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 1z6f_1_A DATA FIRST_RESID 4 DATA SEQUENCE NIKTMIPGVP QIDAESYILI DYNSGKVLAE QNADVRRDPA SLTKMMTSYV DATA SEQUENCE IGQAMKAGKF KETDLVTIGN DAWATGNPVF KGSSLMFLKP GMQVPVSQLI DATA SEQUENCE RGINLQSGND ACVAMADFAA GSQDAFVGLM NSYVNALGLK NTHFQTVHGL DATA SEQUENCE DADGQYSSAR DMALIGQALI RDVPNEYSIY KEKEFTFNGI RQLNRNGLLW DATA SEQUENCE DNSLNVDGIK TGHTDKAGYN LVASATEGQM RLISAVMGGR TFKGREAESK DATA SEQUENCE KLLTWGFRFF ETVNPLKVGK EFASEPVWFG DSDRASLGVD KDVYLTIPRG DATA SEQUENCE RMKDLKASYV LNSSELHAPL QKNQVVGTIN FQLDGKTIEQ RPLVVLQEIP DATA SEQUENCE EGNF 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.513 175.510 0.005 0.000 1.280 4 N CA 0.000 53.054 53.050 0.006 0.000 0.885 4 N CB 0.000 38.491 38.487 0.007 0.000 1.341 5 I N 2.820 123.394 120.570 0.007 0.000 2.286 5 I HA -0.073 4.094 4.170 -0.004 0.000 0.245 5 I C 2.199 178.318 176.117 0.003 0.000 1.104 5 I CA 1.353 62.657 61.300 0.008 0.000 1.397 5 I CB -0.484 37.522 38.000 0.010 0.000 1.072 5 I HN 0.102 nan 8.210 nan 0.000 0.417 6 K N 0.382 120.783 120.400 0.003 0.000 2.026 6 K HA -0.137 4.181 4.320 -0.004 0.000 0.208 6 K C 1.742 178.341 176.600 -0.002 0.000 1.048 6 K CA 2.000 58.288 56.287 0.001 0.000 0.929 6 K CB -0.605 31.898 32.500 0.006 0.000 0.713 6 K HN 0.450 nan 8.250 nan 0.000 0.439 7 T N -1.274 113.281 114.554 0.001 0.000 3.144 7 T HA 0.145 4.493 4.350 -0.004 0.000 0.249 7 T C 0.889 175.586 174.700 -0.005 0.000 1.089 7 T CA -0.260 61.842 62.100 0.003 0.000 0.989 7 T CB -0.172 68.701 68.868 0.009 0.000 0.992 7 T HN 0.045 nan 8.240 nan 0.000 0.540 8 M N 2.088 121.679 119.600 -0.014 0.000 2.248 8 M HA 0.234 4.712 4.480 -0.004 0.000 0.343 8 M C -0.956 175.314 176.300 -0.049 0.000 1.243 8 M CA 0.452 55.735 55.300 -0.028 0.000 1.025 8 M CB 0.154 32.735 32.600 -0.032 0.000 1.759 8 M HN 0.198 nan 8.290 nan 0.000 0.452 9 I N 8.412 128.960 120.570 -0.037 0.000 2.307 9 I HA 0.320 4.487 4.170 -0.004 0.000 0.289 9 I C -1.695 174.378 176.117 -0.072 0.000 1.021 9 I CA -1.938 59.344 61.300 -0.029 0.000 1.224 9 I CB 1.009 39.025 38.000 0.027 0.000 1.376 9 I HN 0.597 nan 8.210 nan 0.000 0.470 10 P HA 0.126 nan 4.420 nan 0.000 0.271 10 P C 0.087 177.399 177.300 0.020 0.000 1.216 10 P CA -0.211 62.690 63.100 -0.332 0.000 0.776 10 P CB 0.703 31.812 31.700 -0.986 0.000 0.881 11 G N 1.622 110.427 108.800 0.009 0.000 2.406 11 G HA2 0.368 4.326 3.960 -0.004 0.000 0.251 11 G HA3 0.368 4.326 3.960 -0.004 0.000 0.251 11 G C -0.157 174.795 174.900 0.087 0.000 1.271 11 G CA -0.509 44.629 45.100 0.063 0.000 0.859 11 G HN 0.381 nan 8.290 nan 0.000 0.540 12 V N 4.428 124.278 119.914 -0.106 0.000 2.583 12 V HA 0.232 4.350 4.120 -0.004 0.000 0.287 12 V C -1.332 174.500 176.094 -0.436 0.000 1.051 12 V CA -1.309 60.656 62.300 -0.559 0.000 1.010 12 V CB 1.088 32.651 31.823 -0.434 0.000 0.988 12 V HN 0.709 nan 8.190 nan 0.000 0.478 13 P HA 0.129 nan 4.420 nan 0.000 0.269 13 P C -0.534 176.612 177.300 -0.255 0.000 1.209 13 P CA -0.391 62.521 63.100 -0.313 0.000 0.776 13 P CB 0.477 32.005 31.700 -0.286 0.000 0.876 14 Q N 1.343 121.056 119.800 -0.144 0.000 2.337 14 Q HA 0.204 4.542 4.340 -0.004 0.000 0.270 14 Q C -0.133 175.783 176.000 -0.139 0.000 1.002 14 Q CA 0.317 56.059 55.803 -0.101 0.000 0.888 14 Q CB 0.559 29.267 28.738 -0.051 0.000 1.222 14 Q HN 0.364 nan 8.270 nan 0.000 0.400 15 I N 2.389 122.881 120.570 -0.129 0.000 2.418 15 I HA 0.071 4.239 4.170 -0.004 0.000 0.287 15 I C 0.051 176.149 176.117 -0.032 0.000 1.008 15 I CA -0.814 60.386 61.300 -0.165 0.000 1.104 15 I CB 1.542 39.279 38.000 -0.439 0.000 1.264 15 I HN 0.456 nan 8.210 nan 0.000 0.438 16 D N 6.036 126.420 120.400 -0.026 0.000 2.801 16 D HA 0.512 5.150 4.640 -0.004 0.000 0.232 16 D C -0.231 176.095 176.300 0.044 0.000 1.128 16 D CA 0.235 54.243 54.000 0.013 0.000 1.003 16 D CB 0.075 40.878 40.800 0.005 0.000 1.110 16 D HN 0.657 nan 8.370 nan 0.000 0.477 17 A N 1.268 124.131 122.820 0.072 0.000 2.606 17 A HA 0.406 4.724 4.320 -0.004 0.000 0.293 17 A C 0.849 178.495 177.584 0.103 0.000 1.082 17 A CA -0.580 51.516 52.037 0.097 0.000 0.685 17 A CB 1.132 20.198 19.000 0.111 0.000 1.284 17 A HN 0.075 nan 8.150 nan 0.000 0.408 18 E N 0.346 120.595 120.200 0.082 0.000 2.106 18 E HA -0.015 4.333 4.350 -0.004 0.000 0.192 18 E C 0.734 177.358 176.600 0.039 0.000 0.984 18 E CA 1.771 58.202 56.400 0.052 0.000 0.806 18 E CB -0.072 29.649 29.700 0.036 0.000 0.750 18 E HN 0.839 nan 8.360 nan 0.000 0.458 19 S N -0.980 114.759 115.700 0.064 0.000 2.570 19 S HA 0.605 5.072 4.470 -0.004 0.000 0.270 19 S C -0.976 173.692 174.600 0.114 0.000 1.149 19 S CA -1.040 57.167 58.200 0.012 0.000 0.837 19 S CB 1.582 64.766 63.200 -0.026 0.000 1.124 19 S HN 0.220 nan 8.310 nan 0.000 0.465 20 Y N -0.390 119.898 120.300 -0.019 0.000 2.656 20 Y HA 0.858 5.406 4.550 -0.003 0.000 0.334 20 Y C -1.601 174.282 175.900 -0.029 0.000 1.179 20 Y CA -1.367 56.720 58.100 -0.021 0.000 1.050 20 Y CB 0.937 39.378 38.460 -0.032 0.000 1.308 20 Y HN 0.970 nan 8.280 nan 0.000 0.456 21 I N 2.388 123.086 120.570 0.213 0.000 2.918 21 I HA 0.608 4.776 4.170 -0.004 0.000 0.301 21 I C -2.257 173.955 176.117 0.159 0.000 1.312 21 I CA -1.251 60.126 61.300 0.127 0.000 1.007 21 I CB 2.370 40.378 38.000 0.014 0.000 1.281 21 I HN 0.801 nan 8.210 nan 0.000 0.440 22 L N 8.101 129.396 121.223 0.120 0.000 2.406 22 L HA 0.694 5.032 4.340 -0.004 0.000 0.272 22 L C -1.229 175.640 176.870 -0.001 0.000 0.980 22 L CA -0.317 54.561 54.840 0.063 0.000 0.831 22 L CB 1.490 43.609 42.059 0.100 0.000 1.253 22 L HN 0.489 nan 8.230 nan 0.000 0.406 23 I N 0.151 120.704 120.570 -0.028 0.000 3.002 23 I HA 0.589 4.757 4.170 -0.004 0.000 0.310 23 I C -1.088 174.988 176.117 -0.068 0.000 1.087 23 I CA -0.739 60.527 61.300 -0.057 0.000 1.017 23 I CB 2.193 40.167 38.000 -0.042 0.000 1.226 23 I HN 0.545 nan 8.210 nan 0.000 0.443 24 D N 2.527 122.878 120.400 -0.083 0.000 2.249 24 D HA 0.063 4.701 4.640 -0.004 0.000 0.246 24 D C 0.300 176.572 176.300 -0.045 0.000 1.114 24 D CA -0.154 53.811 54.000 -0.059 0.000 0.854 24 D CB 1.245 42.004 40.800 -0.069 0.000 1.132 24 D HN 0.734 nan 8.370 nan 0.000 0.461 25 Y N 5.810 126.037 120.300 -0.121 0.000 2.165 25 Y HA -0.229 4.319 4.550 -0.004 0.000 0.286 25 Y C 1.518 177.305 175.900 -0.188 0.000 1.155 25 Y CA 1.762 59.775 58.100 -0.146 0.000 1.164 25 Y CB 0.024 38.394 38.460 -0.149 0.000 0.978 25 Y HN 0.425 nan 8.280 nan 0.000 0.513 26 N N -0.446 117.994 118.700 -0.435 0.000 2.207 26 N HA -0.118 4.620 4.740 -0.004 0.000 0.182 26 N C 2.010 177.270 175.510 -0.416 0.000 1.020 26 N CA 1.625 54.251 53.050 -0.707 0.000 0.858 26 N CB -0.391 37.547 38.487 -0.916 0.000 0.991 26 N HN 0.520 nan 8.380 nan 0.000 0.427 27 S N -0.714 114.869 115.700 -0.195 0.000 2.478 27 S HA 0.189 4.657 4.470 -0.004 0.000 0.222 27 S C 1.555 176.095 174.600 -0.101 0.000 1.008 27 S CA 0.846 59.001 58.200 -0.075 0.000 0.928 27 S CB 0.294 63.480 63.200 -0.024 0.000 0.781 27 S HN 0.398 nan 8.310 nan 0.000 0.518 28 G N 1.051 109.770 108.800 -0.135 0.000 2.184 28 G HA2 -0.341 3.616 3.960 -0.004 0.000 0.264 28 G HA3 -0.341 3.616 3.960 -0.004 0.000 0.264 28 G C 0.116 174.968 174.900 -0.079 0.000 0.975 28 G CA 0.488 45.524 45.100 -0.108 0.000 0.642 28 G HN 0.779 nan 8.290 nan 0.000 0.536 29 K N 0.826 121.179 120.400 -0.078 0.000 2.484 29 K HA 0.389 4.707 4.320 -0.004 0.000 0.280 29 K C 0.568 177.111 176.600 -0.095 0.000 1.013 29 K CA 0.058 56.298 56.287 -0.078 0.000 1.029 29 K CB 0.607 33.057 32.500 -0.083 0.000 0.902 29 K HN 0.217 nan 8.250 nan 0.000 0.481 30 V N 8.000 127.867 119.914 -0.079 0.000 2.389 30 V HA 0.067 4.184 4.120 -0.004 0.000 0.264 30 V C 1.258 177.292 176.094 -0.100 0.000 1.049 30 V CA -0.194 62.063 62.300 -0.072 0.000 0.932 30 V CB 0.659 32.455 31.823 -0.045 0.000 1.011 30 V HN 0.770 nan 8.190 nan 0.000 0.475 31 L N 3.793 124.935 121.223 -0.134 0.000 2.249 31 L HA 0.407 4.745 4.340 -0.004 0.000 0.207 31 L C 0.962 177.880 176.870 0.080 0.000 1.090 31 L CA 0.982 55.686 54.840 -0.226 0.000 0.802 31 L CB 0.010 41.821 42.059 -0.413 0.000 0.947 31 L HN 0.756 nan 8.230 nan 0.000 0.453 32 A N 0.454 123.342 122.820 0.114 0.000 2.604 32 A HA 0.635 4.952 4.320 -0.004 0.000 0.295 32 A C -1.356 176.285 177.584 0.094 0.000 1.067 32 A CA -0.490 51.632 52.037 0.141 0.000 0.683 32 A CB 1.528 20.595 19.000 0.112 0.000 1.281 32 A HN 0.175 nan 8.150 nan 0.000 0.407 33 E N 0.631 120.798 120.200 -0.055 0.000 2.375 33 E HA 0.620 4.968 4.350 -0.004 0.000 0.280 33 E C -1.276 174.959 176.600 -0.609 0.000 0.972 33 E CA -0.788 55.412 56.400 -0.333 0.000 0.782 33 E CB 1.630 31.224 29.700 -0.178 0.000 1.229 33 E HN 0.631 nan 8.360 nan 0.000 0.439 34 Q N 2.009 121.248 119.800 -0.935 0.000 2.263 34 Q HA 0.283 4.621 4.340 -0.004 0.000 0.262 34 Q C -0.999 174.764 176.000 -0.396 0.000 0.984 34 Q CA -0.534 54.895 55.803 -0.623 0.000 0.813 34 Q CB 0.961 29.279 28.738 -0.700 0.000 1.299 34 Q HN 0.662 nan 8.270 nan 0.000 0.428 35 N N 1.612 120.178 118.700 -0.223 0.000 2.725 35 N HA -0.257 4.481 4.740 -0.004 0.000 0.249 35 N C 0.249 175.681 175.510 -0.131 0.000 1.103 35 N CA 1.063 54.028 53.050 -0.143 0.000 0.707 35 N CB -1.143 37.280 38.487 -0.108 0.000 1.043 35 N HN 0.688 nan 8.380 nan 0.000 0.553 36 A N -0.440 122.290 122.820 -0.149 0.000 2.121 36 A HA -0.100 4.217 4.320 -0.004 0.000 0.218 36 A C 1.519 179.064 177.584 -0.065 0.000 1.154 36 A CA 1.290 53.261 52.037 -0.111 0.000 0.679 36 A CB 0.145 19.075 19.000 -0.116 0.000 0.795 36 A HN 0.296 nan 8.150 nan 0.000 0.458 37 D N -0.563 119.799 120.400 -0.064 0.000 2.369 37 D HA 0.163 4.800 4.640 -0.004 0.000 0.211 37 D C -0.067 176.203 176.300 -0.050 0.000 1.077 37 D CA 0.049 54.020 54.000 -0.048 0.000 0.842 37 D CB 0.460 41.232 40.800 -0.048 0.000 0.947 37 D HN 0.129 nan 8.370 nan 0.000 0.509 38 V N 2.165 122.046 119.914 -0.055 0.000 2.529 38 V HA -0.005 4.112 4.120 -0.004 0.000 0.292 38 V C 0.950 177.018 176.094 -0.044 0.000 1.028 38 V CA 0.029 62.295 62.300 -0.056 0.000 1.074 38 V CB 0.400 32.192 31.823 -0.052 0.000 0.958 38 V HN -0.080 nan 8.190 nan 0.000 0.481 39 R N 5.551 126.006 120.500 -0.075 0.000 2.347 39 R HA 0.538 4.875 4.340 -0.004 0.000 0.304 39 R C -0.081 176.206 176.300 -0.022 0.000 1.072 39 R CA -0.167 55.893 56.100 -0.067 0.000 0.980 39 R CB 0.680 30.816 30.300 -0.273 0.000 0.986 39 R HN 0.649 nan 8.270 nan 0.000 0.448 40 R N 0.740 121.267 120.500 0.045 0.000 2.799 40 R HA 0.149 4.486 4.340 -0.004 0.000 0.270 40 R C -1.156 175.192 176.300 0.081 0.000 1.010 40 R CA -1.133 54.994 56.100 0.044 0.000 0.916 40 R CB 1.520 31.838 30.300 0.031 0.000 1.228 40 R HN 0.483 nan 8.270 nan 0.000 0.469 41 D N 2.690 123.124 120.400 0.058 0.000 2.401 41 D HA 0.037 4.675 4.640 -0.004 0.000 0.254 41 D C -1.460 174.878 176.300 0.062 0.000 1.192 41 D CA -1.504 52.533 54.000 0.062 0.000 0.885 41 D CB 1.193 42.010 40.800 0.028 0.000 1.147 41 D HN 0.172 nan 8.370 nan 0.000 0.478 42 P HA 0.067 nan 4.420 nan 0.000 0.240 42 P C 0.504 177.864 177.300 0.101 0.000 1.190 42 P CA 0.587 63.754 63.100 0.111 0.000 0.781 42 P CB 0.229 32.036 31.700 0.179 0.000 0.931 43 A N 0.667 123.536 122.820 0.082 0.000 5.684 43 A HA -0.279 4.039 4.320 -0.004 0.000 0.306 43 A C 1.804 179.450 177.584 0.103 0.000 1.885 43 A CA 1.714 53.793 52.037 0.070 0.000 0.721 43 A CB -2.387 16.627 19.000 0.022 0.000 1.295 43 A HN 0.186 nan 8.150 nan 0.000 0.386 44 S N -0.095 115.663 115.700 0.097 0.000 2.547 44 S HA 0.047 4.515 4.470 -0.004 0.000 0.235 44 S C 1.604 176.271 174.600 0.112 0.000 0.980 44 S CA 1.198 59.461 58.200 0.106 0.000 0.941 44 S CB -0.650 62.612 63.200 0.103 0.000 0.763 44 S HN 0.495 nan 8.310 nan 0.000 0.532 45 L N 0.856 122.150 121.223 0.118 0.000 2.265 45 L HA -0.120 4.217 4.340 -0.004 0.000 0.215 45 L C 2.447 179.393 176.870 0.127 0.000 1.117 45 L CA 0.958 55.872 54.840 0.123 0.000 0.782 45 L CB -1.261 40.873 42.059 0.125 0.000 0.914 45 L HN 0.287 nan 8.230 nan 0.000 0.441 46 T N -0.243 114.395 114.554 0.140 0.000 2.778 46 T HA -0.235 4.113 4.350 -0.004 0.000 0.269 46 T C 1.840 176.487 174.700 -0.087 0.000 1.050 46 T CA 1.368 63.489 62.100 0.035 0.000 1.137 46 T CB -0.134 68.785 68.868 0.085 0.000 0.860 46 T HN 0.361 nan 8.240 nan 0.000 0.468 47 K N 0.406 120.823 120.400 0.027 0.000 2.283 47 K HA 0.130 4.447 4.320 -0.004 0.000 0.202 47 K C 2.267 178.924 176.600 0.095 0.000 1.048 47 K CA 0.695 57.011 56.287 0.049 0.000 0.948 47 K CB -0.183 32.365 32.500 0.080 0.000 0.742 47 K HN 0.387 nan 8.250 nan 0.000 0.458 48 M N -0.084 119.577 119.600 0.102 0.000 2.149 48 M HA -0.195 4.282 4.480 -0.004 0.000 0.261 48 M C 2.288 178.645 176.300 0.095 0.000 1.064 48 M CA 1.434 56.809 55.300 0.124 0.000 1.102 48 M CB -0.168 32.472 32.600 0.066 0.000 1.369 48 M HN 0.161 nan 8.290 nan 0.000 0.408 49 M N -0.015 119.568 119.600 -0.028 0.000 2.200 49 M HA -0.072 4.405 4.480 -0.004 0.000 0.265 49 M C 1.942 178.261 176.300 0.032 0.000 1.066 49 M CA 1.830 57.083 55.300 -0.079 0.000 1.127 49 M CB -0.621 31.728 32.600 -0.417 0.000 1.379 49 M HN 0.091 nan 8.290 nan 0.000 0.420 50 T N -0.574 114.011 114.554 0.053 0.000 2.684 50 T HA -0.162 4.186 4.350 -0.004 0.000 0.267 50 T C 1.976 176.854 174.700 0.297 0.000 1.036 50 T CA 1.988 64.261 62.100 0.288 0.000 1.148 50 T CB -0.694 68.258 68.868 0.140 0.000 0.863 50 T HN 0.568 nan 8.240 nan 0.000 0.436 51 S N 0.050 115.870 115.700 0.200 0.000 2.370 51 S HA -0.175 4.293 4.470 -0.004 0.000 0.226 51 S C 1.875 176.588 174.600 0.188 0.000 1.033 51 S CA 1.244 59.563 58.200 0.199 0.000 1.011 51 S CB -0.659 62.701 63.200 0.266 0.000 0.852 51 S HN 0.599 nan 8.310 nan 0.000 0.457 52 Y N 1.701 122.025 120.300 0.039 0.000 2.128 52 Y HA -0.145 4.403 4.550 -0.004 0.000 0.284 52 Y C 2.269 178.071 175.900 -0.163 0.000 1.154 52 Y CA 2.050 60.103 58.100 -0.079 0.000 1.149 52 Y CB -0.463 37.909 38.460 -0.148 0.000 0.976 52 Y HN 0.155 nan 8.280 nan 0.000 0.505 53 V N 0.465 120.362 119.914 -0.029 0.000 2.295 53 V HA -0.337 3.780 4.120 -0.004 0.000 0.246 53 V C 2.301 178.398 176.094 0.005 0.000 1.049 53 V CA 2.179 64.413 62.300 -0.109 0.000 1.024 53 V CB -0.641 31.041 31.823 -0.235 0.000 0.648 53 V HN 0.451 nan 8.190 nan 0.000 0.447 54 I N 0.726 121.411 120.570 0.192 0.000 2.226 54 I HA -0.180 3.987 4.170 -0.004 0.000 0.245 54 I C 2.617 178.761 176.117 0.046 0.000 1.100 54 I CA 1.747 63.206 61.300 0.264 0.000 1.374 54 I CB -0.951 37.236 38.000 0.313 0.000 1.057 54 I HN 0.411 nan 8.210 nan 0.000 0.413 55 G N -0.045 108.730 108.800 -0.043 0.000 2.440 55 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.218 55 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.218 55 G C 1.589 176.347 174.900 -0.236 0.000 1.154 55 G CA 0.403 45.425 45.100 -0.131 0.000 0.767 55 G HN 0.303 nan 8.290 nan 0.000 0.552 56 Q N 0.378 119.970 119.800 -0.348 0.000 2.084 56 Q HA -0.022 4.316 4.340 -0.004 0.000 0.202 56 Q C 3.022 178.898 176.000 -0.207 0.000 0.978 56 Q CA 1.388 56.996 55.803 -0.325 0.000 0.844 56 Q CB -0.574 27.912 28.738 -0.420 0.000 0.898 56 Q HN 0.463 nan 8.270 nan 0.000 0.426 57 A N 0.849 123.554 122.820 -0.192 0.000 1.902 57 A HA -0.164 4.153 4.320 -0.004 0.000 0.217 57 A C 2.194 179.482 177.584 -0.493 0.000 1.181 57 A CA 1.517 53.393 52.037 -0.268 0.000 0.623 57 A CB -0.510 18.384 19.000 -0.177 0.000 0.818 57 A HN 0.302 nan 8.150 nan 0.000 0.443 58 M N -0.792 118.485 119.600 -0.540 0.000 2.117 58 M HA -0.150 4.328 4.480 -0.004 0.000 0.262 58 M C 2.267 178.415 176.300 -0.252 0.000 1.065 58 M CA 2.025 57.048 55.300 -0.462 0.000 1.114 58 M CB -0.376 32.042 32.600 -0.303 0.000 1.361 58 M HN 0.460 nan 8.290 nan 0.000 0.408 59 K N 0.833 121.117 120.400 -0.195 0.000 2.152 59 K HA -0.121 4.197 4.320 -0.004 0.000 0.206 59 K C 1.717 178.248 176.600 -0.115 0.000 1.048 59 K CA 1.462 57.670 56.287 -0.131 0.000 0.933 59 K CB -0.037 32.388 32.500 -0.125 0.000 0.721 59 K HN 0.309 nan 8.250 nan 0.000 0.447 60 A N 0.050 122.789 122.820 -0.136 0.000 2.208 60 A HA 0.185 4.503 4.320 -0.004 0.000 0.209 60 A C 1.284 178.806 177.584 -0.104 0.000 1.161 60 A CA 0.811 52.787 52.037 -0.101 0.000 0.782 60 A CB -0.323 18.624 19.000 -0.088 0.000 0.816 60 A HN 0.547 nan 8.150 nan 0.000 0.477 61 G N -0.371 108.342 108.800 -0.144 0.000 2.137 61 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.237 61 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.237 61 G C 0.859 175.691 174.900 -0.113 0.000 1.002 61 G CA 0.590 45.620 45.100 -0.115 0.000 0.702 61 G HN 0.374 nan 8.290 nan 0.000 0.515 62 K N -0.841 119.441 120.400 -0.197 0.000 2.148 62 K HA 0.169 4.487 4.320 -0.004 0.000 0.204 62 K C 0.995 177.630 176.600 0.057 0.000 1.050 62 K CA 1.693 57.921 56.287 -0.097 0.000 0.942 62 K CB -0.184 32.263 32.500 -0.089 0.000 0.724 62 K HN 0.951 nan 8.250 nan 0.000 0.446 63 F N -0.647 119.326 119.950 0.039 0.000 2.741 63 F HA 0.478 5.003 4.527 -0.004 0.000 0.313 63 F C -0.969 174.889 175.800 0.096 0.000 1.153 63 F CA -1.728 56.333 58.000 0.102 0.000 0.931 63 F CB 1.068 40.213 39.000 0.240 0.000 1.335 63 F HN -0.255 nan 8.300 nan 0.000 0.460 64 K N -0.005 120.609 120.400 0.357 0.000 2.400 64 K HA 0.372 4.690 4.320 -0.004 0.000 0.246 64 K C 0.147 176.879 176.600 0.220 0.000 0.995 64 K CA -0.209 56.194 56.287 0.194 0.000 0.840 64 K CB 2.410 34.975 32.500 0.108 0.000 1.293 64 K HN 0.970 nan 8.250 nan 0.000 0.445 65 E N 0.666 120.943 120.200 0.128 0.000 2.209 65 E HA -0.207 4.141 4.350 -0.004 0.000 0.196 65 E C 0.921 177.557 176.600 0.061 0.000 0.993 65 E CA 2.144 58.598 56.400 0.089 0.000 0.819 65 E CB -0.213 29.513 29.700 0.043 0.000 0.745 65 E HN 0.772 nan 8.360 nan 0.000 0.477 66 T N -1.553 113.039 114.554 0.064 0.000 3.088 66 T HA 0.006 4.354 4.350 -0.004 0.000 0.259 66 T C 0.298 175.023 174.700 0.042 0.000 1.122 66 T CA -0.001 62.126 62.100 0.044 0.000 1.095 66 T CB -0.113 68.780 68.868 0.042 0.000 0.930 66 T HN -0.028 nan 8.240 nan 0.000 0.508 67 D N 1.959 122.404 120.400 0.075 0.000 2.455 67 D HA 0.230 4.867 4.640 -0.004 0.000 0.241 67 D C 0.045 176.308 176.300 -0.060 0.000 1.138 67 D CA -0.020 54.024 54.000 0.073 0.000 0.877 67 D CB 0.753 41.685 40.800 0.219 0.000 1.187 67 D HN 0.364 nan 8.370 nan 0.000 0.451 68 L N 1.914 123.101 121.223 -0.060 0.000 2.305 68 L HA 0.272 4.610 4.340 -0.004 0.000 0.281 68 L C -0.013 176.696 176.870 -0.269 0.000 1.085 68 L CA -0.800 53.962 54.840 -0.130 0.000 0.813 68 L CB 1.065 43.094 42.059 -0.050 0.000 1.157 68 L HN -0.015 nan 8.230 nan 0.000 0.436 69 V N 2.136 121.804 119.914 -0.411 0.000 2.394 69 V HA 0.252 4.370 4.120 -0.004 0.000 0.282 69 V C 0.318 176.283 176.094 -0.216 0.000 1.031 69 V CA -0.490 61.488 62.300 -0.537 0.000 0.881 69 V CB 1.603 32.964 31.823 -0.770 0.000 0.982 69 V HN 0.735 nan 8.190 nan 0.000 0.451 70 T N 6.461 120.955 114.554 -0.100 0.000 2.743 70 T HA 0.427 4.774 4.350 -0.004 0.000 0.293 70 T C 0.113 174.796 174.700 -0.029 0.000 0.945 70 T CA -0.267 61.809 62.100 -0.040 0.000 1.030 70 T CB 0.334 69.201 68.868 -0.002 0.000 0.912 70 T HN 0.287 nan 8.240 nan 0.000 0.483 71 I N 3.755 124.309 120.570 -0.028 0.000 2.533 71 I HA 0.267 4.434 4.170 -0.004 0.000 0.284 71 I C 1.225 177.349 176.117 0.011 0.000 1.109 71 I CA -0.100 61.194 61.300 -0.010 0.000 1.412 71 I CB 0.057 38.057 38.000 0.001 0.000 1.396 71 I HN 0.654 nan 8.210 nan 0.000 0.543 72 G N 4.622 113.444 108.800 0.038 0.000 2.511 72 G HA2 0.098 4.055 3.960 -0.004 0.000 0.316 72 G HA3 0.098 4.055 3.960 -0.004 0.000 0.316 72 G C 0.869 175.838 174.900 0.116 0.000 1.210 72 G CA -0.508 44.627 45.100 0.059 0.000 0.969 72 G HN 0.709 nan 8.290 nan 0.000 0.492 73 N N -0.399 118.383 118.700 0.136 0.000 2.149 73 N HA -0.150 4.587 4.740 -0.004 0.000 0.188 73 N C 1.152 176.844 175.510 0.303 0.000 1.019 73 N CA 1.448 54.649 53.050 0.252 0.000 0.857 73 N CB 0.023 38.643 38.487 0.221 0.000 0.997 73 N HN 0.430 nan 8.380 nan 0.000 0.426 74 D N -0.005 120.515 120.400 0.201 0.000 2.310 74 D HA -0.036 4.602 4.640 -0.004 0.000 0.212 74 D C 1.069 177.536 176.300 0.279 0.000 0.965 74 D CA 0.460 54.571 54.000 0.184 0.000 0.879 74 D CB -0.033 40.835 40.800 0.114 0.000 0.921 74 D HN 0.351 nan 8.370 nan 0.000 0.510 75 A N -0.267 122.714 122.820 0.268 0.000 2.430 75 A HA 0.065 4.383 4.320 -0.004 0.000 0.243 75 A C 0.179 177.922 177.584 0.264 0.000 1.254 75 A CA -0.548 51.633 52.037 0.240 0.000 0.914 75 A CB -0.362 18.694 19.000 0.093 0.000 0.998 75 A HN 0.181 nan 8.150 nan 0.000 0.515 76 W N 1.390 122.771 121.300 0.135 0.000 2.605 76 W HA 0.442 5.100 4.660 -0.004 0.000 0.327 76 W C 0.891 177.504 176.519 0.156 0.000 1.332 76 W CA -1.021 56.390 57.345 0.110 0.000 1.403 76 W CB -0.044 29.479 29.460 0.106 0.000 1.452 76 W HN 0.266 nan 8.180 nan 0.000 0.503 77 A N 4.031 126.977 122.820 0.211 0.000 1.892 77 A HA -0.244 4.074 4.320 -0.004 0.000 0.218 77 A C 1.977 179.555 177.584 -0.009 0.000 1.188 77 A CA 2.622 54.594 52.037 -0.108 0.000 0.631 77 A CB -1.046 17.768 19.000 -0.311 0.000 0.822 77 A HN 0.743 nan 8.150 nan 0.000 0.447 78 T N -3.822 110.686 114.554 -0.077 0.000 3.188 78 T HA 0.375 4.722 4.350 -0.004 0.000 0.250 78 T C 1.078 175.282 174.700 -0.827 0.000 1.077 78 T CA 0.760 62.739 62.100 -0.201 0.000 0.967 78 T CB 0.304 69.246 68.868 0.123 0.000 1.006 78 T HN 0.401 nan 8.240 nan 0.000 0.552 79 G N 1.037 108.929 108.800 -1.514 0.000 3.277 79 G HA2 0.250 4.207 3.960 -0.004 0.000 0.243 79 G HA3 0.250 4.207 3.960 -0.004 0.000 0.243 79 G C 0.147 174.651 174.900 -0.660 0.000 1.107 79 G CA -0.595 43.407 45.100 -1.830 0.000 0.771 79 G HN 0.483 nan 8.290 nan 0.000 0.544 80 N N 0.432 118.915 118.700 -0.360 0.000 2.653 80 N HA 0.166 4.903 4.740 -0.004 0.000 0.261 80 N C -2.595 172.776 175.510 -0.232 0.000 1.216 80 N CA -0.799 52.098 53.050 -0.255 0.000 0.784 80 N CB 2.565 40.884 38.487 -0.281 0.000 1.327 80 N HN -0.187 nan 8.380 nan 0.000 0.539 81 P HA -0.125 nan 4.420 nan 0.000 0.224 81 P C 1.559 178.769 177.300 -0.150 0.000 1.142 81 P CA 0.477 63.500 63.100 -0.128 0.000 0.778 81 P CB 0.593 32.230 31.700 -0.104 0.000 0.764 82 V N -1.413 118.340 119.914 -0.268 0.000 2.568 82 V HA -0.208 3.910 4.120 -0.004 0.000 0.253 82 V C 1.550 177.479 176.094 -0.275 0.000 1.072 82 V CA 1.630 63.743 62.300 -0.310 0.000 1.084 82 V CB -1.038 30.528 31.823 -0.429 0.000 0.676 82 V HN 0.073 nan 8.190 nan 0.000 0.469 83 F N -0.092 119.776 119.950 -0.137 0.000 2.797 83 F HA 0.196 4.720 4.527 -0.004 0.000 0.302 83 F C 1.324 177.046 175.800 -0.129 0.000 1.130 83 F CA -0.091 57.810 58.000 -0.164 0.000 1.387 83 F CB 0.044 38.933 39.000 -0.186 0.000 1.107 83 F HN 0.000 nan 8.300 nan 0.000 0.577 84 K N 0.966 121.396 120.400 0.050 0.000 2.453 84 K HA 0.124 4.442 4.320 -0.004 0.000 0.280 84 K C 1.175 177.792 176.600 0.029 0.000 1.045 84 K CA 0.947 57.253 56.287 0.032 0.000 1.059 84 K CB 0.082 32.585 32.500 0.005 0.000 0.901 84 K HN 0.376 nan 8.250 nan 0.000 0.475 85 G N 2.537 111.359 108.800 0.038 0.000 2.148 85 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.254 85 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.254 85 G C -0.022 174.894 174.900 0.026 0.000 0.981 85 G CA 0.552 45.673 45.100 0.035 0.000 0.670 85 G HN 0.840 nan 8.290 nan 0.000 0.528 86 S N -0.972 114.733 115.700 0.009 0.000 2.713 86 S HA 0.759 5.227 4.470 -0.004 0.000 0.283 86 S C 0.423 174.989 174.600 -0.057 0.000 1.161 86 S CA 0.485 58.678 58.200 -0.012 0.000 0.999 86 S CB 1.922 65.120 63.200 -0.003 0.000 1.039 86 S HN 1.401 nan 8.310 nan 0.000 0.548 87 S N 0.572 116.243 115.700 -0.049 0.000 2.510 87 S HA 0.493 4.961 4.470 -0.004 0.000 0.279 87 S C -0.746 173.746 174.600 -0.181 0.000 1.284 87 S CA -0.571 57.592 58.200 -0.062 0.000 1.059 87 S CB -1.161 62.036 63.200 -0.006 0.000 0.901 87 S HN 0.578 nan 8.310 nan 0.000 0.491 88 L N 5.452 126.524 121.223 -0.253 0.000 2.493 88 L HA 0.354 4.692 4.340 -0.004 0.000 0.265 88 L C 0.846 177.518 176.870 -0.331 0.000 0.954 88 L CA -0.517 54.029 54.840 -0.489 0.000 0.844 88 L CB 1.885 43.355 42.059 -0.981 0.000 1.302 88 L HN 0.663 nan 8.230 nan 0.000 0.405 89 M N 1.911 121.362 119.600 -0.248 0.000 2.460 89 M HA 0.046 4.524 4.480 -0.004 0.000 0.263 89 M C -0.119 176.299 176.300 0.198 0.000 1.071 89 M CA 1.090 56.362 55.300 -0.046 0.000 1.096 89 M CB -0.068 32.376 32.600 -0.261 0.000 1.408 89 M HN 0.553 nan 8.290 nan 0.000 0.463 90 F N -0.222 119.734 119.950 0.010 0.000 3.040 90 F HA -0.201 4.324 4.527 -0.004 0.000 0.298 90 F C -0.289 175.602 175.800 0.152 0.000 0.948 90 F CA -0.534 57.513 58.000 0.079 0.000 1.022 90 F CB -1.891 37.169 39.000 0.100 0.000 1.023 90 F HN -0.014 nan 8.300 nan 0.000 0.742 91 L N 1.015 122.333 121.223 0.159 0.000 2.483 91 L HA 0.245 4.583 4.340 -0.004 0.000 0.276 91 L C 0.568 177.575 176.870 0.228 0.000 1.213 91 L CA 0.200 55.142 54.840 0.169 0.000 0.843 91 L CB 0.470 42.546 42.059 0.028 0.000 1.107 91 L HN 0.159 nan 8.230 nan 0.000 0.487 92 K N 2.984 123.473 120.400 0.148 0.000 2.385 92 K HA 0.512 4.829 4.320 -0.004 0.000 0.248 92 K C -2.488 174.057 176.600 -0.092 0.000 0.955 92 K CA -1.822 54.465 56.287 -0.000 0.000 0.816 92 K CB 1.738 34.207 32.500 -0.052 0.000 1.250 92 K HN 0.269 nan 8.250 nan 0.000 0.434 93 P HA -0.006 nan 4.420 nan 0.000 0.268 93 P C 0.531 177.750 177.300 -0.136 0.000 1.204 93 P CA 0.792 63.791 63.100 -0.167 0.000 0.768 93 P CB 0.593 32.135 31.700 -0.263 0.000 0.842 94 G N 1.698 110.455 108.800 -0.073 0.000 2.241 94 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.244 94 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.244 94 G C 0.291 175.170 174.900 -0.035 0.000 0.998 94 G CA -0.225 44.840 45.100 -0.057 0.000 0.621 94 G HN 0.457 nan 8.290 nan 0.000 0.519 95 M N 0.886 120.473 119.600 -0.021 0.000 2.252 95 M HA 0.262 4.740 4.480 -0.004 0.000 0.329 95 M C 0.527 176.829 176.300 0.003 0.000 1.101 95 M CA 0.980 56.287 55.300 0.011 0.000 1.117 95 M CB 0.366 33.009 32.600 0.070 0.000 1.563 95 M HN 0.268 nan 8.290 nan 0.000 0.445 96 Q N 2.450 122.254 119.800 0.007 0.000 2.381 96 Q HA 0.481 4.819 4.340 -0.004 0.000 0.263 96 Q C -1.433 174.570 176.000 0.005 0.000 1.030 96 Q CA -0.522 55.273 55.803 -0.013 0.000 0.772 96 Q CB 1.789 30.518 28.738 -0.016 0.000 1.232 96 Q HN 0.463 nan 8.270 nan 0.000 0.476 97 V N 3.908 123.810 119.914 -0.021 0.000 2.495 97 V HA 0.394 4.511 4.120 -0.004 0.000 0.298 97 V C -2.261 173.788 176.094 -0.074 0.000 1.031 97 V CA -2.389 59.923 62.300 0.021 0.000 0.871 97 V CB 1.611 33.451 31.823 0.029 0.000 0.988 97 V HN 0.591 nan 8.190 nan 0.000 0.432 98 P HA 0.077 nan 4.420 nan 0.000 0.266 98 P C 1.140 178.369 177.300 -0.118 0.000 1.195 98 P CA 0.130 63.193 63.100 -0.062 0.000 0.768 98 P CB 0.721 32.422 31.700 0.002 0.000 0.838 99 V N 2.498 122.318 119.914 -0.156 0.000 2.317 99 V HA -0.322 3.796 4.120 -0.004 0.000 0.251 99 V C 2.375 178.420 176.094 -0.082 0.000 1.065 99 V CA 2.859 65.072 62.300 -0.144 0.000 1.049 99 V CB -1.536 30.279 31.823 -0.013 0.000 0.651 99 V HN 0.756 nan 8.190 nan 0.000 0.450 100 S N -0.680 114.996 115.700 -0.040 0.000 2.387 100 S HA -0.308 4.160 4.470 -0.004 0.000 0.230 100 S C 1.872 176.416 174.600 -0.094 0.000 1.035 100 S CA 1.602 59.774 58.200 -0.046 0.000 1.014 100 S CB -0.421 62.774 63.200 -0.008 0.000 0.836 100 S HN 0.648 nan 8.310 nan 0.000 0.466 101 Q N 0.945 120.713 119.800 -0.054 0.000 2.096 101 Q HA 0.206 4.544 4.340 -0.004 0.000 0.197 101 Q C 2.436 178.311 176.000 -0.209 0.000 0.964 101 Q CA 0.944 56.731 55.803 -0.027 0.000 0.838 101 Q CB -0.430 28.393 28.738 0.143 0.000 0.906 101 Q HN 0.586 nan 8.270 nan 0.000 0.444 102 L N 0.940 122.033 121.223 -0.217 0.000 2.093 102 L HA -0.128 4.210 4.340 -0.004 0.000 0.208 102 L C 2.468 179.174 176.870 -0.274 0.000 1.085 102 L CA 0.855 55.533 54.840 -0.269 0.000 0.755 102 L CB -0.612 41.296 42.059 -0.251 0.000 0.904 102 L HN 0.238 nan 8.230 nan 0.000 0.435 103 I N -2.565 117.864 120.570 -0.236 0.000 2.546 103 I HA -0.190 3.977 4.170 -0.004 0.000 0.255 103 I C 2.509 178.408 176.117 -0.365 0.000 1.163 103 I CA 1.116 62.279 61.300 -0.228 0.000 1.457 103 I CB -0.366 37.556 38.000 -0.130 0.000 1.092 103 I HN 0.097 nan 8.210 nan 0.000 0.434 104 R N 1.593 121.786 120.500 -0.511 0.000 2.115 104 R HA 0.040 4.377 4.340 -0.004 0.000 0.226 104 R C 2.513 178.240 176.300 -0.955 0.000 1.100 104 R CA 1.243 56.851 56.100 -0.819 0.000 0.980 104 R CB -0.564 29.077 30.300 -1.098 0.000 0.875 104 R HN 0.570 nan 8.270 nan 0.000 0.445 105 G N 1.094 109.436 108.800 -0.763 0.000 2.422 105 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.218 105 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.218 105 G C 1.401 176.160 174.900 -0.235 0.000 1.146 105 G CA 0.644 45.534 45.100 -0.351 0.000 0.769 105 G HN 0.156 nan 8.290 nan 0.000 0.547 106 I N 0.779 121.198 120.570 -0.252 0.000 2.193 106 I HA -0.112 4.055 4.170 -0.004 0.000 0.240 106 I C 2.490 178.510 176.117 -0.163 0.000 1.084 106 I CA 0.928 62.130 61.300 -0.165 0.000 1.365 106 I CB -0.218 37.698 38.000 -0.140 0.000 1.064 106 I HN 0.056 nan 8.210 nan 0.000 0.410 107 N N 0.721 119.246 118.700 -0.292 0.000 2.135 107 N HA -0.077 4.661 4.740 -0.004 0.000 0.186 107 N C 1.763 177.124 175.510 -0.248 0.000 1.027 107 N CA 1.220 54.027 53.050 -0.406 0.000 0.849 107 N CB -0.353 37.622 38.487 -0.853 0.000 1.002 107 N HN 0.134 nan 8.380 nan 0.000 0.425 108 L N 0.685 121.761 121.223 -0.245 0.000 2.068 108 L HA 0.059 4.397 4.340 -0.004 0.000 0.204 108 L C 2.126 179.024 176.870 0.047 0.000 1.076 108 L CA 1.413 56.210 54.840 -0.072 0.000 0.753 108 L CB -0.435 41.592 42.059 -0.054 0.000 0.910 108 L HN 0.208 nan 8.230 nan 0.000 0.439 109 Q N -1.134 118.686 119.800 0.033 0.000 2.281 109 Q HA 0.076 4.413 4.340 -0.004 0.000 0.215 109 Q C 0.127 176.156 176.000 0.049 0.000 0.867 109 Q CA 0.271 56.134 55.803 0.100 0.000 0.940 109 Q CB 0.675 29.529 28.738 0.193 0.000 1.111 109 Q HN 0.349 nan 8.270 nan 0.000 0.513 110 S N 0.344 116.052 115.700 0.013 0.000 3.631 110 S HA -0.177 4.291 4.470 -0.004 0.000 0.366 110 S C 0.232 174.819 174.600 -0.022 0.000 0.993 110 S CA 0.398 58.606 58.200 0.013 0.000 1.167 110 S CB -1.576 61.657 63.200 0.055 0.000 0.909 110 S HN 0.655 nan 8.310 nan 0.000 0.478 111 G N 0.620 109.381 108.800 -0.065 0.000 2.335 111 G HA2 0.310 4.267 3.960 -0.004 0.000 0.268 111 G HA3 0.310 4.267 3.960 -0.004 0.000 0.268 111 G C 0.629 175.443 174.900 -0.143 0.000 1.228 111 G CA -0.409 44.613 45.100 -0.130 0.000 0.968 111 G HN 0.553 nan 8.290 nan 0.000 0.459 112 N N 1.478 120.068 118.700 -0.184 0.000 2.270 112 N HA -0.083 4.654 4.740 -0.004 0.000 0.181 112 N C 1.858 177.282 175.510 -0.144 0.000 1.016 112 N CA 1.342 54.339 53.050 -0.088 0.000 0.870 112 N CB 0.133 38.578 38.487 -0.070 0.000 0.979 112 N HN 0.666 nan 8.380 nan 0.000 0.431 113 D N 0.940 121.009 120.400 -0.551 0.000 2.117 113 D HA -0.090 4.548 4.640 -0.004 0.000 0.198 113 D C 1.763 177.927 176.300 -0.226 0.000 0.982 113 D CA 1.217 54.896 54.000 -0.535 0.000 0.828 113 D CB -0.777 39.602 40.800 -0.700 0.000 0.967 113 D HN 0.211 nan 8.370 nan 0.000 0.464 114 A N 0.399 123.078 122.820 -0.234 0.000 1.940 114 A HA -0.176 4.141 4.320 -0.004 0.000 0.219 114 A C 2.531 180.015 177.584 -0.166 0.000 1.176 114 A CA 1.571 53.486 52.037 -0.203 0.000 0.631 114 A CB -1.171 17.693 19.000 -0.226 0.000 0.814 114 A HN 0.464 nan 8.150 nan 0.000 0.446 115 C N -1.398 117.827 119.300 -0.125 0.000 2.432 115 C HA -0.077 4.380 4.460 -0.004 0.000 0.277 115 C C 2.748 177.616 174.990 -0.203 0.000 1.249 115 C CA 1.117 60.047 59.018 -0.148 0.000 1.725 115 C CB -1.274 26.438 27.740 -0.047 0.000 2.028 115 C HN 0.481 nan 8.230 nan 0.000 0.477 116 V N 1.395 121.272 119.914 -0.063 0.000 2.295 116 V HA -0.221 3.896 4.120 -0.004 0.000 0.246 116 V C 2.718 178.760 176.094 -0.085 0.000 1.049 116 V CA 2.256 64.531 62.300 -0.043 0.000 1.024 116 V CB -1.339 30.575 31.823 0.151 0.000 0.648 116 V HN 0.604 nan 8.190 nan 0.000 0.447 117 A N -0.471 122.301 122.820 -0.080 0.000 1.883 117 A HA -0.238 4.080 4.320 -0.004 0.000 0.217 117 A C 2.218 179.734 177.584 -0.114 0.000 1.186 117 A CA 2.181 54.166 52.037 -0.087 0.000 0.624 117 A CB -0.481 18.447 19.000 -0.120 0.000 0.822 117 A HN 0.412 nan 8.150 nan 0.000 0.444 118 M N -0.612 118.883 119.600 -0.174 0.000 2.254 118 M HA -0.025 4.453 4.480 -0.004 0.000 0.265 118 M C 2.469 178.655 176.300 -0.190 0.000 1.066 118 M CA 1.339 56.543 55.300 -0.161 0.000 1.123 118 M CB -1.494 31.008 32.600 -0.163 0.000 1.388 118 M HN 0.499 nan 8.290 nan 0.000 0.425 119 A N 0.466 123.031 122.820 -0.426 0.000 1.873 119 A HA -0.169 4.149 4.320 -0.004 0.000 0.215 119 A C 1.887 179.423 177.584 -0.081 0.000 1.186 119 A CA 1.878 53.560 52.037 -0.592 0.000 0.616 119 A CB -0.669 17.869 19.000 -0.770 0.000 0.823 119 A HN 0.362 nan 8.150 nan 0.000 0.442 120 D N -1.199 119.174 120.400 -0.046 0.000 2.144 120 D HA -0.110 4.528 4.640 -0.004 0.000 0.199 120 D C 1.584 177.929 176.300 0.075 0.000 0.984 120 D CA 1.042 55.062 54.000 0.034 0.000 0.834 120 D CB -0.410 40.412 40.800 0.037 0.000 0.955 120 D HN 0.429 nan 8.370 nan 0.000 0.465 121 F N 1.485 121.369 119.950 -0.110 0.000 2.102 121 F HA -0.102 4.423 4.527 -0.004 0.000 0.298 121 F C 2.183 177.910 175.800 -0.120 0.000 1.105 121 F CA 1.496 59.401 58.000 -0.158 0.000 1.239 121 F CB -0.224 38.600 39.000 -0.293 0.000 0.991 121 F HN -0.060 nan 8.300 nan 0.000 0.474 122 A N -0.776 122.052 122.820 0.013 0.000 1.970 122 A HA 0.348 4.665 4.320 -0.004 0.000 0.216 122 A C 1.916 179.601 177.584 0.168 0.000 1.170 122 A CA 1.285 53.409 52.037 0.144 0.000 0.645 122 A CB -0.901 18.383 19.000 0.473 0.000 0.816 122 A HN 0.448 nan 8.150 nan 0.000 0.447 123 A N -3.381 119.553 122.820 0.189 0.000 2.600 123 A HA 0.490 4.808 4.320 -0.004 0.000 0.252 123 A C 1.568 179.212 177.584 0.100 0.000 1.200 123 A CA 0.907 53.047 52.037 0.170 0.000 0.981 123 A CB -0.116 19.053 19.000 0.282 0.000 1.207 123 A HN 1.800 nan 8.150 nan 0.000 0.577 124 G N -0.092 108.748 108.800 0.067 0.000 2.420 124 G HA2 -0.153 3.804 3.960 -0.004 0.000 0.221 124 G HA3 -0.153 3.804 3.960 -0.004 0.000 0.221 124 G C 0.488 175.419 174.900 0.051 0.000 1.117 124 G CA 0.647 45.772 45.100 0.042 0.000 0.657 124 G HN 2.111 nan 8.290 nan 0.000 0.512 125 S N -1.060 114.682 115.700 0.071 0.000 2.570 125 S HA 0.659 5.127 4.470 -0.004 0.000 0.270 125 S C 0.460 175.110 174.600 0.083 0.000 1.149 125 S CA 0.392 58.628 58.200 0.061 0.000 0.837 125 S CB 1.724 64.955 63.200 0.051 0.000 1.124 125 S HN 0.296 nan 8.310 nan 0.000 0.465 126 Q N 0.441 120.270 119.800 0.048 0.000 2.096 126 Q HA -0.153 4.185 4.340 -0.004 0.000 0.204 126 Q C 0.804 176.857 176.000 0.090 0.000 0.982 126 Q CA 2.077 57.904 55.803 0.040 0.000 0.850 126 Q CB -0.312 28.415 28.738 -0.018 0.000 0.901 126 Q HN 0.712 nan 8.270 nan 0.000 0.422 127 D N 0.364 120.803 120.400 0.065 0.000 2.123 127 D HA -0.148 4.490 4.640 -0.004 0.000 0.196 127 D C 1.760 178.106 176.300 0.077 0.000 0.992 127 D CA 1.454 55.491 54.000 0.063 0.000 0.833 127 D CB -0.238 40.589 40.800 0.045 0.000 0.954 127 D HN 0.284 nan 8.370 nan 0.000 0.455 128 A N -0.025 122.846 122.820 0.086 0.000 1.930 128 A HA -0.143 4.174 4.320 -0.004 0.000 0.217 128 A C 2.133 179.777 177.584 0.100 0.000 1.175 128 A CA 0.877 52.960 52.037 0.076 0.000 0.627 128 A CB -0.961 18.081 19.000 0.070 0.000 0.815 128 A HN 0.250 nan 8.150 nan 0.000 0.443 129 F N 0.562 120.519 119.950 0.010 0.000 2.134 129 F HA -0.154 4.370 4.527 -0.004 0.000 0.299 129 F C 2.269 178.074 175.800 0.010 0.000 1.097 129 F CA 1.910 59.921 58.000 0.018 0.000 1.264 129 F CB -0.115 38.889 39.000 0.006 0.000 1.001 129 F HN 0.036 nan 8.300 nan 0.000 0.479 130 V N 0.290 120.331 119.914 0.213 0.000 2.392 130 V HA -0.281 3.837 4.120 -0.004 0.000 0.249 130 V C 2.743 178.849 176.094 0.020 0.000 1.059 130 V CA 1.892 64.252 62.300 0.099 0.000 1.051 130 V CB -1.686 30.183 31.823 0.076 0.000 0.658 130 V HN 0.560 nan 8.190 nan 0.000 0.455 131 G N -0.121 108.686 108.800 0.013 0.000 2.469 131 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.219 131 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.219 131 G C 1.585 176.447 174.900 -0.064 0.000 1.150 131 G CA 1.134 46.226 45.100 -0.013 0.000 0.763 131 G HN 0.474 nan 8.290 nan 0.000 0.561 132 L N -0.287 120.860 121.223 -0.127 0.000 2.046 132 L HA -0.097 4.241 4.340 -0.004 0.000 0.208 132 L C 3.138 179.959 176.870 -0.082 0.000 1.077 132 L CA 1.201 55.931 54.840 -0.184 0.000 0.747 132 L CB -0.366 41.535 42.059 -0.263 0.000 0.896 132 L HN 0.252 nan 8.230 nan 0.000 0.432 133 M N -0.457 119.083 119.600 -0.100 0.000 2.082 133 M HA -0.238 4.240 4.480 -0.004 0.000 0.258 133 M C 1.915 178.322 176.300 0.178 0.000 1.069 133 M CA 1.752 57.077 55.300 0.042 0.000 1.102 133 M CB -0.562 32.007 32.600 -0.052 0.000 1.336 133 M HN 0.277 nan 8.290 nan 0.000 0.404 134 N N -0.120 118.648 118.700 0.114 0.000 2.396 134 N HA -0.037 4.701 4.740 -0.004 0.000 0.180 134 N C 1.740 177.280 175.510 0.050 0.000 1.028 134 N CA 1.000 54.112 53.050 0.104 0.000 0.893 134 N CB -0.207 38.315 38.487 0.058 0.000 0.967 134 N HN 0.249 nan 8.380 nan 0.000 0.440 135 S N 0.218 115.900 115.700 -0.030 0.000 2.368 135 S HA -0.065 4.403 4.470 -0.004 0.000 0.225 135 S C 1.693 176.221 174.600 -0.121 0.000 1.030 135 S CA 0.836 58.959 58.200 -0.130 0.000 0.999 135 S CB -0.327 62.707 63.200 -0.278 0.000 0.844 135 S HN 0.436 nan 8.310 nan 0.000 0.459 136 Y N 0.951 121.278 120.300 0.045 0.000 2.314 136 Y HA -0.065 4.483 4.550 -0.004 0.000 0.293 136 Y C 2.419 178.334 175.900 0.025 0.000 1.129 136 Y CA 0.311 58.450 58.100 0.066 0.000 1.201 136 Y CB -0.389 38.158 38.460 0.146 0.000 0.999 136 Y HN 0.039 nan 8.280 nan 0.000 0.541 137 V N 0.626 120.649 119.914 0.182 0.000 2.287 137 V HA -0.349 3.768 4.120 -0.004 0.000 0.248 137 V C 1.860 177.991 176.094 0.061 0.000 1.053 137 V CA 2.084 64.448 62.300 0.106 0.000 1.027 137 V CB -0.524 31.347 31.823 0.079 0.000 0.646 137 V HN 0.507 nan 8.190 nan 0.000 0.447 138 N N 0.501 119.230 118.700 0.049 0.000 2.106 138 N HA -0.103 4.635 4.740 -0.004 0.000 0.188 138 N C 1.914 177.443 175.510 0.031 0.000 1.029 138 N CA 1.678 54.744 53.050 0.027 0.000 0.848 138 N CB -0.597 37.895 38.487 0.008 0.000 1.007 138 N HN 0.486 nan 8.380 nan 0.000 0.423 139 A N 1.072 123.921 122.820 0.047 0.000 1.940 139 A HA -0.051 4.267 4.320 -0.004 0.000 0.219 139 A C 2.141 179.770 177.584 0.074 0.000 1.176 139 A CA 0.996 53.075 52.037 0.070 0.000 0.631 139 A CB -0.638 18.443 19.000 0.135 0.000 0.814 139 A HN 0.251 nan 8.150 nan 0.000 0.446 140 L N -1.144 120.121 121.223 0.070 0.000 2.591 140 L HA 0.188 4.526 4.340 -0.004 0.000 0.228 140 L C 1.599 178.474 176.870 0.009 0.000 1.133 140 L CA 0.430 55.285 54.840 0.026 0.000 0.880 140 L CB -0.282 41.764 42.059 -0.022 0.000 1.033 140 L HN 0.573 nan 8.230 nan 0.000 0.450 141 G N 0.868 109.678 108.800 0.016 0.000 2.160 141 G HA2 -0.284 3.673 3.960 -0.004 0.000 0.251 141 G HA3 -0.284 3.673 3.960 -0.004 0.000 0.251 141 G C 0.191 175.093 174.900 0.003 0.000 1.008 141 G CA -0.153 44.951 45.100 0.007 0.000 0.724 141 G HN 0.262 nan 8.290 nan 0.000 0.514 142 L N -0.611 120.615 121.223 0.005 0.000 2.367 142 L HA 0.332 4.669 4.340 -0.004 0.000 0.275 142 L C 1.595 178.472 176.870 0.011 0.000 1.129 142 L CA -0.148 54.693 54.840 0.002 0.000 0.839 142 L CB 0.873 42.930 42.059 -0.003 0.000 1.133 142 L HN 0.085 nan 8.230 nan 0.000 0.453 143 K N 1.647 122.055 120.400 0.013 0.000 2.361 143 K HA 0.150 4.468 4.320 -0.004 0.000 0.194 143 K C 0.185 176.815 176.600 0.051 0.000 1.032 143 K CA 0.256 56.555 56.287 0.021 0.000 1.048 143 K CB 0.417 32.919 32.500 0.004 0.000 0.842 143 K HN 0.550 nan 8.250 nan 0.000 0.526 144 N N 1.082 119.824 118.700 0.071 0.000 2.588 144 N HA 0.095 4.833 4.740 -0.004 0.000 0.298 144 N C -1.238 174.426 175.510 0.258 0.000 1.718 144 N CA 0.092 53.232 53.050 0.151 0.000 0.888 144 N CB 1.798 40.316 38.487 0.052 0.000 1.389 144 N HN -0.114 nan 8.380 nan 0.000 0.491 145 T N -0.115 114.504 114.554 0.110 0.000 2.916 145 T HA 0.336 4.683 4.350 -0.004 0.000 0.298 145 T C -1.451 172.933 174.700 -0.527 0.000 1.031 145 T CA -0.337 61.609 62.100 -0.258 0.000 0.993 145 T CB 2.306 71.001 68.868 -0.289 0.000 1.045 145 T HN 0.271 nan 8.240 nan 0.000 0.454 146 H N 1.359 119.713 119.070 -1.195 0.000 3.042 146 H HA 0.549 5.103 4.556 -0.003 0.000 0.345 146 H C -1.876 172.906 175.328 -0.910 0.000 1.052 146 H CA -0.686 54.779 56.048 -0.972 0.000 1.311 146 H CB 0.644 29.858 29.762 -0.913 0.000 1.810 146 H HN 0.511 nan 8.280 nan 0.000 0.505 147 F N 3.228 122.746 119.950 -0.720 0.000 2.458 147 F HA 0.331 4.856 4.527 -0.003 0.000 0.330 147 F C 1.278 176.767 175.800 -0.517 0.000 1.082 147 F CA -0.275 57.450 58.000 -0.458 0.000 0.995 147 F CB 2.085 40.946 39.000 -0.232 0.000 1.170 147 F HN 0.604 nan 8.300 nan 0.000 0.478 148 Q N 0.080 119.859 119.800 -0.035 0.000 2.322 148 Q HA 0.141 4.478 4.340 -0.004 0.000 0.250 148 Q C 0.084 176.098 176.000 0.024 0.000 0.853 148 Q CA 0.262 56.058 55.803 -0.012 0.000 0.951 148 Q CB 1.361 30.122 28.738 0.039 0.000 1.114 148 Q HN 0.839 nan 8.270 nan 0.000 0.523 149 T N -3.087 111.488 114.554 0.034 0.000 2.838 149 T HA 0.328 4.675 4.350 -0.004 0.000 0.292 149 T C 0.747 175.357 174.700 -0.150 0.000 1.113 149 T CA -0.424 61.632 62.100 -0.072 0.000 1.008 149 T CB 1.429 70.257 68.868 -0.067 0.000 1.259 149 T HN -0.077 nan 8.240 nan 0.000 0.520 150 V N -0.390 119.293 119.914 -0.385 0.000 3.541 150 V HA 0.187 4.305 4.120 -0.004 0.000 0.267 150 V C 1.290 177.237 176.094 -0.245 0.000 1.213 150 V CA 1.547 63.678 62.300 -0.283 0.000 1.149 150 V CB -1.744 29.857 31.823 -0.369 0.000 0.822 150 V HN 1.057 nan 8.190 nan 0.000 0.462 151 H N -1.028 118.046 119.070 0.007 0.000 3.091 151 H HA 0.642 5.196 4.556 -0.004 0.000 0.249 151 H C 1.611 176.962 175.328 0.038 0.000 0.985 151 H CA 0.087 56.146 56.048 0.017 0.000 1.177 151 H CB 0.450 30.242 29.762 0.051 0.000 1.456 151 H HN 0.492 nan 8.280 nan 0.000 0.467 152 G N 0.347 109.361 108.800 0.357 0.000 2.255 152 G HA2 -0.168 3.790 3.960 -0.004 0.000 0.196 152 G HA3 -0.168 3.790 3.960 -0.004 0.000 0.196 152 G C -0.196 174.844 174.900 0.233 0.000 0.998 152 G CA -0.039 45.209 45.100 0.247 0.000 0.656 152 G HN 0.277 nan 8.290 nan 0.000 0.490 153 L N 0.575 122.005 121.223 0.346 0.000 2.360 153 L HA 0.666 5.003 4.340 -0.004 0.000 0.271 153 L C 0.710 177.676 176.870 0.160 0.000 1.057 153 L CA -0.405 54.489 54.840 0.090 0.000 0.803 153 L CB 1.143 43.046 42.059 -0.259 0.000 1.207 153 L HN 0.072 nan 8.230 nan 0.000 0.445 154 D N 1.812 122.250 120.400 0.063 0.000 2.723 154 D HA -0.174 4.463 4.640 -0.004 0.000 0.236 154 D C -0.413 175.932 176.300 0.075 0.000 1.138 154 D CA 1.071 55.102 54.000 0.052 0.000 0.676 154 D CB -0.315 40.506 40.800 0.036 0.000 1.069 154 D HN 0.767 nan 8.370 nan 0.000 0.430 155 A N 0.785 123.653 122.820 0.081 0.000 2.943 155 A HA 0.415 4.732 4.320 -0.004 0.000 0.327 155 A C 0.911 178.544 177.584 0.081 0.000 1.141 155 A CA -0.526 51.562 52.037 0.085 0.000 0.773 155 A CB 0.838 19.901 19.000 0.105 0.000 1.143 155 A HN -0.027 nan 8.150 nan 0.000 0.463 156 D N 1.815 122.257 120.400 0.071 0.000 2.117 156 D HA -0.095 4.543 4.640 -0.004 0.000 0.197 156 D C 1.806 178.167 176.300 0.101 0.000 0.987 156 D CA 2.115 56.158 54.000 0.072 0.000 0.829 156 D CB 0.091 40.923 40.800 0.054 0.000 0.961 156 D HN 0.617 nan 8.370 nan 0.000 0.460 157 G N 0.161 109.034 108.800 0.121 0.000 3.327 157 G HA2 -0.021 3.936 3.960 -0.004 0.000 0.240 157 G HA3 -0.021 3.936 3.960 -0.004 0.000 0.240 157 G C 0.363 175.392 174.900 0.215 0.000 1.222 157 G CA -0.277 44.931 45.100 0.180 0.000 0.871 157 G HN 0.168 nan 8.290 nan 0.000 0.525 158 Q N 0.287 120.166 119.800 0.132 0.000 2.230 158 Q HA 0.594 4.932 4.340 -0.004 0.000 0.253 158 Q C -1.089 174.939 176.000 0.046 0.000 0.919 158 Q CA -1.018 54.777 55.803 -0.014 0.000 0.908 158 Q CB 1.065 29.825 28.738 0.037 0.000 1.245 158 Q HN 0.409 nan 8.270 nan 0.000 0.437 159 Y N -0.895 119.370 120.300 -0.059 0.000 2.677 159 Y HA 0.740 5.288 4.550 -0.004 0.000 0.334 159 Y C -1.117 174.688 175.900 -0.159 0.000 1.196 159 Y CA -0.952 57.106 58.100 -0.070 0.000 1.059 159 Y CB 1.193 39.628 38.460 -0.042 0.000 1.315 159 Y HN 0.602 nan 8.280 nan 0.000 0.455 160 S N 0.347 116.117 115.700 0.118 0.000 2.929 160 S HA 0.888 5.355 4.470 -0.004 0.000 0.311 160 S C -1.422 173.232 174.600 0.091 0.000 1.213 160 S CA -0.073 58.159 58.200 0.054 0.000 0.908 160 S CB 1.128 64.325 63.200 -0.006 0.000 1.287 160 S HN 1.548 nan 8.310 nan 0.000 0.594 161 S N -0.166 115.566 115.700 0.053 0.000 2.638 161 S HA 0.782 5.250 4.470 -0.004 0.000 0.274 161 S C 0.785 175.401 174.600 0.027 0.000 1.157 161 S CA -0.099 58.120 58.200 0.033 0.000 0.826 161 S CB 0.820 64.029 63.200 0.015 0.000 1.139 161 S HN 1.281 nan 8.310 nan 0.000 0.474 162 A N 1.225 124.054 122.820 0.015 0.000 1.877 162 A HA -0.034 4.283 4.320 -0.004 0.000 0.216 162 A C 2.165 179.756 177.584 0.011 0.000 1.186 162 A CA 1.690 53.740 52.037 0.021 0.000 0.620 162 A CB -0.965 18.044 19.000 0.015 0.000 0.822 162 A HN 0.877 nan 8.150 nan 0.000 0.443 163 R N -0.383 120.112 120.500 -0.009 0.000 2.083 163 R HA -0.205 4.133 4.340 -0.004 0.000 0.237 163 R C 1.478 177.774 176.300 -0.006 0.000 1.137 163 R CA 2.118 58.210 56.100 -0.014 0.000 0.951 163 R CB -0.414 29.870 30.300 -0.025 0.000 0.851 163 R HN 0.456 nan 8.270 nan 0.000 0.434 164 D N -0.237 120.163 120.400 0.001 0.000 2.144 164 D HA -0.149 4.489 4.640 -0.004 0.000 0.200 164 D C 1.845 178.152 176.300 0.012 0.000 0.978 164 D CA 1.025 55.027 54.000 0.002 0.000 0.833 164 D CB -0.025 40.778 40.800 0.006 0.000 0.961 164 D HN 0.214 nan 8.370 nan 0.000 0.470 165 M N 0.221 119.837 119.600 0.028 0.000 2.254 165 M HA 0.057 4.535 4.480 -0.004 0.000 0.265 165 M C 2.173 178.481 176.300 0.014 0.000 1.066 165 M CA 0.543 55.867 55.300 0.040 0.000 1.123 165 M CB -0.824 31.813 32.600 0.061 0.000 1.388 165 M HN -0.025 nan 8.290 nan 0.000 0.425 166 A N 0.225 123.050 122.820 0.008 0.000 1.933 166 A HA -0.123 4.194 4.320 -0.004 0.000 0.218 166 A C 2.238 179.809 177.584 -0.021 0.000 1.175 166 A CA 1.249 53.284 52.037 -0.003 0.000 0.628 166 A CB -0.816 18.185 19.000 0.001 0.000 0.814 166 A HN 0.470 nan 8.150 nan 0.000 0.444 167 L N -0.810 120.396 121.223 -0.027 0.000 2.156 167 L HA -0.075 4.263 4.340 -0.004 0.000 0.208 167 L C 2.363 179.187 176.870 -0.077 0.000 1.095 167 L CA 0.742 55.555 54.840 -0.046 0.000 0.770 167 L CB -0.377 41.657 42.059 -0.043 0.000 0.914 167 L HN 0.368 nan 8.230 nan 0.000 0.439 168 I N -0.247 120.277 120.570 -0.077 0.000 2.252 168 I HA -0.184 3.984 4.170 -0.004 0.000 0.245 168 I C 2.615 178.659 176.117 -0.120 0.000 1.102 168 I CA 1.335 62.553 61.300 -0.137 0.000 1.385 168 I CB -0.746 37.211 38.000 -0.072 0.000 1.064 168 I HN 0.253 nan 8.210 nan 0.000 0.414 169 G N -0.018 108.736 108.800 -0.077 0.000 2.446 169 G HA2 -0.332 3.625 3.960 -0.004 0.000 0.217 169 G HA3 -0.332 3.625 3.960 -0.004 0.000 0.217 169 G C 1.546 176.375 174.900 -0.118 0.000 1.168 169 G CA 0.788 45.825 45.100 -0.104 0.000 0.771 169 G HN 0.412 nan 8.290 nan 0.000 0.551 170 Q N 0.204 119.978 119.800 -0.043 0.000 2.135 170 Q HA -0.071 4.266 4.340 -0.004 0.000 0.204 170 Q C 2.745 178.780 176.000 0.059 0.000 0.981 170 Q CA 1.679 57.521 55.803 0.066 0.000 0.856 170 Q CB -0.318 28.441 28.738 0.035 0.000 0.902 170 Q HN 0.424 nan 8.270 nan 0.000 0.425 171 A N 0.556 123.360 122.820 -0.026 0.000 1.930 171 A HA -0.118 4.200 4.320 -0.004 0.000 0.217 171 A C 2.034 179.720 177.584 0.170 0.000 1.175 171 A CA 0.929 52.973 52.037 0.010 0.000 0.627 171 A CB -0.585 18.271 19.000 -0.240 0.000 0.815 171 A HN 0.450 nan 8.150 nan 0.000 0.443 172 L N -0.543 120.739 121.223 0.098 0.000 2.017 172 L HA -0.183 4.154 4.340 -0.004 0.000 0.208 172 L C 2.458 179.329 176.870 0.002 0.000 1.073 172 L CA 1.390 56.330 54.840 0.168 0.000 0.745 172 L CB -0.406 41.706 42.059 0.087 0.000 0.894 172 L HN 0.394 nan 8.230 nan 0.000 0.432 173 I N -0.886 119.533 120.570 -0.251 0.000 2.315 173 I HA -0.286 3.881 4.170 -0.004 0.000 0.248 173 I C 2.784 178.845 176.117 -0.094 0.000 1.117 173 I CA 1.168 62.188 61.300 -0.467 0.000 1.404 173 I CB -0.312 37.157 38.000 -0.884 0.000 1.071 173 I HN 0.242 nan 8.210 nan 0.000 0.419 174 R N 0.704 121.267 120.500 0.106 0.000 2.066 174 R HA -0.110 4.228 4.340 -0.004 0.000 0.224 174 R C 1.506 177.864 176.300 0.097 0.000 1.122 174 R CA 1.542 57.747 56.100 0.176 0.000 0.974 174 R CB 0.078 30.476 30.300 0.162 0.000 0.871 174 R HN 0.260 nan 8.270 nan 0.000 0.435 175 D N -0.071 120.389 120.400 0.100 0.000 2.277 175 D HA -0.017 4.621 4.640 -0.004 0.000 0.209 175 D C 0.690 176.978 176.300 -0.020 0.000 0.970 175 D CA 0.817 54.849 54.000 0.053 0.000 0.874 175 D CB 0.795 41.653 40.800 0.096 0.000 0.982 175 D HN 0.223 nan 8.370 nan 0.000 0.504 176 V N -0.998 118.912 119.914 -0.007 0.000 2.572 176 V HA 0.294 4.412 4.120 -0.004 0.000 0.274 176 V C -2.108 174.019 176.094 0.055 0.000 1.075 176 V CA -1.202 61.077 62.300 -0.034 0.000 1.237 176 V CB 1.260 33.001 31.823 -0.136 0.000 1.517 176 V HN -0.193 nan 8.190 nan 0.000 0.616 177 P HA -0.102 nan 4.420 nan 0.000 0.218 177 P C 1.129 178.496 177.300 0.112 0.000 1.148 177 P CA 1.302 64.466 63.100 0.107 0.000 0.822 177 P CB 0.266 32.006 31.700 0.066 0.000 0.784 178 N N 0.232 118.965 118.700 0.056 0.000 2.244 178 N HA -0.155 4.583 4.740 -0.004 0.000 0.183 178 N C 1.851 177.385 175.510 0.040 0.000 1.016 178 N CA 1.101 54.171 53.050 0.033 0.000 0.866 178 N CB -0.552 37.937 38.487 0.003 0.000 0.980 178 N HN 0.267 nan 8.380 nan 0.000 0.430 179 E N 0.209 120.449 120.200 0.067 0.000 2.046 179 E HA -0.126 4.222 4.350 -0.004 0.000 0.190 179 E C 1.898 178.620 176.600 0.204 0.000 0.982 179 E CA 0.818 57.274 56.400 0.092 0.000 0.800 179 E CB -0.437 29.323 29.700 0.100 0.000 0.756 179 E HN 0.443 nan 8.360 nan 0.000 0.449 180 Y N 0.861 121.252 120.300 0.151 0.000 2.224 180 Y HA -0.224 4.324 4.550 -0.004 0.000 0.289 180 Y C 2.354 178.375 175.900 0.201 0.000 1.146 180 Y CA 1.864 60.099 58.100 0.225 0.000 1.182 180 Y CB -0.284 38.204 38.460 0.046 0.000 0.983 180 Y HN 0.240 nan 8.280 nan 0.000 0.524 181 S N -0.086 115.625 115.700 0.017 0.000 2.440 181 S HA -0.236 4.231 4.470 -0.004 0.000 0.238 181 S C 1.756 176.268 174.600 -0.147 0.000 1.010 181 S CA 1.592 59.739 58.200 -0.089 0.000 0.972 181 S CB -1.097 62.094 63.200 -0.016 0.000 0.774 181 S HN 0.592 nan 8.310 nan 0.000 0.501 182 I N -0.236 120.249 120.570 -0.142 0.000 2.493 182 I HA -0.101 4.067 4.170 -0.004 0.000 0.254 182 I C 1.905 177.859 176.117 -0.271 0.000 1.160 182 I CA 1.111 62.280 61.300 -0.218 0.000 1.445 182 I CB -0.416 37.419 38.000 -0.276 0.000 1.086 182 I HN 0.244 nan 8.210 nan 0.000 0.433 183 Y N 1.478 121.571 120.300 -0.345 0.000 2.509 183 Y HA -0.156 4.392 4.550 -0.004 0.000 0.293 183 Y C 2.337 178.076 175.900 -0.267 0.000 1.133 183 Y CA 0.943 58.855 58.100 -0.312 0.000 1.283 183 Y CB -0.224 37.976 38.460 -0.434 0.000 1.001 183 Y HN 0.232 nan 8.280 nan 0.000 0.555 184 K N 0.426 120.730 120.400 -0.159 0.000 2.426 184 K HA 0.036 4.354 4.320 -0.004 0.000 0.193 184 K C -0.234 176.262 176.600 -0.174 0.000 1.028 184 K CA 0.191 56.380 56.287 -0.164 0.000 1.047 184 K CB -0.092 32.309 32.500 -0.165 0.000 0.821 184 K HN 0.197 nan 8.250 nan 0.000 0.513 185 E N 1.993 122.106 120.200 -0.144 0.000 2.366 185 E HA 0.024 4.372 4.350 -0.004 0.000 0.266 185 E C -0.024 176.519 176.600 -0.095 0.000 1.015 185 E CA -0.084 56.249 56.400 -0.111 0.000 0.906 185 E CB 1.131 30.782 29.700 -0.081 0.000 0.979 185 E HN 0.187 nan 8.360 nan 0.000 0.443 186 K N 2.289 122.619 120.400 -0.116 0.000 2.296 186 K HA -0.079 4.239 4.320 -0.004 0.000 0.200 186 K C 0.339 177.053 176.600 0.189 0.000 1.048 186 K CA 0.848 57.073 56.287 -0.104 0.000 0.966 186 K CB 0.171 32.512 32.500 -0.264 0.000 0.754 186 K HN 0.579 nan 8.250 nan 0.000 0.466 187 E N -0.480 119.819 120.200 0.166 0.000 2.423 187 E HA 0.334 4.682 4.350 -0.004 0.000 0.280 187 E C -1.089 175.680 176.600 0.281 0.000 1.030 187 E CA -1.081 55.460 56.400 0.235 0.000 0.812 187 E CB 1.137 30.950 29.700 0.189 0.000 1.313 187 E HN -0.069 nan 8.360 nan 0.000 0.456 188 F N -1.014 118.966 119.950 0.049 0.000 2.664 188 F HA 0.788 5.313 4.527 -0.004 0.000 0.317 188 F C -1.456 174.383 175.800 0.066 0.000 1.108 188 F CA -0.875 57.150 58.000 0.041 0.000 0.957 188 F CB 1.860 40.871 39.000 0.019 0.000 1.365 188 F HN 0.337 nan 8.300 nan 0.000 0.475 189 T N 2.591 116.989 114.554 -0.260 0.000 2.824 189 T HA 0.600 4.948 4.350 -0.004 0.000 0.282 189 T C -1.906 172.643 174.700 -0.251 0.000 0.993 189 T CA -0.209 61.691 62.100 -0.333 0.000 0.967 189 T CB 1.115 69.912 68.868 -0.118 0.000 0.960 189 T HN 0.629 nan 8.240 nan 0.000 0.441 190 F N 3.492 123.168 119.950 -0.456 0.000 2.547 190 F HA 0.527 5.052 4.527 -0.004 0.000 0.316 190 F C 0.325 176.050 175.800 -0.124 0.000 1.121 190 F CA -0.802 57.078 58.000 -0.200 0.000 0.911 190 F CB 1.307 40.239 39.000 -0.113 0.000 1.179 190 F HN 0.570 nan 8.300 nan 0.000 0.443 191 N N 4.059 122.258 118.700 -0.835 0.000 2.725 191 N HA -0.181 4.557 4.740 -0.004 0.000 0.251 191 N C 0.823 176.153 175.510 -0.301 0.000 1.031 191 N CA 1.570 54.238 53.050 -0.637 0.000 0.720 191 N CB -1.039 37.003 38.487 -0.741 0.000 0.930 191 N HN 1.561 nan 8.380 nan 0.000 0.543 192 G N -1.461 107.205 108.800 -0.222 0.000 2.168 192 G HA2 -0.304 3.654 3.960 -0.004 0.000 0.263 192 G HA3 -0.304 3.654 3.960 -0.004 0.000 0.263 192 G C 0.175 175.004 174.900 -0.119 0.000 0.977 192 G CA 0.616 45.630 45.100 -0.142 0.000 0.659 192 G HN 0.569 nan 8.290 nan 0.000 0.533 193 I N 0.423 120.915 120.570 -0.131 0.000 2.406 193 I HA 0.380 4.548 4.170 -0.004 0.000 0.290 193 I C 0.766 176.798 176.117 -0.142 0.000 0.999 193 I CA -1.037 60.201 61.300 -0.103 0.000 1.124 193 I CB 1.628 39.588 38.000 -0.068 0.000 1.289 193 I HN 0.035 nan 8.210 nan 0.000 0.441 194 R N 5.697 126.130 120.500 -0.111 0.000 2.491 194 R HA 0.207 4.545 4.340 -0.004 0.000 0.283 194 R C -0.989 175.242 176.300 -0.114 0.000 1.072 194 R CA -0.138 55.889 56.100 -0.120 0.000 1.048 194 R CB 0.752 31.023 30.300 -0.049 0.000 0.983 194 R HN 0.557 nan 8.270 nan 0.000 0.450 195 Q N 4.901 124.601 119.800 -0.166 0.000 2.321 195 Q HA 0.321 4.659 4.340 -0.004 0.000 0.270 195 Q C -0.553 175.524 176.000 0.128 0.000 1.032 195 Q CA -0.688 55.091 55.803 -0.040 0.000 0.784 195 Q CB 2.319 30.993 28.738 -0.106 0.000 1.264 195 Q HN 0.578 nan 8.270 nan 0.000 0.448 196 L N 2.023 123.336 121.223 0.148 0.000 2.326 196 L HA 0.272 4.609 4.340 -0.004 0.000 0.278 196 L C 0.865 177.901 176.870 0.275 0.000 1.092 196 L CA -0.676 54.300 54.840 0.227 0.000 0.810 196 L CB 0.524 42.666 42.059 0.139 0.000 1.153 196 L HN 0.506 nan 8.230 nan 0.000 0.439 197 N N 2.420 121.335 118.700 0.358 0.000 2.411 197 N HA -0.046 4.692 4.740 -0.004 0.000 0.261 197 N C 0.783 176.493 175.510 0.334 0.000 1.248 197 N CA 0.451 53.681 53.050 0.300 0.000 0.885 197 N CB 0.743 39.370 38.487 0.234 0.000 1.062 197 N HN 0.500 nan 8.380 nan 0.000 0.471 198 R N 1.733 122.370 120.500 0.227 0.000 2.307 198 R HA -0.009 4.329 4.340 -0.004 0.000 0.199 198 R C 0.088 176.515 176.300 0.211 0.000 1.000 198 R CA 0.098 56.313 56.100 0.192 0.000 1.023 198 R CB -0.034 30.356 30.300 0.151 0.000 0.908 198 R HN 0.446 nan 8.270 nan 0.000 0.473 199 N N 1.108 119.959 118.700 0.251 0.000 2.549 199 N HA 0.001 4.739 4.740 -0.004 0.000 0.267 199 N C 0.923 176.641 175.510 0.346 0.000 1.182 199 N CA -0.123 53.067 53.050 0.233 0.000 1.019 199 N CB 0.841 39.436 38.487 0.180 0.000 1.380 199 N HN 0.160 nan 8.380 nan 0.000 0.505 200 G N 2.630 111.597 108.800 0.279 0.000 2.475 200 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.220 200 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.220 200 G C 1.393 176.510 174.900 0.361 0.000 1.125 200 G CA 0.491 45.774 45.100 0.304 0.000 0.755 200 G HN 0.612 nan 8.290 nan 0.000 0.565 201 L N -0.021 121.334 121.223 0.220 0.000 2.349 201 L HA -0.015 4.323 4.340 -0.004 0.000 0.220 201 L C 2.673 179.632 176.870 0.149 0.000 1.130 201 L CA 0.164 55.103 54.840 0.164 0.000 0.791 201 L CB -0.289 41.835 42.059 0.107 0.000 0.918 201 L HN 0.229 nan 8.230 nan 0.000 0.444 202 L N -1.541 119.761 121.223 0.132 0.000 2.187 202 L HA -0.213 4.124 4.340 -0.004 0.000 0.213 202 L C 1.955 178.719 176.870 -0.177 0.000 1.100 202 L CA 1.186 55.950 54.840 -0.127 0.000 0.765 202 L CB -0.413 41.386 42.059 -0.432 0.000 0.904 202 L HN 0.478 nan 8.230 nan 0.000 0.437 203 W N -0.629 120.682 121.300 0.019 0.000 3.278 203 W HA 0.085 4.742 4.660 -0.004 0.000 0.308 203 W C 0.533 177.059 176.519 0.012 0.000 1.253 203 W CA -0.475 56.878 57.345 0.015 0.000 1.759 203 W CB 0.097 29.566 29.460 0.015 0.000 1.093 203 W HN 0.011 nan 8.180 nan 0.000 0.648 204 D N 1.230 121.746 120.400 0.193 0.000 2.352 204 D HA 0.010 4.648 4.640 -0.004 0.000 0.245 204 D C 1.146 177.489 176.300 0.072 0.000 1.224 204 D CA 0.340 54.412 54.000 0.120 0.000 0.879 204 D CB 0.284 41.143 40.800 0.098 0.000 1.057 204 D HN 0.050 nan 8.370 nan 0.000 0.491 205 N N 1.522 120.261 118.700 0.066 0.000 2.348 205 N HA -0.175 4.563 4.740 -0.004 0.000 0.185 205 N C 1.541 177.061 175.510 0.018 0.000 1.019 205 N CA 0.906 53.977 53.050 0.035 0.000 0.880 205 N CB 0.236 38.746 38.487 0.038 0.000 0.965 205 N HN 0.416 nan 8.380 nan 0.000 0.437 206 S N -0.161 115.555 115.700 0.027 0.000 2.496 206 S HA 0.104 4.572 4.470 -0.004 0.000 0.224 206 S C 0.823 175.427 174.600 0.007 0.000 0.996 206 S CA 0.115 58.326 58.200 0.018 0.000 0.927 206 S CB 0.171 63.390 63.200 0.032 0.000 0.774 206 S HN 0.089 nan 8.310 nan 0.000 0.524 207 L N 1.132 122.365 121.223 0.016 0.000 2.309 207 L HA 0.481 4.819 4.340 -0.004 0.000 0.261 207 L C -0.111 176.751 176.870 -0.013 0.000 1.021 207 L CA -0.745 54.102 54.840 0.011 0.000 0.823 207 L CB 1.817 43.924 42.059 0.081 0.000 1.366 207 L HN 0.132 nan 8.230 nan 0.000 0.423 208 N N 1.126 119.804 118.700 -0.037 0.000 3.091 208 N HA 0.245 4.983 4.740 -0.004 0.000 0.255 208 N C -1.388 174.131 175.510 0.014 0.000 1.204 208 N CA -0.272 52.759 53.050 -0.032 0.000 0.990 208 N CB 0.835 39.284 38.487 -0.063 0.000 1.260 208 N HN 0.230 nan 8.380 nan 0.000 0.502 209 V N 2.926 122.856 119.914 0.026 0.000 2.498 209 V HA 0.111 4.229 4.120 -0.004 0.000 0.279 209 V C 0.474 176.573 176.094 0.008 0.000 1.048 209 V CA -0.140 62.188 62.300 0.048 0.000 0.967 209 V CB 1.432 33.292 31.823 0.062 0.000 0.988 209 V HN 0.666 nan 8.190 nan 0.000 0.473 210 D N 1.810 122.231 120.400 0.035 0.000 2.556 210 D HA 0.419 5.056 4.640 -0.004 0.000 0.237 210 D C 0.243 176.525 176.300 -0.030 0.000 1.296 210 D CA 0.332 54.323 54.000 -0.015 0.000 0.807 210 D CB 0.872 41.665 40.800 -0.012 0.000 1.084 210 D HN 0.705 nan 8.370 nan 0.000 0.510 211 G N -0.810 108.026 108.800 0.060 0.000 2.430 211 G HA2 0.454 4.412 3.960 -0.004 0.000 0.300 211 G HA3 0.454 4.412 3.960 -0.004 0.000 0.300 211 G C -0.444 174.502 174.900 0.076 0.000 1.330 211 G CA -0.603 44.533 45.100 0.060 0.000 0.813 211 G HN 0.027 nan 8.290 nan 0.000 0.487 212 I N -1.390 119.209 120.570 0.048 0.000 3.878 212 I HA 0.418 4.586 4.170 -0.004 0.000 0.273 212 I C 0.193 176.342 176.117 0.053 0.000 1.165 212 I CA 0.108 61.369 61.300 -0.065 0.000 1.360 212 I CB 1.098 39.016 38.000 -0.138 0.000 1.539 212 I HN 0.313 nan 8.210 nan 0.000 0.447 213 K N 1.013 121.464 120.400 0.086 0.000 2.565 213 K HA 0.390 4.708 4.320 -0.004 0.000 0.251 213 K C -0.960 175.717 176.600 0.128 0.000 0.956 213 K CA -0.137 56.236 56.287 0.143 0.000 0.809 213 K CB 2.216 34.801 32.500 0.142 0.000 1.267 213 K HN -0.052 nan 8.250 nan 0.000 0.438 214 T N 1.653 116.293 114.554 0.143 0.000 2.895 214 T HA 0.876 5.224 4.350 -0.004 0.000 0.283 214 T C -0.746 174.045 174.700 0.152 0.000 1.014 214 T CA -0.151 62.035 62.100 0.144 0.000 1.037 214 T CB 1.086 70.040 68.868 0.144 0.000 1.006 214 T HN 0.740 nan 8.240 nan 0.000 0.468 215 G N 2.424 111.323 108.800 0.165 0.000 2.702 215 G HA2 0.473 4.431 3.960 -0.004 0.000 0.296 215 G HA3 0.473 4.431 3.960 -0.004 0.000 0.296 215 G C -2.102 172.899 174.900 0.168 0.000 1.463 215 G CA -0.536 44.658 45.100 0.157 0.000 0.890 215 G HN 0.829 nan 8.290 nan 0.000 0.534 216 H N 0.238 119.326 119.070 0.030 0.000 2.717 216 H HA 0.811 5.365 4.556 -0.004 0.000 0.366 216 H C -0.498 174.799 175.328 -0.051 0.000 1.132 216 H CA 0.270 56.273 56.048 -0.075 0.000 1.180 216 H CB 2.507 32.162 29.762 -0.179 0.000 1.678 216 H HN 0.868 nan 8.280 nan 0.000 0.537 217 T N 0.680 115.025 114.554 -0.348 0.000 2.838 217 T HA 0.186 4.534 4.350 -0.004 0.000 0.292 217 T C 0.483 174.950 174.700 -0.389 0.000 1.113 217 T CA -0.819 61.186 62.100 -0.158 0.000 1.008 217 T CB 1.628 70.450 68.868 -0.077 0.000 1.259 217 T HN 0.382 nan 8.240 nan 0.000 0.520 218 D N 0.080 120.412 120.400 -0.112 0.000 2.144 218 D HA -0.011 4.627 4.640 -0.004 0.000 0.200 218 D C 1.708 177.937 176.300 -0.118 0.000 0.978 218 D CA 1.176 55.134 54.000 -0.071 0.000 0.833 218 D CB 0.123 40.931 40.800 0.012 0.000 0.961 218 D HN 0.531 nan 8.370 nan 0.000 0.470 219 K N 0.209 120.550 120.400 -0.099 0.000 2.228 219 K HA 0.096 4.414 4.320 -0.004 0.000 0.202 219 K C 1.900 178.442 176.600 -0.098 0.000 1.051 219 K CA 0.609 56.854 56.287 -0.070 0.000 0.960 219 K CB 0.253 32.736 32.500 -0.029 0.000 0.743 219 K HN -0.035 nan 8.250 nan 0.000 0.458 220 A N 1.076 123.799 122.820 -0.161 0.000 2.072 220 A HA 0.216 4.534 4.320 -0.004 0.000 0.216 220 A C 1.129 178.595 177.584 -0.197 0.000 1.156 220 A CA 1.002 52.953 52.037 -0.143 0.000 0.701 220 A CB -0.474 18.456 19.000 -0.117 0.000 0.816 220 A HN 0.381 nan 8.150 nan 0.000 0.458 221 G N -1.453 107.114 108.800 -0.388 0.000 2.601 221 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.252 221 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.252 221 G C -0.306 174.337 174.900 -0.428 0.000 1.294 221 G CA 0.108 44.982 45.100 -0.377 0.000 0.912 221 G HN 0.541 nan 8.290 nan 0.000 0.574 222 Y N 1.991 122.340 120.300 0.082 0.000 2.336 222 Y HA 0.500 5.047 4.550 -0.004 0.000 0.335 222 Y C 1.034 176.978 175.900 0.074 0.000 1.046 222 Y CA -0.298 57.892 58.100 0.149 0.000 1.198 222 Y CB 1.096 39.654 38.460 0.164 0.000 1.182 222 Y HN 0.462 nan 8.280 nan 0.000 0.502 223 N N 3.469 122.287 118.700 0.198 0.000 2.238 223 N HA 0.582 5.320 4.740 -0.004 0.000 0.302 223 N C -1.975 173.620 175.510 0.142 0.000 1.072 223 N CA -0.688 52.444 53.050 0.137 0.000 0.792 223 N CB 2.879 41.420 38.487 0.089 0.000 1.425 223 N HN 0.422 nan 8.380 nan 0.000 0.478 224 L N 1.369 122.661 121.223 0.114 0.000 2.493 224 L HA 0.470 4.808 4.340 -0.004 0.000 0.265 224 L C -1.715 175.203 176.870 0.080 0.000 0.954 224 L CA -0.617 54.283 54.840 0.100 0.000 0.844 224 L CB 1.944 44.057 42.059 0.090 0.000 1.302 224 L HN 0.246 nan 8.230 nan 0.000 0.405 225 V N 4.519 124.476 119.914 0.072 0.000 2.357 225 V HA 0.927 5.044 4.120 -0.004 0.000 0.284 225 V C 0.143 176.265 176.094 0.047 0.000 1.018 225 V CA -0.036 62.295 62.300 0.051 0.000 0.841 225 V CB 1.155 33.000 31.823 0.036 0.000 0.991 225 V HN 0.983 nan 8.190 nan 0.000 0.437 226 A N 3.790 126.637 122.820 0.045 0.000 2.374 226 A HA 0.926 5.243 4.320 -0.004 0.000 0.317 226 A C -0.409 177.203 177.584 0.046 0.000 1.094 226 A CA -0.574 51.496 52.037 0.055 0.000 0.765 226 A CB 2.105 21.143 19.000 0.062 0.000 1.268 226 A HN 0.717 nan 8.150 nan 0.000 0.438 227 S N -0.474 115.265 115.700 0.066 0.000 2.541 227 S HA 0.831 5.298 4.470 -0.004 0.000 0.280 227 S C -0.701 173.963 174.600 0.106 0.000 1.112 227 S CA 0.247 58.482 58.200 0.059 0.000 0.925 227 S CB 1.480 64.680 63.200 -0.000 0.000 1.067 227 S HN 2.152 nan 8.310 nan 0.000 0.479 228 A N 2.049 124.959 122.820 0.151 0.000 2.587 228 A HA 0.904 5.222 4.320 -0.004 0.000 0.293 228 A C -0.394 177.377 177.584 0.313 0.000 1.087 228 A CA -0.565 51.607 52.037 0.225 0.000 0.692 228 A CB 1.508 20.702 19.000 0.324 0.000 1.291 228 A HN 1.101 nan 8.150 nan 0.000 0.407 229 T N -1.582 113.062 114.554 0.150 0.000 2.916 229 T HA 0.804 5.151 4.350 -0.004 0.000 0.292 229 T C -0.888 173.636 174.700 -0.293 0.000 1.055 229 T CA -0.542 61.592 62.100 0.057 0.000 1.009 229 T CB 1.996 70.872 68.868 0.013 0.000 1.118 229 T HN 0.799 nan 8.240 nan 0.000 0.497 230 E N 0.473 120.472 120.200 -0.335 0.000 2.334 230 E HA 0.462 4.810 4.350 -0.004 0.000 0.280 230 E C 0.741 177.244 176.600 -0.161 0.000 0.899 230 E CA 0.002 56.141 56.400 -0.435 0.000 0.813 230 E CB 0.843 29.980 29.700 -0.938 0.000 1.318 230 E HN 1.272 nan 8.360 nan 0.000 0.399 231 G N 3.756 112.496 108.800 -0.100 0.000 2.660 231 G HA2 -0.429 3.529 3.960 -0.004 0.000 0.321 231 G HA3 -0.429 3.529 3.960 -0.004 0.000 0.321 231 G C 0.655 175.564 174.900 0.015 0.000 1.246 231 G CA 0.757 45.839 45.100 -0.031 0.000 1.000 231 G HN 0.633 nan 8.290 nan 0.000 0.550 232 Q N 0.111 119.940 119.800 0.048 0.000 2.431 232 Q HA 0.346 4.683 4.340 -0.004 0.000 0.210 232 Q C 1.002 177.070 176.000 0.113 0.000 0.958 232 Q CA 0.368 56.223 55.803 0.087 0.000 0.957 232 Q CB 0.126 28.925 28.738 0.102 0.000 1.007 232 Q HN 0.516 nan 8.270 nan 0.000 0.511 233 M N 0.651 120.324 119.600 0.121 0.000 2.326 233 M HA 0.362 4.840 4.480 -0.004 0.000 0.306 233 M C -1.488 174.965 176.300 0.255 0.000 1.054 233 M CA -0.575 54.844 55.300 0.198 0.000 0.922 233 M CB 1.933 34.705 32.600 0.288 0.000 1.632 233 M HN -0.156 nan 8.290 nan 0.000 0.436 234 R N 5.253 125.878 120.500 0.209 0.000 2.532 234 R HA 0.682 5.019 4.340 -0.004 0.000 0.297 234 R C -2.151 174.230 176.300 0.134 0.000 0.984 234 R CA -0.511 55.698 56.100 0.182 0.000 0.884 234 R CB 1.444 31.767 30.300 0.038 0.000 1.182 234 R HN 0.808 nan 8.270 nan 0.000 0.442 235 L N 5.320 126.596 121.223 0.088 0.000 2.334 235 L HA 0.602 4.940 4.340 -0.004 0.000 0.272 235 L C -0.298 176.565 176.870 -0.012 0.000 1.020 235 L CA -1.062 53.743 54.840 -0.057 0.000 0.812 235 L CB 2.023 43.885 42.059 -0.329 0.000 1.264 235 L HN 0.556 nan 8.230 nan 0.000 0.439 236 I N 1.212 121.772 120.570 -0.018 0.000 2.465 236 I HA 0.314 4.482 4.170 -0.004 0.000 0.291 236 I C -0.357 175.759 176.117 -0.002 0.000 1.014 236 I CA -0.300 60.996 61.300 -0.006 0.000 1.093 236 I CB 2.203 40.202 38.000 -0.002 0.000 1.267 236 I HN 0.590 nan 8.210 nan 0.000 0.431 237 S N 4.514 120.221 115.700 0.012 0.000 2.501 237 S HA 0.895 5.363 4.470 -0.004 0.000 0.301 237 S C -0.578 174.048 174.600 0.044 0.000 1.096 237 S CA -0.733 57.485 58.200 0.030 0.000 1.063 237 S CB 2.182 65.397 63.200 0.024 0.000 1.042 237 S HN 0.721 nan 8.310 nan 0.000 0.494 238 A N 2.330 125.189 122.820 0.065 0.000 2.330 238 A HA 0.759 5.077 4.320 -0.004 0.000 0.313 238 A C -0.988 176.660 177.584 0.106 0.000 1.124 238 A CA -0.784 51.297 52.037 0.072 0.000 0.774 238 A CB 1.253 20.288 19.000 0.058 0.000 1.198 238 A HN 0.942 nan 8.150 nan 0.000 0.465 239 V N 3.918 123.890 119.914 0.098 0.000 2.525 239 V HA 0.508 4.626 4.120 -0.004 0.000 0.299 239 V C -0.296 175.862 176.094 0.107 0.000 1.034 239 V CA -0.108 62.263 62.300 0.118 0.000 0.863 239 V CB 1.424 33.296 31.823 0.081 0.000 0.999 239 V HN 0.978 nan 8.190 nan 0.000 0.423 240 M N 2.733 122.396 119.600 0.106 0.000 2.465 240 M HA 0.617 5.094 4.480 -0.004 0.000 0.316 240 M C 0.873 177.222 176.300 0.082 0.000 1.121 240 M CA -0.303 55.048 55.300 0.085 0.000 0.934 240 M CB 2.121 34.760 32.600 0.065 0.000 1.692 240 M HN 0.884 nan 8.290 nan 0.000 0.444 241 G N 1.800 110.643 108.800 0.073 0.000 2.246 241 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.273 241 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.273 241 G C 0.287 175.256 174.900 0.114 0.000 1.055 241 G CA 0.018 45.158 45.100 0.067 0.000 0.851 241 G HN 1.161 nan 8.290 nan 0.000 0.500 242 G N -0.783 108.115 108.800 0.164 0.000 2.265 242 G HA2 0.321 4.279 3.960 -0.004 0.000 0.240 242 G HA3 0.321 4.279 3.960 -0.004 0.000 0.240 242 G C 0.970 176.033 174.900 0.270 0.000 1.270 242 G CA 0.138 45.355 45.100 0.195 0.000 0.901 242 G HN 0.572 nan 8.290 nan 0.000 0.507 243 R N 0.488 121.099 120.500 0.185 0.000 2.161 243 R HA 0.042 4.379 4.340 -0.004 0.000 0.213 243 R C 1.285 177.726 176.300 0.235 0.000 1.055 243 R CA 1.247 57.461 56.100 0.189 0.000 0.996 243 R CB 0.070 30.437 30.300 0.112 0.000 0.901 243 R HN 0.662 nan 8.270 nan 0.000 0.456 244 T N -3.815 110.828 114.554 0.148 0.000 2.907 244 T HA 0.206 4.554 4.350 -0.004 0.000 0.292 244 T C 0.468 175.004 174.700 -0.273 0.000 1.043 244 T CA -0.894 61.251 62.100 0.075 0.000 1.003 244 T CB 1.698 70.585 68.868 0.032 0.000 1.084 244 T HN 0.034 nan 8.240 nan 0.000 0.483 245 F N 2.434 122.164 119.950 -0.366 0.000 2.134 245 F HA -0.024 4.500 4.527 -0.004 0.000 0.299 245 F C 2.414 177.978 175.800 -0.393 0.000 1.097 245 F CA 1.925 59.559 58.000 -0.610 0.000 1.264 245 F CB -0.107 38.788 39.000 -0.175 0.000 1.001 245 F HN 0.770 nan 8.300 nan 0.000 0.479 246 K N -0.486 119.834 120.400 -0.133 0.000 2.288 246 K HA 0.072 4.390 4.320 -0.004 0.000 0.201 246 K C 1.817 178.290 176.600 -0.212 0.000 1.048 246 K CA 1.317 57.516 56.287 -0.147 0.000 0.956 246 K CB -0.792 31.715 32.500 0.010 0.000 0.746 246 K HN 0.281 nan 8.250 nan 0.000 0.461 247 G N 2.071 110.738 108.800 -0.220 0.000 3.189 247 G HA2 -0.074 3.884 3.960 -0.004 0.000 0.225 247 G HA3 -0.074 3.884 3.960 -0.004 0.000 0.225 247 G C 1.283 176.061 174.900 -0.204 0.000 1.159 247 G CA -0.285 44.715 45.100 -0.167 0.000 0.763 247 G HN 0.396 nan 8.290 nan 0.000 0.549 248 R N 0.382 120.664 120.500 -0.363 0.000 2.152 248 R HA 0.021 4.359 4.340 -0.004 0.000 0.232 248 R C 1.408 177.624 176.300 -0.141 0.000 1.117 248 R CA 1.668 57.585 56.100 -0.305 0.000 0.981 248 R CB -0.186 29.797 30.300 -0.529 0.000 0.870 248 R HN 0.390 nan 8.270 nan 0.000 0.451 249 E N 0.317 120.428 120.200 -0.147 0.000 2.332 249 E HA 0.187 4.535 4.350 -0.004 0.000 0.202 249 E C 1.980 178.553 176.600 -0.045 0.000 0.877 249 E CA 0.367 56.730 56.400 -0.063 0.000 0.979 249 E CB 0.193 29.864 29.700 -0.048 0.000 0.969 249 E HN 0.359 nan 8.360 nan 0.000 0.495 250 A N 1.939 124.718 122.820 -0.069 0.000 1.940 250 A HA -0.213 4.105 4.320 -0.004 0.000 0.219 250 A C 1.973 179.533 177.584 -0.041 0.000 1.176 250 A CA 1.353 53.364 52.037 -0.044 0.000 0.631 250 A CB -0.279 18.689 19.000 -0.053 0.000 0.814 250 A HN 0.038 nan 8.150 nan 0.000 0.446 251 E N 0.207 120.372 120.200 -0.058 0.000 2.072 251 E HA -0.090 4.257 4.350 -0.004 0.000 0.191 251 E C 2.335 178.888 176.600 -0.078 0.000 0.985 251 E CA 1.371 57.726 56.400 -0.074 0.000 0.801 251 E CB -0.587 29.069 29.700 -0.073 0.000 0.750 251 E HN 0.555 nan 8.360 nan 0.000 0.452 252 S N 0.965 116.639 115.700 -0.043 0.000 2.383 252 S HA -0.134 4.334 4.470 -0.004 0.000 0.227 252 S C 1.894 176.496 174.600 0.004 0.000 1.026 252 S CA 1.213 59.400 58.200 -0.021 0.000 0.981 252 S CB -0.053 63.154 63.200 0.011 0.000 0.818 252 S HN 0.225 nan 8.310 nan 0.000 0.472 253 K N 1.500 121.910 120.400 0.016 0.000 2.097 253 K HA -0.092 4.226 4.320 -0.004 0.000 0.206 253 K C 1.916 178.551 176.600 0.059 0.000 1.049 253 K CA 1.153 57.469 56.287 0.050 0.000 0.933 253 K CB -0.056 32.471 32.500 0.046 0.000 0.717 253 K HN 0.190 nan 8.250 nan 0.000 0.442 254 K N 0.581 120.993 120.400 0.020 0.000 2.032 254 K HA -0.161 4.157 4.320 -0.004 0.000 0.209 254 K C 2.189 178.822 176.600 0.057 0.000 1.048 254 K CA 1.633 57.936 56.287 0.026 0.000 0.927 254 K CB -0.194 32.277 32.500 -0.048 0.000 0.712 254 K HN 0.176 nan 8.250 nan 0.000 0.441 255 L N 0.832 122.044 121.223 -0.019 0.000 2.027 255 L HA -0.197 4.141 4.340 -0.004 0.000 0.206 255 L C 2.400 179.356 176.870 0.144 0.000 1.074 255 L CA 1.100 55.944 54.840 0.006 0.000 0.745 255 L CB -0.372 41.626 42.059 -0.102 0.000 0.898 255 L HN 0.184 nan 8.230 nan 0.000 0.433 256 L N -0.646 120.622 121.223 0.075 0.000 2.017 256 L HA -0.222 4.116 4.340 -0.004 0.000 0.208 256 L C 2.852 179.788 176.870 0.109 0.000 1.073 256 L CA 1.978 56.831 54.840 0.021 0.000 0.745 256 L CB -1.127 40.989 42.059 0.094 0.000 0.894 256 L HN 0.475 nan 8.230 nan 0.000 0.432 257 T N -3.160 111.529 114.554 0.226 0.000 2.746 257 T HA -0.299 4.049 4.350 -0.004 0.000 0.267 257 T C 1.514 176.388 174.700 0.290 0.000 1.039 257 T CA 1.193 63.459 62.100 0.277 0.000 1.142 257 T CB -0.853 68.136 68.868 0.203 0.000 0.866 257 T HN 0.529 nan 8.240 nan 0.000 0.444 258 W N 2.487 123.864 121.300 0.128 0.000 2.335 258 W HA 0.054 4.712 4.660 -0.004 0.000 0.311 258 W C 2.506 179.204 176.519 0.297 0.000 1.213 258 W CA 1.478 58.966 57.345 0.238 0.000 1.274 258 W CB -0.806 28.786 29.460 0.220 0.000 1.148 258 W HN 0.334 nan 8.180 nan 0.000 0.498 259 G N 0.018 109.016 108.800 0.331 0.000 2.491 259 G HA2 -0.342 3.616 3.960 -0.004 0.000 0.218 259 G HA3 -0.342 3.616 3.960 -0.004 0.000 0.218 259 G C 1.442 176.343 174.900 0.001 0.000 1.180 259 G CA 1.287 46.428 45.100 0.067 0.000 0.774 259 G HN 0.386 nan 8.290 nan 0.000 0.562 260 F N 0.199 120.201 119.950 0.087 0.000 2.259 260 F HA 0.134 4.659 4.527 -0.003 0.000 0.298 260 F C 2.779 178.521 175.800 -0.097 0.000 1.088 260 F CA 0.945 58.955 58.000 0.017 0.000 1.358 260 F CB 0.018 39.024 39.000 0.009 0.000 1.040 260 F HN 0.019 nan 8.300 nan 0.000 0.505 261 R N -0.093 120.384 120.500 -0.038 0.000 2.090 261 R HA -0.102 4.236 4.340 -0.004 0.000 0.228 261 R C 1.416 177.300 176.300 -0.694 0.000 1.110 261 R CA 1.576 57.434 56.100 -0.403 0.000 0.973 261 R CB -0.247 29.694 30.300 -0.598 0.000 0.869 261 R HN 0.248 nan 8.270 nan 0.000 0.440 262 F N -1.512 118.220 119.950 -0.364 0.000 2.731 262 F HA 0.303 4.828 4.527 -0.004 0.000 0.298 262 F C -0.139 175.115 175.800 -0.909 0.000 1.106 262 F CA -0.411 57.159 58.000 -0.717 0.000 1.329 262 F CB 0.604 38.920 39.000 -1.139 0.000 1.100 262 F HN -0.162 nan 8.300 nan 0.000 0.592 263 F N 0.093 119.984 119.950 -0.098 0.000 2.603 263 F HA 0.475 4.999 4.527 -0.004 0.000 0.317 263 F C -0.238 175.557 175.800 -0.008 0.000 1.066 263 F CA -1.411 56.555 58.000 -0.057 0.000 0.941 263 F CB 1.506 40.454 39.000 -0.087 0.000 1.291 263 F HN -0.188 nan 8.300 nan 0.000 0.472 264 E N -0.871 119.450 120.200 0.201 0.000 2.408 264 E HA 0.653 5.001 4.350 -0.004 0.000 0.275 264 E C -1.780 174.899 176.600 0.133 0.000 0.935 264 E CA -1.081 55.407 56.400 0.148 0.000 0.775 264 E CB 2.127 31.881 29.700 0.091 0.000 1.277 264 E HN 0.422 nan 8.360 nan 0.000 0.455 265 T N 1.254 115.883 114.554 0.124 0.000 2.771 265 T HA 0.474 4.821 4.350 -0.004 0.000 0.281 265 T C -0.251 174.516 174.700 0.112 0.000 0.982 265 T CA -0.663 61.510 62.100 0.121 0.000 0.978 265 T CB 1.039 69.995 68.868 0.145 0.000 0.930 265 T HN 0.510 nan 8.240 nan 0.000 0.447 266 V N 1.262 121.220 119.914 0.075 0.000 2.715 266 V HA 0.660 4.778 4.120 -0.004 0.000 0.310 266 V C -0.170 175.898 176.094 -0.044 0.000 1.054 266 V CA -1.048 61.265 62.300 0.021 0.000 0.928 266 V CB 1.993 33.807 31.823 -0.014 0.000 1.007 266 V HN 0.939 nan 8.190 nan 0.000 0.437 267 N N 4.209 122.842 118.700 -0.112 0.000 2.904 267 N HA 0.382 5.120 4.740 -0.004 0.000 0.257 267 N C -1.805 173.575 175.510 -0.216 0.000 1.363 267 N CA -1.397 51.456 53.050 -0.328 0.000 0.856 267 N CB 1.785 40.028 38.487 -0.407 0.000 1.166 267 N HN 0.706 nan 8.380 nan 0.000 0.499 268 P HA 0.072 nan 4.420 nan 0.000 0.236 268 P C -0.296 177.017 177.300 0.022 0.000 1.177 268 P CA 0.237 63.312 63.100 -0.042 0.000 0.773 268 P CB 0.569 32.269 31.700 0.001 0.000 0.878 269 L N -1.049 120.137 121.223 -0.062 0.000 2.565 269 L HA 0.440 4.778 4.340 -0.004 0.000 0.261 269 L C -1.141 175.679 176.870 -0.083 0.000 0.932 269 L CA -0.742 54.094 54.840 -0.006 0.000 0.878 269 L CB 2.291 44.393 42.059 0.072 0.000 1.333 269 L HN -0.338 nan 8.230 nan 0.000 0.409 270 K N 2.807 123.180 120.400 -0.046 0.000 2.166 270 K HA 0.716 5.034 4.320 -0.004 0.000 0.245 270 K C -0.921 175.668 176.600 -0.018 0.000 0.967 270 K CA -1.060 55.195 56.287 -0.052 0.000 0.863 270 K CB 2.038 34.516 32.500 -0.038 0.000 1.107 270 K HN 0.420 nan 8.250 nan 0.000 0.436 271 V N 1.761 121.667 119.914 -0.014 0.000 2.644 271 V HA 0.030 4.148 4.120 -0.004 0.000 0.305 271 V C 1.411 177.508 176.094 0.004 0.000 1.053 271 V CA 1.490 63.788 62.300 -0.002 0.000 1.186 271 V CB 0.005 31.831 31.823 0.005 0.000 0.895 271 V HN 1.156 nan 8.190 nan 0.000 0.490 272 G N 3.157 111.961 108.800 0.006 0.000 2.195 272 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.246 272 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.246 272 G C 0.148 175.054 174.900 0.011 0.000 0.984 272 G CA -0.063 45.042 45.100 0.008 0.000 0.633 272 G HN 0.570 nan 8.290 nan 0.000 0.525 273 K N 1.158 121.568 120.400 0.017 0.000 2.156 273 K HA 0.452 4.769 4.320 -0.004 0.000 0.271 273 K C 0.192 176.817 176.600 0.042 0.000 0.995 273 K CA -0.748 55.554 56.287 0.025 0.000 0.890 273 K CB 1.646 34.163 32.500 0.029 0.000 1.073 273 K HN 0.511 nan 8.250 nan 0.000 0.454 274 E N 2.736 122.953 120.200 0.028 0.000 2.299 274 E HA -0.027 4.321 4.350 -0.004 0.000 0.272 274 E C -0.111 176.520 176.600 0.052 0.000 1.043 274 E CA 0.012 56.426 56.400 0.024 0.000 0.895 274 E CB 0.276 29.968 29.700 -0.013 0.000 1.011 274 E HN 0.527 nan 8.360 nan 0.000 0.432 275 F N 4.494 124.391 119.950 -0.088 0.000 2.374 275 F HA 0.364 4.889 4.527 -0.004 0.000 0.291 275 F C 0.160 175.866 175.800 -0.157 0.000 1.084 275 F CA 0.632 58.569 58.000 -0.105 0.000 1.413 275 F CB 0.648 39.572 39.000 -0.128 0.000 1.099 275 F HN 0.488 nan 8.300 nan 0.000 0.534 276 A N -0.417 122.283 122.820 -0.201 0.000 2.609 276 A HA 0.649 4.967 4.320 -0.004 0.000 0.291 276 A C -1.085 176.396 177.584 -0.172 0.000 1.096 276 A CA -0.086 51.758 52.037 -0.322 0.000 0.684 276 A CB 0.819 19.396 19.000 -0.706 0.000 1.282 276 A HN 0.229 nan 8.150 nan 0.000 0.412 277 S N 0.335 115.967 115.700 -0.113 0.000 2.548 277 S HA 0.876 5.344 4.470 -0.004 0.000 0.286 277 S C -1.202 173.390 174.600 -0.013 0.000 1.098 277 S CA -0.657 57.508 58.200 -0.060 0.000 0.930 277 S CB 2.011 65.181 63.200 -0.051 0.000 1.070 277 S HN 0.661 nan 8.310 nan 0.000 0.480 278 E N 1.316 121.509 120.200 -0.012 0.000 2.356 278 E HA 0.538 4.886 4.350 -0.004 0.000 0.275 278 E C -2.991 173.584 176.600 -0.041 0.000 0.904 278 E CA -2.140 54.268 56.400 0.014 0.000 0.757 278 E CB 2.309 32.046 29.700 0.061 0.000 1.232 278 E HN 0.450 nan 8.360 nan 0.000 0.442 279 P HA 0.092 nan 4.420 nan 0.000 0.272 279 P C -0.295 176.867 177.300 -0.229 0.000 1.223 279 P CA -0.247 62.730 63.100 -0.205 0.000 0.784 279 P CB 0.634 32.162 31.700 -0.285 0.000 0.923 280 V N -1.704 118.001 119.914 -0.348 0.000 2.789 280 V HA 0.597 4.714 4.120 -0.004 0.000 0.311 280 V C -1.077 174.723 176.094 -0.490 0.000 1.073 280 V CA -1.029 61.126 62.300 -0.243 0.000 0.921 280 V CB 1.590 33.373 31.823 -0.067 0.000 1.009 280 V HN 0.443 nan 8.190 nan 0.000 0.426 281 W N 3.039 124.255 121.300 -0.139 0.000 2.512 281 W HA 0.796 5.453 4.660 -0.004 0.000 0.335 281 W C 0.151 176.431 176.519 -0.398 0.000 1.088 281 W CA -0.529 56.514 57.345 -0.503 0.000 1.236 281 W CB 0.861 29.698 29.460 -1.038 0.000 1.307 281 W HN 0.722 nan 8.180 nan 0.000 0.567 282 F N -0.557 119.523 119.950 0.216 0.000 2.794 282 F HA -0.203 4.322 4.527 -0.004 0.000 0.335 282 F C 1.011 176.886 175.800 0.124 0.000 0.653 282 F CA 0.259 58.346 58.000 0.145 0.000 1.266 282 F CB -1.955 37.096 39.000 0.085 0.000 1.666 282 F HN 0.444 nan 8.300 nan 0.000 0.314 283 G N 0.700 109.622 108.800 0.204 0.000 2.547 283 G HA2 0.433 4.390 3.960 -0.004 0.000 0.291 283 G HA3 0.433 4.390 3.960 -0.004 0.000 0.291 283 G C 0.600 175.573 174.900 0.122 0.000 1.211 283 G CA 0.177 45.357 45.100 0.134 0.000 0.950 283 G HN 0.258 nan 8.290 nan 0.000 0.504 284 D N -1.657 118.764 120.400 0.035 0.000 2.363 284 D HA 0.037 4.675 4.640 -0.004 0.000 0.226 284 D C 0.648 176.966 176.300 0.031 0.000 1.020 284 D CA 0.169 54.156 54.000 -0.021 0.000 0.892 284 D CB 0.147 40.882 40.800 -0.108 0.000 0.900 284 D HN 0.104 nan 8.370 nan 0.000 0.531 285 S N 0.094 115.812 115.700 0.029 0.000 2.570 285 S HA 0.273 4.741 4.470 -0.004 0.000 0.286 285 S C -0.065 174.521 174.600 -0.025 0.000 1.099 285 S CA -0.603 57.601 58.200 0.006 0.000 0.913 285 S CB 2.061 65.255 63.200 -0.011 0.000 1.085 285 S HN 0.168 nan 8.310 nan 0.000 0.480 286 D N 0.339 120.703 120.400 -0.060 0.000 2.350 286 D HA 0.050 4.688 4.640 -0.004 0.000 0.213 286 D C 0.242 176.442 176.300 -0.167 0.000 1.031 286 D CA 0.238 54.152 54.000 -0.143 0.000 0.861 286 D CB 0.286 40.993 40.800 -0.154 0.000 0.926 286 D HN 0.266 nan 8.370 nan 0.000 0.520 287 R N -0.248 120.190 120.500 -0.103 0.000 2.673 287 R HA 0.712 5.049 4.340 -0.004 0.000 0.281 287 R C -1.272 174.995 176.300 -0.054 0.000 0.991 287 R CA -0.859 55.187 56.100 -0.089 0.000 0.896 287 R CB 2.490 32.744 30.300 -0.076 0.000 1.201 287 R HN 0.030 nan 8.270 nan 0.000 0.457 288 A N 1.451 124.244 122.820 -0.044 0.000 2.292 288 A HA 0.398 4.715 4.320 -0.004 0.000 0.319 288 A C -0.267 177.300 177.584 -0.029 0.000 1.206 288 A CA -0.359 51.664 52.037 -0.024 0.000 0.835 288 A CB 1.465 20.462 19.000 -0.006 0.000 1.164 288 A HN 0.509 nan 8.150 nan 0.000 0.505 289 S N 2.524 118.209 115.700 -0.024 0.000 2.452 289 S HA 0.620 5.087 4.470 -0.004 0.000 0.284 289 S C -0.478 174.106 174.600 -0.026 0.000 1.171 289 S CA -0.421 57.762 58.200 -0.028 0.000 1.064 289 S CB -0.409 62.779 63.200 -0.020 0.000 0.967 289 S HN 0.530 nan 8.310 nan 0.000 0.484 290 L N 4.465 125.664 121.223 -0.039 0.000 2.362 290 L HA 0.863 5.200 4.340 -0.004 0.000 0.271 290 L C 0.784 177.652 176.870 -0.002 0.000 1.002 290 L CA -0.682 54.135 54.840 -0.040 0.000 0.818 290 L CB 1.969 43.971 42.059 -0.095 0.000 1.298 290 L HN 0.855 nan 8.230 nan 0.000 0.420 291 G N 1.279 110.078 108.800 -0.002 0.000 2.696 291 G HA2 0.572 4.530 3.960 -0.004 0.000 0.151 291 G HA3 0.572 4.530 3.960 -0.004 0.000 0.151 291 G C -1.216 173.664 174.900 -0.032 0.000 1.197 291 G CA 0.136 45.245 45.100 0.015 0.000 1.053 291 G HN 0.560 nan 8.290 nan 0.000 0.546 292 V N -1.439 118.461 119.914 -0.023 0.000 3.001 292 V HA 0.730 4.848 4.120 -0.004 0.000 0.314 292 V C -0.215 175.872 176.094 -0.011 0.000 1.099 292 V CA 0.092 62.376 62.300 -0.027 0.000 0.989 292 V CB 2.094 33.897 31.823 -0.033 0.000 1.040 292 V HN 0.791 nan 8.190 nan 0.000 0.434 293 D N -0.190 120.205 120.400 -0.008 0.000 2.363 293 D HA 0.234 4.872 4.640 -0.004 0.000 0.214 293 D C 0.138 176.440 176.300 0.003 0.000 1.093 293 D CA 0.069 54.069 54.000 -0.000 0.000 0.837 293 D CB 0.315 41.116 40.800 0.002 0.000 0.948 293 D HN 0.741 nan 8.370 nan 0.000 0.507 294 K N 0.400 120.800 120.400 0.000 0.000 2.561 294 K HA 0.175 4.493 4.320 -0.004 0.000 0.254 294 K C -1.553 175.045 176.600 -0.003 0.000 0.942 294 K CA -0.654 55.638 56.287 0.008 0.000 0.818 294 K CB 1.478 33.984 32.500 0.011 0.000 1.306 294 K HN -0.301 nan 8.250 nan 0.000 0.435 295 D N 2.085 122.488 120.400 0.005 0.000 2.533 295 D HA -0.004 4.634 4.640 -0.004 0.000 0.236 295 D C -0.307 175.928 176.300 -0.108 0.000 1.137 295 D CA 0.296 54.257 54.000 -0.066 0.000 0.867 295 D CB 0.849 41.636 40.800 -0.022 0.000 1.170 295 D HN 0.149 nan 8.370 nan 0.000 0.474 296 V N 4.090 123.868 119.914 -0.227 0.000 2.432 296 V HA 0.133 4.251 4.120 -0.004 0.000 0.271 296 V C -0.338 175.493 176.094 -0.439 0.000 1.046 296 V CA -0.264 61.890 62.300 -0.242 0.000 0.945 296 V CB -0.191 31.495 31.823 -0.228 0.000 0.992 296 V HN 0.354 nan 8.190 nan 0.000 0.471 297 Y N 5.260 125.467 120.300 -0.157 0.000 2.376 297 Y HA 0.712 5.259 4.550 -0.004 0.000 0.340 297 Y C -0.033 175.759 175.900 -0.180 0.000 0.965 297 Y CA -0.742 57.270 58.100 -0.147 0.000 1.078 297 Y CB 1.827 40.222 38.460 -0.108 0.000 1.193 297 Y HN 0.438 nan 8.280 nan 0.000 0.452 298 L N 2.641 123.834 121.223 -0.050 0.000 2.362 298 L HA 0.689 5.026 4.340 -0.004 0.000 0.271 298 L C -0.562 176.306 176.870 -0.003 0.000 1.002 298 L CA -0.905 53.884 54.840 -0.086 0.000 0.818 298 L CB 2.219 44.151 42.059 -0.211 0.000 1.298 298 L HN 0.500 nan 8.230 nan 0.000 0.420 299 T N 3.975 118.534 114.554 0.009 0.000 2.758 299 T HA 0.682 5.030 4.350 -0.004 0.000 0.285 299 T C -0.181 174.579 174.700 0.101 0.000 0.981 299 T CA -0.319 61.812 62.100 0.052 0.000 0.965 299 T CB 1.030 69.900 68.868 0.003 0.000 0.927 299 T HN 0.519 nan 8.240 nan 0.000 0.448 300 I N 0.587 121.245 120.570 0.147 0.000 3.108 300 I HA 0.746 4.914 4.170 -0.004 0.000 0.312 300 I C -3.038 173.190 176.117 0.186 0.000 1.095 300 I CA -3.698 57.694 61.300 0.152 0.000 1.000 300 I CB 1.918 39.965 38.000 0.078 0.000 1.229 300 I HN 0.236 nan 8.210 nan 0.000 0.454 301 P HA 0.072 nan 4.420 nan 0.000 0.266 301 P C -0.958 176.301 177.300 -0.068 0.000 1.195 301 P CA -0.088 62.947 63.100 -0.108 0.000 0.768 301 P CB 0.396 32.029 31.700 -0.111 0.000 0.838 302 R N 2.639 123.064 120.500 -0.125 0.000 2.484 302 R HA 0.300 4.638 4.340 -0.004 0.000 0.293 302 R C 1.153 177.422 176.300 -0.052 0.000 1.023 302 R CA 1.233 57.293 56.100 -0.066 0.000 1.037 302 R CB -0.909 29.329 30.300 -0.104 0.000 0.951 302 R HN 0.819 nan 8.270 nan 0.000 0.418 303 G N 3.955 112.742 108.800 -0.022 0.000 2.176 303 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.232 303 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.232 303 G C 0.672 175.571 174.900 -0.002 0.000 0.986 303 G CA -0.023 45.068 45.100 -0.015 0.000 0.643 303 G HN 0.586 nan 8.290 nan 0.000 0.522 304 R N -0.154 120.348 120.500 0.003 0.000 2.317 304 R HA 0.342 4.680 4.340 -0.004 0.000 0.208 304 R C 2.186 178.502 176.300 0.027 0.000 0.914 304 R CA 0.581 56.690 56.100 0.015 0.000 1.060 304 R CB -0.604 29.706 30.300 0.018 0.000 1.015 304 R HN 0.665 nan 8.270 nan 0.000 0.498 305 M N 1.756 121.371 119.600 0.026 0.000 2.144 305 M HA -0.249 4.228 4.480 -0.004 0.000 0.260 305 M C 1.286 177.609 176.300 0.038 0.000 1.067 305 M CA 1.979 57.298 55.300 0.032 0.000 1.095 305 M CB 0.053 32.669 32.600 0.028 0.000 1.365 305 M HN -0.101 nan 8.290 nan 0.000 0.406 306 K N -0.824 119.594 120.400 0.030 0.000 2.439 306 K HA -0.009 4.309 4.320 -0.004 0.000 0.197 306 K C 0.763 177.385 176.600 0.037 0.000 1.041 306 K CA 1.314 57.620 56.287 0.032 0.000 0.970 306 K CB -0.424 32.090 32.500 0.022 0.000 0.773 306 K HN 0.368 nan 8.250 nan 0.000 0.479 307 D N 0.146 120.570 120.400 0.040 0.000 2.360 307 D HA 0.049 4.687 4.640 -0.004 0.000 0.210 307 D C -0.164 176.173 176.300 0.062 0.000 1.047 307 D CA -0.128 53.899 54.000 0.044 0.000 0.854 307 D CB 0.039 40.861 40.800 0.036 0.000 0.936 307 D HN 0.119 nan 8.370 nan 0.000 0.514 308 L N 1.771 123.039 121.223 0.075 0.000 2.499 308 L HA 0.056 4.394 4.340 -0.004 0.000 0.273 308 L C 0.019 176.967 176.870 0.130 0.000 1.195 308 L CA 0.558 55.465 54.840 0.112 0.000 0.882 308 L CB 0.253 42.384 42.059 0.120 0.000 1.133 308 L HN -0.306 nan 8.230 nan 0.000 0.483 309 K N 4.440 124.928 120.400 0.146 0.000 2.385 309 K HA 0.869 5.187 4.320 -0.004 0.000 0.248 309 K C -1.231 175.463 176.600 0.157 0.000 0.955 309 K CA -0.677 55.689 56.287 0.131 0.000 0.816 309 K CB 2.013 34.563 32.500 0.083 0.000 1.250 309 K HN 0.611 nan 8.250 nan 0.000 0.434 310 A N 0.639 123.538 122.820 0.131 0.000 2.449 310 A HA 0.760 5.078 4.320 -0.004 0.000 0.302 310 A C -0.721 176.949 177.584 0.143 0.000 1.048 310 A CA -0.479 51.593 52.037 0.058 0.000 0.708 310 A CB 1.245 20.317 19.000 0.119 0.000 1.274 310 A HN 0.798 nan 8.150 nan 0.000 0.410 311 S N -0.105 115.661 115.700 0.110 0.000 2.688 311 S HA 0.907 5.375 4.470 -0.004 0.000 0.275 311 S C -0.999 173.757 174.600 0.259 0.000 1.175 311 S CA -0.439 57.873 58.200 0.187 0.000 0.818 311 S CB 1.082 64.299 63.200 0.028 0.000 1.157 311 S HN 1.990 nan 8.310 nan 0.000 0.482 312 Y N -1.347 119.000 120.300 0.078 0.000 2.625 312 Y HA 0.846 5.393 4.550 -0.004 0.000 0.338 312 Y C -1.092 174.822 175.900 0.025 0.000 1.123 312 Y CA -1.326 56.804 58.100 0.051 0.000 1.046 312 Y CB 0.831 39.379 38.460 0.146 0.000 1.299 312 Y HN 0.985 nan 8.280 nan 0.000 0.464 313 V N 0.304 120.280 119.914 0.104 0.000 3.001 313 V HA 0.792 4.909 4.120 -0.004 0.000 0.314 313 V C -1.151 175.031 176.094 0.145 0.000 1.099 313 V CA -1.293 61.020 62.300 0.022 0.000 0.989 313 V CB 1.846 33.672 31.823 0.005 0.000 1.040 313 V HN 0.908 nan 8.190 nan 0.000 0.434 314 L N 2.109 123.389 121.223 0.095 0.000 2.346 314 L HA 0.595 4.933 4.340 -0.004 0.000 0.274 314 L C 0.893 177.800 176.870 0.061 0.000 1.007 314 L CA -0.731 54.178 54.840 0.116 0.000 0.818 314 L CB 1.975 44.111 42.059 0.128 0.000 1.284 314 L HN 0.653 nan 8.230 nan 0.000 0.424 315 N N -0.023 118.709 118.700 0.054 0.000 2.216 315 N HA -0.036 4.702 4.740 -0.004 0.000 0.183 315 N C 0.003 175.525 175.510 0.020 0.000 1.017 315 N CA 0.693 53.761 53.050 0.031 0.000 0.861 315 N CB 0.186 38.689 38.487 0.027 0.000 0.986 315 N HN 0.483 nan 8.380 nan 0.000 0.428 316 S N -1.362 114.351 115.700 0.023 0.000 2.607 316 S HA 0.265 4.733 4.470 -0.004 0.000 0.303 316 S C 1.015 175.623 174.600 0.014 0.000 1.086 316 S CA -0.750 57.451 58.200 0.003 0.000 0.995 316 S CB 2.393 65.580 63.200 -0.020 0.000 1.084 316 S HN 0.078 nan 8.310 nan 0.000 0.507 317 S N 0.749 116.450 115.700 0.001 0.000 2.368 317 S HA -0.036 4.431 4.470 -0.004 0.000 0.225 317 S C 0.333 174.968 174.600 0.058 0.000 1.030 317 S CA 1.322 59.534 58.200 0.021 0.000 0.999 317 S CB -0.120 63.084 63.200 0.008 0.000 0.844 317 S HN 0.711 nan 8.310 nan 0.000 0.459 318 E N -0.200 120.020 120.200 0.034 0.000 2.312 318 E HA 0.482 4.829 4.350 -0.004 0.000 0.267 318 E C -1.412 175.245 176.600 0.094 0.000 0.894 318 E CA -0.567 55.916 56.400 0.138 0.000 0.773 318 E CB 1.900 31.710 29.700 0.185 0.000 1.241 318 E HN 0.204 nan 8.360 nan 0.000 0.432 319 L N 2.634 124.014 121.223 0.261 0.000 2.275 319 L HA 0.387 4.725 4.340 -0.004 0.000 0.288 319 L C -0.369 176.801 176.870 0.500 0.000 1.046 319 L CA -0.344 54.640 54.840 0.240 0.000 0.805 319 L CB 0.583 42.736 42.059 0.158 0.000 1.193 319 L HN 0.441 nan 8.230 nan 0.000 0.426 320 H N 2.278 121.493 119.070 0.241 0.000 2.539 320 H HA 0.453 5.007 4.556 -0.003 0.000 0.332 320 H C -0.048 175.452 175.328 0.286 0.000 1.031 320 H CA -1.024 55.233 56.048 0.350 0.000 1.206 320 H CB 1.969 31.986 29.762 0.425 0.000 1.446 320 H HN 0.787 nan 8.280 nan 0.000 0.496 321 A N 5.046 128.107 122.820 0.401 0.000 2.507 321 A HA 0.137 4.454 4.320 -0.004 0.000 0.235 321 A C -2.059 175.668 177.584 0.240 0.000 1.070 321 A CA -0.991 51.206 52.037 0.266 0.000 0.768 321 A CB -0.295 18.841 19.000 0.227 0.000 1.011 321 A HN 0.484 nan 8.150 nan 0.000 0.502 322 P HA 0.325 nan 4.420 nan 0.000 0.276 322 P C -1.199 176.159 177.300 0.098 0.000 1.230 322 P CA -0.210 62.951 63.100 0.100 0.000 0.776 322 P CB 0.682 32.419 31.700 0.062 0.000 0.888 323 L N 3.368 124.639 121.223 0.080 0.000 2.305 323 L HA 0.372 4.710 4.340 -0.004 0.000 0.284 323 L C 0.682 177.577 176.870 0.042 0.000 1.013 323 L CA -0.389 54.490 54.840 0.065 0.000 0.819 323 L CB 0.999 43.096 42.059 0.063 0.000 1.227 323 L HN 0.394 nan 8.230 nan 0.000 0.417 324 Q N 1.896 121.717 119.800 0.036 0.000 2.306 324 Q HA 0.237 4.575 4.340 -0.004 0.000 0.241 324 Q C -0.189 175.822 176.000 0.019 0.000 0.948 324 Q CA -0.223 55.594 55.803 0.024 0.000 0.886 324 Q CB 1.130 29.881 28.738 0.022 0.000 1.227 324 Q HN 0.342 nan 8.270 nan 0.000 0.457 325 K N 1.716 122.124 120.400 0.014 0.000 2.489 325 K HA -0.132 4.186 4.320 -0.004 0.000 0.278 325 K C -0.484 176.122 176.600 0.010 0.000 1.000 325 K CA 0.805 57.098 56.287 0.010 0.000 1.012 325 K CB 0.038 32.543 32.500 0.008 0.000 0.903 325 K HN 0.778 nan 8.250 nan 0.000 0.485 326 N N 1.231 119.936 118.700 0.008 0.000 2.828 326 N HA -0.273 4.464 4.740 -0.004 0.000 0.248 326 N C -0.744 174.772 175.510 0.010 0.000 1.044 326 N CA 0.654 53.708 53.050 0.007 0.000 0.851 326 N CB -0.758 37.733 38.487 0.007 0.000 1.136 326 N HN 0.709 nan 8.380 nan 0.000 0.572 327 Q N 1.485 121.294 119.800 0.014 0.000 2.300 327 Q HA 0.228 4.566 4.340 -0.004 0.000 0.280 327 Q C -0.365 175.644 176.000 0.016 0.000 1.033 327 Q CA -0.015 55.799 55.803 0.018 0.000 0.903 327 Q CB 0.737 29.491 28.738 0.026 0.000 1.195 327 Q HN 0.122 nan 8.270 nan 0.000 0.386 328 V N 5.994 125.917 119.914 0.015 0.000 2.470 328 V HA 0.029 4.147 4.120 -0.004 0.000 0.276 328 V C 0.849 176.956 176.094 0.021 0.000 1.040 328 V CA 0.251 62.560 62.300 0.014 0.000 1.008 328 V CB 0.886 32.716 31.823 0.012 0.000 0.990 328 V HN 0.823 nan 8.190 nan 0.000 0.477 329 V N 1.744 121.673 119.914 0.024 0.000 3.398 329 V HA 0.823 4.941 4.120 -0.004 0.000 0.298 329 V C 0.556 176.682 176.094 0.053 0.000 1.496 329 V CA 0.748 63.071 62.300 0.038 0.000 1.044 329 V CB 0.093 31.942 31.823 0.042 0.000 0.880 329 V HN 0.999 nan 8.190 nan 0.000 0.443 330 G N -0.448 108.381 108.800 0.048 0.000 2.428 330 G HA2 0.547 4.505 3.960 -0.004 0.000 0.305 330 G HA3 0.547 4.505 3.960 -0.004 0.000 0.305 330 G C -1.286 173.642 174.900 0.047 0.000 1.260 330 G CA 0.244 45.387 45.100 0.072 0.000 0.853 330 G HN 0.188 nan 8.290 nan 0.000 0.480 331 T N 0.421 115.013 114.554 0.063 0.000 2.952 331 T HA 0.559 4.907 4.350 -0.004 0.000 0.305 331 T C -0.612 174.092 174.700 0.008 0.000 1.064 331 T CA -0.268 61.844 62.100 0.020 0.000 1.008 331 T CB 1.522 70.402 68.868 0.020 0.000 1.078 331 T HN 0.516 nan 8.240 nan 0.000 0.459 332 I N 3.138 123.642 120.570 -0.108 0.000 2.331 332 I HA 0.353 4.521 4.170 -0.004 0.000 0.292 332 I C 0.049 175.990 176.117 -0.293 0.000 0.998 332 I CA -0.624 60.498 61.300 -0.298 0.000 1.267 332 I CB 1.011 38.603 38.000 -0.680 0.000 1.386 332 I HN 0.556 nan 8.210 nan 0.000 0.476 333 N N 6.087 124.619 118.700 -0.280 0.000 2.424 333 N HA 0.469 5.207 4.740 -0.004 0.000 0.271 333 N C -1.304 174.031 175.510 -0.291 0.000 0.985 333 N CA -0.508 52.443 53.050 -0.166 0.000 0.921 333 N CB 1.242 39.697 38.487 -0.054 0.000 1.149 333 N HN 0.319 nan 8.380 nan 0.000 0.492 334 F N 1.433 121.390 119.950 0.011 0.000 2.420 334 F HA 0.378 4.902 4.527 -0.004 0.000 0.342 334 F C 0.589 176.408 175.800 0.032 0.000 1.113 334 F CA -0.519 57.495 58.000 0.024 0.000 1.059 334 F CB 1.272 40.275 39.000 0.004 0.000 1.128 334 F HN 0.185 nan 8.300 nan 0.000 0.475 335 Q N 3.777 123.697 119.800 0.200 0.000 2.397 335 Q HA 0.690 5.028 4.340 -0.004 0.000 0.275 335 Q C -1.388 174.679 176.000 0.111 0.000 1.090 335 Q CA -0.974 54.902 55.803 0.122 0.000 0.809 335 Q CB 3.497 32.282 28.738 0.077 0.000 1.362 335 Q HN 0.598 nan 8.270 nan 0.000 0.431 336 L N 2.130 123.404 121.223 0.084 0.000 2.438 336 L HA 0.306 4.644 4.340 -0.004 0.000 0.270 336 L C -0.981 175.919 176.870 0.051 0.000 0.972 336 L CA -0.477 54.404 54.840 0.068 0.000 0.831 336 L CB 1.912 44.011 42.059 0.066 0.000 1.273 336 L HN 0.750 nan 8.230 nan 0.000 0.405 337 D N 3.401 123.827 120.400 0.042 0.000 2.708 337 D HA -0.203 4.435 4.640 -0.004 0.000 0.236 337 D C 1.079 177.397 176.300 0.031 0.000 1.146 337 D CA 1.373 55.393 54.000 0.033 0.000 0.662 337 D CB -0.804 40.013 40.800 0.029 0.000 1.059 337 D HN 1.121 nan 8.370 nan 0.000 0.428 338 G N -0.196 108.624 108.800 0.033 0.000 2.184 338 G HA2 -0.379 3.579 3.960 -0.004 0.000 0.264 338 G HA3 -0.379 3.579 3.960 -0.004 0.000 0.264 338 G C 0.305 175.223 174.900 0.029 0.000 0.975 338 G CA 0.842 45.959 45.100 0.028 0.000 0.642 338 G HN 0.619 nan 8.290 nan 0.000 0.536 339 K N 1.100 121.522 120.400 0.037 0.000 2.274 339 K HA 0.535 4.853 4.320 -0.004 0.000 0.262 339 K C 0.072 176.702 176.600 0.051 0.000 0.961 339 K CA -0.392 55.918 56.287 0.038 0.000 0.833 339 K CB 0.807 33.328 32.500 0.036 0.000 1.102 339 K HN 0.007 nan 8.250 nan 0.000 0.436 340 T N 5.150 119.733 114.554 0.048 0.000 2.831 340 T HA 0.050 4.398 4.350 -0.004 0.000 0.291 340 T C 1.318 176.061 174.700 0.072 0.000 0.981 340 T CA 0.165 62.302 62.100 0.062 0.000 1.174 340 T CB -0.094 68.802 68.868 0.046 0.000 0.929 340 T HN 0.636 nan 8.240 nan 0.000 0.532 341 I N -0.288 120.341 120.570 0.097 0.000 3.939 341 I HA 0.464 4.631 4.170 -0.004 0.000 0.313 341 I C 0.314 176.485 176.117 0.091 0.000 1.274 341 I CA 0.057 61.409 61.300 0.087 0.000 1.301 341 I CB 0.444 38.496 38.000 0.087 0.000 1.105 341 I HN 0.284 nan 8.210 nan 0.000 0.427 342 E N 1.876 122.158 120.200 0.138 0.000 2.352 342 E HA 0.479 4.827 4.350 -0.004 0.000 0.280 342 E C -1.429 175.303 176.600 0.220 0.000 0.930 342 E CA -0.425 56.066 56.400 0.151 0.000 0.765 342 E CB 2.397 32.166 29.700 0.114 0.000 1.219 342 E HN 0.270 nan 8.360 nan 0.000 0.434 343 Q N 1.657 121.547 119.800 0.150 0.000 2.365 343 Q HA 0.616 4.954 4.340 -0.004 0.000 0.269 343 Q C -0.511 175.556 176.000 0.111 0.000 1.061 343 Q CA -1.037 54.836 55.803 0.116 0.000 0.816 343 Q CB 2.580 31.351 28.738 0.055 0.000 1.325 343 Q HN 0.154 nan 8.270 nan 0.000 0.446 344 R N 1.270 121.822 120.500 0.088 0.000 2.698 344 R HA 0.500 4.838 4.340 -0.004 0.000 0.275 344 R C -2.835 173.463 176.300 -0.002 0.000 1.001 344 R CA -2.372 53.763 56.100 0.058 0.000 0.896 344 R CB 1.274 31.642 30.300 0.113 0.000 1.218 344 R HN 0.417 nan 8.270 nan 0.000 0.462 345 P HA 0.079 nan 4.420 nan 0.000 0.268 345 P C -0.526 176.752 177.300 -0.038 0.000 1.204 345 P CA -0.421 62.671 63.100 -0.013 0.000 0.768 345 P CB 0.471 32.169 31.700 -0.003 0.000 0.842 346 L N 6.129 127.330 121.223 -0.036 0.000 2.264 346 L HA 0.484 4.822 4.340 -0.004 0.000 0.289 346 L C -0.431 176.425 176.870 -0.025 0.000 1.044 346 L CA -0.390 54.418 54.840 -0.054 0.000 0.807 346 L CB 0.748 42.776 42.059 -0.051 0.000 1.192 346 L HN 0.223 nan 8.230 nan 0.000 0.425 347 V N 3.252 123.150 119.914 -0.027 0.000 3.001 347 V HA 0.662 4.780 4.120 -0.004 0.000 0.314 347 V C -0.511 175.578 176.094 -0.008 0.000 1.099 347 V CA -0.898 61.396 62.300 -0.010 0.000 0.989 347 V CB 1.907 33.727 31.823 -0.006 0.000 1.040 347 V HN 0.390 nan 8.190 nan 0.000 0.434 348 V N 3.802 123.717 119.914 0.002 0.000 2.488 348 V HA 0.217 4.335 4.120 -0.004 0.000 0.277 348 V C 1.211 177.306 176.094 0.002 0.000 1.046 348 V CA 0.046 62.348 62.300 0.003 0.000 0.986 348 V CB 0.779 32.610 31.823 0.013 0.000 0.989 348 V HN 0.882 nan 8.190 nan 0.000 0.475 349 L N 3.388 124.610 121.223 -0.001 0.000 2.209 349 L HA 0.130 4.468 4.340 -0.004 0.000 0.207 349 L C 0.793 177.663 176.870 0.001 0.000 1.094 349 L CA 0.953 55.793 54.840 0.000 0.000 0.790 349 L CB -0.001 42.058 42.059 -0.001 0.000 0.932 349 L HN 0.660 nan 8.230 nan 0.000 0.447 350 Q N 0.248 120.048 119.800 0.000 0.000 2.304 350 Q HA 0.234 4.572 4.340 -0.004 0.000 0.270 350 Q C -0.788 175.214 176.000 0.003 0.000 1.035 350 Q CA -0.400 55.403 55.803 0.000 0.000 0.781 350 Q CB 2.635 31.371 28.738 -0.003 0.000 1.261 350 Q HN 0.037 nan 8.270 nan 0.000 0.444 351 E N 2.965 123.167 120.200 0.005 0.000 2.481 351 E HA -0.019 4.329 4.350 -0.004 0.000 0.263 351 E C -0.663 175.943 176.600 0.009 0.000 0.992 351 E CA 0.299 56.704 56.400 0.009 0.000 0.938 351 E CB 0.569 30.273 29.700 0.007 0.000 0.933 351 E HN 0.415 nan 8.360 nan 0.000 0.453 352 I N 7.050 127.631 120.570 0.019 0.000 2.495 352 I HA 0.246 4.413 4.170 -0.004 0.000 0.277 352 I C -2.227 173.909 176.117 0.032 0.000 1.045 352 I CA -2.197 59.116 61.300 0.022 0.000 1.135 352 I CB 0.743 38.761 38.000 0.031 0.000 1.241 352 I HN 0.339 nan 8.210 nan 0.000 0.469 353 P HA 0.200 nan 4.420 nan 0.000 0.276 353 P C -0.081 177.236 177.300 0.029 0.000 1.261 353 P CA -0.393 62.717 63.100 0.017 0.000 0.800 353 P CB 0.991 32.685 31.700 -0.009 0.000 1.066 354 E N -0.414 119.809 120.200 0.040 0.000 2.442 354 E HA 0.156 4.504 4.350 -0.004 0.000 0.262 354 E C 0.861 177.461 176.600 -0.000 0.000 1.004 354 E CA 0.072 56.510 56.400 0.063 0.000 0.928 354 E CB 0.083 29.814 29.700 0.052 0.000 0.937 354 E HN 0.491 nan 8.360 nan 0.000 0.446 355 G N 2.455 111.277 108.800 0.037 0.000 2.414 355 G HA2 -0.035 3.922 3.960 -0.004 0.000 0.236 355 G HA3 -0.035 3.922 3.960 -0.004 0.000 0.236 355 G C -0.252 174.428 174.900 -0.366 0.000 1.293 355 G CA -0.118 44.871 45.100 -0.185 0.000 0.869 355 G HN 0.521 nan 8.290 nan 0.000 0.556 356 N N 0.538 118.783 118.700 -0.757 0.000 2.410 356 N HA 0.642 5.380 4.740 -0.004 0.000 0.287 356 N C -1.030 174.049 175.510 -0.718 0.000 1.044 356 N CA -0.584 52.159 53.050 -0.511 0.000 0.881 356 N CB 1.095 39.436 38.487 -0.244 0.000 1.405 356 N HN 0.329 nan 8.380 nan 0.000 0.490 357 F N 0.000 119.962 119.950 0.019 0.000 2.286 357 F HA 0.000 4.525 4.527 -0.004 0.000 0.279 357 F CA 0.000 58.010 58.000 0.016 0.000 1.383 357 F CB 0.000 39.012 39.000 0.019 0.000 1.145 357 F HN 0.000 nan 8.300 nan 0.000 0.574