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 2zl0_1_C DATA FIRST_RESID 20 DATA SEQUENCE DIYSRLLKDR IVLLSGEIND SVASSIVAQL LFLEAEDPEK DIGLYINSPG DATA SEQUENCE GVITSGLSIY DTMNFIRPDV STICIGQAAS MGAFLLSCGA KGKRFSLPHS DATA SEQUENCE RIMIHQPLGG AQGQASDIEI ISNEILRLKG LMNSILAQNS GQSLEQIAKD DATA SEQUENCE TDRDFYMSAK EAKEYGLIDK VLQ 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.305 176.300 0.009 0.000 2.045 20 D CA 0.000 54.024 54.000 0.040 0.000 0.868 20 D CB 0.000 40.864 40.800 0.106 0.000 0.688 21 I N 0.038 120.570 120.570 -0.062 0.000 2.145 21 I HA -0.228 3.942 4.170 -0.000 0.000 0.244 21 I C 1.432 177.422 176.117 -0.212 0.000 1.075 21 I CA 1.719 62.902 61.300 -0.196 0.000 1.332 21 I CB -0.443 37.338 38.000 -0.366 0.000 1.033 21 I HN 0.538 nan 8.210 nan 0.000 0.410 22 Y N 0.467 120.746 120.300 -0.035 0.000 2.070 22 Y HA -0.233 4.317 4.550 -0.000 0.000 0.279 22 Y C 2.859 178.739 175.900 -0.034 0.000 1.134 22 Y CA 1.891 59.968 58.100 -0.039 0.000 1.113 22 Y CB -1.387 37.054 38.460 -0.032 0.000 0.981 22 Y HN 0.099 nan 8.280 nan 0.000 0.487 23 S N 0.144 115.931 115.700 0.145 0.000 2.389 23 S HA -0.295 4.175 4.470 -0.000 0.000 0.231 23 S C 2.133 176.755 174.600 0.037 0.000 1.052 23 S CA 1.509 59.745 58.200 0.060 0.000 1.053 23 S CB -0.395 62.821 63.200 0.027 0.000 0.886 23 S HN 0.286 nan 8.310 nan 0.000 0.456 24 R N 1.312 121.821 120.500 0.015 0.000 2.080 24 R HA -0.043 4.297 4.340 -0.000 0.000 0.236 24 R C 2.082 178.381 176.300 -0.001 0.000 1.137 24 R CA 1.505 57.603 56.100 -0.002 0.000 0.943 24 R CB -0.972 29.309 30.300 -0.031 0.000 0.846 24 R HN 0.470 nan 8.270 nan 0.000 0.431 25 L N 0.960 122.172 121.223 -0.018 0.000 2.362 25 L HA -0.148 4.192 4.340 -0.000 0.000 0.219 25 L C 2.363 179.243 176.870 0.017 0.000 1.134 25 L CA 0.107 54.930 54.840 -0.028 0.000 0.807 25 L CB -0.376 41.635 42.059 -0.079 0.000 0.927 25 L HN 0.145 nan 8.230 nan 0.000 0.447 26 L N 0.956 122.210 121.223 0.051 0.000 2.072 26 L HA -0.178 4.162 4.340 -0.000 0.000 0.205 26 L C 2.562 179.506 176.870 0.123 0.000 1.079 26 L CA 1.669 56.564 54.840 0.093 0.000 0.752 26 L CB -0.545 41.569 42.059 0.091 0.000 0.906 26 L HN 0.280 nan 8.230 nan 0.000 0.436 27 K N -1.796 118.668 120.400 0.106 0.000 2.515 27 K HA -0.082 4.238 4.320 -0.000 0.000 0.196 27 K C 0.276 176.918 176.600 0.069 0.000 1.038 27 K CA 1.252 57.606 56.287 0.112 0.000 0.967 27 K CB -0.283 32.270 32.500 0.089 0.000 0.780 27 K HN 0.282 nan 8.250 nan 0.000 0.483 28 D N 0.987 121.419 120.400 0.053 0.000 2.369 28 D HA 0.106 4.746 4.640 -0.000 0.000 0.211 28 D C -0.266 176.063 176.300 0.049 0.000 1.077 28 D CA -0.069 53.952 54.000 0.036 0.000 0.842 28 D CB 0.360 41.169 40.800 0.015 0.000 0.947 28 D HN 0.150 nan 8.370 nan 0.000 0.509 29 R N -0.260 120.283 120.500 0.070 0.000 3.644 29 R HA -0.126 4.214 4.340 -0.000 0.000 0.308 29 R C -0.619 175.745 176.300 0.107 0.000 1.161 29 R CA 0.277 56.428 56.100 0.085 0.000 0.819 29 R CB -2.124 28.213 30.300 0.062 0.000 1.363 29 R HN 0.255 nan 8.270 nan 0.000 0.479 30 I N 1.170 121.794 120.570 0.091 0.000 2.354 30 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 30 I C 0.353 176.528 176.117 0.096 0.000 0.989 30 I CA -0.911 60.447 61.300 0.096 0.000 1.188 30 I CB 1.924 39.873 38.000 -0.085 0.000 1.342 30 I HN -0.223 nan 8.210 nan 0.000 0.457 31 V N 7.547 127.560 119.914 0.166 0.000 2.350 31 V HA 0.270 4.390 4.120 -0.000 0.000 0.285 31 V C -0.199 175.994 176.094 0.165 0.000 1.014 31 V CA -0.617 61.768 62.300 0.142 0.000 0.831 31 V CB 1.489 33.394 31.823 0.138 0.000 1.000 31 V HN 0.397 nan 8.190 nan 0.000 0.433 32 L N 5.938 127.235 121.223 0.123 0.000 2.334 32 L HA 0.340 4.680 4.340 -0.000 0.000 0.286 32 L C -0.145 176.786 176.870 0.101 0.000 1.108 32 L CA 0.159 55.081 54.840 0.136 0.000 0.875 32 L CB 0.759 42.908 42.059 0.149 0.000 1.246 32 L HN 0.583 nan 8.230 nan 0.000 0.439 33 L N 3.381 124.676 121.223 0.121 0.000 2.295 33 L HA 0.462 4.802 4.340 -0.000 0.000 0.288 33 L C 0.209 177.126 176.870 0.078 0.000 1.079 33 L CA 0.708 55.598 54.840 0.083 0.000 0.830 33 L CB 0.590 42.703 42.059 0.090 0.000 1.200 33 L HN 0.553 nan 8.230 nan 0.000 0.438 34 S N 3.846 119.575 115.700 0.048 0.000 2.538 34 S HA 0.905 5.375 4.470 -0.000 0.000 0.288 34 S C -0.138 174.477 174.600 0.024 0.000 1.108 34 S CA 0.222 58.450 58.200 0.047 0.000 0.971 34 S CB 0.943 64.178 63.200 0.057 0.000 1.041 34 S HN 1.541 nan 8.310 nan 0.000 0.483 35 G N 3.335 112.152 108.800 0.029 0.000 2.760 35 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.246 35 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.246 35 G C -0.678 174.232 174.900 0.017 0.000 1.359 35 G CA -0.404 44.707 45.100 0.019 0.000 0.861 35 G HN 0.869 nan 8.290 nan 0.000 0.541 36 E N -0.979 119.229 120.200 0.013 0.000 2.458 36 E HA 0.291 4.641 4.350 -0.000 0.000 0.264 36 E C 0.486 177.094 176.600 0.013 0.000 1.097 36 E CA 0.470 56.877 56.400 0.012 0.000 0.973 36 E CB 0.451 30.157 29.700 0.011 0.000 0.963 36 E HN 0.442 nan 8.360 nan 0.000 0.451 37 I N 2.646 123.226 120.570 0.015 0.000 2.404 37 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 37 I C -0.297 175.829 176.117 0.015 0.000 0.992 37 I CA -0.613 60.698 61.300 0.019 0.000 1.149 37 I CB 1.181 39.197 38.000 0.028 0.000 1.315 37 I HN 0.596 nan 8.210 nan 0.000 0.446 38 N N 2.341 121.049 118.700 0.014 0.000 3.039 38 N HA 0.247 4.987 4.740 -0.000 0.000 0.257 38 N C -0.264 175.252 175.510 0.011 0.000 1.497 38 N CA -0.731 52.325 53.050 0.010 0.000 0.861 38 N CB 0.535 39.025 38.487 0.006 0.000 1.479 38 N HN 0.226 nan 8.380 nan 0.000 0.547 39 D N -0.578 119.827 120.400 0.008 0.000 2.190 39 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 39 D C 1.547 177.851 176.300 0.006 0.000 0.992 39 D CA 2.170 56.175 54.000 0.008 0.000 0.854 39 D CB -0.256 40.547 40.800 0.005 0.000 0.936 39 D HN 0.617 nan 8.370 nan 0.000 0.462 40 S N -0.509 115.191 115.700 0.001 0.000 2.371 40 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 40 S C 2.137 176.734 174.600 -0.005 0.000 1.029 40 S CA 0.717 58.915 58.200 -0.003 0.000 0.978 40 S CB -0.511 62.684 63.200 -0.008 0.000 0.833 40 S HN 0.102 nan 8.310 nan 0.000 0.466 41 V N 2.448 122.360 119.914 -0.003 0.000 2.427 41 V HA -0.006 4.114 4.120 -0.000 0.000 0.248 41 V C 3.145 179.245 176.094 0.010 0.000 1.051 41 V CA 1.493 63.790 62.300 -0.004 0.000 1.048 41 V CB -1.436 30.386 31.823 -0.002 0.000 0.666 41 V HN 0.670 nan 8.190 nan 0.000 0.456 42 A N -0.091 122.740 122.820 0.020 0.000 1.873 42 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 42 A C 2.481 180.085 177.584 0.033 0.000 1.186 42 A CA 2.116 54.173 52.037 0.034 0.000 0.616 42 A CB -0.760 18.262 19.000 0.037 0.000 0.823 42 A HN 0.496 nan 8.150 nan 0.000 0.442 43 S N -0.214 115.500 115.700 0.023 0.000 2.400 43 S HA -0.152 4.318 4.470 -0.000 0.000 0.232 43 S C 2.257 176.871 174.600 0.022 0.000 1.025 43 S CA 1.398 59.611 58.200 0.022 0.000 0.993 43 S CB -0.369 62.839 63.200 0.013 0.000 0.808 43 S HN 0.675 nan 8.310 nan 0.000 0.478 44 S N 1.204 116.911 115.700 0.012 0.000 2.348 44 S HA -0.067 4.403 4.470 -0.000 0.000 0.221 44 S C 1.830 176.444 174.600 0.022 0.000 1.033 44 S CA 0.878 59.080 58.200 0.004 0.000 1.010 44 S CB -0.345 62.845 63.200 -0.016 0.000 0.891 44 S HN 0.307 nan 8.310 nan 0.000 0.442 45 I N 1.815 122.405 120.570 0.034 0.000 2.127 45 I HA -0.116 4.054 4.170 -0.000 0.000 0.241 45 I C 2.501 178.661 176.117 0.072 0.000 1.075 45 I CA 1.055 62.389 61.300 0.056 0.000 1.334 45 I CB -1.780 36.260 38.000 0.065 0.000 1.040 45 I HN 0.186 nan 8.210 nan 0.000 0.405 46 V N 1.633 121.589 119.914 0.069 0.000 2.250 46 V HA -0.351 3.769 4.120 -0.000 0.000 0.250 46 V C 2.879 179.027 176.094 0.091 0.000 1.060 46 V CA 2.288 64.636 62.300 0.080 0.000 1.030 46 V CB -1.379 30.482 31.823 0.064 0.000 0.643 46 V HN 0.512 nan 8.190 nan 0.000 0.445 47 A N -1.135 121.729 122.820 0.073 0.000 1.917 47 A HA -0.334 3.986 4.320 -0.000 0.000 0.219 47 A C 2.180 179.832 177.584 0.113 0.000 1.182 47 A CA 2.279 54.364 52.037 0.079 0.000 0.633 47 A CB -0.562 18.461 19.000 0.039 0.000 0.819 47 A HN 0.671 nan 8.150 nan 0.000 0.448 48 Q N -0.660 119.199 119.800 0.098 0.000 2.124 48 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 48 Q C 2.116 178.232 176.000 0.193 0.000 0.977 48 Q CA 1.356 57.242 55.803 0.138 0.000 0.850 48 Q CB -0.288 28.510 28.738 0.099 0.000 0.901 48 Q HN 0.712 nan 8.270 nan 0.000 0.429 49 L N 0.190 121.500 121.223 0.145 0.000 2.005 49 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 49 L C 2.341 179.285 176.870 0.124 0.000 1.072 49 L CA 0.954 55.870 54.840 0.127 0.000 0.744 49 L CB -0.546 41.581 42.059 0.112 0.000 0.895 49 L HN 0.259 nan 8.230 nan 0.000 0.433 50 L N -0.983 120.325 121.223 0.141 0.000 1.971 50 L HA -0.299 4.041 4.340 -0.000 0.000 0.215 50 L C 2.628 179.575 176.870 0.129 0.000 1.072 50 L CA 1.572 56.489 54.840 0.129 0.000 0.758 50 L CB -0.797 41.351 42.059 0.149 0.000 0.889 50 L HN 0.167 nan 8.230 nan 0.000 0.433 51 F N 1.027 120.997 119.950 0.033 0.000 2.027 51 F HA -0.309 4.218 4.527 -0.000 0.000 0.297 51 F C 2.334 178.145 175.800 0.018 0.000 1.129 51 F CA 1.854 59.868 58.000 0.024 0.000 1.195 51 F CB -0.607 38.408 39.000 0.025 0.000 0.960 51 F HN -0.127 nan 8.300 nan 0.000 0.485 52 L N -0.042 121.156 121.223 -0.042 0.000 2.089 52 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 52 L C 2.453 179.220 176.870 -0.172 0.000 1.079 52 L CA 1.888 56.631 54.840 -0.163 0.000 0.758 52 L CB -0.999 41.078 42.059 0.029 0.000 0.891 52 L HN 0.319 nan 8.230 nan 0.000 0.433 53 E N 0.980 121.125 120.200 -0.091 0.000 2.007 53 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 53 E C 2.091 178.613 176.600 -0.130 0.000 0.999 53 E CA 1.642 57.988 56.400 -0.090 0.000 0.811 53 E CB -0.333 29.331 29.700 -0.060 0.000 0.762 53 E HN 0.301 nan 8.360 nan 0.000 0.450 54 A N 0.608 123.352 122.820 -0.126 0.000 2.194 54 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 54 A C 1.781 179.245 177.584 -0.201 0.000 1.162 54 A CA 1.705 53.666 52.037 -0.126 0.000 0.674 54 A CB -0.521 18.439 19.000 -0.066 0.000 0.789 54 A HN 0.294 nan 8.150 nan 0.000 0.470 55 E N -0.013 120.002 120.200 -0.308 0.000 2.041 55 E HA 0.016 4.366 4.350 -0.000 0.000 0.202 55 E C -0.170 176.320 176.600 -0.184 0.000 0.945 55 E CA 0.633 56.837 56.400 -0.327 0.000 0.878 55 E CB -0.456 28.949 29.700 -0.492 0.000 0.886 55 E HN 0.456 nan 8.360 nan 0.000 0.487 56 D N 1.400 121.706 120.400 -0.157 0.000 2.458 56 D HA 0.150 4.790 4.640 -0.000 0.000 0.258 56 D C -2.066 174.184 176.300 -0.083 0.000 1.134 56 D CA -2.025 51.916 54.000 -0.099 0.000 0.915 56 D CB 1.085 41.838 40.800 -0.078 0.000 1.028 56 D HN -0.123 nan 8.370 nan 0.000 0.508 57 P HA -0.087 nan 4.420 nan 0.000 0.250 57 P C 0.185 177.452 177.300 -0.055 0.000 1.239 57 P CA 0.663 63.719 63.100 -0.073 0.000 0.756 57 P CB 0.605 32.257 31.700 -0.079 0.000 1.013 58 E N -0.359 119.814 120.200 -0.045 0.000 2.357 58 E HA 0.084 4.434 4.350 -0.000 0.000 0.202 58 E C 0.704 177.291 176.600 -0.022 0.000 0.855 58 E CA 0.069 56.450 56.400 -0.032 0.000 1.048 58 E CB -0.127 29.555 29.700 -0.029 0.000 1.037 58 E HN 0.235 nan 8.360 nan 0.000 0.499 59 K N 2.618 123.004 120.400 -0.023 0.000 2.412 59 K HA 0.001 4.321 4.320 -0.000 0.000 0.281 59 K C -0.241 176.358 176.600 -0.002 0.000 1.027 59 K CA -0.208 56.072 56.287 -0.011 0.000 0.989 59 K CB 0.509 33.001 32.500 -0.014 0.000 0.935 59 K HN -0.158 nan 8.250 nan 0.000 0.475 60 D N 2.700 123.106 120.400 0.010 0.000 2.341 60 D HA 0.026 4.666 4.640 -0.000 0.000 0.235 60 D C 0.232 176.553 176.300 0.034 0.000 1.265 60 D CA 0.579 54.593 54.000 0.024 0.000 0.888 60 D CB 0.482 41.302 40.800 0.033 0.000 1.192 60 D HN 0.383 nan 8.370 nan 0.000 0.462 61 I N -0.335 120.265 120.570 0.050 0.000 2.545 61 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 61 I C 0.478 176.650 176.117 0.092 0.000 1.040 61 I CA -0.842 60.501 61.300 0.072 0.000 1.068 61 I CB 2.287 40.330 38.000 0.072 0.000 1.251 61 I HN 0.234 nan 8.210 nan 0.000 0.424 62 G N 6.178 115.058 108.800 0.135 0.000 2.655 62 G HA2 0.458 4.418 3.960 -0.000 0.000 0.334 62 G HA3 0.458 4.418 3.960 -0.000 0.000 0.334 62 G C -0.872 174.178 174.900 0.251 0.000 1.099 62 G CA -0.345 44.851 45.100 0.160 0.000 1.075 62 G HN 0.401 nan 8.290 nan 0.000 0.463 63 L N 3.828 125.137 121.223 0.143 0.000 2.334 63 L HA 0.416 4.756 4.340 -0.000 0.000 0.286 63 L C -0.788 176.166 176.870 0.140 0.000 1.108 63 L CA -1.257 53.686 54.840 0.171 0.000 0.875 63 L CB -0.667 41.460 42.059 0.113 0.000 1.246 63 L HN 0.430 nan 8.230 nan 0.000 0.439 64 Y N 5.694 126.033 120.300 0.064 0.000 2.531 64 Y HA 0.298 4.848 4.550 0.000 0.000 0.347 64 Y C 0.389 176.325 175.900 0.061 0.000 1.024 64 Y CA -0.098 58.039 58.100 0.062 0.000 1.306 64 Y CB 0.100 38.595 38.460 0.059 0.000 1.149 64 Y HN 0.410 nan 8.280 nan 0.000 0.527 65 I N 4.151 124.798 120.570 0.129 0.000 2.354 65 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 65 I C -0.094 176.075 176.117 0.087 0.000 0.989 65 I CA -0.547 60.812 61.300 0.098 0.000 1.188 65 I CB 1.199 39.236 38.000 0.060 0.000 1.342 65 I HN 0.531 nan 8.210 nan 0.000 0.457 66 N N 5.063 123.813 118.700 0.085 0.000 2.722 66 N HA 0.244 4.984 4.740 -0.000 0.000 0.242 66 N C -1.371 174.170 175.510 0.052 0.000 1.398 66 N CA -0.253 52.839 53.050 0.070 0.000 0.755 66 N CB 1.050 39.590 38.487 0.088 0.000 1.268 66 N HN 0.683 nan 8.380 nan 0.000 0.522 67 S N 0.996 116.718 115.700 0.036 0.000 2.607 67 S HA 0.674 5.144 4.470 -0.000 0.000 0.273 67 S C -2.656 171.947 174.600 0.005 0.000 1.148 67 S CA -0.915 57.300 58.200 0.024 0.000 0.833 67 S CB 2.592 65.808 63.200 0.027 0.000 1.130 67 S HN 0.121 nan 8.310 nan 0.000 0.470 68 P HA 0.326 nan 4.420 nan 0.000 0.255 68 P C 0.962 178.234 177.300 -0.047 0.000 1.248 68 P CA 1.040 64.128 63.100 -0.021 0.000 0.807 68 P CB -0.071 31.631 31.700 0.003 0.000 1.150 69 G N -0.990 107.796 108.800 -0.024 0.000 2.416 69 G HA2 0.293 4.253 3.960 -0.000 0.000 0.203 69 G HA3 0.293 4.253 3.960 -0.000 0.000 0.203 69 G C -0.275 174.627 174.900 0.004 0.000 1.227 69 G CA -0.321 44.766 45.100 -0.021 0.000 1.041 69 G HN 0.592 nan 8.290 nan 0.000 0.546 70 G N -2.768 106.039 108.800 0.012 0.000 2.368 70 G HA2 0.539 4.499 3.960 -0.000 0.000 0.269 70 G HA3 0.539 4.499 3.960 -0.000 0.000 0.269 70 G C -0.321 174.588 174.900 0.015 0.000 1.291 70 G CA 0.598 45.709 45.100 0.017 0.000 0.903 70 G HN 1.903 nan 8.290 nan 0.000 0.483 71 V N 1.734 121.654 119.914 0.010 0.000 2.681 71 V HA 0.034 4.154 4.120 -0.000 0.000 0.306 71 V C 1.952 178.043 176.094 -0.004 0.000 1.077 71 V CA 0.995 63.296 62.300 0.003 0.000 1.224 71 V CB 0.342 32.167 31.823 0.004 0.000 0.879 71 V HN 0.581 nan 8.190 nan 0.000 0.494 72 I N 3.835 124.392 120.570 -0.021 0.000 2.163 72 I HA -0.174 3.996 4.170 -0.000 0.000 0.240 72 I C 2.590 178.688 176.117 -0.031 0.000 1.081 72 I CA 1.765 63.036 61.300 -0.048 0.000 1.353 72 I CB -0.655 37.299 38.000 -0.076 0.000 1.054 72 I HN 0.911 nan 8.210 nan 0.000 0.407 73 T N -2.175 112.369 114.554 -0.016 0.000 2.881 73 T HA -0.182 4.168 4.350 -0.000 0.000 0.270 73 T C 1.975 176.688 174.700 0.021 0.000 1.068 73 T CA 1.543 63.644 62.100 0.002 0.000 1.131 73 T CB -0.452 68.416 68.868 0.000 0.000 0.871 73 T HN 0.283 nan 8.240 nan 0.000 0.479 74 S N 1.235 116.946 115.700 0.017 0.000 2.355 74 S HA 0.067 4.537 4.470 -0.000 0.000 0.222 74 S C 2.422 177.055 174.600 0.054 0.000 1.031 74 S CA 1.406 59.624 58.200 0.029 0.000 0.993 74 S CB -1.193 62.020 63.200 0.021 0.000 0.859 74 S HN 0.720 nan 8.310 nan 0.000 0.453 75 G N 1.544 110.375 108.800 0.052 0.000 2.422 75 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.218 75 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.218 75 G C 1.403 176.402 174.900 0.166 0.000 1.146 75 G CA 0.765 45.921 45.100 0.095 0.000 0.769 75 G HN 0.524 nan 8.290 nan 0.000 0.547 76 L N 1.635 122.942 121.223 0.141 0.000 2.191 76 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 76 L C 3.188 180.201 176.870 0.239 0.000 1.103 76 L CA 1.357 56.347 54.840 0.251 0.000 0.769 76 L CB -0.338 41.821 42.059 0.167 0.000 0.908 76 L HN 0.457 nan 8.230 nan 0.000 0.438 77 S N -0.247 115.535 115.700 0.136 0.000 2.428 77 S HA -0.076 4.394 4.470 -0.000 0.000 0.230 77 S C 1.849 176.509 174.600 0.101 0.000 1.014 77 S CA 0.428 58.679 58.200 0.085 0.000 0.957 77 S CB -0.169 63.060 63.200 0.048 0.000 0.784 77 S HN 0.258 nan 8.310 nan 0.000 0.499 78 I N 0.644 121.300 120.570 0.144 0.000 2.406 78 I HA 0.042 4.212 4.170 -0.000 0.000 0.249 78 I C 2.311 178.540 176.117 0.187 0.000 1.122 78 I CA 0.753 62.140 61.300 0.144 0.000 1.431 78 I CB -1.748 36.339 38.000 0.144 0.000 1.087 78 I HN 0.360 nan 8.210 nan 0.000 0.424 79 Y N 2.654 123.015 120.300 0.102 0.000 2.092 79 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 79 Y C 2.277 178.227 175.900 0.083 0.000 1.126 79 Y CA 1.749 59.909 58.100 0.099 0.000 1.111 79 Y CB -0.592 37.972 38.460 0.172 0.000 0.987 79 Y HN 0.109 nan 8.280 nan 0.000 0.489 80 D N -0.384 119.890 120.400 -0.210 0.000 2.116 80 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 80 D C 2.175 178.400 176.300 -0.125 0.000 0.998 80 D CA 2.225 56.035 54.000 -0.318 0.000 0.836 80 D CB -0.638 40.074 40.800 -0.148 0.000 0.951 80 D HN 0.422 nan 8.370 nan 0.000 0.449 81 T N 0.541 115.086 114.554 -0.015 0.000 2.720 81 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 81 T C 2.048 176.821 174.700 0.122 0.000 1.037 81 T CA 1.016 63.179 62.100 0.105 0.000 1.144 81 T CB -0.228 68.703 68.868 0.104 0.000 0.864 81 T HN 0.167 nan 8.240 nan 0.000 0.444 82 M N 1.022 120.657 119.600 0.058 0.000 2.267 82 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 82 M C 1.624 177.933 176.300 0.015 0.000 1.063 82 M CA 1.172 56.503 55.300 0.051 0.000 1.090 82 M CB -0.171 32.472 32.600 0.072 0.000 1.392 82 M HN 0.152 nan 8.290 nan 0.000 0.422 83 N N -1.050 117.628 118.700 -0.036 0.000 2.368 83 N HA 0.007 4.747 4.740 -0.000 0.000 0.178 83 N C 1.324 176.864 175.510 0.050 0.000 1.076 83 N CA 0.469 53.496 53.050 -0.039 0.000 0.889 83 N CB -0.098 38.301 38.487 -0.146 0.000 1.040 83 N HN 0.220 nan 8.380 nan 0.000 0.463 84 F N 3.366 123.265 119.950 -0.085 0.000 2.075 84 F HA 0.021 4.548 4.527 -0.000 0.000 0.297 84 F C 1.194 176.973 175.800 -0.034 0.000 1.113 84 F CA 0.483 58.450 58.000 -0.055 0.000 1.218 84 F CB -0.527 38.447 39.000 -0.043 0.000 0.984 84 F HN -0.143 nan 8.300 nan 0.000 0.472 85 I N -0.766 119.755 120.570 -0.082 0.000 3.194 85 I HA 0.087 4.257 4.170 -0.000 0.000 0.283 85 I C 1.388 177.424 176.117 -0.134 0.000 1.199 85 I CA -0.440 60.747 61.300 -0.188 0.000 1.328 85 I CB 0.372 38.334 38.000 -0.064 0.000 1.404 85 I HN 0.041 nan 8.210 nan 0.000 0.618 86 R N 0.510 120.933 120.500 -0.128 0.000 2.189 86 R HA 0.243 4.583 4.340 -0.000 0.000 0.203 86 R C -1.667 174.602 176.300 -0.052 0.000 1.012 86 R CA -0.270 55.777 56.100 -0.088 0.000 1.015 86 R CB -1.156 29.088 30.300 -0.093 0.000 0.938 86 R HN 0.549 nan 8.270 nan 0.000 0.472 87 P HA -0.023 nan 4.420 nan 0.000 0.271 87 P C -0.948 176.349 177.300 -0.004 0.000 1.233 87 P CA 0.234 63.321 63.100 -0.021 0.000 0.789 87 P CB 0.446 32.136 31.700 -0.017 0.000 0.951 88 D N 0.290 120.695 120.400 0.008 0.000 2.316 88 D HA 0.184 4.824 4.640 -0.000 0.000 0.245 88 D C -0.674 175.647 176.300 0.036 0.000 1.171 88 D CA 0.071 54.083 54.000 0.020 0.000 0.856 88 D CB 0.237 41.052 40.800 0.025 0.000 1.090 88 D HN -0.114 nan 8.370 nan 0.000 0.476 89 V N 3.169 123.107 119.914 0.041 0.000 2.304 89 V HA 0.136 4.256 4.120 -0.000 0.000 0.262 89 V C 0.618 176.749 176.094 0.062 0.000 1.061 89 V CA -0.543 61.791 62.300 0.056 0.000 0.872 89 V CB 0.759 32.619 31.823 0.061 0.000 1.077 89 V HN 0.500 nan 8.190 nan 0.000 0.480 90 S N 4.634 120.379 115.700 0.076 0.000 2.564 90 S HA 0.393 4.863 4.470 -0.000 0.000 0.278 90 S C 0.411 175.056 174.600 0.075 0.000 1.333 90 S CA -0.181 58.082 58.200 0.105 0.000 1.048 90 S CB 0.725 64.011 63.200 0.144 0.000 0.900 90 S HN 0.930 nan 8.310 nan 0.000 0.505 91 T N 2.050 116.651 114.554 0.078 0.000 2.855 91 T HA 0.729 5.079 4.350 -0.000 0.000 0.281 91 T C -0.725 173.985 174.700 0.017 0.000 1.007 91 T CA -0.785 61.331 62.100 0.026 0.000 1.009 91 T CB 0.794 69.670 68.868 0.014 0.000 0.983 91 T HN 0.403 nan 8.240 nan 0.000 0.455 92 I N 2.197 122.697 120.570 -0.117 0.000 2.497 92 I HA 0.325 4.495 4.170 -0.000 0.000 0.284 92 I C 0.004 176.055 176.117 -0.109 0.000 1.060 92 I CA -0.716 60.473 61.300 -0.184 0.000 1.071 92 I CB 1.465 39.084 38.000 -0.635 0.000 1.216 92 I HN 0.967 nan 8.210 nan 0.000 0.442 93 C N 8.660 127.947 119.300 -0.021 0.000 2.415 93 C HA 0.783 5.243 4.460 -0.000 0.000 0.369 93 C C 0.286 175.299 174.990 0.039 0.000 1.279 93 C CA -0.489 58.538 59.018 0.014 0.000 1.886 93 C CB -1.205 26.540 27.740 0.009 0.000 2.468 93 C HN 0.718 nan 8.230 nan 0.000 0.553 94 I N 5.334 125.947 120.570 0.072 0.000 2.447 94 I HA 0.732 4.902 4.170 -0.000 0.000 0.287 94 I C 0.563 176.730 176.117 0.083 0.000 1.023 94 I CA 0.223 61.580 61.300 0.095 0.000 1.083 94 I CB 1.365 39.456 38.000 0.151 0.000 1.245 94 I HN 0.969 nan 8.210 nan 0.000 0.434 95 G N 5.415 114.260 108.800 0.075 0.000 5.045 95 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.229 95 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.229 95 G C -0.022 174.911 174.900 0.056 0.000 1.440 95 G CA 0.630 45.769 45.100 0.064 0.000 0.936 95 G HN 1.226 nan 8.290 nan 0.000 0.690 96 Q N -1.449 118.380 119.800 0.047 0.000 2.617 96 Q HA 0.702 5.042 4.340 -0.000 0.000 0.270 96 Q C -1.006 175.003 176.000 0.015 0.000 0.967 96 Q CA -0.245 55.577 55.803 0.031 0.000 0.887 96 Q CB 1.398 30.160 28.738 0.040 0.000 1.516 96 Q HN 1.953 nan 8.270 nan 0.000 0.395 97 A N 1.092 123.904 122.820 -0.013 0.000 2.545 97 A HA 0.853 5.173 4.320 -0.000 0.000 0.300 97 A C -0.929 176.610 177.584 -0.076 0.000 1.252 97 A CA 0.034 52.055 52.037 -0.026 0.000 0.753 97 A CB 0.773 19.760 19.000 -0.022 0.000 1.144 97 A HN 0.964 nan 8.150 nan 0.000 0.457 98 A N 1.854 124.619 122.820 -0.092 0.000 2.350 98 A HA 0.889 5.209 4.320 -0.000 0.000 0.324 98 A C 0.802 178.250 177.584 -0.227 0.000 1.118 98 A CA 0.325 52.252 52.037 -0.184 0.000 0.783 98 A CB 0.425 19.327 19.000 -0.163 0.000 1.236 98 A HN 2.001 nan 8.150 nan 0.000 0.457 99 S N 0.075 115.543 115.700 -0.387 0.000 3.938 99 S HA -0.339 4.131 4.470 -0.000 0.000 0.624 99 S C 1.433 175.930 174.600 -0.171 0.000 2.186 99 S CA 1.623 59.501 58.200 -0.537 0.000 4.144 99 S CB -1.262 61.517 63.200 -0.700 0.000 0.230 99 S HN 1.873 nan 8.310 nan 0.000 0.755 100 M N 2.756 122.303 119.600 -0.088 0.000 2.255 100 M HA -0.063 4.417 4.480 -0.000 0.000 0.259 100 M C 1.811 178.158 176.300 0.079 0.000 1.071 100 M CA 2.624 57.933 55.300 0.015 0.000 1.074 100 M CB -1.310 31.293 32.600 0.005 0.000 1.384 100 M HN 0.650 nan 8.290 nan 0.000 0.415 101 G N -1.174 107.635 108.800 0.015 0.000 2.402 101 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.216 101 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.216 101 G C 1.540 176.455 174.900 0.025 0.000 1.162 101 G CA 0.831 45.947 45.100 0.026 0.000 0.777 101 G HN 0.675 nan 8.290 nan 0.000 0.539 102 A N 0.310 123.125 122.820 -0.008 0.000 1.930 102 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 102 A C 2.101 179.708 177.584 0.040 0.000 1.175 102 A CA 1.406 53.432 52.037 -0.019 0.000 0.627 102 A CB -0.511 18.441 19.000 -0.079 0.000 0.815 102 A HN 0.344 nan 8.150 nan 0.000 0.443 103 F N 0.779 120.683 119.950 -0.077 0.000 2.010 103 F HA -0.196 4.331 4.527 -0.000 0.000 0.296 103 F C 2.008 177.762 175.800 -0.077 0.000 1.146 103 F CA 2.016 59.966 58.000 -0.082 0.000 1.181 103 F CB -0.571 38.373 39.000 -0.094 0.000 0.965 103 F HN 0.141 nan 8.300 nan 0.000 0.480 104 L N -0.236 121.037 121.223 0.083 0.000 2.081 104 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 104 L C 2.457 179.302 176.870 -0.041 0.000 1.080 104 L CA 1.167 56.010 54.840 0.005 0.000 0.754 104 L CB -0.912 41.218 42.059 0.118 0.000 0.893 104 L HN 0.350 nan 8.230 nan 0.000 0.433 105 L N 0.229 121.436 121.223 -0.026 0.000 1.989 105 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 105 L C 2.812 179.640 176.870 -0.071 0.000 1.071 105 L CA 2.345 57.166 54.840 -0.032 0.000 0.749 105 L CB -0.729 41.314 42.059 -0.026 0.000 0.890 105 L HN 0.365 nan 8.230 nan 0.000 0.431 106 S N -2.185 113.449 115.700 -0.111 0.000 2.469 106 S HA -0.177 4.293 4.470 -0.000 0.000 0.238 106 S C 1.838 176.333 174.600 -0.173 0.000 0.998 106 S CA 0.995 59.115 58.200 -0.133 0.000 0.957 106 S CB -1.493 61.628 63.200 -0.132 0.000 0.764 106 S HN 0.562 nan 8.310 nan 0.000 0.514 107 C N 1.953 121.124 119.300 -0.215 0.000 2.626 107 C HA 0.422 4.882 4.460 -0.000 0.000 0.266 107 C C 1.780 176.765 174.990 -0.009 0.000 1.317 107 C CA -0.730 58.200 59.018 -0.147 0.000 1.716 107 C CB -1.878 25.750 27.740 -0.187 0.000 1.819 107 C HN 0.732 nan 8.230 nan 0.000 0.578 108 G N 0.407 109.193 108.800 -0.023 0.000 2.636 108 G HA2 0.437 4.397 3.960 -0.000 0.000 0.246 108 G HA3 0.437 4.397 3.960 -0.000 0.000 0.246 108 G C 0.166 175.064 174.900 -0.003 0.000 1.216 108 G CA 0.150 45.254 45.100 0.006 0.000 0.854 108 G HN 0.619 nan 8.290 nan 0.000 0.572 109 A N 0.704 123.531 122.820 0.012 0.000 2.566 109 A HA 0.259 4.579 4.320 -0.000 0.000 0.245 109 A C 1.005 178.577 177.584 -0.020 0.000 1.056 109 A CA 0.136 52.176 52.037 0.005 0.000 0.757 109 A CB -0.059 18.953 19.000 0.020 0.000 0.979 109 A HN 0.830 nan 8.150 nan 0.000 0.508 110 K N 2.242 122.626 120.400 -0.026 0.000 2.510 110 K HA 0.067 4.387 4.320 -0.000 0.000 0.272 110 K C 1.248 177.812 176.600 -0.060 0.000 1.025 110 K CA 1.325 57.585 56.287 -0.045 0.000 1.134 110 K CB -0.319 32.163 32.500 -0.030 0.000 0.827 110 K HN 1.898 nan 8.250 nan 0.000 0.485 111 G N 3.588 112.325 108.800 -0.104 0.000 2.155 111 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 111 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 111 G C 0.227 175.006 174.900 -0.201 0.000 0.983 111 G CA 0.874 45.892 45.100 -0.137 0.000 0.676 111 G HN 0.715 nan 8.290 nan 0.000 0.528 112 K N -0.490 119.789 120.400 -0.202 0.000 2.706 112 K HA 0.180 4.500 4.320 -0.000 0.000 0.203 112 K C 0.493 176.961 176.600 -0.221 0.000 1.102 112 K CA -0.436 55.769 56.287 -0.136 0.000 1.058 112 K CB 0.780 33.361 32.500 0.135 0.000 0.779 112 K HN 0.256 nan 8.250 nan 0.000 0.483 113 R N 0.999 121.222 120.500 -0.462 0.000 2.233 113 R HA 0.320 4.660 4.340 -0.000 0.000 0.334 113 R C -0.716 175.320 176.300 -0.441 0.000 1.037 113 R CA -0.278 55.657 56.100 -0.274 0.000 0.920 113 R CB 0.301 30.491 30.300 -0.184 0.000 1.137 113 R HN -0.086 nan 8.270 nan 0.000 0.492 114 F N 0.047 119.952 119.950 -0.076 0.000 2.535 114 F HA 0.625 5.152 4.527 0.000 0.000 0.367 114 F C 0.751 176.505 175.800 -0.076 0.000 1.096 114 F CA -0.995 56.961 58.000 -0.073 0.000 1.088 114 F CB 1.512 40.461 39.000 -0.084 0.000 1.387 114 F HN 0.263 nan 8.300 nan 0.000 0.494 115 S N -0.032 115.763 115.700 0.159 0.000 2.578 115 S HA 0.492 4.962 4.470 -0.000 0.000 0.285 115 S C -1.300 173.338 174.600 0.063 0.000 1.126 115 S CA -0.789 57.452 58.200 0.067 0.000 0.878 115 S CB 0.482 63.697 63.200 0.024 0.000 1.091 115 S HN 0.596 nan 8.310 nan 0.000 0.450 116 L N 4.859 126.115 121.223 0.055 0.000 2.476 116 L HA 0.322 4.662 4.340 -0.000 0.000 0.264 116 L C -0.868 176.020 176.870 0.031 0.000 1.224 116 L CA -1.600 53.276 54.840 0.060 0.000 0.821 116 L CB 0.492 42.603 42.059 0.088 0.000 1.101 116 L HN 0.619 nan 8.230 nan 0.000 0.488 117 P HA -0.201 nan 4.420 nan 0.000 0.215 117 P C 0.613 177.765 177.300 -0.247 0.000 1.157 117 P CA 1.793 64.799 63.100 -0.157 0.000 0.874 117 P CB -0.069 31.481 31.700 -0.249 0.000 0.790 118 H N -1.212 117.869 119.070 0.018 0.000 2.538 118 H HA 0.285 4.841 4.556 -0.000 0.000 0.286 118 H C 0.700 176.037 175.328 0.015 0.000 1.035 118 H CA -0.238 55.819 56.048 0.014 0.000 1.169 118 H CB -0.461 29.309 29.762 0.014 0.000 1.417 118 H HN 0.076 nan 8.280 nan 0.000 0.567 119 S N 1.274 117.028 115.700 0.090 0.000 2.614 119 S HA 0.344 4.814 4.470 -0.000 0.000 0.265 119 S C 0.548 175.171 174.600 0.039 0.000 1.303 119 S CA -0.837 57.402 58.200 0.065 0.000 1.000 119 S CB 0.918 64.147 63.200 0.048 0.000 0.935 119 S HN 0.614 nan 8.310 nan 0.000 0.551 120 R N 0.257 120.778 120.500 0.035 0.000 2.628 120 R HA 0.637 4.977 4.340 -0.000 0.000 0.288 120 R C -1.488 174.804 176.300 -0.014 0.000 0.980 120 R CA -0.720 55.396 56.100 0.026 0.000 0.891 120 R CB 0.723 31.073 30.300 0.083 0.000 1.188 120 R HN 0.403 nan 8.270 nan 0.000 0.450 121 I N 4.034 124.558 120.570 -0.076 0.000 2.474 121 I HA 0.481 4.651 4.170 -0.000 0.000 0.294 121 I C -0.299 175.648 176.117 -0.282 0.000 1.005 121 I CA -0.935 60.273 61.300 -0.153 0.000 1.113 121 I CB 1.629 39.531 38.000 -0.165 0.000 1.289 121 I HN 0.770 nan 8.210 nan 0.000 0.436 122 M N 8.191 127.583 119.600 -0.346 0.000 2.271 122 M HA 0.510 4.990 4.480 -0.000 0.000 0.285 122 M C -1.692 174.376 176.300 -0.386 0.000 1.059 122 M CA -0.518 54.461 55.300 -0.536 0.000 0.940 122 M CB 2.550 34.577 32.600 -0.956 0.000 1.636 122 M HN 0.631 nan 8.290 nan 0.000 0.460 123 I N 2.762 123.163 120.570 -0.281 0.000 2.493 123 I HA 0.743 4.913 4.170 -0.000 0.000 0.298 123 I C -0.771 175.368 176.117 0.037 0.000 0.998 123 I CA -0.461 60.778 61.300 -0.102 0.000 1.137 123 I CB 2.024 40.024 38.000 0.000 0.000 1.310 123 I HN 0.931 nan 8.210 nan 0.000 0.445 124 H N 2.761 121.811 119.070 -0.033 0.000 3.015 124 H HA 0.539 5.095 4.556 -0.000 0.000 0.282 124 H C -1.644 173.670 175.328 -0.024 0.000 1.508 124 H CA -1.239 54.794 56.048 -0.024 0.000 1.209 124 H CB 1.282 31.014 29.762 -0.049 0.000 1.869 124 H HN 0.746 nan 8.280 nan 0.000 0.591 125 Q N 0.727 120.440 119.800 -0.145 0.000 2.226 125 Q HA 0.501 4.841 4.340 -0.000 0.000 0.256 125 Q C -2.713 172.964 176.000 -0.538 0.000 0.962 125 Q CA -2.241 53.426 55.803 -0.227 0.000 0.887 125 Q CB 1.963 30.621 28.738 -0.134 0.000 1.282 125 Q HN 0.370 nan 8.270 nan 0.000 0.449 126 P HA -0.015 nan 4.420 nan 0.000 0.268 126 P C -0.944 176.197 177.300 -0.264 0.000 1.208 126 P CA 0.167 63.087 63.100 -0.300 0.000 0.777 126 P CB 0.700 32.302 31.700 -0.163 0.000 0.875 127 L N 1.033 122.136 121.223 -0.200 0.000 2.319 127 L HA 0.847 5.187 4.340 -0.000 0.000 0.267 127 L C 1.018 177.846 176.870 -0.070 0.000 1.011 127 L CA -0.199 54.569 54.840 -0.120 0.000 0.818 127 L CB 2.087 44.097 42.059 -0.081 0.000 1.316 127 L HN 0.661 nan 8.230 nan 0.000 0.432 128 G N -0.167 108.603 108.800 -0.051 0.000 2.510 128 G HA2 0.670 4.630 3.960 -0.000 0.000 0.277 128 G HA3 0.670 4.630 3.960 -0.000 0.000 0.277 128 G C -1.292 173.592 174.900 -0.026 0.000 1.223 128 G CA 0.048 45.127 45.100 -0.035 0.000 0.887 128 G HN 0.938 nan 8.290 nan 0.000 0.485 129 G N -1.777 107.009 108.800 -0.022 0.000 2.519 129 G HA2 0.810 4.770 3.960 -0.000 0.000 0.292 129 G HA3 0.810 4.770 3.960 -0.000 0.000 0.292 129 G C -1.257 173.634 174.900 -0.015 0.000 1.507 129 G CA 0.566 45.656 45.100 -0.017 0.000 0.806 129 G HN 2.017 nan 8.290 nan 0.000 0.523 130 A N 0.159 122.972 122.820 -0.013 0.000 2.572 130 A HA 0.924 5.244 4.320 -0.000 0.000 0.295 130 A C -0.856 176.723 177.584 -0.009 0.000 1.072 130 A CA -0.572 51.458 52.037 -0.011 0.000 0.691 130 A CB 1.995 20.988 19.000 -0.012 0.000 1.291 130 A HN 0.714 nan 8.150 nan 0.000 0.404 131 Q N 0.039 119.835 119.800 -0.008 0.000 2.345 131 Q HA 0.642 4.982 4.340 -0.000 0.000 0.275 131 Q C -0.049 175.947 176.000 -0.006 0.000 1.063 131 Q CA -0.216 55.583 55.803 -0.006 0.000 0.819 131 Q CB 2.669 31.403 28.738 -0.005 0.000 1.356 131 Q HN 2.159 nan 8.270 nan 0.000 0.418 132 G N 1.073 109.870 108.800 -0.005 0.000 2.306 132 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.262 132 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.262 132 G C -1.216 173.682 174.900 -0.005 0.000 1.263 132 G CA -1.011 44.086 45.100 -0.005 0.000 1.088 132 G HN 0.478 nan 8.290 nan 0.000 0.489 133 Q N 0.080 119.877 119.800 -0.004 0.000 2.432 133 Q HA 0.447 4.787 4.340 -0.000 0.000 0.264 133 Q C 1.813 177.810 176.000 -0.005 0.000 1.035 133 Q CA 0.240 56.040 55.803 -0.004 0.000 0.908 133 Q CB 1.127 29.863 28.738 -0.004 0.000 1.280 133 Q HN 1.201 nan 8.270 nan 0.000 0.455 134 A N 1.928 124.745 122.820 -0.005 0.000 1.917 134 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 134 A C 2.130 179.711 177.584 -0.005 0.000 1.182 134 A CA 2.218 54.252 52.037 -0.005 0.000 0.633 134 A CB -0.523 18.474 19.000 -0.005 0.000 0.819 134 A HN 0.728 nan 8.150 nan 0.000 0.448 135 S N -0.093 115.604 115.700 -0.005 0.000 2.399 135 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 135 S C 1.420 176.017 174.600 -0.006 0.000 1.022 135 S CA 1.388 59.585 58.200 -0.005 0.000 0.983 135 S CB -0.325 62.872 63.200 -0.004 0.000 0.803 135 S HN 0.656 nan 8.310 nan 0.000 0.480 136 D N 0.960 121.357 120.400 -0.006 0.000 2.216 136 D HA 0.136 4.776 4.640 -0.000 0.000 0.208 136 D C 1.831 178.126 176.300 -0.008 0.000 0.960 136 D CA 0.507 54.503 54.000 -0.006 0.000 0.861 136 D CB -0.169 40.628 40.800 -0.006 0.000 0.985 136 D HN 0.359 nan 8.370 nan 0.000 0.493 137 I N 1.410 121.976 120.570 -0.008 0.000 2.286 137 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 137 I C 2.545 178.656 176.117 -0.010 0.000 1.115 137 I CA 1.025 62.319 61.300 -0.009 0.000 1.392 137 I CB -0.137 37.857 38.000 -0.009 0.000 1.065 137 I HN -0.008 nan 8.210 nan 0.000 0.418 138 E N 1.788 121.983 120.200 -0.009 0.000 2.072 138 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 138 E C 2.338 178.932 176.600 -0.010 0.000 0.985 138 E CA 1.245 57.639 56.400 -0.009 0.000 0.801 138 E CB -0.033 29.663 29.700 -0.008 0.000 0.750 138 E HN 0.447 nan 8.360 nan 0.000 0.452 139 I N 0.944 121.509 120.570 -0.009 0.000 2.264 139 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 139 I C 2.319 178.429 176.117 -0.011 0.000 1.111 139 I CA 1.053 62.347 61.300 -0.009 0.000 1.382 139 I CB -0.199 37.796 38.000 -0.008 0.000 1.060 139 I HN 0.254 nan 8.210 nan 0.000 0.418 140 I N -0.566 119.996 120.570 -0.012 0.000 2.406 140 I HA -0.228 3.942 4.170 -0.000 0.000 0.249 140 I C 2.730 178.836 176.117 -0.018 0.000 1.122 140 I CA 0.946 62.237 61.300 -0.015 0.000 1.431 140 I CB -0.321 37.670 38.000 -0.015 0.000 1.087 140 I HN 0.165 nan 8.210 nan 0.000 0.424 141 S N 1.304 116.994 115.700 -0.017 0.000 2.356 141 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 141 S C 1.860 176.448 174.600 -0.020 0.000 1.032 141 S CA 1.759 59.947 58.200 -0.019 0.000 1.005 141 S CB -0.240 62.950 63.200 -0.017 0.000 0.867 141 S HN 0.399 nan 8.310 nan 0.000 0.449 142 N N 1.123 119.813 118.700 -0.016 0.000 2.244 142 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 142 N C 1.701 177.202 175.510 -0.016 0.000 1.016 142 N CA 1.170 54.211 53.050 -0.014 0.000 0.866 142 N CB -0.593 37.888 38.487 -0.011 0.000 0.980 142 N HN 0.502 nan 8.380 nan 0.000 0.430 143 E N 1.144 121.334 120.200 -0.017 0.000 2.106 143 E HA -0.007 4.343 4.350 -0.000 0.000 0.192 143 E C 1.842 178.427 176.600 -0.025 0.000 0.984 143 E CA 0.568 56.958 56.400 -0.018 0.000 0.806 143 E CB -0.269 29.421 29.700 -0.016 0.000 0.750 143 E HN 0.406 nan 8.360 nan 0.000 0.458 144 I N -0.467 120.085 120.570 -0.030 0.000 2.406 144 I HA -0.124 4.046 4.170 -0.000 0.000 0.249 144 I C 1.856 177.947 176.117 -0.043 0.000 1.122 144 I CA 0.512 61.787 61.300 -0.041 0.000 1.431 144 I CB 0.088 38.061 38.000 -0.046 0.000 1.087 144 I HN 0.152 nan 8.210 nan 0.000 0.424 145 L N 0.410 121.612 121.223 -0.034 0.000 2.131 145 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 145 L C 2.664 179.518 176.870 -0.027 0.000 1.092 145 L CA 1.128 55.949 54.840 -0.031 0.000 0.759 145 L CB -0.486 41.559 42.059 -0.023 0.000 0.903 145 L HN 0.201 nan 8.230 nan 0.000 0.435 146 R N 0.188 120.674 120.500 -0.023 0.000 2.070 146 R HA -0.151 4.189 4.340 -0.000 0.000 0.233 146 R C 2.223 178.509 176.300 -0.024 0.000 1.137 146 R CA 1.534 57.624 56.100 -0.017 0.000 0.945 146 R CB -0.310 29.982 30.300 -0.013 0.000 0.845 146 R HN 0.241 nan 8.270 nan 0.000 0.430 147 L N 0.382 121.582 121.223 -0.038 0.000 2.141 147 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 147 L C 2.509 179.334 176.870 -0.075 0.000 1.094 147 L CA 1.288 56.093 54.840 -0.059 0.000 0.763 147 L CB -0.462 41.553 42.059 -0.073 0.000 0.908 147 L HN 0.211 nan 8.230 nan 0.000 0.437 148 K N 0.653 121.014 120.400 -0.066 0.000 2.097 148 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 148 K C 2.054 178.633 176.600 -0.035 0.000 1.049 148 K CA 1.375 57.623 56.287 -0.064 0.000 0.933 148 K CB -0.209 32.256 32.500 -0.058 0.000 0.717 148 K HN 0.299 nan 8.250 nan 0.000 0.442 149 G N 1.983 110.770 108.800 -0.022 0.000 2.404 149 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.214 149 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.214 149 G C 1.473 176.380 174.900 0.010 0.000 1.189 149 G CA 0.636 45.734 45.100 -0.003 0.000 0.789 149 G HN 0.318 nan 8.290 nan 0.000 0.533 150 L N 0.099 121.325 121.223 0.005 0.000 1.956 150 L HA -0.151 4.189 4.340 -0.000 0.000 0.216 150 L C 2.954 179.853 176.870 0.048 0.000 1.073 150 L CA 2.079 56.935 54.840 0.028 0.000 0.762 150 L CB -0.214 41.856 42.059 0.018 0.000 0.889 150 L HN 0.237 nan 8.230 nan 0.000 0.433 151 M N -0.334 119.258 119.600 -0.014 0.000 2.267 151 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 151 M C 1.709 178.093 176.300 0.141 0.000 1.063 151 M CA 1.310 56.611 55.300 0.002 0.000 1.090 151 M CB -0.589 31.785 32.600 -0.377 0.000 1.392 151 M HN 0.389 nan 8.290 nan 0.000 0.422 152 N N 0.130 118.873 118.700 0.073 0.000 2.331 152 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 152 N C 1.943 177.509 175.510 0.093 0.000 1.019 152 N CA 1.674 54.779 53.050 0.090 0.000 0.881 152 N CB -0.195 38.325 38.487 0.054 0.000 0.972 152 N HN 0.412 nan 8.380 nan 0.000 0.435 153 S N 0.683 116.432 115.700 0.081 0.000 2.357 153 S HA 0.023 4.493 4.470 -0.000 0.000 0.221 153 S C 2.075 176.722 174.600 0.078 0.000 1.031 153 S CA 0.499 58.740 58.200 0.068 0.000 0.982 153 S CB -0.550 62.686 63.200 0.060 0.000 0.853 153 S HN 0.212 nan 8.310 nan 0.000 0.458 154 I N 0.985 121.623 120.570 0.113 0.000 2.315 154 I HA -0.079 4.091 4.170 -0.000 0.000 0.248 154 I C 2.487 178.623 176.117 0.032 0.000 1.117 154 I CA 0.848 62.196 61.300 0.080 0.000 1.404 154 I CB -0.418 37.641 38.000 0.098 0.000 1.071 154 I HN 0.283 nan 8.210 nan 0.000 0.419 155 L N 1.084 122.382 121.223 0.124 0.000 2.201 155 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 155 L C 2.464 179.376 176.870 0.070 0.000 1.105 155 L CA 1.778 56.682 54.840 0.106 0.000 0.775 155 L CB -0.632 41.558 42.059 0.217 0.000 0.913 155 L HN 0.174 nan 8.230 nan 0.000 0.440 156 A N -1.235 121.621 122.820 0.060 0.000 1.874 156 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 156 A C 2.068 179.653 177.584 0.001 0.000 1.189 156 A CA 1.279 53.334 52.037 0.030 0.000 0.615 156 A CB -0.408 18.609 19.000 0.029 0.000 0.830 156 A HN 0.577 nan 8.150 nan 0.000 0.443 157 Q N -0.030 119.773 119.800 0.006 0.000 1.927 157 Q HA -0.245 4.095 4.340 -0.000 0.000 0.210 157 Q C 1.846 177.832 176.000 -0.023 0.000 1.001 157 Q CA 1.631 57.431 55.803 -0.005 0.000 0.862 157 Q CB -0.524 28.219 28.738 0.009 0.000 0.934 157 Q HN 0.623 nan 8.270 nan 0.000 0.420 158 N N 0.369 119.049 118.700 -0.034 0.000 2.187 158 N HA -0.200 4.540 4.740 -0.000 0.000 0.194 158 N C 1.703 177.183 175.510 -0.049 0.000 1.002 158 N CA 1.986 55.003 53.050 -0.054 0.000 0.882 158 N CB -0.283 38.142 38.487 -0.103 0.000 1.003 158 N HN 0.392 nan 8.380 nan 0.000 0.443 159 S N -3.797 111.879 115.700 -0.040 0.000 2.506 159 S HA 0.428 4.898 4.470 -0.000 0.000 0.219 159 S C 1.572 176.117 174.600 -0.093 0.000 1.031 159 S CA 0.468 58.636 58.200 -0.054 0.000 0.911 159 S CB 0.945 64.127 63.200 -0.030 0.000 0.812 159 S HN 0.443 nan 8.310 nan 0.000 0.497 160 G N 0.713 109.464 108.800 -0.081 0.000 2.259 160 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 160 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 160 G C 0.106 174.944 174.900 -0.103 0.000 1.001 160 G CA -0.096 44.953 45.100 -0.085 0.000 0.627 160 G HN 0.443 nan 8.290 nan 0.000 0.501 161 Q N 1.275 120.986 119.800 -0.148 0.000 2.651 161 Q HA 0.502 4.842 4.340 -0.000 0.000 0.224 161 Q C 0.925 176.884 176.000 -0.068 0.000 1.094 161 Q CA 0.830 56.542 55.803 -0.151 0.000 1.018 161 Q CB 0.865 29.473 28.738 -0.216 0.000 1.292 161 Q HN 0.886 nan 8.270 nan 0.000 0.588 162 S N -0.750 114.922 115.700 -0.047 0.000 2.651 162 S HA 0.332 4.802 4.470 -0.000 0.000 0.291 162 S C 1.141 175.742 174.600 0.002 0.000 1.141 162 S CA -0.891 57.298 58.200 -0.019 0.000 1.027 162 S CB 0.964 64.153 63.200 -0.018 0.000 1.043 162 S HN 0.683 nan 8.310 nan 0.000 0.530 163 L N 0.655 121.884 121.223 0.010 0.000 2.021 163 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 163 L C 2.295 179.178 176.870 0.021 0.000 1.074 163 L CA 2.116 56.969 54.840 0.022 0.000 0.760 163 L CB -0.595 41.475 42.059 0.019 0.000 0.889 163 L HN 0.807 nan 8.230 nan 0.000 0.433 164 E N -0.446 119.761 120.200 0.011 0.000 2.118 164 E HA -0.309 4.041 4.350 -0.000 0.000 0.195 164 E C 2.009 178.615 176.600 0.011 0.000 0.992 164 E CA 1.423 57.827 56.400 0.007 0.000 0.804 164 E CB -0.250 29.450 29.700 0.000 0.000 0.741 164 E HN 0.458 nan 8.360 nan 0.000 0.458 165 Q N -0.354 119.453 119.800 0.012 0.000 2.435 165 Q HA 0.016 4.356 4.340 -0.000 0.000 0.207 165 Q C 1.373 177.418 176.000 0.074 0.000 0.956 165 Q CA 0.689 56.505 55.803 0.022 0.000 0.917 165 Q CB 0.175 28.909 28.738 -0.006 0.000 0.997 165 Q HN 0.202 nan 8.270 nan 0.000 0.497 166 I N -0.496 120.122 120.570 0.079 0.000 2.628 166 I HA 0.083 4.253 4.170 -0.000 0.000 0.255 166 I C 1.930 178.100 176.117 0.087 0.000 1.119 166 I CA 1.015 62.393 61.300 0.130 0.000 1.448 166 I CB -1.474 36.600 38.000 0.122 0.000 1.133 166 I HN 0.229 nan 8.210 nan 0.000 0.438 167 A N 1.093 123.943 122.820 0.050 0.000 1.940 167 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 167 A C 2.317 179.908 177.584 0.013 0.000 1.176 167 A CA 1.648 53.702 52.037 0.027 0.000 0.631 167 A CB -0.436 18.573 19.000 0.015 0.000 0.814 167 A HN 0.363 nan 8.150 nan 0.000 0.446 168 K N -0.438 119.966 120.400 0.006 0.000 2.001 168 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 168 K C 1.504 178.072 176.600 -0.055 0.000 1.048 168 K CA 1.459 57.733 56.287 -0.021 0.000 0.932 168 K CB -0.268 32.217 32.500 -0.025 0.000 0.715 168 K HN 0.363 nan 8.250 nan 0.000 0.437 169 D N 0.134 120.496 120.400 -0.063 0.000 2.178 169 D HA -0.109 4.531 4.640 -0.000 0.000 0.202 169 D C 1.912 178.167 176.300 -0.074 0.000 0.974 169 D CA 1.570 55.447 54.000 -0.204 0.000 0.841 169 D CB -0.431 40.213 40.800 -0.260 0.000 0.953 169 D HN 0.348 nan 8.370 nan 0.000 0.478 170 T N -1.890 112.690 114.554 0.043 0.000 3.088 170 T HA -0.074 4.276 4.350 -0.000 0.000 0.259 170 T C 1.489 176.218 174.700 0.049 0.000 1.122 170 T CA 0.584 62.737 62.100 0.088 0.000 1.095 170 T CB 0.067 68.998 68.868 0.106 0.000 0.930 170 T HN -0.162 nan 8.240 nan 0.000 0.508 171 D N 1.811 122.218 120.400 0.011 0.000 2.157 171 D HA -0.116 4.524 4.640 -0.000 0.000 0.191 171 D C 1.090 177.394 176.300 0.007 0.000 1.004 171 D CA 1.374 55.373 54.000 -0.003 0.000 0.854 171 D CB 0.128 40.920 40.800 -0.014 0.000 0.936 171 D HN 0.473 nan 8.370 nan 0.000 0.446 172 R N -0.335 120.181 120.500 0.027 0.000 2.892 172 R HA 0.268 4.608 4.340 -0.000 0.000 0.265 172 R C -0.980 175.381 176.300 0.101 0.000 1.025 172 R CA -0.906 55.227 56.100 0.054 0.000 0.982 172 R CB 1.170 31.499 30.300 0.049 0.000 1.185 172 R HN -0.007 nan 8.270 nan 0.000 0.484 173 D N 1.621 122.096 120.400 0.125 0.000 2.531 173 D HA -0.088 4.552 4.640 -0.000 0.000 0.239 173 D C -0.757 175.646 176.300 0.172 0.000 1.144 173 D CA 1.010 55.072 54.000 0.104 0.000 0.869 173 D CB 0.247 41.112 40.800 0.109 0.000 1.160 173 D HN 0.150 nan 8.370 nan 0.000 0.484 174 F N 4.617 124.485 119.950 -0.137 0.000 2.359 174 F HA 0.264 4.791 4.527 0.000 0.000 0.369 174 F C -1.296 174.383 175.800 -0.201 0.000 1.084 174 F CA -1.204 56.731 58.000 -0.109 0.000 1.096 174 F CB -0.189 38.731 39.000 -0.134 0.000 1.335 174 F HN 0.142 nan 8.300 nan 0.000 0.457 175 Y N 5.912 126.144 120.300 -0.113 0.000 2.326 175 Y HA 0.655 5.205 4.550 -0.000 0.000 0.324 175 Y C 0.534 176.165 175.900 -0.448 0.000 1.291 175 Y CA -0.309 57.637 58.100 -0.256 0.000 1.348 175 Y CB 1.225 39.628 38.460 -0.095 0.000 1.294 175 Y HN 0.604 nan 8.280 nan 0.000 0.525 176 M N -0.600 118.885 119.600 -0.190 0.000 2.660 176 M HA 0.428 4.908 4.480 -0.000 0.000 0.281 176 M C -1.062 175.170 176.300 -0.113 0.000 1.131 176 M CA -0.973 54.194 55.300 -0.221 0.000 0.858 176 M CB 1.467 33.779 32.600 -0.480 0.000 1.732 176 M HN 0.522 nan 8.290 nan 0.000 0.516 177 S N 1.600 117.259 115.700 -0.068 0.000 2.626 177 S HA 0.673 5.143 4.470 -0.000 0.000 0.257 177 S C 1.117 175.685 174.600 -0.053 0.000 1.288 177 S CA 0.002 58.177 58.200 -0.042 0.000 0.980 177 S CB 1.002 64.184 63.200 -0.029 0.000 0.975 177 S HN 1.128 nan 8.310 nan 0.000 0.577 178 A N 1.177 123.970 122.820 -0.045 0.000 1.855 178 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 178 A C 2.202 179.765 177.584 -0.035 0.000 1.191 178 A CA 1.493 53.506 52.037 -0.040 0.000 0.613 178 A CB -1.010 17.965 19.000 -0.042 0.000 0.829 178 A HN 0.886 nan 8.150 nan 0.000 0.442 179 K N -0.173 120.207 120.400 -0.034 0.000 2.001 179 K HA -0.223 4.097 4.320 -0.000 0.000 0.214 179 K C 1.964 178.562 176.600 -0.003 0.000 1.050 179 K CA 1.865 58.141 56.287 -0.019 0.000 0.934 179 K CB -0.369 32.121 32.500 -0.017 0.000 0.718 179 K HN 0.625 nan 8.250 nan 0.000 0.443 180 E N 0.622 120.820 120.200 -0.004 0.000 2.097 180 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 180 E C 2.082 178.698 176.600 0.027 0.000 1.000 180 E CA 1.292 57.701 56.400 0.016 0.000 0.804 180 E CB -0.227 29.464 29.700 -0.015 0.000 0.740 180 E HN 0.387 nan 8.360 nan 0.000 0.454 181 A N 1.516 124.320 122.820 -0.026 0.000 1.940 181 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 181 A C 2.058 179.665 177.584 0.040 0.000 1.176 181 A CA 1.756 53.782 52.037 -0.018 0.000 0.631 181 A CB -0.399 18.564 19.000 -0.061 0.000 0.814 181 A HN 0.106 nan 8.150 nan 0.000 0.446 182 K N -0.062 120.344 120.400 0.011 0.000 1.973 182 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 182 K C 1.921 178.536 176.600 0.026 0.000 1.047 182 K CA 1.674 57.960 56.287 -0.002 0.000 0.937 182 K CB -0.296 32.193 32.500 -0.018 0.000 0.721 182 K HN 0.611 nan 8.250 nan 0.000 0.440 183 E N -0.270 119.956 120.200 0.043 0.000 2.068 183 E HA -0.293 4.057 4.350 -0.000 0.000 0.207 183 E C 2.040 178.688 176.600 0.080 0.000 1.032 183 E CA 2.042 58.476 56.400 0.056 0.000 0.839 183 E CB -0.513 29.236 29.700 0.081 0.000 0.758 183 E HN 0.384 nan 8.360 nan 0.000 0.457 184 Y N 0.131 120.436 120.300 0.009 0.000 2.298 184 Y HA -0.219 4.331 4.550 -0.000 0.000 0.287 184 Y C 1.710 177.615 175.900 0.009 0.000 1.164 184 Y CA 1.876 59.995 58.100 0.031 0.000 1.229 184 Y CB -0.027 38.457 38.460 0.041 0.000 0.977 184 Y HN 0.245 nan 8.280 nan 0.000 0.538 185 G N -1.481 107.352 108.800 0.055 0.000 2.163 185 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.213 185 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.213 185 G C 0.893 175.803 174.900 0.017 0.000 0.991 185 G CA 0.300 45.389 45.100 -0.018 0.000 0.653 185 G HN 0.397 nan 8.290 nan 0.000 0.518 186 L N 0.106 121.381 121.223 0.087 0.000 2.131 186 L HA 0.356 4.696 4.340 -0.000 0.000 0.206 186 L C 1.731 178.583 176.870 -0.029 0.000 1.087 186 L CA 1.517 56.385 54.840 0.046 0.000 0.767 186 L CB -0.222 41.877 42.059 0.066 0.000 0.917 186 L HN 0.620 nan 8.230 nan 0.000 0.441 187 I N -5.887 114.656 120.570 -0.044 0.000 3.002 187 I HA 0.385 4.555 4.170 -0.000 0.000 0.310 187 I C -0.103 175.935 176.117 -0.131 0.000 1.087 187 I CA -0.844 60.396 61.300 -0.100 0.000 1.017 187 I CB 1.910 39.854 38.000 -0.092 0.000 1.226 187 I HN -0.198 nan 8.210 nan 0.000 0.443 188 D N 1.345 121.608 120.400 -0.230 0.000 2.458 188 D HA 0.054 4.694 4.640 -0.000 0.000 0.252 188 D C 0.123 176.283 176.300 -0.233 0.000 1.221 188 D CA 0.905 54.756 54.000 -0.248 0.000 0.985 188 D CB 0.259 40.849 40.800 -0.349 0.000 1.050 188 D HN 0.499 nan 8.370 nan 0.000 0.411 189 K N 0.974 121.153 120.400 -0.369 0.000 2.123 189 K HA 0.377 4.697 4.320 -0.000 0.000 0.259 189 K C -1.101 175.484 176.600 -0.025 0.000 0.960 189 K CA -0.370 55.819 56.287 -0.164 0.000 0.872 189 K CB 1.912 34.370 32.500 -0.071 0.000 1.079 189 K HN -0.216 nan 8.250 nan 0.000 0.440 190 V N 6.039 125.977 119.914 0.039 0.000 2.277 190 V HA 0.178 4.298 4.120 -0.000 0.000 0.269 190 V C 0.074 176.224 176.094 0.094 0.000 1.036 190 V CA -0.728 61.608 62.300 0.060 0.000 0.821 190 V CB 0.667 32.496 31.823 0.009 0.000 1.052 190 V HN 0.751 nan 8.190 nan 0.000 0.462 191 L N 6.539 127.855 121.223 0.154 0.000 2.843 191 L HA -0.002 4.338 4.340 -0.000 0.000 0.296 191 L C 1.309 178.210 176.870 0.053 0.000 1.228 191 L CA 0.218 55.121 54.840 0.104 0.000 1.188 191 L CB -0.392 41.702 42.059 0.059 0.000 1.475 191 L HN 0.726 nan 8.230 nan 0.000 0.433 192 Q N 0.000 119.823 119.800 0.039 0.000 2.315 192 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 192 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 192 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 192 Q HN 0.000 nan 8.270 nan 0.000 0.481