.000 1.311 65 I CB -0.412 37.646 38.000 0.096 0.000 1.024 65 I HN 0.120 nan 8.210 nan 0.000 0.402 66 V N 1.151 121.089 119.914 0.040 0.000 2.295 66 V HA -0.283 3.839 4.120 0.004 0.000 0.246 66 V C 2.155 178.363 176.094 0.189 0.000 1.049 66 V CA 2.271 64.658 62.300 0.145 0.000 1.024 66 V CB -0.957 30.979 31.823 0.188 0.000 0.648 66 V HN 0.720 nan 8.190 nan 0.000 0.447 67 W N 0.413 121.723 121.300 0.017 0.000 2.358 67 W HA -0.148 4.514 4.660 0.003 0.000 0.303 67 W C 1.887 178.347 176.519 -0.098 0.000 1.208 67 W CA 1.036 58.373 57.345 -0.014 0.000 1.274 67 W CB -0.903 28.514 29.460 -0.071 0.000 1.138 67 W HN 0.209 nan 8.180 nan 0.000 0.515 68 L N 1.090 121.774 121.223 -0.899 0.000 2.042 68 L HA -0.265 4.077 4.340 0.004 0.000 0.210 68 L C 2.945 179.159 176.870 -1.093 0.000 1.076 68 L CA 1.391 55.488 54.840 -1.239 0.000 0.749 68 L CB -0.945 40.327 42.059 -1.312 0.000 0.893 68 L HN 0.034 nan 8.230 nan 0.000 0.432 69 L N -1.446 119.401 121.223 -0.626 0.000 2.012 69 L HA -0.253 4.089 4.340 0.004 0.000 0.210 69 L C 2.588 179.352 176.870 -0.176 0.000 1.073 69 L CA 1.490 56.092 54.840 -0.397 0.000 0.748 69 L CB -0.628 41.352 42.059 -0.132 0.000 0.891 69 L HN 0.113 nan 8.230 nan 0.000 0.431 70 F N 0.366 120.306 119.950 -0.017 0.000 2.095 70 F HA -0.180 4.349 4.527 0.004 0.000 0.298 70 F C 2.523 178.406 175.800 0.139 0.000 1.104 70 F CA 1.609 59.706 58.000 0.163 0.000 1.232 70 F CB -1.110 38.007 39.000 0.195 0.000 0.987 70 F HN 0.046 nan 8.300 nan 0.000 0.475 71 G N 0.075 109.044 108.800 0.281 0.000 2.545 71 G HA2 -0.295 3.668 3.960 0.004 0.000 0.217 71 G HA3 -0.295 3.668 3.960 0.004 0.000 0.217 71 G C 1.578 176.620 174.900 0.237 0.000 1.218 71 G CA 1.084 46.361 45.100 0.295 0.000 0.787 71 G HN 0.162 nan 8.290 nan 0.000 0.571 72 F N 0.708 120.603 119.950 -0.092 0.000 2.024 72 F HA -0.181 4.349 4.527 0.004 0.000 0.296 72 F C 3.043 178.708 175.800 -0.225 0.000 1.137 72 F CA 1.436 59.309 58.000 -0.210 0.000 1.200 72 F CB -1.325 37.421 39.000 -0.423 0.000 0.954 72 F HN 0.073 nan 8.300 nan 0.000 0.497 73 M N -0.060 119.409 119.600 -0.218 0.000 2.226 73 M HA -0.259 4.223 4.480 0.004 0.000 0.257 73 M C 2.566 178.613 176.300 -0.422 0.000 1.070 73 M CA 2.285 57.194 55.300 -0.651 0.000 1.087 73 M CB -1.492 30.489 32.600 -1.032 0.000 1.278 73 M HN 0.328 nan 8.290 nan 0.000 0.426 74 G N -0.311 108.271 108.800 -0.364 0.000 2.574 74 G HA2 -0.286 3.676 3.960 0.004 0.000 0.220 74 G HA3 -0.286 3.676 3.960 0.004 0.000 0.220 74 G C 1.550 176.335 174.900 -0.191 0.000 1.173 74 G CA 1.653 46.484 45.100 -0.447 0.000 0.772 74 G HN 0.624 nan 8.290 nan 0.000 0.585 75 A N 1.192 124.102 122.820 0.151 0.000 1.873 75 A HA 0.109 4.431 4.320 0.004 0.000 0.218 75 A C 2.901 180.570 177.584 0.143 0.000 1.193 75 A CA 2.919 55.149 52.037 0.322 0.000 0.629 75 A CB -1.075 18.116 19.000 0.318 0.000 0.826 75 A HN 1.094 nan 8.150 nan 0.000 0.447 76 A N -1.478 121.355 122.820 0.021 0.000 1.865 76 A HA -0.158 4.164 4.320 0.004 0.000 0.217 76 A C 2.089 179.631 177.584 -0.070 0.000 1.191 76 A CA 1.827 53.823 52.037 -0.068 0.000 0.623 76 A CB -0.967 18.009 19.000 -0.040 0.000 0.826 76 A HN 0.578 nan 8.150 nan 0.000 0.444 77 Y N -1.939 118.353 120.300 -0.015 0.000 2.315 77 Y HA -0.210 4.342 4.550 0.004 0.000 0.288 77 Y C 2.196 178.076 175.900 -0.034 0.000 1.154 77 Y CA 1.128 59.188 58.100 -0.067 0.000 1.229 77 Y CB -0.805 37.553 38.460 -0.169 0.000 0.980 77 Y HN 0.565 nan 8.280 nan 0.000 0.540 78 Y N 0.286 120.633 120.300 0.079 0.000 2.159 78 Y HA -0.107 4.445 4.550 0.004 0.000 0.285 78 Y C 2.455 178.358 175.900 0.006 0.000 1.106 78 Y CA 1.578 59.735 58.100 0.094 0.000 1.095 78 Y CB -0.612 37.973 38.460 0.208 0.000 1.015 78 Y HN -0.003 nan 8.280 nan 0.000 0.491 79 L N -0.557 120.678 121.223 0.021 0.000 2.093 79 L HA -0.052 4.290 4.340 0.004 0.000 0.208 79 L C 2.036 178.685 176.870 -0.369 0.000 1.085 79 L CA 1.522 56.100 54.840 -0.435 0.000 0.755 79 L CB -1.840 39.564 42.059 -1.092 0.000 0.904 79 L HN 0.284 nan 8.230 nan 0.000 0.435 80 V N 1.889 121.661 119.914 -0.237 0.000 2.233 80 V HA -0.233 3.889 4.120 0.004 0.000 0.252 80 V C 0.303 176.296 176.094 -0.169 0.000 1.063 80 V CA 2.863 65.050 62.300 -0.188 0.000 1.032 80 V CB -1.935 29.782 31.823 -0.177 0.000 0.645 80 V HN 0.362 nan 8.190 nan 0.000 0.446 81 P HA -0.128 nan 4.420 nan 0.000 0.219 81 P C 1.592 178.795 177.300 -0.163 0.000 1.146 81 P CA 1.304 64.247 63.100 -0.262 0.000 0.808 81 P CB 0.000 31.523 31.700 -0.296 0.000 0.779 82 E N -0.576 119.636 120.200 0.021 0.000 2.046 82 E HA -0.150 4.202 4.350 0.004 0.000 0.190 82 E C 1.901 178.624 176.600 0.205 0.000 0.982 82 E CA 0.790 57.349 56.400 0.266 0.000 0.800 82 E CB -0.235 29.652 29.700 0.312 0.000 0.756 82 E HN 0.240 nan 8.360 nan 0.000 0.449 83 E N 0.596 120.852 120.200 0.092 0.000 2.051 83 E HA -0.108 4.244 4.350 0.004 0.000 0.192 83 E C 2.123 178.740 176.600 0.029 0.000 0.991 83 E CA 0.832 57.276 56.400 0.072 0.000 0.799 83 E CB -0.256 29.443 29.700 -0.002 0.000 0.748 83 E HN 0.006 nan 8.360 nan 0.000 0.449 84 S N 0.193 115.870 115.700 -0.039 0.000 2.481 84 S HA -0.113 4.359 4.470 0.004 0.000 0.231 84 S C 0.365 174.933 174.600 -0.052 0.000 0.996 84 S CA 0.841 59.001 58.200 -0.067 0.000 0.942 84 S CB -0.011 63.114 63.200 -0.126 0.000 0.768 84 S HN 0.236 nan 8.310 nan 0.000 0.520 85 D N -0.698 119.700 120.400 -0.003 0.000 3.099 85 D HA -0.152 4.490 4.640 0.004 0.000 0.213 85 D C -0.404 175.870 176.300 -0.043 0.000 1.121 85 D CA 0.979 55.051 54.000 0.120 0.000 0.951 85 D CB -1.683 39.185 40.800 0.113 0.000 1.102 85 D HN 0.602 nan 8.370 nan 0.000 0.423 86 C N -1.990 117.010 119.300 -0.500 0.000 3.285 86 C HA 0.724 5.186 4.460 0.004 0.000 0.325 86 C C 0.193 174.703 174.990 -0.800 0.000 1.304 86 C CA -1.240 57.446 59.018 -0.555 0.000 1.319 86 C CB 1.803 29.416 27.740 -0.212 0.000 1.640 86 C HN 0.122 nan 8.230 nan 0.000 0.477 87 E N 0.846 120.717 120.200 -0.548 0.000 2.508 87 E HA 0.099 4.452 4.350 0.004 0.000 0.266 87 E C -0.048 176.419 176.600 -0.222 0.000 1.010 87 E CA 0.244 56.447 56.400 -0.328 0.000 0.955 87 E CB 0.392 30.013 29.700 -0.131 0.000 0.946 87 E HN 0.731 nan 8.360 nan 0.000 0.454 88 L N 3.366 124.495 121.223 -0.157 0.000 2.461 88 L HA -0.076 4.266 4.340 0.004 0.000 0.272 88 L C 1.204 178.047 176.870 -0.044 0.000 1.197 88 L CA 0.370 55.163 54.840 -0.079 0.000 0.836 88 L CB 0.238 42.279 42.059 -0.028 0.000 1.105 88 L HN 0.579 nan 8.230 nan 0.000 0.477 89 Y N 2.455 122.685 120.300 -0.117 0.000 2.053 89 Y HA -0.167 4.385 4.550 0.004 0.000 0.277 89 Y C 1.121 176.976 175.900 -0.076 0.000 1.159 89 Y CA 1.859 59.883 58.100 -0.126 0.000 1.125 89 Y CB 0.182 38.514 38.460 -0.213 0.000 0.969 89 Y HN 0.594 nan 8.280 nan 0.000 0.492 90 S N -0.014 115.589 115.700 -0.160 0.000 2.746 90 S HA 0.329 4.801 4.470 0.004 0.000 0.273 90 S C -2.132 172.441 174.600 -0.045 0.000 1.172 90 S CA -1.481 56.596 58.200 -0.204 0.000 1.116 90 S CB 1.196 64.312 63.200 -0.140 0.000 1.057 90 S HN 0.040 nan 8.310 nan 0.000 0.483 91 P HA -0.113 nan 4.420 nan 0.000 0.217 91 P C 1.124 178.506 177.300 0.137 0.000 1.150 91 P CA 0.987 64.105 63.100 0.030 0.000 0.832 91 P CB 0.156 31.887 31.700 0.051 0.000 0.787 92 K N -0.366 120.093 120.400 0.099 0.000 2.148 92 K HA -0.073 4.249 4.320 0.004 0.000 0.204 92 K C 1.954 178.672 176.600 0.197 0.000 1.050 92 K CA 1.403 57.781 56.287 0.152 0.000 0.942 92 K CB -1.553 30.996 32.500 0.081 0.000 0.724 92 K HN 0.088 nan 8.250 nan 0.000 0.446 93 L N 0.139 121.461 121.223 0.165 0.000 2.156 93 L HA 0.058 4.400 4.340 0.004 0.000 0.208 93 L C 2.373 179.381 176.870 0.230 0.000 1.095 93 L CA 1.189 56.159 54.840 0.217 0.000 0.770 93 L CB -0.448 41.766 42.059 0.257 0.000 0.914 93 L HN 0.467 nan 8.230 nan 0.000 0.439 94 A N -0.768 122.130 122.820 0.131 0.000 1.872 94 A HA -0.232 4.090 4.320 0.004 0.000 0.214 94 A C 1.841 179.461 177.584 0.060 0.000 1.187 94 A CA 1.186 53.208 52.037 -0.025 0.000 0.614 94 A CB -0.885 17.788 19.000 -0.545 0.000 0.826 94 A HN 0.525 nan 8.150 nan 0.000 0.442 95 W N -0.363 120.979 121.300 0.070 0.000 2.354 95 W HA -0.132 4.530 4.660 0.004 0.000 0.315 95 W C 2.142 178.807 176.519 0.242 0.000 1.206 95 W CA 1.085 58.496 57.345 0.110 0.000 1.290 95 W CB -0.200 29.308 29.460 0.080 0.000 1.152 95 W HN 0.240 nan 8.180 nan 0.000 0.489 96 I N 0.680 121.525 120.570 0.458 0.000 2.118 96 I HA -0.311 3.861 4.170 0.004 0.000 0.241 96 I C 2.021 178.345 176.117 0.346 0.000 1.070 96 I CA 1.902 63.434 61.300 0.387 0.000 1.327 96 I CB -1.135 37.024 38.000 0.266 0.000 1.034 96 I HN 0.021 nan 8.210 nan 0.000 0.405 97 L N -0.545 120.859 121.223 0.301 0.000 2.042 97 L HA -0.288 4.054 4.340 0.004 0.000 0.210 97 L C 2.622 179.635 176.870 0.238 0.000 1.076 97 L CA 1.562 56.565 54.840 0.271 0.000 0.749 97 L CB -0.987 41.260 42.059 0.313 0.000 0.893 97 L HN 0.183 nan 8.230 nan 0.000 0.432 98 F N 0.167 120.118 119.950 0.001 0.000 2.045 98 F HA -0.342 4.187 4.527 0.004 0.000 0.297 98 F C 2.188 177.808 175.800 -0.299 0.000 1.114 98 F CA 2.076 59.833 58.000 -0.404 0.000 1.207 98 F CB -0.465 37.958 39.000 -0.961 0.000 0.964 98 F HN -0.030 nan 8.300 nan 0.000 0.486 99 W N -0.179 121.136 121.300 0.024 0.000 2.355 99 W HA -0.163 4.500 4.660 0.004 0.000 0.309 99 W C 2.391 178.870 176.519 -0.067 0.000 1.206 99 W CA 1.378 58.684 57.345 -0.065 0.000 1.284 99 W CB -1.119 28.402 29.460 0.101 0.000 1.145 99 W HN -0.166 nan 8.180 nan 0.000 0.502 100 V N 0.601 120.665 119.914 0.250 0.000 2.231 100 V HA -0.404 3.719 4.120 0.004 0.000 0.250 100 V C 1.908 178.103 176.094 0.168 0.000 1.058 100 V CA 2.158 64.565 62.300 0.178 0.000 1.022 100 V CB -1.277 30.640 31.823 0.156 0.000 0.640 100 V HN 0.272 nan 8.190 nan 0.000 0.445 101 F N 0.359 120.265 119.950 -0.074 0.000 2.134 101 F HA -0.200 4.330 4.527 0.004 0.000 0.299 101 F C 2.352 178.131 175.800 -0.034 0.000 1.097 101 F CA 1.085 59.023 58.000 -0.103 0.000 1.264 101 F CB -0.143 38.699 39.000 -0.264 0.000 1.001 101 F HN 0.170 nan 8.300 nan 0.000 0.479 102 A N 0.567 123.221 122.820 -0.276 0.000 1.858 102 A HA -0.166 4.156 4.320 0.004 0.000 0.216 102 A C 2.335 179.802 177.584 -0.195 0.000 1.190 102 A CA 1.700 53.357 52.037 -0.635 0.000 0.617 102 A CB -1.493 16.545 19.000 -1.602 0.000 0.827 102 A HN 0.488 nan 8.150 nan 0.000 0.443 103 A N -0.152 122.647 122.820 -0.035 0.000 1.917 103 A HA 0.032 4.354 4.320 0.004 0.000 0.219 103 A C 2.506 180.128 177.584 0.063 0.000 1.182 103 A CA 2.576 54.650 52.037 0.062 0.000 0.633 103 A CB -1.064 17.998 19.000 0.105 0.000 0.819 103 A HN 1.124 nan 8.150 nan 0.000 0.448 104 A N -0.704 122.174 122.820 0.098 0.000 1.873 104 A HA 0.189 4.511 4.320 0.004 0.000 0.215 104 A C 2.476 180.123 177.584 0.104 0.000 1.186 104 A CA 1.881 53.989 52.037 0.118 0.000 0.616 104 A CB -1.490 17.622 19.000 0.187 0.000 0.823 104 A HN 0.775 nan 8.150 nan 0.000 0.442 105 G N -0.239 108.637 108.800 0.126 0.000 2.491 105 G HA2 -0.195 3.767 3.960 0.004 0.000 0.218 105 G HA3 -0.195 3.767 3.960 0.004 0.000 0.218 105 G C 1.540 176.471 174.900 0.051 0.000 1.180 105 G CA 1.626 46.785 45.100 0.099 0.000 0.774 105 G HN 0.345 nan 8.290 nan 0.000 0.562 106 V N 0.680 120.633 119.914 0.066 0.000 2.261 106 V HA -0.124 3.998 4.120 0.004 0.000 0.246 106 V C 2.831 178.929 176.094 0.007 0.000 1.047 106 V CA 1.339 63.671 62.300 0.055 0.000 1.015 106 V CB -0.624 31.255 31.823 0.094 0.000 0.642 106 V HN 0.214 nan 8.190 nan 0.000 0.446 107 L N 0.398 121.624 121.223 0.006 0.000 2.043 107 L HA -0.197 4.145 4.340 0.004 0.000 0.212 107 L C 2.777 179.594 176.870 -0.089 0.000 1.075 107 L CA 2.715 57.541 54.840 -0.024 0.000 0.752 107 L CB -1.431 40.623 42.059 -0.008 0.000 0.891 107 L HN 0.568 nan 8.230 nan 0.000 0.432 108 T N -1.559 112.921 114.554 -0.122 0.000 2.857 108 T HA -0.095 4.257 4.350 0.004 0.000 0.266 108 T C 2.007 176.382 174.700 -0.542 0.000 1.048 108 T CA 0.671 62.595 62.100 -0.294 0.000 1.139 108 T CB -0.005 68.726 68.868 -0.229 0.000 0.874 108 T HN 0.086 nan 8.240 nan 0.000 0.455 109 I N 1.289 121.680 120.570 -0.299 0.000 2.194 109 I HA -0.113 4.060 4.170 0.004 0.000 0.246 109 I C 2.492 178.534 176.117 -0.126 0.000 1.093 109 I CA 1.222 62.407 61.300 -0.191 0.000 1.355 109 I CB -1.295 36.675 38.000 -0.049 0.000 1.046 109 I HN 0.373 nan 8.210 nan 0.000 0.413 110 L N 0.339 121.503 121.223 -0.098 0.000 2.017 110 L HA -0.134 4.208 4.340 0.004 0.000 0.208 110 L C 2.708 179.560 176.870 -0.030 0.000 1.073 110 L CA 1.528 56.348 54.840 -0.033 0.000 0.745 110 L CB -1.087 40.961 42.059 -0.018 0.000 0.894 110 L HN 0.285 nan 8.230 nan 0.000 0.432 111 G N -0.710 108.030 108.800 -0.100 0.000 2.513 111 G HA2 -0.335 3.627 3.960 0.004 0.000 0.219 111 G HA3 -0.335 3.627 3.960 0.004 0.000 0.219 111 G C 1.284 176.210 174.900 0.044 0.000 1.160 111 G CA 0.941 45.997 45.100 -0.073 0.000 0.767 111 G HN 0.245 nan 8.290 nan 0.000 0.571 112 Y N 0.515 120.837 120.300 0.037 0.000 2.193 112 Y HA -0.038 4.514 4.550 0.004 0.000 0.285 112 Y C 2.749 178.682 175.900 0.055 0.000 1.166 112 Y CA 0.626 58.768 58.100 0.070 0.000 1.181 112 Y CB -0.699 37.789 38.460 0.047 0.000 0.976 112 Y HN 0.138 nan 8.280 nan 0.000 0.520 113 L N -1.981 119.354 121.223 0.187 0.000 2.202 113 L HA -0.061 4.282 4.340 0.004 0.000 0.205 113 L C 1.514 178.439 176.870 0.092 0.000 1.083 113 L CA 0.313 55.231 54.840 0.130 0.000 0.790 113 L CB -0.242 41.886 42.059 0.115 0.000 0.942 113 L HN 0.103 nan 8.230 nan 0.000 0.452 114 L N -0.761 120.504 121.223 0.071 0.000 2.607 114 L HA 0.226 4.568 4.340 0.004 0.000 0.228 114 L C 0.092 176.984 176.870 0.037 0.000 1.123 114 L CA 0.503 55.370 54.840 0.045 0.000 0.890 114 L CB 0.709 42.786 42.059 0.030 0.000 1.103 114 L HN -0.036 nan 8.230 nan 0.000 0.468 115 V N -1.425 118.520 119.914 0.052 0.000 2.817 115 V HA 0.559 4.681 4.120 0.004 0.000 0.303 115 V C -2.715 173.421 176.094 0.070 0.000 1.151 115 V CA -1.749 60.576 62.300 0.042 0.000 0.929 115 V CB 2.309 34.144 31.823 0.020 0.000 1.030 115 V HN -0.087 nan 8.190 nan 0.000 0.427 116 P HA 0.172 nan 4.420 nan 0.000 0.265 116 P C 0.202 177.575 177.300 0.122 0.000 1.193 116 P CA 0.298 63.451 63.100 0.088 0.000 0.765 116 P CB 0.238 31.971 31.700 0.054 0.000 0.823 117 Y N 3.432 123.757 120.300 0.041 0.000 2.139 117 Y HA -0.360 4.192 4.550 0.004 0.000 0.282 117 Y C 2.266 178.193 175.900 0.045 0.000 1.179 117 Y CA 2.362 60.494 58.100 0.052 0.000 1.161 117 Y CB -0.362 38.117 38.460 0.031 0.000 0.970 117 Y HN 0.455 nan 8.280 nan 0.000 0.511 118 A N -0.554 122.336 122.820 0.116 0.000 1.929 118 A HA -0.039 4.283 4.320 0.004 0.000 0.216 118 A C 2.435 180.010 177.584 -0.015 0.000 1.176 118 A CA 1.399 53.466 52.037 0.049 0.000 0.628 118 A CB -1.513 17.534 19.000 0.078 0.000 0.816 118 A HN 0.546 nan 8.150 nan 0.000 0.444 119 G N -0.233 108.565 108.800 -0.004 0.000 2.432 119 G HA2 -0.119 3.843 3.960 0.004 0.000 0.219 119 G HA3 -0.119 3.843 3.960 0.004 0.000 0.219 119 G C 1.442 176.315 174.900 -0.046 0.000 1.135 119 G CA 1.164 46.255 45.100 -0.015 0.000 0.767 119 G HN 0.480 nan 8.290 nan 0.000 0.550 120 L N 1.223 122.395 121.223 -0.085 0.000 2.141 120 L HA 0.259 4.602 4.340 0.004 0.000 0.209 120 L C 2.954 179.725 176.870 -0.166 0.000 1.094 120 L CA 1.732 56.496 54.840 -0.127 0.000 0.763 120 L CB -0.637 41.324 42.059 -0.164 0.000 0.908 120 L HN 0.219 nan 8.230 nan 0.000 0.437 121 A N -0.121 122.576 122.820 -0.205 0.000 1.841 121 A HA -0.259 4.063 4.320 0.004 0.000 0.216 121 A C 2.440 179.985 177.584 -0.065 0.000 1.199 121 A CA 1.984 53.933 52.037 -0.147 0.000 0.621 121 A CB -0.669 18.269 19.000 -0.104 0.000 0.835 121 A HN 0.456 nan 8.150 nan 0.000 0.445 122 R N -1.104 119.372 120.500 -0.041 0.000 2.112 122 R HA -0.189 4.153 4.340 0.004 0.000 0.242 122 R C 2.233 178.523 176.300 -0.017 0.000 1.137 122 R CA 1.866 57.956 56.100 -0.017 0.000 0.944 122 R CB -0.681 29.614 30.300 -0.009 0.000 0.857 122 R HN 0.574 nan 8.270 nan 0.000 0.435 123 L N 0.621 121.827 121.223 -0.029 0.000 2.127 123 L HA -0.157 4.185 4.340 0.004 0.000 0.211 123 L C 1.773 178.630 176.870 -0.021 0.000 1.089 123 L CA 1.825 56.651 54.840 -0.023 0.000 0.757 123 L CB -0.181 41.861 42.059 -0.030 0.000 0.899 123 L HN 0.380 nan 8.230 nan 0.000 0.434 124 T N -3.712 110.823 114.554 -0.032 0.000 3.186 124 T HA 0.276 4.628 4.350 0.004 0.000 0.257 124 T C 1.108 175.806 174.700 -0.003 0.000 1.029 124 T CA 0.115 62.201 62.100 -0.023 0.000 0.916 124 T CB -0.063 68.780 68.868 -0.043 0.000 1.041 124 T HN 0.459 nan 8.240 nan 0.000 0.562 125 G N 2.558 111.362 108.800 0.005 0.000 2.395 125 G HA2 -0.348 3.615 3.960 0.004 0.000 0.292 125 G HA3 -0.348 3.615 3.960 0.004 0.000 0.292 125 G C 0.781 175.706 174.900 0.042 0.000 0.953 125 G CA 0.501 45.617 45.100 0.027 0.000 1.207 125 G HN 0.589 nan 8.290 nan 0.000 0.503 126 N N -0.385 118.328 118.700 0.022 0.000 2.166 126 N HA -0.141 4.601 4.740 0.004 0.000 0.186 126 N C 1.992 177.550 175.510 0.081 0.000 1.019 126 N CA 1.336 54.410 53.050 0.039 0.000 0.856 126 N CB -0.021 38.469 38.487 0.006 0.000 0.993 126 N HN 0.468 nan 8.380 nan 0.000 0.426 127 E N 1.184 121.421 120.200 0.062 0.000 2.197 127 E HA -0.212 4.141 4.350 0.004 0.000 0.205 127 E C 2.028 178.686 176.600 0.097 0.000 1.029 127 E CA 0.895 57.336 56.400 0.068 0.000 0.828 127 E CB -0.487 29.242 29.700 0.048 0.000 0.737 127 E HN 0.503 nan 8.360 nan 0.000 0.464 128 L N -2.259 119.040 121.223 0.126 0.000 2.072 128 L HA -0.080 4.262 4.340 0.004 0.000 0.205 128 L C 1.100 178.118 176.870 0.245 0.000 1.079 128 L CA 0.681 55.615 54.840 0.157 0.000 0.752 128 L CB -0.073 42.089 42.059 0.171 0.000 0.906 128 L HN 0.187 nan 8.230 nan 0.000 0.436 129 W N 2.171 123.496 121.300 0.043 0.000 1.752 129 W HA 0.328 4.991 4.660 0.004 0.000 0.308 129 W C -2.806 173.750 176.519 0.060 0.000 0.978 129 W CA -2.966 54.415 57.345 0.061 0.000 1.401 129 W CB 0.285 29.794 29.460 0.082 0.000 1.522 129 W HN -0.211 nan 8.180 nan 0.000 0.359 130 P HA 0.103 nan 4.420 nan 0.000 0.263 130 P C 0.630 178.030 177.300 0.166 0.000 1.195 130 P CA 0.981 64.190 63.100 0.181 0.000 0.762 130 P CB 1.113 32.891 31.700 0.131 0.000 0.799 131 T N -1.510 113.080 114.554 0.060 0.000 3.147 131 T HA 0.199 4.551 4.350 0.004 0.000 0.275 131 T C 0.805 175.508 174.700 0.005 0.000 0.879 131 T CA -0.171 61.925 62.100 -0.007 0.000 0.863 131 T CB -0.133 68.639 68.868 -0.160 0.000 1.236 131 T HN 0.135 nan 8.240 nan 0.000 0.582 132 M N 1.477 121.107 119.600 0.050 0.000 2.202 132 M HA 0.485 4.967 4.480 0.004 0.000 0.316 132 M C 1.504 177.919 176.300 0.192 0.000 1.138 132 M CA 1.279 56.666 55.300 0.145 0.000 1.151 132 M CB 0.368 33.044 32.600 0.127 0.000 1.422 132 M HN 0.546 nan 8.290 nan 0.000 0.471 133 G N 1.392 110.353 108.800 0.269 0.000 2.132 133 G HA2 -0.221 3.741 3.960 0.004 0.000 0.234 133 G HA3 -0.221 3.741 3.960 0.004 0.000 0.234 133 G C -0.184 174.695 174.900 -0.035 0.000 0.989 133 G CA -0.203 44.951 45.100 0.090 0.000 0.676 133 G HN 0.638 nan 8.290 nan 0.000 0.522 134 R N 0.207 120.705 120.500 -0.002 0.000 2.514 134 R HA 0.477 4.819 4.340 0.004 0.000 0.301 134 R C 0.285 176.582 176.300 -0.005 0.000 0.962 134 R CA -0.773 55.313 56.100 -0.022 0.000 0.882 134 R CB 1.357 31.703 30.300 0.076 0.000 1.143 134 R HN 0.382 nan 8.270 nan 0.000 0.452 135 E N 2.333 122.459 120.200 -0.124 0.000 2.529 135 E HA -0.152 4.200 4.350 0.004 0.000 0.259 135 E C -0.463 176.032 176.600 -0.176 0.000 0.966 135 E CA 0.404 56.607 56.400 -0.328 0.000 0.937 135 E CB 0.198 29.538 29.700 -0.602 0.000 0.923 135 E HN 0.515 nan 8.360 nan 0.000 0.468 136 F N 1.241 121.272 119.950 0.134 0.000 2.825 136 F HA -0.282 4.247 4.527 0.003 0.000 0.358 136 F C 0.452 176.299 175.800 0.077 0.000 0.639 136 F CA 0.606 58.653 58.000 0.079 0.000 1.153 136 F CB -1.513 37.498 39.000 0.019 0.000 1.610 136 F HN 0.536 nan 8.300 nan 0.000 0.305 137 L N -0.507 120.823 121.223 0.179 0.000 3.255 137 L HA 0.304 4.646 4.340 0.004 0.000 0.293 137 L C 0.969 177.918 176.870 0.133 0.000 1.302 137 L CA -0.136 54.778 54.840 0.122 0.000 0.977 137 L CB 0.367 42.446 42.059 0.032 0.000 1.390 137 L HN -0.077 nan 8.230 nan 0.000 0.588 138 E N 0.005 120.312 120.200 0.178 0.000 2.481 138 E HA -0.052 4.301 4.350 0.004 0.000 0.195 138 E C 0.730 177.597 176.600 0.445 0.000 1.047 138 E CA 0.149 56.715 56.400 0.275 0.000 0.867 138 E CB 0.141 29.875 29.700 0.058 0.000 0.858 138 E HN 0.407 nan 8.360 nan 0.000 0.513 139 Q N 1.034 121.050 119.800 0.360 0.000 2.364 139 Q HA 0.184 4.527 4.340 0.004 0.000 0.267 139 Q C -2.398 173.673 176.000 0.120 0.000 0.999 139 Q CA -2.156 53.816 55.803 0.282 0.000 0.886 139 Q CB -0.154 28.715 28.738 0.219 0.000 1.243 139 Q HN -0.131 nan 8.270 nan 0.000 0.415 140 P HA 0.023 nan 4.420 nan 0.000 0.269 140 P C 0.442 177.713 177.300 -0.048 0.000 1.215 140 P CA 0.066 63.151 63.100 -0.024 0.000 0.780 140 P CB 0.384 32.054 31.700 -0.050 0.000 0.898 141 T N 1.337 115.834 114.554 -0.094 0.000 2.778 141 T HA -0.141 4.212 4.350 0.004 0.000 0.269 141 T C 1.654 176.295 174.700 -0.098 0.000 1.050 141 T CA 1.202 63.196 62.100 -0.177 0.000 1.137 141 T CB -0.585 68.123 68.868 -0.267 0.000 0.860 141 T HN 0.330 nan 8.240 nan 0.000 0.468 142 I N 1.578 122.120 120.570 -0.046 0.000 2.202 142 I HA -0.091 4.081 4.170 0.004 0.000 0.242 142 I C 2.591 178.726 176.117 0.030 0.000 1.091 142 I CA 1.120 62.418 61.300 -0.003 0.000 1.368 142 I CB -1.581 36.420 38.000 0.001 0.000 1.058 142 I HN 0.188 nan 8.210 nan 0.000 0.410 143 S N 1.005 116.720 115.700 0.025 0.000 2.382 143 S HA -0.151 4.321 4.470 0.004 0.000 0.228 143 S C 1.941 176.605 174.600 0.107 0.000 1.027 143 S CA 1.159 59.394 58.200 0.058 0.000 0.991 143 S CB -0.156 63.072 63.200 0.046 0.000 0.823 143 S HN 0.435 nan 8.310 nan 0.000 0.469 144 K N 1.502 121.965 120.400 0.105 0.000 2.009 144 K HA -0.099 4.223 4.320 0.004 0.000 0.210 144 K C 2.470 179.302 176.600 0.386 0.000 1.049 144 K CA 1.387 57.799 56.287 0.208 0.000 0.929 144 K CB -0.439 31.931 32.500 -0.217 0.000 0.714 144 K HN 0.353 nan 8.250 nan 0.000 0.440 145 A N 1.405 124.423 122.820 0.330 0.000 1.908 145 A HA -0.118 4.204 4.320 0.004 0.000 0.218 145 A C 2.451 180.120 177.584 0.141 0.000 1.181 145 A CA 2.039 54.234 52.037 0.263 0.000 0.627 145 A CB -1.314 17.750 19.000 0.107 0.000 0.818 145 A HN 0.453 nan 8.150 nan 0.000 0.445 146 G N 0.259 109.117 108.800 0.096 0.000 2.514 146 G HA2 -0.274 3.688 3.960 0.004 0.000 0.217 146 G HA3 -0.274 3.688 3.960 0.004 0.000 0.217 146 G C 1.523 176.415 174.900 -0.015 0.000 1.198 146 G CA 1.273 46.403 45.100 0.050 0.000 0.780 146 G HN 0.479 nan 8.290 nan 0.000 0.565 147 I N 0.184 120.736 120.570 -0.030 0.000 2.194 147 I HA -0.216 3.956 4.170 0.004 0.000 0.246 147 I C 2.822 178.814 176.117 -0.208 0.000 1.093 147 I CA 0.721 61.879 61.300 -0.237 0.000 1.355 147 I CB -0.302 37.529 38.000 -0.282 0.000 1.046 147 I HN 0.066 nan 8.210 nan 0.000 0.413 148 V N 0.890 120.835 119.914 0.051 0.000 2.261 148 V HA -0.284 3.838 4.120 0.004 0.000 0.246 148 V C 2.281 178.387 176.094 0.020 0.000 1.047 148 V CA 2.032 64.404 62.300 0.120 0.000 1.015 148 V CB -0.336 31.665 31.823 0.297 0.000 0.642 148 V HN 0.308 nan 8.190 nan 0.000 0.446 149 I N -0.546 120.032 120.570 0.012 0.000 2.127 149 I HA -0.239 3.934 4.170 0.004 0.000 0.241 149 I C 2.387 178.491 176.117 -0.021 0.000 1.075 149 I CA 1.415 62.715 61.300 0.001 0.000 1.334 149 I CB -0.521 37.486 38.000 0.013 0.000 1.040 149 I HN 0.129 nan 8.210 nan 0.000 0.405 150 V N 1.109 120.970 119.914 -0.089 0.000 2.282 150 V HA -0.374 3.748 4.120 0.004 0.000 0.249 150 V C 2.750 178.774 176.094 -0.117 0.000 1.057 150 V CA 2.155 64.369 62.300 -0.142 0.000 1.032 150 V CB -1.232 30.356 31.823 -0.392 0.000 0.645 150 V HN 0.542 nan 8.190 nan 0.000 0.447 151 A N -0.149 122.558 122.820 -0.189 0.000 1.873 151 A HA -0.241 4.081 4.320 0.004 0.000 0.218 151 A C 2.230 179.872 177.584 0.095 0.000 1.193 151 A CA 2.336 54.335 52.037 -0.063 0.000 0.629 151 A CB -0.708 18.234 19.000 -0.098 0.000 0.826 151 A HN 0.513 nan 8.150 nan 0.000 0.447 152 L N -0.886 120.372 121.223 0.057 0.000 2.042 152 L HA -0.155 4.188 4.340 0.004 0.000 0.210 152 L C 2.862 179.793 176.870 0.101 0.000 1.076 152 L CA 1.162 56.040 54.840 0.062 0.000 0.749 152 L CB -0.951 41.122 42.059 0.024 0.000 0.893 152 L HN 0.530 nan 8.230 nan 0.000 0.432 153 G N -0.251 108.621 108.800 0.120 0.000 2.418 153 G HA2 -0.333 3.629 3.960 0.004 0.000 0.217 153 G HA3 -0.333 3.629 3.960 0.004 0.000 0.217 153 G C 1.522 176.591 174.900 0.282 0.000 1.158 153 G CA 0.742 45.964 45.100 0.203 0.000 0.771 153 G HN 0.374 nan 8.290 nan 0.000 0.545 154 F N 1.151 121.145 119.950 0.073 0.000 2.102 154 F HA -0.011 4.518 4.527 0.004 0.000 0.298 154 F C 2.445 178.217 175.800 -0.046 0.000 1.105 154 F CA 1.219 59.224 58.000 0.007 0.000 1.239 154 F CB -0.135 38.792 39.000 -0.121 0.000 0.991 154 F HN 0.043 nan 8.300 nan 0.000 0.474 155 L N -0.535 120.531 121.223 -0.262 0.000 2.012 155 L HA -0.234 4.108 4.340 0.004 0.000 0.210 155 L C 2.485 179.234 176.870 -0.200 0.000 1.073 155 L CA 1.856 56.489 54.840 -0.345 0.000 0.748 155 L CB -1.054 40.943 42.059 -0.103 0.000 0.891 155 L HN 0.297 nan 8.230 nan 0.000 0.431 156 F N 1.306 121.151 119.950 -0.175 0.000 2.065 156 F HA -0.344 4.185 4.527 0.004 0.000 0.298 156 F C 2.588 178.303 175.800 -0.141 0.000 1.112 156 F CA 2.043 59.961 58.000 -0.136 0.000 1.212 156 F CB -0.214 38.748 39.000 -0.062 0.000 0.975 156 F HN 0.127 nan 8.300 nan 0.000 0.476 157 N N 0.436 119.062 118.700 -0.123 0.000 2.069 157 N HA -0.194 4.548 4.740 0.004 0.000 0.191 157 N C 1.785 177.196 175.510 -0.164 0.000 1.031 157 N CA 1.805 54.812 53.050 -0.072 0.000 0.852 157 N CB -0.672 37.947 38.487 0.221 0.000 1.018 157 N HN 0.334 nan 8.380 nan 0.000 0.423 158 V N -0.142 119.562 119.914 -0.350 0.000 2.535 158 V HA 0.120 4.242 4.120 0.004 0.000 0.246 158 V C 2.042 177.926 176.094 -0.349 0.000 1.045 158 V CA 1.708 63.762 62.300 -0.411 0.000 1.058 158 V CB -0.631 30.732 31.823 -0.768 0.000 0.689 158 V HN 0.434 nan 8.190 nan 0.000 0.461 159 G N -0.609 107.978 108.800 -0.356 0.000 2.408 159 G HA2 -0.218 3.744 3.960 0.004 0.000 0.217 159 G HA3 -0.218 3.744 3.960 0.004 0.000 0.217 159 G C 1.512 176.254 174.900 -0.262 0.000 1.150 159 G CA 0.846 45.787 45.100 -0.265 0.000 0.776 159 G HN 0.344 nan 8.290 nan 0.000 0.542 160 M N 1.263 120.636 119.600 -0.378 0.000 2.267 160 M HA -0.051 4.432 4.480 0.004 0.000 0.263 160 M C 2.459 178.587 176.300 -0.287 0.000 1.063 160 M CA 1.207 56.232 55.300 -0.459 0.000 1.090 160 M CB -1.248 30.797 32.600 -0.926 0.000 1.392 160 M HN 0.167 nan 8.290 nan 0.000 0.422 161 T N -0.436 113.989 114.554 -0.216 0.000 3.023 161 T HA 0.025 4.378 4.350 0.004 0.000 0.266 161 T C 1.814 176.430 174.700 -0.139 0.000 1.093 161 T CA 0.658 62.674 62.100 -0.139 0.000 1.129 161 T CB 0.034 68.834 68.868 -0.114 0.000 0.899 161 T HN 0.200 nan 8.240 nan 0.000 0.491 162 V N 0.908 120.733 119.914 -0.149 0.000 3.590 162 V HA 0.188 4.310 4.120 0.004 0.000 0.265 162 V C 2.114 178.149 176.094 -0.097 0.000 1.239 162 V CA 0.423 62.654 62.300 -0.117 0.000 1.117 162 V CB -0.516 31.238 31.823 -0.115 0.000 0.818 162 V HN 0.411 nan 8.190 nan 0.000 0.451 163 L N 0.490 121.645 121.223 -0.114 0.000 1.993 163 L HA 0.026 4.368 4.340 0.004 0.000 0.206 163 L C 1.515 178.341 176.870 -0.074 0.000 1.074 163 L CA 0.946 55.732 54.840 -0.091 0.000 0.746 163 L CB -0.490 41.505 42.059 -0.106 0.000 0.896 163 L HN 0.372 nan 8.230 nan 0.000 0.435 164 R N 1.917 122.368 120.500 -0.082 0.000 2.537 164 R HA 0.411 4.753 4.340 0.004 0.000 0.280 164 R C 0.107 176.372 176.300 -0.059 0.000 1.058 164 R CA 0.667 56.733 56.100 -0.056 0.000 1.057 164 R CB -0.430 29.845 30.300 -0.042 0.000 0.973 164 R HN 0.347 nan 8.270 nan 0.000 0.438 165 G N 1.879 110.654 108.800 -0.042 0.000 2.662 165 G HA2 -0.189 3.773 3.960 0.004 0.000 0.686 165 G HA3 -0.189 3.773 3.960 0.004 0.000 0.686 165 G C -0.765 174.118 174.900 -0.027 0.000 1.271 165 G CA -0.841 44.235 45.100 -0.040 0.000 0.816 165 G HN 0.672 nan 8.290 nan 0.000 0.608 166 R N 0.012 120.506 120.500 -0.011 0.000 2.644 166 R HA 0.086 4.428 4.340 0.004 0.000 0.265 166 R C 0.118 176.413 176.300 -0.009 0.000 0.985 166 R CA 0.690 56.792 56.100 0.003 0.000 1.097 166 R CB 0.208 30.521 30.300 0.023 0.000 0.931 166 R HN 0.455 nan 8.270 nan 0.000 0.419 167 K N 1.794 122.194 120.400 0.000 0.000 2.414 167 K HA 0.107 4.430 4.320 0.004 0.000 0.251 167 K C 0.133 176.741 176.600 0.015 0.000 1.037 167 K CA -0.286 56.000 56.287 -0.002 0.000 0.980 167 K CB 1.501 34.000 32.500 -0.001 0.000 1.280 167 K HN 0.604 nan 8.250 nan 0.000 0.451 168 T N -1.211 113.351 114.554 0.013 0.000 2.754 168 T HA 0.287 4.639 4.350 0.004 0.000 0.286 168 T C 1.361 176.070 174.700 0.016 0.000 0.997 168 T CA -0.287 61.830 62.100 0.027 0.000 0.982 168 T CB 1.429 70.321 68.868 0.041 0.000 1.027 168 T HN 0.379 nan 8.240 nan 0.000 0.529 169 A N 0.188 123.013 122.820 0.009 0.000 1.970 169 A HA 0.164 4.486 4.320 0.004 0.000 0.216 169 A C 2.350 179.862 177.584 -0.118 0.000 1.170 169 A CA 0.652 52.657 52.037 -0.052 0.000 0.645 169 A CB -0.950 17.982 19.000 -0.113 0.000 0.816 169 A HN 0.850 nan 8.150 nan 0.000 0.447 170 I N 0.856 121.392 120.570 -0.057 0.000 2.127 170 I HA -0.318 3.854 4.170 0.004 0.000 0.241 170 I C 3.005 179.089 176.117 -0.056 0.000 1.075 170 I CA 1.850 63.129 61.300 -0.035 0.000 1.334 170 I CB -0.316 37.724 38.000 0.066 0.000 1.040 170 I HN 0.522 nan 8.210 nan 0.000 0.405 171 S N 0.814 116.485 115.700 -0.048 0.000 2.348 171 S HA -0.226 4.247 4.470 0.004 0.000 0.221 171 S C 2.091 176.646 174.600 -0.074 0.000 1.033 171 S CA 1.075 59.230 58.200 -0.076 0.000 1.010 171 S CB -0.520 62.635 63.200 -0.075 0.000 0.891 171 S HN 0.237 nan 8.310 nan 0.000 0.442 172 M N 1.394 120.966 119.600 -0.047 0.000 2.089 172 M HA -0.073 4.410 4.480 0.004 0.000 0.257 172 M C 2.388 178.670 176.300 -0.030 0.000 1.071 172 M CA 1.315 56.601 55.300 -0.023 0.000 1.096 172 M CB -1.606 31.011 32.600 0.028 0.000 1.330 172 M HN 0.310 nan 8.290 nan 0.000 0.403 173 V N -0.059 119.818 119.914 -0.061 0.000 2.379 173 V HA -0.189 3.933 4.120 0.004 0.000 0.245 173 V C 2.450 178.500 176.094 -0.073 0.000 1.044 173 V CA 1.022 63.282 62.300 -0.067 0.000 1.036 173 V CB -0.607 31.122 31.823 -0.157 0.000 0.664 173 V HN 0.444 nan 8.190 nan 0.000 0.453 174 L N -0.734 120.433 121.223 -0.093 0.000 2.093 174 L HA -0.150 4.192 4.340 0.004 0.000 0.208 174 L C 2.480 179.275 176.870 -0.125 0.000 1.085 174 L CA 1.967 56.735 54.840 -0.120 0.000 0.755 174 L CB -0.371 41.612 42.059 -0.126 0.000 0.904 174 L HN 0.272 nan 8.230 nan 0.000 0.435 175 M N -0.229 119.303 119.600 -0.113 0.000 2.080 175 M HA -0.177 4.305 4.480 0.004 0.000 0.260 175 M C 2.265 178.521 176.300 -0.073 0.000 1.068 175 M CA 1.989 57.221 55.300 -0.114 0.000 1.109 175 M CB -1.672 30.862 32.600 -0.109 0.000 1.342 175 M HN 0.236 nan 8.290 nan 0.000 0.405 176 T N 0.415 114.945 114.554 -0.041 0.000 2.665 176 T HA -0.134 4.218 4.350 0.004 0.000 0.268 176 T C 1.826 176.519 174.700 -0.011 0.000 1.035 176 T CA 1.748 63.844 62.100 -0.007 0.000 1.151 176 T CB -0.976 67.904 68.868 0.020 0.000 0.862 176 T HN 0.595 nan 8.240 nan 0.000 0.438 177 G N 1.748 110.522 108.800 -0.044 0.000 2.631 177 G HA2 -0.263 3.699 3.960 0.004 0.000 0.219 177 G HA3 -0.263 3.699 3.960 0.004 0.000 0.219 177 G C 1.473 176.324 174.900 -0.081 0.000 1.214 177 G CA 1.233 46.288 45.100 -0.075 0.000 0.785 177 G HN 0.470 nan 8.290 nan 0.000 0.596 178 L N 0.077 121.237 121.223 -0.105 0.000 1.994 178 L HA -0.030 4.312 4.340 0.004 0.000 0.208 178 L C 2.908 179.787 176.870 0.015 0.000 1.071 178 L CA 0.877 55.678 54.840 -0.065 0.000 0.745 178 L CB -0.515 41.519 42.059 -0.042 0.000 0.892 178 L HN 0.191 nan 8.230 nan 0.000 0.431 179 I N 0.153 120.728 120.570 0.008 0.000 2.145 179 I HA -0.296 3.876 4.170 0.004 0.000 0.244 179 I C 2.620 178.806 176.117 0.114 0.000 1.075 179 I CA 1.779 63.109 61.300 0.049 0.000 1.332 179 I CB -0.958 37.057 38.000 0.025 0.000 1.033 179 I HN 0.328 nan 8.210 nan 0.000 0.410 180 G N 0.497 109.368 108.800 0.119 0.000 2.422 180 G HA2 -0.249 3.713 3.960 0.004 0.000 0.218 180 G HA3 -0.249 3.713 3.960 0.004 0.000 0.218 180 G C 1.752 176.837 174.900 0.308 0.000 1.146 180 G CA 0.739 45.953 45.100 0.191 0.000 0.769 180 G HN 0.393 nan 8.290 nan 0.000 0.547 181 L N 0.500 121.882 121.223 0.266 0.000 2.017 181 L HA 0.025 4.367 4.340 0.004 0.000 0.208 181 L C 3.164 180.356 176.870 0.537 0.000 1.073 181 L CA 1.786 56.855 54.840 0.381 0.000 0.745 181 L CB -0.324 41.746 42.059 0.018 0.000 0.894 181 L HN 0.268 nan 8.230 nan 0.000 0.432 182 A N 0.208 123.219 122.820 0.318 0.000 1.865 182 A HA -0.208 4.115 4.320 0.004 0.000 0.217 182 A C 2.181 179.998 177.584 0.387 0.000 1.191 182 A CA 1.938 54.164 52.037 0.317 0.000 0.623 182 A CB -0.982 18.130 19.000 0.186 0.000 0.826 182 A HN 0.506 nan 8.150 nan 0.000 0.444 183 L N -0.871 120.536 121.223 0.306 0.000 2.012 183 L HA -0.218 4.124 4.340 0.004 0.000 0.210 183 L C 2.652 179.726 176.870 0.340 0.000 1.073 183 L CA 1.402 56.402 54.840 0.266 0.000 0.748 183 L CB -0.696 41.495 42.059 0.220 0.000 0.891 183 L HN 0.379 nan 8.230 nan 0.000 0.431 184 L N -1.349 120.145 121.223 0.452 0.000 2.093 184 L HA -0.226 4.116 4.340 0.004 0.000 0.208 184 L C 2.501 179.600 176.870 0.380 0.000 1.085 184 L CA 1.080 56.217 54.840 0.495 0.000 0.755 184 L CB -0.538 41.775 42.059 0.423 0.000 0.904 184 L HN 0.112 nan 8.230 nan 0.000 0.435 185 F N 0.632 120.776 119.950 0.324 0.000 2.236 185 F HA -0.258 4.271 4.527 0.003 0.000 0.302 185 F C 2.111 178.056 175.800 0.242 0.000 1.073 185 F CA 1.281 59.417 58.000 0.226 0.000 1.336 185 F CB -0.133 39.140 39.000 0.455 0.000 1.040 185 F HN -0.061 nan 8.300 nan 0.000 0.507 186 L N -0.998 120.390 121.223 0.274 0.000 2.129 186 L HA -0.276 4.067 4.340 0.004 0.000 0.212 186 L C 2.138 179.042 176.870 0.058 0.000 1.087 186 L CA 1.270 56.226 54.840 0.194 0.000 0.757 186 L CB -0.992 41.066 42.059 -0.003 0.000 0.896 186 L HN 0.113 nan 8.230 nan 0.000 0.434 187 F N 0.169 120.162 119.950 0.071 0.000 2.641 187 F HA -0.152 4.377 4.527 0.004 0.000 0.298 187 F C 2.726 178.494 175.800 -0.053 0.000 1.146 187 F CA 1.101 59.141 58.000 0.067 0.000 1.464 187 F CB -0.585 38.478 39.000 0.104 0.000 1.101 187 F HN 0.174 nan 8.300 nan 0.000 0.585 188 S N -0.812 114.756 115.700 -0.221 0.000 2.481 188 S HA -0.145 4.328 4.470 0.004 0.000 0.231 188 S C 1.616 175.944 174.600 -0.454 0.000 0.996 188 S CA 0.636 58.541 58.200 -0.492 0.000 0.942 188 S CB -0.978 61.584 63.200 -1.064 0.000 0.768 188 S HN 0.328 nan 8.310 nan 0.000 0.520 189 F N 0.200 120.088 119.950 -0.102 0.000 2.743 189 F HA 0.333 4.862 4.527 0.004 0.000 0.297 189 F C 0.795 176.784 175.800 0.315 0.000 1.131 189 F CA -0.382 57.666 58.000 0.079 0.000 1.426 189 F CB -0.175 38.911 39.000 0.143 0.000 1.116 189 F HN 0.226 nan 8.300 nan 0.000 0.583 190 Y N 2.115 122.541 120.300 0.211 0.000 2.477 190 Y HA 0.313 4.865 4.550 0.004 0.000 0.349 190 Y C -0.332 175.649 175.900 0.135 0.000 0.977 190 Y CA -1.974 56.221 58.100 0.158 0.000 1.214 190 Y CB -0.087 38.428 38.460 0.091 0.000 1.124 190 Y HN -0.048 nan 8.280 nan 0.000 0.521 191 N N 7.688 126.352 118.700 -0.061 0.000 2.804 191 N HA 0.408 5.150 4.740 0.004 0.000 0.251 191 N C -3.098 172.286 175.510 -0.209 0.000 1.250 191 N CA -1.876 51.095 53.050 -0.131 0.000 0.820 191 N CB 0.705 39.206 38.487 0.023 0.000 1.156 191 N HN 0.246 nan 8.380 nan 0.000 0.512 192 P HA 0.040 nan 4.420 nan 0.000 0.265 192 P C 0.312 177.548 177.300 -0.107 0.000 1.187 192 P CA 0.108 63.035 63.100 -0.287 0.000 0.766 192 P CB 0.810 32.334 31.700 -0.293 0.000 0.820 193 E N 0.477 120.648 120.200 -0.049 0.000 2.204 193 E HA -0.127 4.226 4.350 0.004 0.000 0.194 193 E C 0.807 177.392 176.600 -0.025 0.000 0.989 193 E CA 0.542 56.927 56.400 -0.024 0.000 0.824 193 E CB -0.027 29.669 29.700 -0.005 0.000 0.756 193 E HN 0.414 nan 8.360 nan 0.000 0.477 194 N N 1.459 120.144 118.700 -0.026 0.000 2.458 194 N HA -0.039 4.703 4.740 0.004 0.000 0.270 194 N C 0.837 176.333 175.510 -0.024 0.000 1.102 194 N CA 0.023 53.061 53.050 -0.019 0.000 0.967 194 N CB 1.175 39.655 38.487 -0.012 0.000 1.078 194 N HN 0.119 nan 8.380 nan 0.000 0.471 195 L N 3.587 124.796 121.223 -0.023 0.000 2.042 195 L HA -0.194 4.148 4.340 0.004 0.000 0.210 195 L C 2.149 179.011 176.870 -0.015 0.000 1.076 195 L CA 2.139 56.963 54.840 -0.027 0.000 0.749 195 L CB -0.735 41.308 42.059 -0.027 0.000 0.893 195 L HN 0.761 nan 8.230 nan 0.000 0.432 196 T N -2.773 111.777 114.554 -0.007 0.000 2.942 196 T HA -0.217 4.135 4.350 0.004 0.000 0.265 196 T C 2.012 176.722 174.700 0.016 0.000 1.062 196 T CA 0.831 62.935 62.100 0.006 0.000 1.139 196 T CB -0.280 68.586 68.868 -0.003 0.000 0.883 196 T HN 0.319 nan 8.240 nan 0.000 0.468 197 R N 0.642 121.141 120.500 -0.002 0.000 2.120 197 R HA -0.112 4.230 4.340 0.004 0.000 0.234 197 R C 2.279 178.646 176.300 0.112 0.000 1.123 197 R CA 1.652 57.773 56.100 0.035 0.000 0.975 197 R CB -0.479 29.847 30.300 0.045 0.000 0.866 197 R HN 0.494 nan 8.270 nan 0.000 0.446 198 D N 0.832 121.252 120.400 0.034 0.000 2.088 198 D HA -0.199 4.444 4.640 0.004 0.000 0.191 198 D C 1.414 177.766 176.300 0.087 0.000 0.992 198 D CA 1.767 55.776 54.000 0.014 0.000 0.831 198 D CB 0.030 40.803 40.800 -0.045 0.000 0.973 198 D HN 0.123 nan 8.370 nan 0.000 0.447 199 K N -0.829 119.603 120.400 0.053 0.000 2.103 199 K HA -0.135 4.187 4.320 0.004 0.000 0.207 199 K C 2.263 179.051 176.600 0.313 0.000 1.048 199 K CA 0.959 57.297 56.287 0.085 0.000 0.930 199 K CB -0.439 32.111 32.500 0.084 0.000 0.716 199 K HN 0.163 nan 8.250 nan 0.000 0.444 200 F N 0.327 120.304 119.950 0.044 0.000 2.065 200 F HA -0.318 4.212 4.527 0.004 0.000 0.298 200 F C 1.802 177.539 175.800 -0.106 0.000 1.112 200 F CA 1.663 59.597 58.000 -0.110 0.000 1.212 200 F CB -0.131 38.548 39.000 -0.535 0.000 0.975 200 F HN 0.021 nan 8.300 nan 0.000 0.476 201 Y N -2.115 118.217 120.300 0.053 0.000 2.420 201 Y HA -0.113 4.439 4.550 0.004 0.000 0.292 201 Y C 1.957 177.833 175.900 -0.041 0.000 1.119 201 Y CA 0.831 58.757 58.100 -0.289 0.000 1.229 201 Y CB -1.192 37.142 38.460 -0.210 0.000 1.026 201 Y HN 0.285 nan 8.280 nan 0.000 0.554 202 W N -0.302 120.980 121.300 -0.030 0.000 2.304 202 W HA -0.299 4.363 4.660 0.004 0.000 0.315 202 W C 1.489 177.896 176.519 -0.188 0.000 1.233 202 W CA 2.031 59.272 57.345 -0.173 0.000 1.261 202 W CB -0.694 28.570 29.460 -0.326 0.000 1.150 202 W HN 0.160 nan 8.180 nan 0.000 0.494 203 W N -1.046 120.427 121.300 0.288 0.000 2.392 203 W HA -0.133 4.529 4.660 0.003 0.000 0.279 203 W C 1.835 178.367 176.519 0.021 0.000 1.225 203 W CA 0.757 58.148 57.345 0.076 0.000 1.233 203 W CB -1.091 28.372 29.460 0.005 0.000 1.122 203 W HN -0.136 nan 8.180 nan 0.000 0.561 204 W N -0.349 120.913 121.300 -0.063 0.000 2.387 204 W HA -0.120 4.542 4.660 0.003 0.000 0.272 204 W C 1.908 178.304 176.519 -0.204 0.000 1.224 204 W CA 0.838 58.093 57.345 -0.151 0.000 1.210 204 W CB -1.372 27.887 29.460 -0.334 0.000 1.125 204 W HN -0.245 nan 8.180 nan 0.000 0.572 205 V N -0.957 118.856 119.914 -0.170 0.000 2.326 205 V HA -0.204 3.918 4.120 0.004 0.000 0.237 205 V C 2.081 177.763 176.094 -0.687 0.000 1.044 205 V CA 1.401 63.329 62.300 -0.621 0.000 1.035 205 V CB -1.433 29.882 31.823 -0.846 0.000 0.675 205 V HN -0.096 nan 8.190 nan 0.000 0.470 206 V N 0.830 120.335 119.914 -0.681 0.000 2.231 206 V HA -0.364 3.758 4.120 0.004 0.000 0.248 206 V C 2.449 178.494 176.094 -0.082 0.000 1.054 206 V CA 3.030 65.046 62.300 -0.473 0.000 1.015 206 V CB -0.955 30.396 31.823 -0.786 0.000 0.638 206 V HN 0.814 nan 8.190 nan 0.000 0.444 207 H N -0.795 118.293 119.070 0.029 0.000 2.370 207 H HA 0.076 4.634 4.556 0.004 0.000 0.304 207 H C 2.088 177.452 175.328 0.060 0.000 1.055 207 H CA 1.185 57.322 56.048 0.147 0.000 1.373 207 H CB -0.114 29.814 29.762 0.276 0.000 1.423 207 H HN 0.261 nan 8.280 nan 0.000 0.533 208 L N -0.454 120.857 121.223 0.147 0.000 2.187 208 L HA -0.205 4.137 4.340 0.004 0.000 0.213 208 L C 1.933 178.880 176.870 0.129 0.000 1.100 208 L CA 0.589 55.469 54.840 0.066 0.000 0.765 208 L CB -0.352 41.727 42.059 0.033 0.000 0.904 208 L HN 0.470 nan 8.230 nan 0.000 0.437 209 W N -0.752 120.458 121.300 -0.150 0.000 2.380 209 W HA -0.144 4.518 4.660 0.003 0.000 0.317 209 W C 2.479 178.657 176.519 -0.569 0.000 1.196 209 W CA 0.857 57.999 57.345 -0.338 0.000 1.307 209 W CB -0.898 28.222 29.460 -0.567 0.000 1.157 209 W HN -0.168 nan 8.180 nan 0.000 0.483 210 V N -0.373 119.340 119.914 -0.335 0.000 2.878 210 V HA -0.095 4.028 4.120 0.004 0.000 0.250 210 V C 1.212 177.279 176.094 -0.046 0.000 1.075 210 V CA 1.597 63.612 62.300 -0.475 0.000 1.096 210 V CB -0.066 31.391 31.823 -0.611 0.000 0.724 210 V HN 0.036 nan 8.190 nan 0.000 0.467 211 E N -1.466 118.663 120.200 -0.118 0.000 2.526 211 E HA 0.248 4.600 4.350 0.004 0.000 0.208 211 E C 1.265 177.834 176.600 -0.052 0.000 0.997 211 E CA 0.493 56.860 56.400 -0.054 0.000 0.961 211 E CB 1.028 30.546 29.700 -0.303 0.000 1.030 211 E HN 0.594 nan 8.360 nan 0.000 0.483 212 G N -0.376 108.407 108.800 -0.028 0.000 2.477 212 G HA2 -0.011 3.951 3.960 0.004 0.000 0.197 212 G HA3 -0.011 3.951 3.960 0.004 0.000 0.197 212 G C 1.091 176.043 174.900 0.087 0.000 1.860 212 G CA -0.121 44.989 45.100 0.017 0.000 0.714 212 G HN 0.039 nan 8.290 nan 0.000 0.782 213 V N 0.171 120.168 119.914 0.138 0.000 2.343 213 V HA -0.095 4.027 4.120 0.004 0.000 0.247 213 V C 2.520 178.718 176.094 0.173 0.000 1.051 213 V CA 1.760 64.159 62.300 0.165 0.000 1.036 213 V CB -0.570 31.390 31.823 0.228 0.000 0.654 213 V HN 0.507 nan 8.190 nan 0.000 0.451 214 W N 0.604 121.820 121.300 -0.140 0.000 2.350 214 W HA -0.138 4.524 4.660 0.004 0.000 0.289 214 W C 2.493 178.994 176.519 -0.031 0.000 1.215 214 W CA 1.245 58.434 57.345 -0.259 0.000 1.236 214 W CB -0.795 28.366 29.460 -0.498 0.000 1.130 214 W HN 0.356 nan 8.180 nan 0.000 0.541 215 E N -0.286 120.093 120.200 0.300 0.000 2.077 215 E HA -0.212 4.140 4.350 0.004 0.000 0.193 215 E C 2.096 178.747 176.600 0.085 0.000 0.989 215 E CA 1.414 57.940 56.400 0.209 0.000 0.800 215 E CB -0.691 29.049 29.700 0.066 0.000 0.746 215 E HN 0.207 nan 8.360 nan 0.000 0.452 216 L N 0.749 121.996 121.223 0.040 0.000 2.012 216 L HA -0.216 4.127 4.340 0.004 0.000 0.210 216 L C 2.362 179.193 176.870 -0.065 0.000 1.073 216 L CA 1.431 56.264 54.840 -0.012 0.000 0.748 216 L CB -0.412 41.639 42.059 -0.014 0.000 0.891 216 L HN 0.115 nan 8.230 nan 0.000 0.431 217 I N -1.168 119.311 120.570 -0.152 0.000 2.179 217 I HA -0.345 3.828 4.170 0.004 0.000 0.242 217 I C 2.561 178.560 176.117 -0.196 0.000 1.088 217 I CA 1.702 62.805 61.300 -0.329 0.000 1.357 217 I CB -0.266 37.244 38.000 -0.816 0.000 1.051 217 I HN 0.357 nan 8.210 nan 0.000 0.409 218 M N 0.506 120.085 119.600 -0.036 0.000 2.132 218 M HA -0.084 4.398 4.480 0.004 0.000 0.263 218 M C 2.257 178.612 176.300 0.093 0.000 1.065 218 M CA 2.273 57.635 55.300 0.103 0.000 1.122 218 M CB -0.710 32.049 32.600 0.265 0.000 1.365 218 M HN 0.193 nan 8.290 nan 0.000 0.411 219 G N 0.122 108.972 108.800 0.084 0.000 2.491 219 G HA2 -0.231 3.732 3.960 0.004 0.000 0.218 219 G HA3 -0.231 3.732 3.960 0.004 0.000 0.218 219 G C 1.567 176.541 174.900 0.123 0.000 1.180 219 G CA 1.268 46.437 45.100 0.115 0.000 0.774 219 G HN 0.672 nan 8.290 nan 0.000 0.562 220 A N 0.483 123.331 122.820 0.047 0.000 1.902 220 A HA 0.062 4.384 4.320 0.004 0.000 0.217 220 A C 2.438 180.073 177.584 0.084 0.000 1.181 220 A CA 1.354 53.413 52.037 0.038 0.000 0.623 220 A CB -0.335 18.644 19.000 -0.036 0.000 0.818 220 A HN 0.398 nan 8.150 nan 0.000 0.443 221 I N -0.512 120.095 120.570 0.062 0.000 2.202 221 I HA -0.220 3.953 4.170 0.004 0.000 0.242 221 I C 2.506 178.706 176.117 0.138 0.000 1.091 221 I CA 0.988 62.351 61.300 0.104 0.000 1.368 221 I CB -0.252 37.800 38.000 0.087 0.000 1.058 221 I HN 0.358 nan 8.210 nan 0.000 0.410 222 L N 0.972 122.256 121.223 0.101 0.000 1.990 222 L HA -0.282 4.061 4.340 0.004 0.000 0.213 222 L C 2.767 179.617 176.870 -0.033 0.000 1.072 222 L CA 2.346 57.210 54.840 0.039 0.000 0.755 222 L CB -0.665 41.434 42.059 0.067 0.000 0.889 222 L HN 0.286 nan 8.230 nan 0.000 0.432 223 A N -0.393 122.484 122.820 0.095 0.000 1.908 223 A HA -0.329 3.993 4.320 0.004 0.000 0.218 223 A C 2.172 179.779 177.584 0.039 0.000 1.181 223 A CA 1.950 54.064 52.037 0.129 0.000 0.627 223 A CB -1.136 18.053 19.000 0.315 0.000 0.818 223 A HN 0.561 nan 8.150 nan 0.000 0.445 224 F N 0.728 120.652 119.950 -0.043 0.000 2.065 224 F HA -0.227 4.302 4.527 0.004 0.000 0.298 224 F C 2.259 177.952 175.800 -0.178 0.000 1.112 224 F CA 2.284 60.238 58.000 -0.076 0.000 1.212 224 F CB -0.180 38.802 39.000 -0.029 0.000 0.975 224 F HN 0.055 nan 8.300 nan 0.000 0.476 225 V N 0.975 120.756 119.914 -0.221 0.000 2.343 225 V HA -0.311 3.811 4.120 0.004 0.000 0.247 225 V C 2.372 178.195 176.094 -0.451 0.000 1.051 225 V CA 1.936 63.983 62.300 -0.421 0.000 1.036 225 V CB -0.843 30.871 31.823 -0.181 0.000 0.654 225 V HN 0.389 nan 8.190 nan 0.000 0.451 226 L N -0.327 120.677 121.223 -0.365 0.000 1.970 226 L HA -0.194 4.148 4.340 0.004 0.000 0.212 226 L C 2.542 179.194 176.870 -0.364 0.000 1.071 226 L CA 1.524 56.139 54.840 -0.374 0.000 0.751 226 L CB -1.087 40.677 42.059 -0.491 0.000 0.889 226 L HN 0.161 nan 8.230 nan 0.000 0.432 227 V N 0.068 119.779 119.914 -0.339 0.000 2.252 227 V HA -0.365 3.757 4.120 0.004 0.000 0.255 227 V C 2.651 178.515 176.094 -0.383 0.000 1.071 227 V CA 2.084 64.200 62.300 -0.306 0.000 1.050 227 V CB -0.641 31.021 31.823 -0.268 0.000 0.654 227 V HN 0.462 nan 8.190 nan 0.000 0.448 228 K N -0.827 119.219 120.400 -0.589 0.000 2.137 228 K HA 0.083 4.405 4.320 0.004 0.000 0.202 228 K C 1.845 178.072 176.600 -0.622 0.000 1.052 228 K CA 0.931 56.863 56.287 -0.592 0.000 0.961 228 K CB -0.531 31.458 32.500 -0.851 0.000 0.741 228 K HN 0.368 nan 8.250 nan 0.000 0.452 229 I N 1.115 121.287 120.570 -0.662 0.000 3.001 229 I HA -0.116 4.057 4.170 0.004 0.000 0.268 229 I C 2.010 177.864 176.117 -0.438 0.000 1.267 229 I CA 1.270 62.162 61.300 -0.680 0.000 1.472 229 I CB -0.153 37.608 38.000 -0.399 0.000 1.089 229 I HN 0.193 nan 8.210 nan 0.000 0.468 230 T N -2.411 111.939 114.554 -0.340 0.000 3.176 230 T HA 0.340 4.693 4.350 0.004 0.000 0.259 230 T C 1.466 176.068 174.700 -0.163 0.000 0.978 230 T CA 0.802 62.776 62.100 -0.210 0.000 1.050 230 T CB 0.152 68.904 68.868 -0.193 0.000 1.136 230 T HN 0.301 nan 8.240 nan 0.000 0.465 231 G N 0.892 109.586 108.800 -0.175 0.000 2.258 231 G HA2 -0.236 3.726 3.960 0.004 0.000 0.233 231 G HA3 -0.236 3.726 3.960 0.004 0.000 0.233 231 G C 0.247 175.086 174.900 -0.103 0.000 1.006 231 G CA 0.146 45.174 45.100 -0.121 0.000 0.620 231 G HN 0.776 nan 8.290 nan 0.000 0.511 232 V N 1.963 121.809 119.914 -0.114 0.000 2.790 232 V HA 0.169 4.291 4.120 0.004 0.000 0.304 232 V C 1.138 177.182 176.094 -0.083 0.000 1.142 232 V CA 0.753 62.992 62.300 -0.101 0.000 1.282 232 V CB 0.549 32.299 31.823 -0.122 0.000 0.877 232 V HN 0.538 nan 8.190 nan 0.000 0.504 233 D N 2.719 123.080 120.400 -0.065 0.000 2.601 233 D HA -0.064 4.578 4.640 0.004 0.000 0.229 233 D C 1.311 177.596 176.300 -0.025 0.000 1.140 233 D CA 0.593 54.568 54.000 -0.041 0.000 0.862 233 D CB 0.439 41.220 40.800 -0.032 0.000 1.192 233 D HN 0.570 nan 8.370 nan 0.000 0.480 234 R N 2.460 122.955 120.500 -0.008 0.000 2.081 234 R HA -0.192 4.150 4.340 0.004 0.000 0.235 234 R C 1.671 177.994 176.300 0.037 0.000 1.131 234 R CA 1.588 57.697 56.100 0.014 0.000 0.960 234 R CB -0.050 30.263 30.300 0.022 0.000 0.856 234 R HN 0.552 nan 8.270 nan 0.000 0.436 235 E N 0.092 120.313 120.200 0.036 0.000 2.204 235 E HA -0.147 4.205 4.350 0.004 0.000 0.195 235 E C 1.752 178.397 176.600 0.075 0.000 0.990 235 E CA 1.456 57.890 56.400 0.057 0.000 0.821 235 E CB 0.122 29.850 29.700 0.047 0.000 0.750 235 E HN 0.401 nan 8.360 nan 0.000 0.477 236 V N -2.022 117.915 119.914 0.039 0.000 2.685 236 V HA 0.053 4.175 4.120 0.004 0.000 0.244 236 V C 2.085 178.222 176.094 0.071 0.000 1.054 236 V CA 0.789 63.102 62.300 0.022 0.000 1.076 236 V CB -0.362 31.381 31.823 -0.133 0.000 0.725 236 V HN 0.196 nan 8.190 nan 0.000 0.467 237 I N 0.973 121.595 120.570 0.087 0.000 2.226 237 I HA -0.208 3.965 4.170 0.004 0.000 0.245 237 I C 2.817 179.062 176.117 0.215 0.000 1.100 237 I CA 2.384 63.830 61.300 0.244 0.000 1.374 237 I CB -0.292 37.818 38.000 0.183 0.000 1.057 237 I HN 0.384 nan 8.210 nan 0.000 0.413 238 E N 0.415 120.692 120.200 0.128 0.000 2.112 238 E HA -0.219 4.133 4.350 0.004 0.000 0.190 238 E C 2.125 178.786 176.600 0.101 0.000 0.979 238 E CA 0.668 57.099 56.400 0.052 0.000 0.814 238 E CB -0.001 29.721 29.700 0.037 0.000 0.762 238 E HN 0.309 nan 8.360 nan 0.000 0.460 239 K N 0.664 121.181 120.400 0.196 0.000 2.020 239 K HA -0.206 4.116 4.320 0.004 0.000 0.212 239 K C 1.932 178.660 176.600 0.214 0.000 1.050 239 K CA 1.515 57.951 56.287 0.249 0.000 0.929 239 K CB -0.176 32.491 32.500 0.279 0.000 0.714 239 K HN 0.265 nan 8.250 nan 0.000 0.443 240 W N 1.225 122.427 121.300 -0.163 0.000 2.335 240 W HA -0.240 4.422 4.660 0.004 0.000 0.311 240 W C 2.104 178.326 176.519 -0.494 0.000 1.213 240 W CA 0.550 57.654 57.345 -0.403 0.000 1.274 240 W CB -0.257 28.778 29.460 -0.708 0.000 1.148 240 W HN 0.252 nan 8.180 nan 0.000 0.498 241 L N -0.070 121.023 121.223 -0.216 0.000 2.043 241 L HA -0.300 4.042 4.340 0.004 0.000 0.212 241 L C 2.130 178.906 176.870 -0.157 0.000 1.075 241 L CA 2.088 56.808 54.840 -0.201 0.000 0.752 241 L CB -1.176 40.821 42.059 -0.104 0.000 0.891 241 L HN 0.004 nan 8.230 nan 0.000 0.432 242 Y N -0.563 119.692 120.300 -0.076 0.000 2.200 242 Y HA -0.169 4.383 4.550 0.004 0.000 0.290 242 Y C 2.642 178.464 175.900 -0.130 0.000 1.137 242 Y CA 1.186 59.241 58.100 -0.075 0.000 1.163 242 Y CB -0.823 37.611 38.460 -0.044 0.000 0.988 242 Y HN -0.076 nan 8.280 nan 0.000 0.518 243 V N 0.018 119.902 119.914 -0.051 0.000 2.287 243 V HA -0.331 3.792 4.120 0.004 0.000 0.248 243 V C 2.253 178.243 176.094 -0.173 0.000 1.053 243 V CA 2.079 64.269 62.300 -0.184 0.000 1.027 243 V CB -0.747 30.824 31.823 -0.419 0.000 0.646 243 V HN 0.307 nan 8.190 nan 0.000 0.447 244 I N -0.248 120.197 120.570 -0.210 0.000 2.163 244 I HA -0.268 3.904 4.170 0.004 0.000 0.243 244 I C 2.176 178.230 176.117 -0.105 0.000 1.085 244 I CA 1.951 63.148 61.300 -0.171 0.000 1.347 244 I CB -0.400 37.495 38.000 -0.174 0.000 1.044 244 I HN 0.242 nan 8.210 nan 0.000 0.408 245 I N 0.624 121.160 120.570 -0.057 0.000 2.226 245 I HA -0.274 3.898 4.170 0.004 0.000 0.245 245 I C 2.777 178.890 176.117 -0.006 0.000 1.100 245 I CA 1.314 62.603 61.300 -0.019 0.000 1.374 245 I CB -0.844 37.177 38.000 0.035 0.000 1.057 245 I HN 0.161 nan 8.210 nan 0.000 0.413 246 A N 1.649 124.472 122.820 0.003 0.000 1.915 246 A HA -0.277 4.045 4.320 0.004 0.000 0.220 246 A C 2.430 180.004 177.584 -0.016 0.000 1.198 246 A CA 2.512 54.545 52.037 -0.007 0.000 0.647 246 A CB -0.759 18.225 19.000 -0.027 0.000 0.825 246 A HN 0.460 nan 8.150 nan 0.000 0.456 247 M N -0.855 118.721 119.600 -0.040 0.000 2.175 247 M HA -0.060 4.422 4.480 0.004 0.000 0.264 247 M C 2.530 178.823 176.300 -0.012 0.000 1.063 247 M CA 1.271 56.554 55.300 -0.028 0.000 1.119 247 M CB -0.743 31.828 32.600 -0.048 0.000 1.377 247 M HN 0.475 nan 8.290 nan 0.000 0.415 248 A N 1.659 124.455 122.820 -0.040 0.000 1.851 248 A HA -0.123 4.199 4.320 0.004 0.000 0.216 248 A C 2.205 179.792 177.584 0.005 0.000 1.195 248 A CA 1.480 53.493 52.037 -0.039 0.000 0.622 248 A CB -1.019 17.937 19.000 -0.073 0.000 0.831 248 A HN 0.443 nan 8.150 nan 0.000 0.444 249 L N -0.805 120.425 121.223 0.010 0.000 1.994 249 L HA -0.187 4.155 4.340 0.004 0.000 0.208 249 L C 2.583 179.478 176.870 0.043 0.000 1.071 249 L CA 1.463 56.316 54.840 0.022 0.000 0.745 249 L CB -0.712 41.361 42.059 0.022 0.000 0.892 249 L HN 0.364 nan 8.230 nan 0.000 0.431 250 I N 0.189 120.791 120.570 0.053 0.000 2.185 250 I HA -0.379 3.793 4.170 0.004 0.000 0.246 250 I C 2.734 178.963 176.117 0.187 0.000 1.088 250 I CA 2.059 63.418 61.300 0.099 0.000 1.347 250 I CB -0.195 37.848 38.000 0.071 0.000 1.041 250 I HN 0.402 nan 8.210 nan 0.000 0.415 251 S N -0.445 115.348 115.700 0.156 0.000 2.456 251 S HA 0.068 4.540 4.470 0.004 0.000 0.224 251 S C 2.037 176.750 174.600 0.189 0.000 1.035 251 S CA 0.450 58.788 58.200 0.229 0.000 0.940 251 S CB -0.425 62.865 63.200 0.151 0.000 0.799 251 S HN 0.427 nan 8.310 nan 0.000 0.508 252 G N 1.606 110.467 108.800 0.101 0.000 2.430 252 G HA2 0.117 4.079 3.960 0.004 0.000 0.216 252 G HA3 0.117 4.079 3.960 0.004 0.000 0.216 252 G C 1.314 176.258 174.900 0.073 0.000 1.146 252 G CA 0.519 45.660 45.100 0.068 0.000 0.793 252 G HN 0.504 nan 8.290 nan 0.000 0.537 253 I N 1.048 121.624 120.570 0.010 0.000 2.133 253 I HA -0.098 4.075 4.170 0.004 0.000 0.238 253 I C 2.424 178.470 176.117 -0.118 0.000 1.074 253 I CA 0.660 61.924 61.300 -0.060 0.000 1.342 253 I CB -0.051 37.905 38.000 -0.073 0.000 1.053 253 I HN 0.028 nan 8.210 nan 0.000 0.404 254 I N 0.893 121.351 120.570 -0.186 0.000 2.361 254 I HA -0.169 4.003 4.170 0.004 0.000 0.251 254 I C 2.691 178.708 176.117 -0.167 0.000 1.133 254 I CA 1.467 62.605 61.300 -0.270 0.000 1.413 254 I CB -2.233 35.217 38.000 -0.917 0.000 1.073 254 I HN 0.280 nan 8.210 nan 0.000 0.424 255 G N 1.262 109.986 108.800 -0.126 0.000 2.503 255 G HA2 -0.323 3.639 3.960 0.004 0.000 0.221 255 G HA3 -0.323 3.639 3.960 0.004 0.000 0.221 255 G C 1.570 176.042 174.900 -0.714 0.000 1.131 255 G CA 1.680 46.632 45.100 -0.247 0.000 0.756 255 G HN 0.390 nan 8.290 nan 0.000 0.572 256 T N 1.163 115.270 114.554 -0.744 0.000 2.836 256 T HA -0.185 4.168 4.350 0.004 0.000 0.268 256 T C 2.385 176.229 174.700 -1.426 0.000 1.080 256 T CA 1.425 62.704 62.100 -1.368 0.000 1.128 256 T CB -0.659 67.654 68.868 -0.924 0.000 0.839 256 T HN 0.448 nan 8.240 nan 0.000 0.507 257 G N 1.792 110.132 108.800 -0.766 0.000 2.507 257 G HA2 -0.343 3.619 3.960 0.004 0.000 0.221 257 G HA3 -0.343 3.619 3.960 0.004 0.000 0.221 257 G C 1.149 175.602 174.900 -0.746 0.000 1.119 257 G CA 1.267 46.144 45.100 -0.371 0.000 0.751 257 G HN 0.895 nan 8.290 nan 0.000 0.574 258 H N -1.947 116.537 119.070 -0.977 0.000 2.489 258 H HA -0.015 4.544 4.556 0.004 0.000 0.293 258 H C 1.575 175.823 175.328 -1.800 0.000 1.066 258 H CA 1.069 56.273 56.048 -1.406 0.000 1.305 258 H CB -0.321 28.900 29.762 -0.903 0.000 1.386 258 H HN 0.442 nan 8.280 nan 0.000 0.551 259 H N -0.550 117.800 119.070 -1.200 0.000 2.526 259 H HA 0.017 4.575 4.556 0.003 0.000 0.274 259 H C 0.285 175.047 175.328 -0.944 0.000 0.999 259 H CA 0.083 55.291 56.048 -1.400 0.000 1.157 259 H CB 0.319 28.570 29.762 -2.519 0.000 1.407 259 H HN 0.489 nan 8.280 nan 0.000 0.568 260 Y N -0.814 118.951 120.300 -0.891 0.000 2.555 260 Y HA 0.158 4.710 4.550 0.004 0.000 0.259 260 Y C 1.538 177.182 175.900 -0.427 0.000 1.179 260 Y CA -1.156 56.564 58.100 -0.633 0.000 1.230 260 Y CB -0.626 37.328 38.460 -0.843 0.000 1.146 260 Y HN 0.114 nan 8.280 nan 0.000 0.526 261 F N -2.098 117.506 119.950 -0.576 0.000 2.128 261 F HA -0.161 4.368 4.527 0.003 0.000 0.295 261 F C 0.741 176.012 175.800 -0.883 0.000 1.100 261 F CA 0.882 58.215 58.000 -1.111 0.000 1.260 261 F CB -0.099 37.530 39.000 -2.286 0.000 1.009 261 F HN 0.057 nan 8.300 nan 0.000 0.476 262 W N 0.338 121.674 121.300 0.060 0.000 2.599 262 W HA 0.319 4.982 4.660 0.005 0.000 0.396 262 W C 1.013 177.542 176.519 0.017 0.000 0.944 262 W CA -0.460 56.882 57.345 -0.006 0.000 2.042 262 W CB -0.076 29.285 29.460 -0.165 0.000 1.184 262 W HN -0.044 nan 8.180 nan 0.000 0.604 263 I N -3.160 117.508 120.570 0.163 0.000 4.139 263 I HA 0.632 4.804 4.170 0.004 0.000 0.335 263 I C 1.447 177.612 176.117 0.081 0.000 1.327 263 I CA 0.691 62.073 61.300 0.137 0.000 1.112 263 I CB 0.516 38.606 38.000 0.151 0.000 1.058 263 I HN 0.071 nan 8.210 nan 0.000 0.396 264 G N 1.723 110.561 108.800 0.063 0.000 2.480 264 G HA2 -0.172 3.790 3.960 0.004 0.000 0.193 264 G HA3 -0.172 3.790 3.960 0.004 0.000 0.193 264 G C 0.267 175.159 174.900 -0.014 0.000 1.004 264 G CA -0.106 45.010 45.100 0.026 0.000 0.696 264 G HN 0.562 nan 8.290 nan 0.000 0.478 265 V N 0.135 120.023 119.914 -0.044 0.000 2.881 265 V HA 0.719 4.841 4.120 0.004 0.000 0.303 265 V C -1.407 174.689 176.094 0.003 0.000 1.070 265 V CA -1.876 60.383 62.300 -0.068 0.000 1.074 265 V CB 0.506 32.207 31.823 -0.203 0.000 1.012 265 V HN 0.156 nan 8.190 nan 0.000 0.482 266 P HA 0.068 nan 4.420 nan 0.000 0.266 266 P C 1.192 178.353 177.300 -0.232 0.000 1.186 266 P CA 0.888 63.833 63.100 -0.258 0.000 0.767 266 P CB 0.318 31.598 31.700 -0.700 0.000 0.820 267 G N 1.866 110.585 108.800 -0.135 0.000 2.475 267 G HA2 -0.302 3.660 3.960 0.004 0.000 0.220 267 G HA3 -0.302 3.660 3.960 0.004 0.000 0.220 267 G C 1.238 176.175 174.900 0.062 0.000 1.125 267 G CA 0.919 46.013 45.100 -0.010 0.000 0.755 267 G HN 0.726 nan 8.290 nan 0.000 0.565 268 Y N -2.165 118.196 120.300 0.102 0.000 2.465 268 Y HA -0.093 4.460 4.550 0.004 0.000 0.289 268 Y C 2.263 178.188 175.900 0.043 0.000 1.150 268 Y CA 0.473 58.607 58.100 0.056 0.000 1.293 268 Y CB -0.578 37.803 38.460 -0.132 0.000 0.977 268 Y HN 0.260 nan 8.280 nan 0.000 0.556 269 W N 0.853 122.243 121.300 0.151 0.000 2.425 269 W HA -0.010 4.652 4.660 0.003 0.000 0.277 269 W C 1.919 178.572 176.519 0.223 0.000 1.231 269 W CA 0.666 58.142 57.345 0.218 0.000 1.248 269 W CB -0.280 29.265 29.460 0.141 0.000 1.117 269 W HN 0.115 nan 8.180 nan 0.000 0.568 270 L N -1.644 119.723 121.223 0.240 0.000 2.012 270 L HA -0.202 4.141 4.340 0.004 0.000 0.210 270 L C 2.100 178.879 176.870 -0.152 0.000 1.073 270 L CA 1.535 56.266 54.840 -0.182 0.000 0.748 270 L CB -1.034 40.740 42.059 -0.476 0.000 0.891 270 L HN 0.042 nan 8.230 nan 0.000 0.431 271 W N 0.012 121.346 121.300 0.056 0.000 2.352 271 W HA -0.142 4.521 4.660 0.004 0.000 0.322 271 W C 2.486 179.100 176.519 0.157 0.000 1.208 271 W CA 0.651 58.041 57.345 0.074 0.000 1.286 271 W CB -0.657 28.836 29.460 0.055 0.000 1.167 271 W HN -0.063 nan 8.180 nan 0.000 0.469 272 L N 0.086 121.566 121.223 0.428 0.000 2.013 272 L HA -0.207 4.135 4.340 0.004 0.000 0.212 272 L C 2.617 179.732 176.870 0.409 0.000 1.073 272 L CA 1.693 56.751 54.840 0.363 0.000 0.753 272 L CB -1.491 40.653 42.059 0.142 0.000 0.890 272 L HN 0.226 nan 8.230 nan 0.000 0.432 273 G N -1.294 107.753 108.800 0.411 0.000 2.404 273 G HA2 -0.216 3.746 3.960 0.004 0.000 0.215 273 G HA3 -0.216 3.746 3.960 0.004 0.000 0.215 273 G C 1.708 176.785 174.900 0.295 0.000 1.174 273 G CA 0.874 46.162 45.100 0.314 0.000 0.780 273 G HN 0.376 nan 8.290 nan 0.000 0.537 274 S N 0.022 115.911 115.700 0.315 0.000 2.355 274 S HA -0.082 4.390 4.470 0.004 0.000 0.222 274 S C 2.473 177.175 174.600 0.170 0.000 1.031 274 S CA 0.981 59.291 58.200 0.183 0.000 0.993 274 S CB -0.351 62.837 63.200 -0.020 0.000 0.859 274 S HN 0.153 nan 8.310 nan 0.000 0.453 275 V N 1.243 121.289 119.914 0.220 0.000 2.231 275 V HA -0.211 3.911 4.120 0.004 0.000 0.248 275 V C 1.962 178.117 176.094 0.102 0.000 1.054 275 V CA 1.974 64.374 62.300 0.167 0.000 1.015 275 V CB -0.727 31.218 31.823 0.203 0.000 0.638 275 V HN 0.440 nan 8.190 nan 0.000 0.444 276 F N -0.075 119.928 119.950 0.087 0.000 2.206 276 F HA -0.123 4.406 4.527 0.003 0.000 0.298 276 F C 2.711 178.543 175.800 0.053 0.000 1.090 276 F CA 1.487 59.522 58.000 0.059 0.000 1.323 276 F CB -0.502 38.521 39.000 0.039 0.000 1.028 276 F HN 0.016 nan 8.300 nan 0.000 0.492 277 S N 0.081 115.905 115.700 0.207 0.000 2.374 277 S HA -0.294 4.178 4.470 0.004 0.000 0.227 277 S C 2.377 177.110 174.600 0.222 0.000 1.037 277 S CA 1.204 59.496 58.200 0.155 0.000 1.024 277 S CB -0.713 62.582 63.200 0.158 0.000 0.861 277 S HN 0.403 nan 8.310 nan 0.000 0.456 278 A N 0.932 123.881 122.820 0.216 0.000 1.958 278 A HA -0.130 4.192 4.320 0.004 0.000 0.221 278 A C 2.003 179.731 177.584 0.240 0.000 1.178 278 A CA 1.503 53.727 52.037 0.313 0.000 0.642 278 A CB -0.687 18.467 19.000 0.256 0.000 0.816 278 A HN 0.516 nan 8.150 nan 0.000 0.453 279 L N -1.216 120.092 121.223 0.142 0.000 2.418 279 L HA -0.045 4.298 4.340 0.004 0.000 0.218 279 L C 2.249 179.208 176.870 0.148 0.000 1.125 279 L CA 0.693 55.591 54.840 0.097 0.000 0.835 279 L CB -0.352 41.716 42.059 0.015 0.000 0.953 279 L HN 0.412 nan 8.230 nan 0.000 0.454 280 E N 0.464 120.787 120.200 0.204 0.000 2.209 280 E HA -0.184 4.168 4.350 0.004 0.000 0.196 280 E C -0.696 176.112 176.600 0.347 0.000 0.993 280 E CA 0.970 57.519 56.400 0.248 0.000 0.819 280 E CB -0.511 29.356 29.700 0.277 0.000 0.745 280 E HN 0.473 nan 8.360 nan 0.000 0.477 281 P HA -0.149 nan 4.420 nan 0.000 0.221 281 P C 1.423 178.997 177.300 0.455 0.000 1.150 281 P CA 0.860 64.225 63.100 0.441 0.000 0.800 281 P CB -0.008 31.849 31.700 0.263 0.000 0.787 282 L N 0.629 122.014 121.223 0.271 0.000 1.991 282 L HA -0.183 4.159 4.340 0.004 0.000 0.221 282 L C -0.098 176.878 176.870 0.176 0.000 1.079 282 L CA 2.737 57.701 54.840 0.206 0.000 0.778 282 L CB -2.737 39.378 42.059 0.094 0.000 0.893 282 L HN 0.081 nan 8.230 nan 0.000 0.437 283 P HA -0.215 nan 4.420 nan 0.000 0.216 283 P C 1.614 178.856 177.300 -0.097 0.000 1.153 283 P CA 1.795 64.816 63.100 -0.132 0.000 0.858 283 P CB -0.197 31.298 31.700 -0.343 0.000 0.789 284 F N -1.600 118.480 119.950 0.217 0.000 2.171 284 F HA -0.106 4.423 4.527 0.004 0.000 0.300 284 F C 2.448 178.407 175.800 0.265 0.000 1.090 284 F CA 0.997 59.160 58.000 0.271 0.000 1.293 284 F CB -1.581 37.632 39.000 0.355 0.000 1.013 284 F HN -0.175 nan 8.300 nan 0.000 0.486 285 F N 0.894 121.033 119.950 0.315 0.000 2.102 285 F HA -0.144 4.385 4.527 0.004 0.000 0.298 285 F C 2.343 178.081 175.800 -0.104 0.000 1.105 285 F CA 1.307 59.246 58.000 -0.101 0.000 1.239 285 F CB -0.718 38.220 39.000 -0.103 0.000 0.991 285 F HN -0.086 nan 8.300 nan 0.000 0.474 286 A N 0.156 122.967 122.820 -0.015 0.000 2.015 286 A HA -0.143 4.179 4.320 0.004 0.000 0.219 286 A C 2.258 179.819 177.584 -0.038 0.000 1.163 286 A CA 1.499 53.477 52.037 -0.099 0.000 0.646 286 A CB -0.713 18.234 19.000 -0.089 0.000 0.806 286 A HN 0.474 nan 8.150 nan 0.000 0.448 287 M N -0.186 119.430 119.600 0.028 0.000 2.159 287 M HA -0.143 4.339 4.480 0.004 0.000 0.263 287 M C 2.307 178.654 176.300 0.078 0.000 1.063 287 M CA 1.935 57.328 55.300 0.155 0.000 1.110 287 M CB -0.699 32.011 32.600 0.183 0.000 1.374 287 M HN 0.505 nan 8.290 nan 0.000 0.411 288 V N -0.459 119.353 119.914 -0.169 0.000 2.358 288 V HA -0.193 3.929 4.120 0.004 0.000 0.246 288 V C 2.087 177.852 176.094 -0.548 0.000 1.047 288 V CA 1.328 63.378 62.300 -0.417 0.000 1.035 288 V CB -0.860 30.546 31.823 -0.696 0.000 0.658 288 V HN 0.408 nan 8.190 nan 0.000 0.452 289 L N -1.152 119.752 121.223 -0.531 0.000 1.956 289 L HA -0.150 4.193 4.340 0.004 0.000 0.216 289 L C 2.606 179.527 176.870 0.085 0.000 1.073 289 L CA 2.606 57.278 54.840 -0.280 0.000 0.762 289 L CB -1.329 40.611 42.059 -0.198 0.000 0.889 289 L HN 0.407 nan 8.230 nan 0.000 0.433 290 F N 1.003 121.003 119.950 0.083 0.000 2.053 290 F HA -0.397 4.133 4.527 0.004 0.000 0.295 290 F C 2.515 178.341 175.800 0.044 0.000 1.102 290 F CA 1.535 59.619 58.000 0.140 0.000 1.225 290 F CB -0.967 38.154 39.000 0.203 0.000 0.961 290 F HN 0.107 nan 8.300 nan 0.000 0.495 291 A N 0.056 122.956 122.820 0.134 0.000 1.841 291 A HA -0.225 4.097 4.320 0.004 0.000 0.216 291 A C 2.200 179.908 177.584 0.207 0.000 1.199 291 A CA 2.030 54.113 52.037 0.077 0.000 0.621 291 A CB -1.531 17.592 19.000 0.205 0.000 0.835 291 A HN 0.352 nan 8.150 nan 0.000 0.445 292 F N 0.462 120.377 119.950 -0.059 0.000 2.134 292 F HA -0.105 4.424 4.527 0.003 0.000 0.299 292 F C 2.428 178.191 175.800 -0.062 0.000 1.097 292 F CA 0.901 58.866 58.000 -0.058 0.000 1.264 292 F CB -1.095 37.875 39.000 -0.050 0.000 1.001 292 F HN 0.307 nan 8.300 nan 0.000 0.479 293 N N -0.452 118.342 118.700 0.157 0.000 2.250 293 N HA -0.108 4.634 4.740 0.004 0.000 0.181 293 N C 1.702 177.189 175.510 -0.039 0.000 1.017 293 N CA 1.803 54.882 53.050 0.047 0.000 0.866 293 N CB -0.133 38.369 38.487 0.026 0.000 0.985 293 N HN 0.337 nan 8.380 nan 0.000 0.429 294 T N -1.928 112.584 114.554 -0.069 0.000 3.107 294 T HA 0.221 4.573 4.350 0.004 0.000 0.249 294 T C 1.276 175.899 174.700 -0.127 0.000 1.096 294 T CA 0.010 62.031 62.100 -0.130 0.000 1.012 294 T CB 0.081 68.845 68.868 -0.173 0.000 0.977 294 T HN 0.085 nan 8.240 nan 0.000 0.527 295 I N 0.714 121.230 120.570 -0.090 0.000 3.936 295 I HA 0.377 4.549 4.170 0.004 0.000 0.330 295 I C 1.388 177.465 176.117 -0.067 0.000 1.509 295 I CA -0.272 60.975 61.300 -0.089 0.000 1.126 295 I CB 0.224 38.167 38.000 -0.094 0.000 1.115 295 I HN 0.220 nan 8.210 nan 0.000 0.424 296 N N 1.405 120.077 118.700 -0.046 0.000 2.333 296 N HA 0.022 4.764 4.740 0.004 0.000 0.183 296 N C 0.746 176.231 175.510 -0.042 0.000 1.030 296 N CA 0.270 53.299 53.050 -0.034 0.000 0.867 296 N CB 0.267 38.752 38.487 -0.002 0.000 1.027 296 N HN 0.119 nan 8.380 nan 0.000 0.435 297 R N 0.906 121.375 120.500 -0.052 0.000 3.070 297 R HA 0.372 4.714 4.340 0.004 0.000 0.252 297 R C -0.960 175.305 176.300 -0.057 0.000 1.370 297 R CA -0.599 55.471 56.100 -0.051 0.000 1.482 297 R CB 0.350 30.618 30.300 -0.053 0.000 1.220 297 R HN 0.027 nan 8.270 nan 0.000 0.622 298 R N 1.174 121.645 120.500 -0.049 0.000 2.340 298 R HA 0.174 4.516 4.340 0.004 0.000 0.300 298 R C 0.988 177.265 176.300 -0.037 0.000 1.069 298 R CA -0.267 55.804 56.100 -0.048 0.000 0.984 298 R CB 0.665 30.945 30.300 -0.034 0.000 1.003 298 R HN 0.402 nan 8.270 nan 0.000 0.459 299 R N 1.614 122.088 120.500 -0.043 0.000 2.189 299 R HA 0.009 4.351 4.340 0.004 0.000 0.218 299 R C 0.304 176.595 176.300 -0.015 0.000 1.074 299 R CA 1.068 57.149 56.100 -0.031 0.000 0.991 299 R CB 0.132 30.409 30.300 -0.039 0.000 0.883 299 R HN 0.493 nan 8.270 nan 0.000 0.457 300 R N -0.083 120.412 120.500 -0.009 0.000 2.629 300 R HA 0.190 4.532 4.340 0.004 0.000 0.266 300 R C -1.839 174.485 176.300 0.041 0.000 1.051 300 R CA -0.820 55.292 56.100 0.020 0.000 0.895 300 R CB 0.690 31.015 30.300 0.040 0.000 1.246 300 R HN -0.260 nan 8.270 nan 0.000 0.459 301 D N 1.620 122.048 120.400 0.047 0.000 2.425 301 D HA 0.095 4.738 4.640 0.004 0.000 0.247 301 D C -1.088 175.294 176.300 0.136 0.000 1.147 301 D CA 0.503 54.540 54.000 0.062 0.000 0.879 301 D CB 0.280 41.097 40.800 0.029 0.000 1.179 301 D HN 0.351 nan 8.370 nan 0.000 0.456 302 Y N 4.983 125.276 120.300 -0.011 0.000 2.331 302 Y HA 0.294 4.846 4.550 0.004 0.000 0.338 302 Y C -1.546 174.362 175.900 0.013 0.000 0.992 302 Y CA -2.303 55.801 58.100 0.007 0.000 1.121 302 Y CB 1.453 39.919 38.460 0.011 0.000 1.184 302 Y HN 0.287 nan 8.280 nan 0.000 0.469 303 P HA -0.256 nan 4.420 nan 0.000 0.219 303 P C -0.065 177.066 177.300 -0.282 0.000 1.161 303 P CA 1.492 64.407 63.100 -0.307 0.000 0.909 303 P CB 0.158 31.652 31.700 -0.343 0.000 0.793 304 N N 0.386 118.818 118.700 -0.447 0.000 2.448 304 N HA -0.005 4.737 4.740 0.004 0.000 0.250 304 N C 1.242 176.750 175.510 -0.004 0.000 1.136 304 N CA -0.114 52.839 53.050 -0.162 0.000 0.953 304 N CB -0.048 38.393 38.487 -0.077 0.000 1.251 304 N HN 0.098 nan 8.380 nan 0.000 0.502 305 R N 2.512 123.002 120.500 -0.016 0.000 2.299 305 R HA 0.103 4.446 4.340 0.004 0.000 0.197 305 R C 1.127 177.405 176.300 -0.037 0.000 0.971 305 R CA 0.569 56.662 56.100 -0.012 0.000 1.030 305 R CB -0.133 30.140 30.300 -0.046 0.000 0.932 305 R HN 0.337 nan 8.270 nan 0.000 0.477 306 A N 1.689 124.510 122.820 0.002 0.000 1.969 306 A HA -0.037 4.286 4.320 0.004 0.000 0.218 306 A C 2.281 179.979 177.584 0.190 0.000 1.169 306 A CA 1.411 53.461 52.037 0.021 0.000 0.635 306 A CB -0.285 18.785 19.000 0.117 0.000 0.810 306 A HN 0.185 nan 8.150 nan 0.000 0.445 307 V N -0.753 119.307 119.914 0.243 0.000 2.323 307 V HA -0.123 3.999 4.120 0.004 0.000 0.244 307 V C 2.880 179.082 176.094 0.180 0.000 1.041 307 V CA 1.445 63.927 62.300 0.303 0.000 1.025 307 V CB -1.831 30.177 31.823 0.309 0.000 0.656 307 V HN 0.533 nan 8.190 nan 0.000 0.451 308 A N 0.560 123.433 122.820 0.089 0.000 1.894 308 A HA -0.309 4.014 4.320 0.004 0.000 0.220 308 A C 2.360 179.899 177.584 -0.075 0.000 1.237 308 A CA 2.740 54.771 52.037 -0.009 0.000 0.660 308 A CB -0.916 18.058 19.000 -0.043 0.000 0.835 308 A HN 0.504 nan 8.150 nan 0.000 0.461 309 L N -2.421 118.683 121.223 -0.197 0.000 2.017 309 L HA -0.221 4.121 4.340 0.004 0.000 0.208 309 L C 2.600 179.264 176.870 -0.343 0.000 1.073 309 L CA 1.785 56.343 54.840 -0.469 0.000 0.745 309 L CB -0.322 41.234 42.059 -0.838 0.000 0.894 309 L HN 0.726 nan 8.230 nan 0.000 0.432 310 W N -0.505 120.724 121.300 -0.118 0.000 2.333 310 W HA -0.258 4.404 4.660 0.004 0.000 0.316 310 W C 2.687 179.229 176.519 0.038 0.000 1.215 310 W CA 1.178 58.548 57.345 0.042 0.000 1.278 310 W CB -0.410 29.070 29.460 0.034 0.000 1.154 310 W HN 0.229 nan 8.180 nan 0.000 0.486 311 A N 0.134 123.106 122.820 0.254 0.000 1.892 311 A HA -0.291 4.031 4.320 0.004 0.000 0.218 311 A C 1.887 179.547 177.584 0.128 0.000 1.188 311 A CA 2.429 54.546 52.037 0.133 0.000 0.631 311 A CB -0.906 18.115 19.000 0.035 0.000 0.822 311 A HN 0.309 nan 8.150 nan 0.000 0.447 312 M N -1.109 118.544 119.600 0.087 0.000 2.062 312 M HA -0.022 4.460 4.480 0.004 0.000 0.259 312 M C 2.488 178.917 176.300 0.215 0.000 1.076 312 M CA 1.415 56.807 55.300 0.154 0.000 1.122 312 M CB -1.179 31.399 32.600 -0.038 0.000 1.312 312 M HN 0.458 nan 8.290 nan 0.000 0.412 313 G N 0.744 109.641 108.800 0.160 0.000 2.624 313 G HA2 -0.306 3.656 3.960 0.004 0.000 0.221 313 G HA3 -0.306 3.656 3.960 0.004 0.000 0.221 313 G C 1.440 176.479 174.900 0.233 0.000 1.169 313 G CA 2.174 47.436 45.100 0.269 0.000 0.771 313 G HN 0.479 nan 8.290 nan 0.000 0.598 314 T N 0.957 115.653 114.554 0.237 0.000 2.708 314 T HA -0.173 4.179 4.350 0.004 0.000 0.266 314 T C 2.758 177.553 174.700 0.158 0.000 1.037 314 T CA 2.546 64.742 62.100 0.161 0.000 1.146 314 T CB -0.921 68.039 68.868 0.152 0.000 0.865 314 T HN 0.636 nan 8.240 nan 0.000 0.435 315 T N 0.963 115.631 114.554 0.191 0.000 2.746 315 T HA -0.084 4.268 4.350 0.004 0.000 0.267 315 T C 2.065 176.909 174.700 0.242 0.000 1.039 315 T CA 1.074 63.300 62.100 0.210 0.000 1.142 315 T CB -1.034 67.938 68.868 0.172 0.000 0.866 315 T HN 0.185 nan 8.240 nan 0.000 0.444 316 V N 1.334 121.403 119.914 0.257 0.000 2.295 316 V HA -0.121 4.001 4.120 0.004 0.000 0.246 316 V C 2.878 179.155 176.094 0.305 0.000 1.049 316 V CA 1.793 64.275 62.300 0.303 0.000 1.024 316 V CB -0.629 31.391 31.823 0.329 0.000 0.648 316 V HN 0.402 nan 8.190 nan 0.000 0.447 317 M N -0.340 119.392 119.600 0.220 0.000 2.175 317 M HA -0.074 4.408 4.480 0.004 0.000 0.264 317 M C 2.350 178.706 176.300 0.093 0.000 1.063 317 M CA 2.044 57.441 55.300 0.162 0.000 1.119 317 M CB -1.587 31.088 32.600 0.126 0.000 1.377 317 M HN 0.394 nan 8.290 nan 0.000 0.415 318 A N -0.449 122.415 122.820 0.073 0.000 1.877 318 A HA -0.195 4.127 4.320 0.004 0.000 0.216 318 A C 2.150 179.636 177.584 -0.164 0.000 1.186 318 A CA 1.372 53.356 52.037 -0.087 0.000 0.620 318 A CB -1.098 17.926 19.000 0.041 0.000 0.822 318 A HN 0.426 nan 8.150 nan 0.000 0.443 319 F N 0.954 120.900 119.950 -0.007 0.000 2.095 319 F HA -0.172 4.357 4.527 0.004 0.000 0.298 319 F C 1.909 177.770 175.800 0.102 0.000 1.104 319 F CA 1.908 59.956 58.000 0.081 0.000 1.232 319 F CB -0.330 38.797 39.000 0.212 0.000 0.987 319 F HN 0.154 nan 8.300 nan 0.000 0.475 320 L N -0.103 121.157 121.223 0.061 0.000 2.017 320 L HA -0.125 4.217 4.340 0.004 0.000 0.208 320 L C 2.798 179.729 176.870 0.101 0.000 1.073 320 L CA 1.438 56.312 54.840 0.056 0.000 0.745 320 L CB -1.805 40.387 42.059 0.221 0.000 0.894 320 L HN 0.347 nan 8.230 nan 0.000 0.432 321 G N -0.523 108.288 108.800 0.018 0.000 2.454 321 G HA2 -0.107 3.855 3.960 0.004 0.000 0.214 321 G HA3 -0.107 3.855 3.960 0.004 0.000 0.214 321 G C 1.734 176.687 174.900 0.089 0.000 1.217 321 G CA 0.778 45.889 45.100 0.017 0.000 0.799 321 G HN 0.432 nan 8.290 nan 0.000 0.538 322 A N 0.621 123.352 122.820 -0.148 0.000 1.874 322 A HA 0.295 4.617 4.320 0.004 0.000 0.214 322 A C 2.649 180.179 177.584 -0.090 0.000 1.189 322 A CA 1.921 53.879 52.037 -0.131 0.000 0.615 322 A CB -1.126 17.479 19.000 -0.658 0.000 0.830 322 A HN 0.524 nan 8.150 nan 0.000 0.443 323 G N -0.362 108.269 108.800 -0.282 0.000 2.552 323 G HA2 -0.120 3.842 3.960 0.004 0.000 0.216 323 G HA3 -0.120 3.842 3.960 0.004 0.000 0.216 323 G C 1.520 176.312 174.900 -0.179 0.000 1.240 323 G CA 1.618 46.601 45.100 -0.194 0.000 0.796 323 G HN 0.301 nan 8.290 nan 0.000 0.568 324 V N -0.726 119.010 119.914 -0.297 0.000 2.273 324 V HA -0.046 4.076 4.120 0.004 0.000 0.242 324 V C 2.437 178.543 176.094 0.019 0.000 1.035 324 V CA 1.257 63.459 62.300 -0.164 0.000 1.013 324 V CB -0.675 31.027 31.823 -0.202 0.000 0.652 324 V HN 0.514 nan 8.190 nan 0.000 0.452 325 W N 0.809 122.064 121.300 -0.076 0.000 2.350 325 W HA -0.134 4.528 4.660 0.003 0.000 0.289 325 W C 2.343 178.735 176.519 -0.212 0.000 1.215 325 W CA 1.450 58.747 57.345 -0.079 0.000 1.236 325 W CB -0.617 28.848 29.460 0.008 0.000 1.130 325 W HN 0.433 nan 8.180 nan 0.000 0.541 326 G N -0.193 108.630 108.800 0.040 0.000 2.404 326 G HA2 -0.326 3.636 3.960 0.004 0.000 0.215 326 G HA3 -0.326 3.636 3.960 0.004 0.000 0.215 326 G C 1.290 176.263 174.900 0.121 0.000 1.174 326 G CA 0.761 45.800 45.100 -0.103 0.000 0.780 326 G HN 0.229 nan 8.290 nan 0.000 0.537 327 F N 0.831 120.785 119.950 0.008 0.000 2.126 327 F HA -0.081 4.448 4.527 0.003 0.000 0.299 327 F C 2.686 178.494 175.800 0.014 0.000 1.096 327 F CA 1.944 59.958 58.000 0.024 0.000 1.255 327 F CB -0.098 38.895 39.000 -0.013 0.000 0.997 327 F HN 0.122 nan 8.300 nan 0.000 0.479 328 M N -0.074 119.534 119.600 0.014 0.000 2.146 328 M HA -0.305 4.177 4.480 0.004 0.000 0.256 328 M C 1.554 177.812 176.300 -0.069 0.000 1.075 328 M CA 2.502 57.734 55.300 -0.114 0.000 1.082 328 M CB -0.665 31.767 32.600 -0.280 0.000 1.355 328 M HN 0.531 nan 8.290 nan 0.000 0.402 329 H N -5.160 113.818 119.070 -0.154 0.000 2.567 329 H HA 0.338 4.896 4.556 0.004 0.000 0.267 329 H C 1.146 176.441 175.328 -0.054 0.000 1.148 329 H CA 0.233 56.239 56.048 -0.071 0.000 1.031 329 H CB 0.067 29.835 29.762 0.011 0.000 1.691 329 H HN 0.092 nan 8.280 nan 0.000 0.588 330 T N 0.891 115.432 114.554 -0.022 0.000 3.057 330 T HA 0.204 4.556 4.350 0.004 0.000 0.254 330 T C 0.633 175.365 174.700 0.053 0.000 1.094 330 T CA -0.207 61.865 62.100 -0.047 0.000 1.088 330 T CB -0.056 68.831 68.868 0.031 0.000 0.934 330 T HN 0.281 nan 8.240 nan 0.000 0.497 331 L N 1.479 122.653 121.223 -0.082 0.000 2.367 331 L HA 0.400 4.742 4.340 0.004 0.000 0.275 331 L C 1.812 178.620 176.870 -0.103 0.000 1.129 331 L CA -0.597 54.183 54.840 -0.101 0.000 0.839 331 L CB 0.829 42.770 42.059 -0.197 0.000 1.133 331 L HN 0.085 nan 8.230 nan 0.000 0.453 332 A N 5.716 128.303 122.820 -0.389 0.000 1.884 332 A HA -0.126 4.196 4.320 0.004 0.000 0.219 332 A C -0.322 177.183 177.584 -0.132 0.000 1.197 332 A CA 1.798 53.394 52.037 -0.735 0.000 0.637 332 A CB -1.667 16.577 19.000 -1.259 0.000 0.827 332 A HN 0.725 nan 8.150 nan 0.000 0.450 333 P HA -0.092 nan 4.420 nan 0.000 0.218 333 P C 1.500 178.892 177.300 0.152 0.000 1.148 333 P CA 1.314 64.403 63.100 -0.018 0.000 0.822 333 P CB -0.109 31.545 31.700 -0.076 0.000 0.784 334 V N -0.100 119.888 119.914 0.124 0.000 2.407 334 V HA -0.151 3.971 4.120 0.004 0.000 0.245 334 V C 2.367 178.628 176.094 0.278 0.000 1.041 334 V CA 1.619 64.038 62.300 0.197 0.000 1.040 334 V CB -1.255 30.621 31.823 0.088 0.000 0.671 334 V HN 0.228 nan 8.190 nan 0.000 0.455 335 N N -0.350 118.516 118.700 0.277 0.000 2.223 335 N HA -0.258 4.484 4.740 0.004 0.000 0.185 335 N C 1.982 177.752 175.510 0.434 0.000 1.016 335 N CA 1.633 54.919 53.050 0.393 0.000 0.863 335 N CB -0.145 38.677 38.487 0.557 0.000 0.983 335 N HN 0.622 nan 8.380 nan 0.000 0.429 336 Y N 0.325 120.745 120.300 0.200 0.000 2.193 336 Y HA -0.288 4.264 4.550 0.003 0.000 0.285 336 Y C 1.362 176.953 175.900 -0.515 0.000 1.166 336 Y CA 1.919 59.750 58.100 -0.449 0.000 1.181 336 Y CB -0.272 37.829 38.460 -0.599 0.000 0.976 336 Y HN 0.147 nan 8.280 nan 0.000 0.520 337 Y N -1.401 118.896 120.300 -0.005 0.000 2.476 337 Y HA -0.016 4.536 4.550 0.005 0.000 0.283 337 Y C 2.616 178.526 175.900 0.016 0.000 1.109 337 Y CA 1.173 59.243 58.100 -0.050 0.000 1.246 337 Y CB -0.420 38.079 38.460 0.065 0.000 1.068 337 Y HN 0.197 nan 8.280 nan 0.000 0.552 338 T N -3.418 111.289 114.554 0.255 0.000 3.065 338 T HA -0.023 4.330 4.350 0.004 0.000 0.252 338 T C 0.525 175.379 174.700 0.257 0.000 1.099 338 T CA 0.040 62.293 62.100 0.255 0.000 1.063 338 T CB -0.772 68.270 68.868 0.289 0.000 0.948 338 T HN 0.205 nan 8.240 nan 0.000 0.506 339 H N 2.010 121.154 119.070 0.125 0.000 3.184 339 H HA 0.398 4.956 4.556 0.004 0.000 0.274 339 H C 1.218 176.620 175.328 0.122 0.000 0.962 339 H CA 0.671 56.808 56.048 0.148 0.000 1.441 339 H CB -0.768 29.079 29.762 0.143 0.000 1.518 339 H HN 0.533 nan 8.280 nan 0.000 0.539 340 G N 3.701 112.409 108.800 -0.153 0.000 2.370 340 G HA2 -0.189 3.774 3.960 0.004 0.000 0.268 340 G HA3 -0.189 3.774 3.960 0.004 0.000 0.268 340 G C -0.020 174.905 174.900 0.043 0.000 1.122 340 G CA 0.155 45.157 45.100 -0.163 0.000 0.963 340 G HN 0.886 nan 8.290 nan 0.000 0.500 341 T N -0.715 113.925 114.554 0.143 0.000 2.841 341 T HA 0.483 4.836 4.350 0.004 0.000 0.296 341 T C 1.027 175.872 174.700 0.243 0.000 1.166 341 T CA -0.511 61.705 62.100 0.193 0.000 1.007 341 T CB 1.559 70.541 68.868 0.190 0.000 1.253 341 T HN 0.020 nan 8.240 nan 0.000 0.511 342 Q N 0.621 120.570 119.800 0.248 0.000 2.291 342 Q HA 0.039 4.381 4.340 0.004 0.000 0.206 342 Q C 2.060 178.217 176.000 0.261 0.000 0.976 342 Q CA 0.955 56.925 55.803 0.278 0.000 0.875 342 Q CB -0.343 28.563 28.738 0.279 0.000 0.927 342 Q HN 0.545 nan 8.270 nan 0.000 0.450 343 L N 0.196 121.567 121.223 0.246 0.000 2.083 343 L HA -0.197 4.145 4.340 0.004 0.000 0.209 343 L C 2.176 179.251 176.870 0.341 0.000 1.083 343 L CA 1.370 56.370 54.840 0.267 0.000 0.752 343 L CB -0.367 41.841 42.059 0.248 0.000 0.899 343 L HN 0.210 nan 8.230 nan 0.000 0.433 344 T N -0.592 114.191 114.554 0.382 0.000 2.674 344 T HA -0.191 4.161 4.350 0.004 0.000 0.265 344 T C 1.954 176.912 174.700 0.431 0.000 1.039 344 T CA 1.238 63.614 62.100 0.460 0.000 1.150 344 T CB -0.389 68.707 68.868 0.381 0.000 0.864 344 T HN 0.465 nan 8.240 nan 0.000 0.427 345 A N 1.602 124.649 122.820 0.378 0.000 1.948 345 A HA 0.043 4.365 4.320 0.004 0.000 0.220 345 A C 2.642 180.482 177.584 0.428 0.000 1.177 345 A CA 2.037 54.323 52.037 0.415 0.000 0.636 345 A CB -1.160 18.064 19.000 0.374 0.000 0.815 345 A HN 0.532 nan 8.150 nan 0.000 0.449 346 A N -0.782 122.222 122.820 0.307 0.000 1.877 346 A HA -0.146 4.176 4.320 0.004 0.000 0.216 346 A C 2.063 179.739 177.584 0.153 0.000 1.186 346 A CA 2.145 54.294 52.037 0.187 0.000 0.620 346 A CB -0.893 18.220 19.000 0.188 0.000 0.822 346 A HN 0.818 nan 8.150 nan 0.000 0.443 347 H N -0.413 118.759 119.070 0.171 0.000 2.326 347 H HA 0.021 4.579 4.556 0.003 0.000 0.301 347 H C 2.121 177.565 175.328 0.193 0.000 1.081 347 H CA 2.024 58.164 56.048 0.154 0.000 1.334 347 H CB -0.834 29.039 29.762 0.184 0.000 1.385 347 H HN 0.283 nan 8.280 nan 0.000 0.504 348 G N -0.909 107.932 108.800 0.069 0.000 2.469 348 G HA2 -0.336 3.626 3.960 0.004 0.000 0.219 348 G HA3 -0.336 3.626 3.960 0.004 0.000 0.219 348 G C 1.360 176.306 174.900 0.076 0.000 1.150 348 G CA 1.316 46.440 45.100 0.040 0.000 0.763 348 G HN 0.528 nan 8.290 nan 0.000 0.561 349 H N -0.942 118.198 119.070 0.116 0.000 2.276 349 H HA 0.122 4.681 4.556 0.004 0.000 0.301 349 H C 2.553 177.948 175.328 0.111 0.000 1.073 349 H CA 1.765 57.885 56.048 0.119 0.000 1.311 349 H CB -0.188 29.612 29.762 0.064 0.000 1.379 349 H HN 0.233 nan 8.280 nan 0.000 0.494 350 M N -0.091 119.577 119.600 0.114 0.000 2.080 350 M HA -0.196 4.286 4.480 0.004 0.000 0.260 350 M C 2.392 178.739 176.300 0.078 0.000 1.068 350 M CA 1.679 57.018 55.300 0.064 0.000 1.109 350 M CB -0.060 32.442 32.600 -0.163 0.000 1.342 350 M HN 0.398 nan 8.290 nan 0.000 0.405 351 A N -0.215 122.582 122.820 -0.038 0.000 1.877 351 A HA -0.186 4.136 4.320 0.004 0.000 0.216 351 A C 1.804 179.350 177.584 -0.065 0.000 1.186 351 A CA 1.482 53.441 52.037 -0.130 0.000 0.620 351 A CB -1.105 17.731 19.000 -0.273 0.000 0.822 351 A HN 0.522 nan 8.150 nan 0.000 0.443 352 F N -1.498 118.447 119.950 -0.008 0.000 2.102 352 F HA -0.147 4.382 4.527 0.003 0.000 0.298 352 F C 2.249 178.113 175.800 0.107 0.000 1.105 352 F CA 1.794 59.850 58.000 0.093 0.000 1.239 352 F CB -0.819 38.192 39.000 0.018 0.000 0.991 352 F HN 0.439 nan 8.300 nan 0.000 0.474 353 Y N 0.258 120.716 120.300 0.264 0.000 2.128 353 Y HA -0.180 4.373 4.550 0.004 0.000 0.284 353 Y C 2.457 178.440 175.900 0.138 0.000 1.154 353 Y CA 1.847 60.076 58.100 0.215 0.000 1.149 353 Y CB -0.931 37.664 38.460 0.225 0.000 0.976 353 Y HN 0.009 nan 8.280 nan 0.000 0.505 354 G N -0.933 107.854 108.800 -0.021 0.000 2.443 354 G HA2 -0.052 3.910 3.960 0.004 0.000 0.219 354 G HA3 -0.052 3.910 3.960 0.004 0.000 0.219 354 G C 1.437 176.216 174.900 -0.202 0.000 1.131 354 G CA 0.782 45.800 45.100 -0.137 0.000 0.775 354 G HN 0.612 nan 8.290 nan 0.000 0.547 355 A N -0.635 122.016 122.820 -0.282 0.000 1.969 355 A HA 0.468 4.790 4.320 0.004 0.000 0.205 355 A C 2.022 179.372 177.584 -0.390 0.000 1.364 355 A CA 0.578 52.350 52.037 -0.442 0.000 0.756 355 A CB -0.089 18.381 19.000 -0.882 0.000 0.988 355 A HN 0.201 nan 8.150 nan 0.000 0.490 356 Y N -0.229 120.133 120.300 0.102 0.000 2.301 356 Y HA 0.336 4.889 4.550 0.004 0.000 0.295 356 Y C 2.922 178.774 175.900 -0.080 0.000 1.126 356 Y CA 0.193 58.361 58.100 0.113 0.000 1.154 356 Y CB -0.953 37.705 38.460 0.329 0.000 1.075 356 Y HN 0.268 nan 8.280 nan 0.000 0.534 357 A N 0.793 123.630 122.820 0.029 0.000 1.859 357 A HA -0.252 4.070 4.320 0.004 0.000 0.217 357 A C 2.289 179.816 177.584 -0.096 0.000 1.198 357 A CA 2.403 54.431 52.037 -0.015 0.000 0.629 357 A CB -0.932 18.150 19.000 0.136 0.000 0.830 357 A HN 0.403 nan 8.150 nan 0.000 0.446 358 M N -1.525 117.921 119.600 -0.257 0.000 2.108 358 M HA -0.145 4.338 4.480 0.004 0.000 0.261 358 M C 2.328 178.557 176.300 -0.118 0.000 1.066 358 M CA 1.769 56.948 55.300 -0.201 0.000 1.107 358 M CB -0.637 31.858 32.600 -0.176 0.000 1.356 358 M HN 0.516 nan 8.290 nan 0.000 0.406 359 I N 0.165 120.714 120.570 -0.035 0.000 2.226 359 I HA -0.205 3.967 4.170 0.004 0.000 0.245 359 I C 2.187 178.303 176.117 -0.002 0.000 1.100 359 I CA 1.071 62.387 61.300 0.027 0.000 1.374 359 I CB -0.080 37.992 38.000 0.120 0.000 1.057 359 I HN -0.062 nan 8.210 nan 0.000 0.413 360 V N 0.586 120.503 119.914 0.005 0.000 2.282 360 V HA -0.367 3.755 4.120 0.004 0.000 0.249 360 V C 2.456 178.463 176.094 -0.144 0.000 1.057 360 V CA 2.606 64.911 62.300 0.009 0.000 1.032 360 V CB -0.524 31.339 31.823 0.067 0.000 0.645 360 V HN 0.438 nan 8.190 nan 0.000 0.447 361 M N -1.002 118.416 119.600 -0.305 0.000 2.254 361 M HA -0.128 4.354 4.480 0.004 0.000 0.265 361 M C 2.171 177.986 176.300 -0.807 0.000 1.066 361 M CA 1.804 56.722 55.300 -0.638 0.000 1.123 361 M CB -0.697 31.202 32.600 -1.167 0.000 1.388 361 M HN 0.371 nan 8.290 nan 0.000 0.425 362 T N 1.262 115.473 114.554 -0.572 0.000 2.635 362 T HA -0.194 4.158 4.350 0.004 0.000 0.267 362 T C 1.789 176.409 174.700 -0.133 0.000 1.040 362 T CA 1.395 63.346 62.100 -0.248 0.000 1.156 362 T CB -0.303 68.579 68.868 0.024 0.000 0.863 362 T HN 0.355 nan 8.240 nan 0.000 0.430 363 I N 0.428 120.935 120.570 -0.106 0.000 2.315 363 I HA -0.108 4.064 4.170 0.004 0.000 0.248 363 I C 2.202 178.183 176.117 -0.226 0.000 1.117 363 I CA 1.247 62.517 61.300 -0.048 0.000 1.404 363 I CB -0.242 37.771 38.000 0.022 0.000 1.071 363 I HN 0.268 nan 8.210 nan 0.000 0.419 364 I N 0.152 120.454 120.570 -0.448 0.000 2.118 364 I HA -0.393 3.779 4.170 0.004 0.000 0.241 364 I C 2.744 178.763 176.117 -0.162 0.000 1.070 364 I CA 1.816 62.782 61.300 -0.557 0.000 1.327 364 I CB -0.479 37.268 38.000 -0.422 0.000 1.034 364 I HN 0.218 nan 8.210 nan 0.000 0.405 365 S N -0.408 115.265 115.700 -0.045 0.000 2.407 365 S HA -0.297 4.176 4.470 0.004 0.000 0.235 365 S C 2.035 176.724 174.600 0.147 0.000 1.036 365 S CA 1.687 59.954 58.200 0.112 0.000 1.013 365 S CB -0.446 62.848 63.200 0.155 0.000 0.820 365 S HN 0.516 nan 8.310 nan 0.000 0.476 366 Y N 1.243 121.549 120.300 0.010 0.000 2.114 366 Y HA 0.128 4.680 4.550 0.004 0.000 0.284 366 Y C 2.515 178.410 175.900 -0.009 0.000 1.119 366 Y CA 1.493 59.626 58.100 0.055 0.000 1.108 366 Y CB -0.872 37.628 38.460 0.067 0.000 0.995 366 Y HN 0.298 nan 8.280 nan 0.000 0.491 367 A N 0.614 123.283 122.820 -0.253 0.000 1.873 367 A HA -0.176 4.147 4.320 0.004 0.000 0.215 367 A C 2.220 179.690 177.584 -0.189 0.000 1.186 367 A CA 1.706 53.436 52.037 -0.513 0.000 0.616 367 A CB -0.863 17.729 19.000 -0.681 0.000 0.823 367 A HN 0.574 nan 8.150 nan 0.000 0.442 368 M N -0.293 119.260 119.600 -0.079 0.000 2.204 368 M HA -0.181 4.301 4.480 0.004 0.000 0.255 368 M C -0.321 176.008 176.300 0.049 0.000 1.073 368 M CA 2.377 57.695 55.300 0.030 0.000 1.084 368 M CB -2.339 30.307 32.600 0.077 0.000 1.289 368 M HN 0.142 nan 8.290 nan 0.000 0.419 369 P HA -0.160 nan 4.420 nan 0.000 0.214 369 P C 0.676 177.992 177.300 0.027 0.000 1.163 369 P CA 1.548 64.674 63.100 0.042 0.000 0.883 369 P CB -0.469 31.239 31.700 0.014 0.000 0.788 370 R N -0.697 119.798 120.500 -0.008 0.000 2.386 370 R HA 0.077 4.419 4.340 0.004 0.000 0.216 370 R C 0.778 177.147 176.300 0.115 0.000 1.119 370 R CA 0.541 56.664 56.100 0.038 0.000 1.158 370 R CB -0.765 29.542 30.300 0.012 0.000 1.057 370 R HN 0.209 nan 8.270 nan 0.000 0.489 371 L N -0.408 120.880 121.223 0.107 0.000 2.806 371 L HA 0.291 4.633 4.340 0.004 0.000 0.242 371 L C 1.225 178.154 176.870 0.099 0.000 1.068 371 L CA 0.755 55.683 54.840 0.145 0.000 0.923 371 L CB 0.389 42.556 42.059 0.181 0.000 1.364 371 L HN -0.058 nan 8.230 nan 0.000 0.511 372 R N 0.084 120.627 120.500 0.072 0.000 2.363 372 R HA 0.369 4.711 4.340 0.004 0.000 0.236 372 R C 1.190 177.522 176.300 0.052 0.000 0.966 372 R CA 0.648 56.781 56.100 0.056 0.000 1.100 372 R CB -0.479 29.848 30.300 0.045 0.000 1.125 372 R HN 0.320 nan 8.270 nan 0.000 0.514 373 G N 0.713 109.549 108.800 0.059 0.000 2.212 373 G HA2 -0.328 3.635 3.960 0.004 0.000 0.267 373 G HA3 -0.328 3.635 3.960 0.004 0.000 0.267 373 G C 0.842 175.765 174.900 0.038 0.000 1.002 373 G CA 0.767 45.897 45.100 0.050 0.000 0.729 373 G HN 0.422 nan 8.290 nan 0.000 0.517 374 I N 0.046 120.639 120.570 0.038 0.000 2.163 374 I HA 0.301 4.473 4.170 0.004 0.000 0.240 374 I C 1.825 177.955 176.117 0.021 0.000 1.081 374 I CA 1.834 63.152 61.300 0.030 0.000 1.353 374 I CB -0.209 37.813 38.000 0.037 0.000 1.054 374 I HN 0.716 nan 8.210 nan 0.000 0.407 375 G N -0.372 108.438 108.800 0.017 0.000 2.343 375 G HA2 0.024 3.986 3.960 0.004 0.000 0.289 375 G HA3 0.024 3.986 3.960 0.004 0.000 0.289 375 G C -0.420 174.475 174.900 -0.008 0.000 1.295 375 G CA -0.573 44.531 45.100 0.007 0.000 0.869 375 G HN 0.128 nan 8.290 nan 0.000 0.522 376 E N -0.198 119.990 120.200 -0.018 0.000 2.516 376 E HA 0.393 4.745 4.350 0.004 0.000 0.199 376 E C 0.917 177.441 176.600 -0.126 0.000 1.069 376 E CA 0.967 57.343 56.400 -0.040 0.000 0.876 376 E CB 0.235 29.944 29.700 0.016 0.000 0.843 376 E HN 0.937 nan 8.360 nan 0.000 0.530 377 A N -0.162 122.602 122.820 -0.094 0.000 2.511 377 A HA 0.518 4.841 4.320 0.004 0.000 0.293 377 A C -1.138 176.426 177.584 -0.033 0.000 1.098 377 A CA -0.863 51.125 52.037 -0.082 0.000 0.643 377 A CB 0.918 19.828 19.000 -0.150 0.000 1.302 377 A HN -0.072 nan 8.150 nan 0.000 0.446 378 M N 1.493 121.084 119.600 -0.015 0.000 2.513 378 M HA 0.310 4.792 4.480 0.004 0.000 0.291 378 M C -0.513 175.783 176.300 -0.006 0.000 1.190 378 M CA -0.463 54.839 55.300 0.003 0.000 0.960 378 M CB 0.718 33.325 32.600 0.012 0.000 1.517 378 M HN 0.911 nan 8.290 nan 0.000 0.499 379 D N 0.277 120.678 120.400 0.001 0.000 2.389 379 D HA -0.011 4.631 4.640 0.004 0.000 0.247 379 D C 0.590 176.890 176.300 -0.000 0.000 1.128 379 D CA -0.092 53.907 54.000 -0.001 0.000 0.884 379 D CB 0.174 40.976 40.800 0.003 0.000 1.194 379 D HN 0.591 nan 8.370 nan 0.000 0.441 380 N N 1.439 120.138 118.700 -0.001 0.000 2.242 380 N HA -0.260 4.482 4.740 0.004 0.000 0.193 380 N C 1.473 176.993 175.510 0.017 0.000 1.000 380 N CA 0.866 53.919 53.050 0.004 0.000 0.885 380 N CB 0.085 38.574 38.487 0.003 0.000 0.988 380 N HN 0.382 nan 8.380 nan 0.000 0.444 381 R N 0.052 120.561 120.500 0.014 0.000 2.073 381 R HA -0.024 4.318 4.340 0.004 0.000 0.234 381 R C 1.849 178.159 176.300 0.016 0.000 1.134 381 R CA 1.330 57.441 56.100 0.017 0.000 0.952 381 R CB -0.221 30.084 30.300 0.008 0.000 0.850 381 R HN 0.186 nan 8.270 nan 0.000 0.433 382 S N 0.463 116.164 115.700 0.002 0.000 2.603 382 S HA -0.021 4.452 4.470 0.004 0.000 0.220 382 S C 1.519 176.114 174.600 -0.008 0.000 0.967 382 S CA 0.406 58.593 58.200 -0.021 0.000 0.920 382 S CB 0.329 63.509 63.200 -0.033 0.000 0.773 382 S HN 0.334 nan 8.310 nan 0.000 0.529 383 Q N 0.270 120.082 119.800 0.020 0.000 2.200 383 Q HA 0.146 4.488 4.340 0.004 0.000 0.197 383 Q C 2.170 178.210 176.000 0.066 0.000 0.953 383 Q CA 0.552 56.375 55.803 0.034 0.000 0.851 383 Q CB -0.079 28.668 28.738 0.014 0.000 0.938 383 Q HN 0.369 nan 8.270 nan 0.000 0.488 384 V N 0.839 120.803 119.914 0.084 0.000 2.626 384 V HA -0.186 3.936 4.120 0.004 0.000 0.252 384 V C 1.973 178.226 176.094 0.266 0.000 1.067 384 V CA 1.151 63.542 62.300 0.151 0.000 1.081 384 V CB -0.215 31.704 31.823 0.160 0.000 0.686 384 V HN 0.377 nan 8.190 nan 0.000 0.468 385 L N -0.298 121.038 121.223 0.190 0.000 1.994 385 L HA -0.204 4.139 4.340 0.004 0.000 0.208 385 L C 2.659 179.670 176.870 0.236 0.000 1.071 385 L CA 2.301 57.255 54.840 0.190 0.000 0.745 385 L CB -0.443 41.653 42.059 0.062 0.000 0.892 385 L HN 0.398 nan 8.230 nan 0.000 0.431 386 E N -0.486 119.822 120.200 0.181 0.000 2.070 386 E HA -0.307 4.045 4.350 0.004 0.000 0.197 386 E C 2.211 178.959 176.600 0.246 0.000 1.004 386 E CA 1.926 58.494 56.400 0.281 0.000 0.805 386 E CB -0.122 29.742 29.700 0.275 0.000 0.744 386 E HN 0.469 nan 8.360 nan 0.000 0.451 387 M N -1.266 118.418 119.600 0.139 0.000 2.213 387 M HA -0.166 4.316 4.480 0.004 0.000 0.263 387 M C 1.798 178.221 176.300 0.205 0.000 1.062 387 M CA 1.343 56.659 55.300 0.026 0.000 1.105 387 M CB -0.245 32.338 32.600 -0.030 0.000 1.385 387 M HN 0.210 nan 8.290 nan 0.000 0.417 388 W N 0.217 121.631 121.300 0.191 0.000 2.378 388 W HA -0.055 4.607 4.660 0.003 0.000 0.313 388 W C 2.560 179.194 176.519 0.192 0.000 1.197 388 W CA 1.506 58.977 57.345 0.210 0.000 1.304 388 W CB -0.795 28.736 29.460 0.118 0.000 1.148 388 W HN 0.242 nan 8.180 nan 0.000 0.494 389 G N -0.132 108.927 108.800 0.432 0.000 2.469 389 G HA2 -0.378 3.585 3.960 0.004 0.000 0.220 389 G HA3 -0.378 3.585 3.960 0.004 0.000 0.220 389 G C 1.288 176.301 174.900 0.188 0.000 1.136 389 G CA 1.083 46.362 45.100 0.298 0.000 0.759 389 G HN 0.290 nan 8.290 nan 0.000 0.562 390 F N 0.244 120.151 119.950 -0.072 0.000 2.051 390 F HA -0.051 4.478 4.527 0.004 0.000 0.296 390 F C 2.387 177.984 175.800 -0.338 0.000 1.122 390 F CA 1.588 59.300 58.000 -0.480 0.000 1.201 390 F CB -0.403 37.944 39.000 -1.087 0.000 0.978 390 F HN 0.217 nan 8.300 nan 0.000 0.472 391 W N 0.459 121.899 121.300 0.234 0.000 2.388 391 W HA -0.069 4.593 4.660 0.003 0.000 0.294 391 W C 2.276 178.808 176.519 0.022 0.000 1.212 391 W CA 0.923 58.351 57.345 0.139 0.000 1.271 391 W CB -0.590 28.887 29.460 0.029 0.000 1.126 391 W HN 0.046 nan 8.180 nan 0.000 0.535 392 L N -0.477 120.916 121.223 0.282 0.000 1.994 392 L HA -0.269 4.073 4.340 0.004 0.000 0.208 392 L C 2.440 179.313 176.870 0.006 0.000 1.071 392 L CA 1.534 56.475 54.840 0.169 0.000 0.745 392 L CB -0.886 41.279 42.059 0.176 0.000 0.892 392 L HN -0.010 nan 8.230 nan 0.000 0.431 393 M N -1.215 118.295 119.600 -0.151 0.000 2.086 393 M HA -0.190 4.292 4.480 0.004 0.000 0.261 393 M C 2.331 178.512 176.300 -0.198 0.000 1.067 393 M CA 1.993 57.052 55.300 -0.403 0.000 1.116 393 M CB -0.716 31.569 32.600 -0.525 0.000 1.348 393 M HN 0.255 nan 8.290 nan 0.000 0.407 394 T N 0.645 115.072 114.554 -0.212 0.000 2.614 394 T HA -0.128 4.225 4.350 0.004 0.000 0.263 394 T C 1.895 176.618 174.700 0.039 0.000 1.055 394 T CA 1.667 63.680 62.100 -0.146 0.000 1.162 394 T CB -0.453 68.126 68.868 -0.482 0.000 0.863 394 T HN 0.116 nan 8.240 nan 0.000 0.414 395 V N 2.096 122.101 119.914 0.153 0.000 2.252 395 V HA -0.263 3.859 4.120 0.004 0.000 0.249 395 V C 2.924 179.174 176.094 0.260 0.000 1.056 395 V CA 1.924 64.381 62.300 0.261 0.000 1.022 395 V CB -1.443 30.538 31.823 0.263 0.000 0.641 395 V HN 0.579 nan 8.190 nan 0.000 0.445 396 A N -0.607 122.309 122.820 0.160 0.000 1.940 396 A HA -0.366 3.956 4.320 0.004 0.000 0.221 396 A C 2.180 179.891 177.584 0.212 0.000 1.190 396 A CA 2.900 55.055 52.037 0.198 0.000 0.647 396 A CB -0.620 18.535 19.000 0.258 0.000 0.821 396 A HN 0.512 nan 8.150 nan 0.000 0.457 397 M N 0.055 119.724 119.600 0.115 0.000 2.132 397 M HA -0.072 4.410 4.480 0.004 0.000 0.263 397 M C 2.093 178.376 176.300 -0.027 0.000 1.065 397 M CA 2.042 57.324 55.300 -0.031 0.000 1.122 397 M CB -0.633 31.800 32.600 -0.279 0.000 1.365 397 M HN 0.494 nan 8.290 nan 0.000 0.411 398 V N -0.519 119.411 119.914 0.027 0.000 2.515 398 V HA -0.196 3.927 4.120 0.004 0.000 0.250 398 V C 2.000 177.999 176.094 -0.159 0.000 1.058 398 V CA 1.658 63.913 62.300 -0.075 0.000 1.064 398 V CB -1.023 30.798 31.823 -0.004 0.000 0.675 398 V HN 0.385 nan 8.190 nan 0.000 0.461 399 F N 0.572 120.423 119.950 -0.165 0.000 2.113 399 F HA 0.060 4.589 4.527 0.003 0.000 0.297 399 F C 2.254 177.820 175.800 -0.391 0.000 1.103 399 F CA 2.268 60.067 58.000 -0.334 0.000 1.248 399 F CB -0.468 38.457 39.000 -0.126 0.000 0.999 399 F HN 0.087 nan 8.300 nan 0.000 0.475 400 I N -0.322 120.279 120.570 0.051 0.000 2.194 400 I HA -0.373 3.799 4.170 0.004 0.000 0.246 400 I C 2.636 178.718 176.117 -0.057 0.000 1.093 400 I CA 2.059 63.394 61.300 0.059 0.000 1.355 400 I CB -0.706 37.273 38.000 -0.034 0.000 1.046 400 I HN 0.295 nan 8.210 nan 0.000 0.413 401 T N -0.106 114.343 114.554 -0.175 0.000 2.851 401 T HA -0.058 4.294 4.350 0.004 0.000 0.262 401 T C 1.951 176.536 174.700 -0.192 0.000 1.043 401 T CA 0.660 62.622 62.100 -0.232 0.000 1.140 401 T CB -0.422 68.166 68.868 -0.467 0.000 0.872 401 T HN 0.229 nan 8.240 nan 0.000 0.446 402 L N -0.279 120.772 121.223 -0.287 0.000 1.978 402 L HA -0.095 4.247 4.340 0.004 0.000 0.218 402 L C 2.668 179.448 176.870 -0.151 0.000 1.075 402 L CA 2.270 56.964 54.840 -0.243 0.000 0.767 402 L CB -0.826 40.952 42.059 -0.467 0.000 0.890 402 L HN 0.285 nan 8.230 nan 0.000 0.434 403 F N -1.189 118.786 119.950 0.040 0.000 2.161 403 F HA -0.278 4.251 4.527 0.004 0.000 0.300 403 F C 2.352 178.141 175.800 -0.019 0.000 1.089 403 F CA 0.431 58.483 58.000 0.088 0.000 1.282 403 F CB -0.372 38.757 39.000 0.215 0.000 1.010 403 F HN 0.036 nan 8.300 nan 0.000 0.485 404 L N 0.043 121.380 121.223 0.189 0.000 2.046 404 L HA -0.205 4.137 4.340 0.004 0.000 0.208 404 L C 2.507 179.429 176.870 0.086 0.000 1.077 404 L CA 1.626 56.553 54.840 0.145 0.000 0.747 404 L CB -1.278 40.857 42.059 0.128 0.000 0.896 404 L HN -0.003 nan 8.230 nan 0.000 0.432 405 S N -0.382 115.373 115.700 0.092 0.000 2.356 405 S HA -0.202 4.270 4.470 0.004 0.000 0.223 405 S C 2.164 176.725 174.600 -0.066 0.000 1.032 405 S CA 1.101 59.371 58.200 0.116 0.000 1.005 405 S CB -0.689 62.686 63.200 0.292 0.000 0.867 405 S HN 0.515 nan 8.310 nan 0.000 0.449 406 A N 1.768 124.468 122.820 -0.200 0.000 1.917 406 A HA -0.023 4.300 4.320 0.004 0.000 0.219 406 A C 2.362 179.505 177.584 -0.735 0.000 1.182 406 A CA 1.973 53.699 52.037 -0.518 0.000 0.633 406 A CB -1.132 17.419 19.000 -0.748 0.000 0.819 406 A HN 0.566 nan 8.150 nan 0.000 0.448 407 A N -0.826 121.619 122.820 -0.626 0.000 1.929 407 A HA 0.251 4.573 4.320 0.004 0.000 0.216 407 A C 2.392 179.906 177.584 -0.117 0.000 1.176 407 A CA 1.631 53.430 52.037 -0.396 0.000 0.628 407 A CB -1.272 17.607 19.000 -0.201 0.000 0.816 407 A HN 0.709 nan 8.150 nan 0.000 0.444 408 G N -0.254 108.531 108.800 -0.025 0.000 2.459 408 G HA2 -0.168 3.795 3.960 0.004 0.000 0.217 408 G HA3 -0.168 3.795 3.960 0.004 0.000 0.217 408 G C 1.522 176.448 174.900 0.042 0.000 1.183 408 G CA 1.327 46.466 45.100 0.065 0.000 0.776 408 G HN 0.291 nan 8.290 nan 0.000 0.552 409 V N 0.587 120.493 119.914 -0.014 0.000 2.407 409 V HA -0.102 4.021 4.120 0.004 0.000 0.248 409 V C 2.773 178.871 176.094 0.007 0.000 1.055 409 V CA 1.559 63.852 62.300 -0.012 0.000 1.049 409 V CB -0.311 31.471 31.823 -0.068 0.000 0.662 409 V HN 0.356 nan 8.190 nan 0.000 0.455 410 L N -0.697 120.499 121.223 -0.045 0.000 2.093 410 L HA -0.200 4.142 4.340 0.004 0.000 0.208 410 L C 2.641 179.579 176.870 0.113 0.000 1.085 410 L CA 1.605 56.465 54.840 0.032 0.000 0.755 410 L CB -0.266 41.807 42.059 0.022 0.000 0.904 410 L HN 0.399 nan 8.230 nan 0.000 0.435 411 Q N -0.636 119.205 119.800 0.069 0.000 2.030 411 Q HA -0.223 4.119 4.340 0.004 0.000 0.204 411 Q C 2.179 178.250 176.000 0.118 0.000 0.986 411 Q CA 2.445 58.297 55.803 0.081 0.000 0.843 411 Q CB -0.049 28.734 28.738 0.074 0.000 0.904 411 Q HN 0.401 nan 8.270 nan 0.000 0.420 412 V N -0.181 119.813 119.914 0.134 0.000 2.324 412 V HA -0.282 3.840 4.120 0.004 0.000 0.250 412 V C 1.813 178.007 176.094 0.167 0.000 1.060 412 V CA 2.114 64.503 62.300 0.149 0.000 1.042 412 V CB -0.813 31.098 31.823 0.147 0.000 0.650 412 V HN 0.558 nan 8.190 nan 0.000 0.450 413 W N 0.004 121.294 121.300 -0.017 0.000 2.358 413 W HA -0.127 4.531 4.660 -0.003 0.000 0.303 413 W C 2.257 178.767 176.519 -0.015 0.000 1.208 413 W CA 1.629 58.957 57.345 -0.029 0.000 1.274 413 W CB -0.150 29.295 29.460 -0.026 0.000 1.138 413 W HN 0.137 nan 8.180 nan 0.000 0.515 414 L N -0.883 120.459 121.223 0.197 0.000 2.162 414 L HA -0.082 4.260 4.340 0.004 0.000 0.205 414 L C 2.458 179.324 176.870 -0.006 0.000 1.086 414 L CA 1.391 56.268 54.840 0.063 0.000 0.778 414 L CB -0.618 41.511 42.059 0.117 0.000 0.928 414 L HN 0.062 nan 8.230 nan 0.000 0.446 415 Q N -0.477 119.340 119.800 0.028 0.000 2.387 415 Q HA -0.043 4.299 4.340 0.004 0.000 0.212 415 Q C 2.231 178.251 176.000 0.034 0.000 0.925 415 Q CA 0.221 56.040 55.803 0.026 0.000 0.901 415 Q CB 0.533 29.300 28.738 0.049 0.000 1.020 415 Q HN 0.149 nan 8.270 nan 0.000 0.545 416 R N -0.218 120.322 120.500 0.066 0.000 2.100 416 R HA 0.137 4.479 4.340 0.004 0.000 0.220 416 R C 2.141 178.525 176.300 0.139 0.000 1.091 416 R CA 1.521 57.694 56.100 0.120 0.000 0.986 416 R CB 0.106 30.537 30.300 0.218 0.000 0.888 416 R HN 0.322 nan 8.270 nan 0.000 0.444 417 M N -0.256 119.349 119.600 0.009 0.000 2.394 417 M HA 0.173 4.655 4.480 0.004 0.000 0.266 417 M C -1.207 175.039 176.300 -0.090 0.000 1.098 417 M CA 0.062 55.318 55.300 -0.075 0.000 1.149 417 M CB -0.756 31.699 32.600 -0.242 0.000 1.369 417 M HN -0.142 nan 8.290 nan 0.000 0.450 418 P HA 0.228 nan 4.420 nan 0.000 0.274 418 P C -0.455 176.814 177.300 -0.052 0.000 1.246 418 P CA -0.130 62.893 63.100 -0.128 0.000 0.795 418 P CB 0.535 32.132 31.700 -0.171 0.000 1.006 419 A N 1.015 123.808 122.820 -0.045 0.000 2.262 419 A HA 0.173 4.495 4.320 0.004 0.000 0.273 419 A C 0.063 177.634 177.584 -0.022 0.000 1.202 419 A CA -0.224 51.801 52.037 -0.019 0.000 0.811 419 A CB -0.490 18.498 19.000 -0.019 0.000 1.159 419 A HN 0.524 nan 8.150 nan 0.000 0.505 420 D N -1.000 119.392 120.400 -0.013 0.000 2.419 420 D HA 0.377 5.019 4.640 0.004 0.000 0.236 420 D C 1.371 177.659 176.300 -0.020 0.000 1.165 420 D CA 1.845 55.837 54.000 -0.014 0.000 0.882 420 D CB 0.377 41.171 40.800 -0.010 0.000 1.201 420 D HN 1.115 nan 8.370 nan 0.000 0.443 421 G N 0.648 109.436 108.800 -0.019 0.000 2.304 421 G HA2 -0.308 3.654 3.960 0.004 0.000 0.252 421 G HA3 -0.308 3.654 3.960 0.004 0.000 0.252 421 G C 0.866 175.747 174.900 -0.030 0.000 1.014 421 G CA 0.871 45.958 45.100 -0.022 0.000 0.619 421 G HN 0.789 nan 8.290 nan 0.000 0.525 422 A N -0.262 122.533 122.820 -0.043 0.000 2.287 422 A HA 0.836 5.158 4.320 0.004 0.000 0.214 422 A C 1.320 178.859 177.584 -0.075 0.000 1.228 422 A CA 1.424 53.424 52.037 -0.062 0.000 0.939 422 A CB 0.087 19.040 19.000 -0.078 0.000 0.992 422 A HN 2.039 nan 8.150 nan 0.000 0.502 423 A N 0.207 122.992 122.820 -0.059 0.000 2.371 423 A HA 0.590 4.912 4.320 0.004 0.000 0.257 423 A C 0.145 177.709 177.584 -0.033 0.000 1.089 423 A CA -0.083 51.922 52.037 -0.053 0.000 0.794 423 A CB -0.008 18.974 19.000 -0.031 0.000 1.029 423 A HN 0.570 nan 8.150 nan 0.000 0.488 424 M N 2.390 121.974 119.600 -0.027 0.000 2.277 424 M HA 0.348 4.830 4.480 0.004 0.000 0.350 424 M C 0.956 177.257 176.300 0.001 0.000 1.180 424 M CA -0.334 54.957 55.300 -0.015 0.000 1.103 424 M CB 1.103 33.693 32.600 -0.016 0.000 1.577 424 M HN 0.952 nan 8.290 nan 0.000 0.459 425 T N 1.231 115.790 114.554 0.008 0.000 2.795 425 T HA -0.006 4.347 4.350 0.004 0.000 0.314 425 T C 0.788 175.524 174.700 0.059 0.000 1.069 425 T CA -0.083 62.041 62.100 0.040 0.000 1.071 425 T CB 0.305 69.195 68.868 0.037 0.000 0.988 425 T HN 0.704 nan 8.240 nan 0.000 0.543 426 F N 1.425 121.358 119.950 -0.030 0.000 2.091 426 F HA -0.092 4.439 4.527 0.006 0.000 0.299 426 F C 2.330 178.109 175.800 -0.036 0.000 1.103 426 F CA 1.880 59.859 58.000 -0.034 0.000 1.228 426 F CB -0.239 38.730 39.000 -0.052 0.000 0.984 426 F HN 0.492 nan 8.300 nan 0.000 0.477 427 M N 0.017 119.605 119.600 -0.021 0.000 2.447 427 M HA 0.188 4.671 4.480 0.004 0.000 0.264 427 M C 1.960 178.177 176.300 -0.138 0.000 1.095 427 M CA 1.298 56.552 55.300 -0.076 0.000 1.125 427 M CB -0.812 31.828 32.600 0.068 0.000 1.389 427 M HN 0.217 nan 8.290 nan 0.000 0.459 428 A N -1.471 121.291 122.820 -0.096 0.000 1.943 428 A HA -0.029 4.293 4.320 0.004 0.000 0.213 428 A C 2.162 179.693 177.584 -0.088 0.000 1.181 428 A CA 1.603 53.599 52.037 -0.069 0.000 0.653 428 A CB -1.099 17.882 19.000 -0.032 0.000 0.833 428 A HN 0.525 nan 8.150 nan 0.000 0.451 429 T N -2.349 112.130 114.554 -0.125 0.000 2.951 429 T HA -0.138 4.215 4.350 0.004 0.000 0.268 429 T C 1.822 176.429 174.700 -0.156 0.000 1.073 429 T CA 1.375 63.411 62.100 -0.107 0.000 1.134 429 T CB -0.336 68.479 68.868 -0.089 0.000 0.884 429 T HN 0.319 nan 8.240 nan 0.000 0.479 430 Q N 1.049 120.675 119.800 -0.291 0.000 2.135 430 Q HA -0.124 4.218 4.340 0.004 0.000 0.204 430 Q C 1.907 177.859 176.000 -0.080 0.000 0.981 430 Q CA 1.756 57.405 55.803 -0.257 0.000 0.856 430 Q CB -0.485 27.975 28.738 -0.463 0.000 0.902 430 Q HN 0.627 nan 8.270 nan 0.000 0.425 431 D N 0.004 120.357 120.400 -0.079 0.000 2.123 431 D HA -0.111 4.531 4.640 0.004 0.000 0.200 431 D C 1.945 178.236 176.300 -0.015 0.000 0.976 431 D CA 0.633 54.616 54.000 -0.028 0.000 0.831 431 D CB -0.012 40.773 40.800 -0.026 0.000 0.974 431 D HN 0.153 nan 8.370 nan 0.000 0.469 432 Q N -0.030 119.757 119.800 -0.021 0.000 2.248 432 Q HA -0.132 4.210 4.340 0.004 0.000 0.208 432 Q C 1.783 177.772 176.000 -0.018 0.000 0.984 432 Q CA 0.684 56.484 55.803 -0.005 0.000 0.875 432 Q CB -0.245 28.508 28.738 0.024 0.000 0.910 432 Q HN 0.289 nan 8.270 nan 0.000 0.433 433 L N 0.022 121.208 121.223 -0.060 0.000 2.554 433 L HA 0.110 4.452 4.340 0.004 0.000 0.226 433 L C 2.096 178.768 176.870 -0.330 0.000 1.137 433 L CA 0.646 55.388 54.840 -0.163 0.000 0.863 433 L CB -1.411 40.419 42.059 -0.380 0.000 0.985 433 L HN 0.054 nan 8.230 nan 0.000 0.451 434 A N 0.350 123.101 122.820 -0.114 0.000 1.881 434 A HA -0.286 4.036 4.320 0.004 0.000 0.219 434 A C 2.251 179.850 177.584 0.025 0.000 1.215 434 A CA 2.109 54.165 52.037 0.031 0.000 0.648 434 A CB -0.866 18.204 19.000 0.117 0.000 0.832 434 A HN 0.298 nan 8.150 nan 0.000 0.455 435 I N -1.238 119.296 120.570 -0.059 0.000 2.181 435 I HA -0.286 3.886 4.170 0.004 0.000 0.247 435 I C 2.230 178.204 176.117 -0.238 0.000 1.081 435 I CA 2.119 63.328 61.300 -0.151 0.000 1.340 435 I CB -0.688 37.084 38.000 -0.381 0.000 1.036 435 I HN 0.373 nan 8.210 nan 0.000 0.417 436 F N 0.162 120.046 119.950 -0.110 0.000 2.146 436 F HA -0.218 4.311 4.527 0.004 0.000 0.298 436 F C 2.420 178.190 175.800 -0.050 0.000 1.096 436 F CA 1.328 59.253 58.000 -0.124 0.000 1.275 436 F CB -1.394 37.523 39.000 -0.139 0.000 1.008 436 F HN 0.076 nan 8.300 nan 0.000 0.480 437 Y N -1.902 118.489 120.300 0.151 0.000 2.181 437 Y HA -0.227 4.326 4.550 0.005 0.000 0.288 437 Y C 2.279 178.118 175.900 -0.101 0.000 1.146 437 Y CA 0.469 58.579 58.100 0.016 0.000 1.164 437 Y CB -1.524 36.935 38.460 -0.002 0.000 0.982 437 Y HN 0.054 nan 8.280 nan 0.000 0.515 438 W N 0.022 121.380 121.300 0.098 0.000 2.333 438 W HA -0.214 4.448 4.660 0.002 0.000 0.316 438 W C 2.290 178.737 176.519 -0.120 0.000 1.215 438 W CA 1.085 58.414 57.345 -0.026 0.000 1.278 438 W CB -0.766 28.652 29.460 -0.071 0.000 1.154 438 W HN -0.023 nan 8.180 nan 0.000 0.486 439 L N 0.125 121.326 121.223 -0.037 0.000 2.187 439 L HA -0.227 4.115 4.340 0.004 0.000 0.213 439 L C 2.781 179.442 176.870 -0.349 0.000 1.100 439 L CA 1.097 55.667 54.840 -0.450 0.000 0.765 439 L CB -0.693 40.643 42.059 -1.204 0.000 0.904 439 L HN 0.011 nan 8.230 nan 0.000 0.437 440 R N 0.116 120.578 120.500 -0.063 0.000 2.062 440 R HA -0.150 4.192 4.340 0.004 0.000 0.229 440 R C 2.012 178.370 176.300 0.096 0.000 1.128 440 R CA 1.260 57.464 56.100 0.172 0.000 0.960 440 R CB -0.147 30.270 30.300 0.194 0.000 0.855 440 R HN 0.273 nan 8.270 nan 0.000 0.432 441 E N -0.008 120.218 120.200 0.043 0.000 2.070 441 E HA -0.152 4.200 4.350 0.004 0.000 0.197 441 E C 1.840 178.489 176.600 0.081 0.000 1.004 441 E CA 1.529 57.950 56.400 0.036 0.000 0.805 441 E CB -0.616 29.115 29.700 0.051 0.000 0.744 441 E HN 0.579 nan 8.360 nan 0.000 0.451 442 G N 1.084 109.943 108.800 0.098 0.000 2.491 442 G HA2 -0.278 3.684 3.960 0.004 0.000 0.218 442 G HA3 -0.278 3.684 3.960 0.004 0.000 0.218 442 G C 1.764 176.738 174.900 0.124 0.000 1.180 442 G CA 1.908 47.062 45.100 0.091 0.000 0.774 442 G HN 0.432 nan 8.290 nan 0.000 0.562 443 A N 0.856 123.800 122.820 0.206 0.000 1.908 443 A HA 0.093 4.415 4.320 0.004 0.000 0.218 443 A C 2.739 180.435 177.584 0.186 0.000 1.181 443 A CA 2.288 54.474 52.037 0.248 0.000 0.627 443 A CB -1.214 18.042 19.000 0.426 0.000 0.818 443 A HN 0.648 nan 8.150 nan 0.000 0.445 444 G N -0.320 108.559 108.800 0.131 0.000 2.491 444 G HA2 -0.203 3.759 3.960 0.004 0.000 0.218 444 G HA3 -0.203 3.759 3.960 0.004 0.000 0.218 444 G C 1.533 176.514 174.900 0.134 0.000 1.180 444 G CA 1.506 46.660 45.100 0.089 0.000 0.774 444 G HN 0.375 nan 8.290 nan 0.000 0.562 445 V N 0.685 120.658 119.914 0.098 0.000 2.282 445 V HA -0.223 3.900 4.120 0.004 0.000 0.249 445 V C 3.062 179.216 176.094 0.100 0.000 1.057 445 V CA 1.701 64.051 62.300 0.083 0.000 1.032 445 V CB -0.764 31.090 31.823 0.052 0.000 0.645 445 V HN 0.260 nan 8.190 nan 0.000 0.447 446 V N -0.666 119.313 119.914 0.108 0.000 2.324 446 V HA -0.315 3.807 4.120 0.004 0.000 0.250 446 V C 2.128 178.290 176.094 0.113 0.000 1.060 446 V CA 2.532 64.886 62.300 0.089 0.000 1.042 446 V CB -0.832 31.032 31.823 0.068 0.000 0.650 446 V HN 0.513 nan 8.190 nan 0.000 0.450 447 F N -0.110 119.853 119.950 0.022 0.000 2.025 447 F HA -0.241 4.288 4.527 0.004 0.000 0.297 447 F C 2.326 178.132 175.800 0.010 0.000 1.132 447 F CA 1.920 59.931 58.000 0.019 0.000 1.191 447 F CB -0.394 38.618 39.000 0.019 0.000 0.963 447 F HN -0.027 nan 8.300 nan 0.000 0.481 448 L N 0.239 121.612 121.223 0.251 0.000 2.010 448 L HA -0.336 4.006 4.340 0.004 0.000 0.219 448 L C 2.413 179.277 176.870 -0.011 0.000 1.077 448 L CA 2.262 57.155 54.840 0.087 0.000 0.773 448 L CB -0.777 41.327 42.059 0.074 0.000 0.892 448 L HN 0.306 nan 8.230 nan 0.000 0.436 449 I N -0.729 119.843 120.570 0.003 0.000 2.208 449 I HA -0.236 3.936 4.170 0.004 0.000 0.245 449 I C 2.555 178.655 176.117 -0.029 0.000 1.097 449 I CA 1.406 62.696 61.300 -0.016 0.000 1.363 449 I CB -0.839 37.157 38.000 -0.007 0.000 1.051 449 I HN 0.337 nan 8.210 nan 0.000 0.413 450 G N 0.647 109.414 108.800 -0.055 0.000 2.422 450 G HA2 -0.192 3.771 3.960 0.004 0.000 0.218 450 G HA3 -0.192 3.771 3.960 0.004 0.000 0.218 450 G C 1.744 176.601 174.900 -0.071 0.000 1.140 450 G CA 0.236 45.298 45.100 -0.063 0.000 0.775 450 G HN 0.314 nan 8.290 nan 0.000 0.545 451 L N 0.251 121.377 121.223 -0.163 0.000 2.072 451 L HA 0.010 4.352 4.340 0.004 0.000 0.205 451 L C 2.843 179.707 176.870 -0.010 0.000 1.079 451 L CA 0.728 55.510 54.840 -0.096 0.000 0.752 451 L CB -0.143 41.758 42.059 -0.263 0.000 0.906 451 L HN 0.122 nan 8.230 nan 0.000 0.436 452 V N 0.066 119.956 119.914 -0.040 0.000 2.427 452 V HA -0.251 3.872 4.120 0.004 0.000 0.248 452 V C 2.701 178.787 176.094 -0.013 0.000 1.051 452 V CA 1.581 63.859 62.300 -0.035 0.000 1.048 452 V CB -0.397 31.401 31.823 -0.041 0.000 0.666 452 V HN 0.571 nan 8.190 nan 0.000 0.456 453 A N -0.966 121.863 122.820 0.016 0.000 1.855 453 A HA -0.260 4.062 4.320 0.004 0.000 0.215 453 A C 2.161 179.794 177.584 0.082 0.000 1.191 453 A CA 1.973 54.033 52.037 0.039 0.000 0.613 453 A CB -0.906 18.137 19.000 0.072 0.000 0.829 453 A HN 0.665 nan 8.150 nan 0.000 0.442 454 Y N 0.398 120.711 120.300 0.021 0.000 2.151 454 Y HA -0.263 4.289 4.550 0.004 0.000 0.284 454 Y C 2.026 177.897 175.900 -0.048 0.000 1.166 454 Y CA 1.887 60.008 58.100 0.035 0.000 1.163 454 Y CB -0.238 38.295 38.460 0.121 0.000 0.974 454 Y HN 0.241 nan 8.280 nan 0.000 0.511 455 L N 0.062 121.159 121.223 -0.209 0.000 2.012 455 L HA -0.280 4.062 4.340 0.004 0.000 0.210 455 L C 2.273 179.080 176.870 -0.106 0.000 1.073 455 L CA 1.283 56.023 54.840 -0.166 0.000 0.748 455 L CB -0.526 41.502 42.059 -0.052 0.000 0.891 455 L HN 0.341 nan 8.230 nan 0.000 0.431 456 L N -0.334 120.837 121.223 -0.088 0.000 2.622 456 L HA -0.095 4.247 4.340 0.004 0.000 0.233 456 L C 2.597 179.398 176.870 -0.116 0.000 1.156 456 L CA 0.782 55.586 54.840 -0.060 0.000 0.866 456 L CB -0.652 41.384 42.059 -0.039 0.000 0.980 456 L HN 0.410 nan 8.230 nan 0.000 0.448 457 S N -0.126 115.415 115.700 -0.265 0.000 2.469 457 S HA -0.077 4.395 4.470 0.004 0.000 0.238 457 S C 0.746 175.085 174.600 -0.434 0.000 0.998 457 S CA 0.279 58.268 58.200 -0.351 0.000 0.957 457 S CB -0.368 62.573 63.200 -0.432 0.000 0.764 457 S HN 0.251 nan 8.310 nan 0.000 0.514 458 F N 0.000 119.907 119.950 -0.072 0.000 2.286 458 F HA 0.000 4.529 4.527 0.004 0.000 0.279 458 F CA 0.000 57.965 58.000 -0.058 0.000 1.383 458 F CB 0.000 38.948 39.000 -0.087 0.000 1.145 458 F HN 0.000 nan 8.300 nan 0.000 0.574