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 2zl3_1_I DATA FIRST_RESID 20 DATA SEQUENCE DIYSRLLKDR IVLLSGEIND SVASSIVAQL LFLEAEDPEK DIGLYINSPG DATA SEQUENCE GVITSGLSIY DTMNFIRPDV STICIGQAAA 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 0.000 176.289 176.300 -0.019 0.000 2.045 20 D CA 0.000 54.001 54.000 0.001 0.000 0.868 20 D CB 0.000 40.823 40.800 0.039 0.000 0.688 21 I N 4.007 124.523 120.570 -0.091 0.000 2.264 21 I HA -0.183 3.987 4.170 0.000 0.000 0.248 21 I C 1.198 177.233 176.117 -0.137 0.000 1.111 21 I CA 1.675 62.877 61.300 -0.163 0.000 1.382 21 I CB -0.343 37.479 38.000 -0.295 0.000 1.060 21 I HN 0.464 nan 8.210 nan 0.000 0.418 22 Y N -0.009 120.285 120.300 -0.009 0.000 2.337 22 Y HA -0.048 4.502 4.550 0.000 0.000 0.293 22 Y C 2.739 178.639 175.900 0.000 0.000 1.123 22 Y CA 1.194 59.291 58.100 -0.005 0.000 1.201 22 Y CB -0.890 37.568 38.460 -0.004 0.000 1.011 22 Y HN 0.123 nan 8.280 nan 0.000 0.545 23 S N -0.288 115.497 115.700 0.142 0.000 2.371 23 S HA -0.140 4.330 4.470 0.000 0.000 0.224 23 S C 2.154 176.793 174.600 0.066 0.000 1.029 23 S CA 0.750 58.995 58.200 0.075 0.000 0.978 23 S CB -0.148 63.074 63.200 0.037 0.000 0.833 23 S HN 0.260 nan 8.310 nan 0.000 0.466 24 R N 1.779 122.306 120.500 0.044 0.000 2.082 24 R HA 0.000 4.340 4.340 0.000 0.000 0.234 24 R C 2.147 178.475 176.300 0.048 0.000 1.136 24 R CA 1.537 57.656 56.100 0.032 0.000 0.935 24 R CB -1.221 29.079 30.300 0.000 0.000 0.842 24 R HN 0.426 nan 8.270 nan 0.000 0.430 25 L N 0.890 122.142 121.223 0.047 0.000 2.079 25 L HA -0.220 4.120 4.340 0.000 0.000 0.210 25 L C 2.545 179.472 176.870 0.095 0.000 1.081 25 L CA 0.795 55.669 54.840 0.057 0.000 0.752 25 L CB -0.505 41.585 42.059 0.052 0.000 0.896 25 L HN 0.181 nan 8.230 nan 0.000 0.433 26 L N 0.355 121.651 121.223 0.121 0.000 2.191 26 L HA -0.215 4.125 4.340 0.000 0.000 0.212 26 L C 2.348 179.320 176.870 0.169 0.000 1.103 26 L CA 1.706 56.638 54.840 0.154 0.000 0.769 26 L CB -0.607 41.544 42.059 0.154 0.000 0.908 26 L HN 0.137 nan 8.230 nan 0.000 0.438 27 K N -1.142 119.341 120.400 0.139 0.000 2.555 27 K HA -0.123 4.197 4.320 0.000 0.000 0.193 27 K C 0.458 177.111 176.600 0.089 0.000 1.032 27 K CA 0.974 57.337 56.287 0.127 0.000 1.004 27 K CB 0.037 32.595 32.500 0.098 0.000 0.804 27 K HN 0.301 nan 8.250 nan 0.000 0.496 28 D N 0.087 120.538 120.400 0.086 0.000 2.440 28 D HA 0.155 4.795 4.640 0.000 0.000 0.216 28 D C -0.640 175.711 176.300 0.086 0.000 1.150 28 D CA -0.003 54.039 54.000 0.070 0.000 0.832 28 D CB 0.432 41.266 40.800 0.056 0.000 0.992 28 D HN 0.085 nan 8.370 nan 0.000 0.502 29 R N -0.083 120.477 120.500 0.101 0.000 3.532 29 R HA -0.156 4.184 4.340 0.000 0.000 0.284 29 R C -0.616 175.770 176.300 0.144 0.000 1.140 29 R CA 0.446 56.611 56.100 0.109 0.000 0.768 29 R CB -2.322 28.026 30.300 0.079 0.000 1.252 29 R HN 0.301 nan 8.270 nan 0.000 0.454 30 I N 1.069 121.733 120.570 0.155 0.000 2.362 30 I HA 0.334 4.504 4.170 0.000 0.000 0.289 30 I C 0.301 176.529 176.117 0.186 0.000 0.994 30 I CA -0.935 60.483 61.300 0.197 0.000 1.158 30 I CB 2.118 40.194 38.000 0.126 0.000 1.315 30 I HN -0.216 nan 8.210 nan 0.000 0.451 31 V N 7.529 127.575 119.914 0.220 0.000 2.487 31 V HA 0.440 4.560 4.120 0.000 0.000 0.298 31 V C -0.170 176.038 176.094 0.189 0.000 1.028 31 V CA -0.580 61.820 62.300 0.166 0.000 0.860 31 V CB 1.965 33.868 31.823 0.135 0.000 0.991 31 V HN 0.471 nan 8.190 nan 0.000 0.427 32 L N 5.617 126.911 121.223 0.117 0.000 2.287 32 L HA 0.532 4.872 4.340 0.000 0.000 0.287 32 L C -0.706 176.189 176.870 0.043 0.000 1.022 32 L CA -0.634 54.273 54.840 0.113 0.000 0.814 32 L CB 1.646 43.766 42.059 0.102 0.000 1.217 32 L HN 0.457 nan 8.230 nan 0.000 0.420 33 L N 3.548 124.817 121.223 0.077 0.000 2.321 33 L HA 0.456 4.796 4.340 0.000 0.000 0.272 33 L C -0.223 176.677 176.870 0.049 0.000 1.050 33 L CA 0.402 55.270 54.840 0.046 0.000 0.893 33 L CB 1.100 43.195 42.059 0.059 0.000 1.272 33 L HN 0.502 nan 8.230 nan 0.000 0.435 34 S N 3.093 118.808 115.700 0.025 0.000 2.503 34 S HA 0.915 5.385 4.470 0.000 0.000 0.301 34 S C 0.092 174.706 174.600 0.023 0.000 1.087 34 S CA 0.322 58.544 58.200 0.036 0.000 1.042 34 S CB 0.965 64.193 63.200 0.047 0.000 1.043 34 S HN 1.476 nan 8.310 nan 0.000 0.489 35 G N 3.306 112.124 108.800 0.031 0.000 2.725 35 G HA2 -0.151 3.809 3.960 0.000 0.000 0.220 35 G HA3 -0.151 3.809 3.960 0.000 0.000 0.220 35 G C -0.750 174.163 174.900 0.022 0.000 1.357 35 G CA -0.478 44.637 45.100 0.025 0.000 0.866 35 G HN 0.800 nan 8.290 nan 0.000 0.548 36 E N -0.746 119.466 120.200 0.019 0.000 2.436 36 E HA 0.307 4.657 4.350 0.000 0.000 0.262 36 E C 0.461 177.071 176.600 0.017 0.000 1.063 36 E CA 0.289 56.701 56.400 0.019 0.000 0.944 36 E CB 0.640 30.351 29.700 0.018 0.000 0.950 36 E HN 0.424 nan 8.360 nan 0.000 0.444 37 I N 2.673 123.254 120.570 0.019 0.000 2.437 37 I HA 0.235 4.405 4.170 0.000 0.000 0.298 37 I C -0.164 175.963 176.117 0.016 0.000 0.984 37 I CA -0.465 60.847 61.300 0.021 0.000 1.214 37 I CB 1.114 39.132 38.000 0.029 0.000 1.365 37 I HN 0.634 nan 8.210 nan 0.000 0.469 38 N N 2.082 120.790 118.700 0.014 0.000 3.179 38 N HA 0.196 4.936 4.740 0.000 0.000 0.250 38 N C -0.367 175.148 175.510 0.010 0.000 1.507 38 N CA -0.727 52.329 53.050 0.010 0.000 0.883 38 N CB 0.403 38.895 38.487 0.007 0.000 1.435 38 N HN 0.246 nan 8.380 nan 0.000 0.532 39 D N -0.214 120.190 120.400 0.007 0.000 2.116 39 D HA -0.216 4.424 4.640 0.000 0.000 0.193 39 D C 1.503 177.806 176.300 0.005 0.000 0.998 39 D CA 2.017 56.021 54.000 0.006 0.000 0.836 39 D CB -0.422 40.380 40.800 0.003 0.000 0.951 39 D HN 0.504 nan 8.370 nan 0.000 0.449 40 S N -0.120 115.581 115.700 0.002 0.000 2.351 40 S HA -0.156 4.314 4.470 0.000 0.000 0.220 40 S C 2.203 176.801 174.600 -0.003 0.000 1.035 40 S CA 1.550 59.749 58.200 -0.001 0.000 1.031 40 S CB -0.452 62.746 63.200 -0.003 0.000 0.928 40 S HN 0.081 nan 8.310 nan 0.000 0.433 41 V N 2.373 122.286 119.914 -0.003 0.000 2.332 41 V HA -0.155 3.965 4.120 0.000 0.000 0.248 41 V C 2.903 179.000 176.094 0.005 0.000 1.055 41 V CA 1.855 64.151 62.300 -0.005 0.000 1.038 41 V CB -1.468 30.354 31.823 -0.002 0.000 0.651 41 V HN 0.645 nan 8.190 nan 0.000 0.450 42 A N -0.443 122.386 122.820 0.014 0.000 1.933 42 A HA -0.211 4.109 4.320 0.000 0.000 0.218 42 A C 2.485 180.084 177.584 0.024 0.000 1.175 42 A CA 2.269 54.321 52.037 0.026 0.000 0.628 42 A CB -0.663 18.354 19.000 0.028 0.000 0.814 42 A HN 0.516 nan 8.150 nan 0.000 0.444 43 S N -0.518 115.191 115.700 0.015 0.000 2.368 43 S HA -0.143 4.327 4.470 0.000 0.000 0.225 43 S C 2.323 176.932 174.600 0.015 0.000 1.030 43 S CA 1.363 59.572 58.200 0.015 0.000 0.999 43 S CB -0.395 62.810 63.200 0.008 0.000 0.844 43 S HN 0.707 nan 8.310 nan 0.000 0.459 44 S N 1.476 117.178 115.700 0.004 0.000 2.359 44 S HA -0.111 4.359 4.470 0.000 0.000 0.222 44 S C 1.840 176.446 174.600 0.011 0.000 1.038 44 S CA 1.194 59.390 58.200 -0.006 0.000 1.051 44 S CB -0.461 62.722 63.200 -0.029 0.000 0.944 44 S HN 0.341 nan 8.310 nan 0.000 0.433 45 I N 1.607 122.189 120.570 0.019 0.000 2.264 45 I HA -0.096 4.074 4.170 0.000 0.000 0.248 45 I C 2.416 178.570 176.117 0.062 0.000 1.111 45 I CA 0.967 62.291 61.300 0.041 0.000 1.382 45 I CB -1.566 36.462 38.000 0.047 0.000 1.060 45 I HN 0.233 nan 8.210 nan 0.000 0.418 46 V N 1.262 121.212 119.914 0.059 0.000 2.323 46 V HA -0.191 3.929 4.120 0.000 0.000 0.244 46 V C 2.835 178.981 176.094 0.086 0.000 1.041 46 V CA 1.678 64.022 62.300 0.073 0.000 1.025 46 V CB -1.055 30.803 31.823 0.059 0.000 0.656 46 V HN 0.437 nan 8.190 nan 0.000 0.451 47 A N -0.680 122.182 122.820 0.071 0.000 1.940 47 A HA -0.311 4.009 4.320 0.000 0.000 0.219 47 A C 2.158 179.820 177.584 0.131 0.000 1.176 47 A CA 2.109 54.197 52.037 0.084 0.000 0.631 47 A CB -0.483 18.542 19.000 0.043 0.000 0.814 47 A HN 0.664 nan 8.150 nan 0.000 0.446 48 Q N -0.663 119.205 119.800 0.113 0.000 2.123 48 Q HA 0.008 4.348 4.340 0.000 0.000 0.199 48 Q C 2.046 178.165 176.000 0.198 0.000 0.966 48 Q CA 1.138 57.041 55.803 0.166 0.000 0.845 48 Q CB -0.243 28.560 28.738 0.108 0.000 0.907 48 Q HN 0.672 nan 8.270 nan 0.000 0.439 49 L N 0.247 121.554 121.223 0.139 0.000 2.093 49 L HA -0.166 4.174 4.340 0.000 0.000 0.208 49 L C 2.231 179.165 176.870 0.106 0.000 1.085 49 L CA 0.805 55.713 54.840 0.114 0.000 0.755 49 L CB -0.314 41.805 42.059 0.099 0.000 0.904 49 L HN 0.257 nan 8.230 nan 0.000 0.435 50 L N -1.234 120.067 121.223 0.130 0.000 1.961 50 L HA -0.254 4.086 4.340 0.000 0.000 0.210 50 L C 2.581 179.518 176.870 0.112 0.000 1.072 50 L CA 1.346 56.256 54.840 0.116 0.000 0.749 50 L CB -0.794 41.346 42.059 0.136 0.000 0.889 50 L HN 0.140 nan 8.230 nan 0.000 0.432 51 F N 1.173 121.143 119.950 0.032 0.000 2.045 51 F HA -0.328 4.199 4.527 0.000 0.000 0.297 51 F C 2.301 178.114 175.800 0.023 0.000 1.114 51 F CA 1.836 59.851 58.000 0.026 0.000 1.207 51 F CB -0.558 38.459 39.000 0.028 0.000 0.964 51 F HN -0.103 nan 8.300 nan 0.000 0.486 52 L N -0.060 121.097 121.223 -0.110 0.000 2.081 52 L HA -0.262 4.078 4.340 0.000 0.000 0.212 52 L C 2.582 179.328 176.870 -0.207 0.000 1.080 52 L CA 2.018 56.732 54.840 -0.210 0.000 0.754 52 L CB -0.928 41.133 42.059 0.004 0.000 0.893 52 L HN 0.345 nan 8.230 nan 0.000 0.433 53 E N 0.308 120.435 120.200 -0.122 0.000 2.072 53 E HA -0.223 4.127 4.350 0.000 0.000 0.191 53 E C 2.235 178.751 176.600 -0.140 0.000 0.985 53 E CA 1.085 57.421 56.400 -0.108 0.000 0.801 53 E CB 0.021 29.675 29.700 -0.077 0.000 0.750 53 E HN 0.470 nan 8.360 nan 0.000 0.452 54 A N 1.106 123.828 122.820 -0.164 0.000 2.019 54 A HA -0.174 4.146 4.320 0.000 0.000 0.219 54 A C 1.835 179.297 177.584 -0.203 0.000 1.164 54 A CA 1.323 53.269 52.037 -0.152 0.000 0.644 54 A CB -0.254 18.679 19.000 -0.112 0.000 0.805 54 A HN 0.189 nan 8.150 nan 0.000 0.449 55 E N -0.519 119.485 120.200 -0.326 0.000 2.170 55 E HA 0.031 4.381 4.350 0.000 0.000 0.191 55 E C -0.296 176.204 176.600 -0.167 0.000 0.981 55 E CA 0.572 56.798 56.400 -0.290 0.000 0.830 55 E CB 0.212 29.647 29.700 -0.442 0.000 0.775 55 E HN 0.552 nan 8.360 nan 0.000 0.470 56 D N -1.210 119.101 120.400 -0.148 0.000 2.301 56 D HA 0.089 4.729 4.640 0.000 0.000 0.203 56 D C -2.509 173.743 176.300 -0.080 0.000 1.300 56 D CA -1.170 52.773 54.000 -0.094 0.000 0.899 56 D CB 1.596 42.352 40.800 -0.074 0.000 1.597 56 D HN -0.261 nan 8.370 nan 0.000 0.538 57 P HA 0.098 nan 4.420 nan 0.000 0.236 57 P C 0.712 177.981 177.300 -0.052 0.000 1.177 57 P CA 0.660 63.719 63.100 -0.068 0.000 0.773 57 P CB 0.692 32.349 31.700 -0.071 0.000 0.878 58 E N -0.258 119.917 120.200 -0.042 0.000 2.075 58 E HA 0.023 4.373 4.350 0.000 0.000 0.190 58 E C 0.566 177.154 176.600 -0.021 0.000 0.969 58 E CA 0.458 56.840 56.400 -0.030 0.000 0.815 58 E CB -0.109 29.575 29.700 -0.026 0.000 0.776 58 E HN 0.247 nan 8.360 nan 0.000 0.457 59 K N 1.841 122.229 120.400 -0.019 0.000 2.276 59 K HA 0.054 4.374 4.320 0.000 0.000 0.259 59 K C -0.249 176.352 176.600 0.002 0.000 1.001 59 K CA -0.244 56.040 56.287 -0.006 0.000 0.927 59 K CB 0.387 32.884 32.500 -0.004 0.000 0.969 59 K HN -0.008 nan 8.250 nan 0.000 0.490 60 D N 1.201 121.611 120.400 0.016 0.000 2.357 60 D HA 0.218 4.858 4.640 0.000 0.000 0.242 60 D C 0.111 176.434 176.300 0.039 0.000 1.153 60 D CA 0.129 54.146 54.000 0.028 0.000 0.918 60 D CB 0.674 41.500 40.800 0.044 0.000 1.181 60 D HN 0.246 nan 8.370 nan 0.000 0.435 61 I N 0.026 120.623 120.570 0.045 0.000 2.509 61 I HA 0.380 4.550 4.170 0.000 0.000 0.293 61 I C 0.613 176.776 176.117 0.076 0.000 1.020 61 I CA -0.892 60.447 61.300 0.064 0.000 1.088 61 I CB 2.208 40.242 38.000 0.056 0.000 1.267 61 I HN 0.215 nan 8.210 nan 0.000 0.430 62 G N 5.954 114.825 108.800 0.118 0.000 2.415 62 G HA2 0.536 4.496 3.960 0.000 0.000 0.317 62 G HA3 0.536 4.496 3.960 0.000 0.000 0.317 62 G C -1.190 173.798 174.900 0.145 0.000 1.152 62 G CA -0.297 44.874 45.100 0.120 0.000 0.956 62 G HN 0.368 nan 8.290 nan 0.000 0.458 63 L N 3.793 125.027 121.223 0.018 0.000 2.297 63 L HA 0.514 4.854 4.340 0.000 0.000 0.277 63 L C -1.118 175.740 176.870 -0.020 0.000 1.040 63 L CA -1.365 53.513 54.840 0.064 0.000 0.867 63 L CB 0.008 42.093 42.059 0.044 0.000 1.244 63 L HN 0.457 nan 8.230 nan 0.000 0.433 64 Y N 5.328 125.673 120.300 0.074 0.000 2.359 64 Y HA 0.456 5.006 4.550 0.000 0.000 0.334 64 Y C 0.317 176.254 175.900 0.060 0.000 1.058 64 Y CA -0.065 58.079 58.100 0.074 0.000 1.244 64 Y CB 0.708 39.215 38.460 0.078 0.000 1.187 64 Y HN 0.405 nan 8.280 nan 0.000 0.510 65 I N 3.300 123.955 120.570 0.142 0.000 2.474 65 I HA 0.314 4.484 4.170 0.000 0.000 0.294 65 I C -0.467 175.710 176.117 0.100 0.000 1.005 65 I CA -0.769 60.592 61.300 0.102 0.000 1.113 65 I CB 1.802 39.835 38.000 0.054 0.000 1.289 65 I HN 0.571 nan 8.210 nan 0.000 0.436 66 N N 3.608 122.359 118.700 0.084 0.000 2.824 66 N HA 0.225 4.965 4.740 0.000 0.000 0.224 66 N C -1.708 173.835 175.510 0.055 0.000 1.418 66 N CA -0.133 52.961 53.050 0.073 0.000 0.743 66 N CB 1.091 39.629 38.487 0.085 0.000 1.395 66 N HN 0.559 nan 8.380 nan 0.000 0.548 67 S N 1.446 117.172 115.700 0.043 0.000 2.546 67 S HA 0.650 5.120 4.470 0.000 0.000 0.274 67 S C -2.437 172.174 174.600 0.018 0.000 1.121 67 S CA -1.305 56.914 58.200 0.032 0.000 0.887 67 S CB 1.667 64.888 63.200 0.034 0.000 1.094 67 S HN 0.295 nan 8.310 nan 0.000 0.474 68 P HA 0.303 nan 4.420 nan 0.000 0.255 68 P C 0.794 178.084 177.300 -0.017 0.000 1.248 68 P CA 0.667 63.768 63.100 0.001 0.000 0.807 68 P CB -0.125 31.587 31.700 0.019 0.000 1.150 69 G N -0.989 107.810 108.800 -0.002 0.000 2.472 69 G HA2 0.260 4.220 3.960 0.000 0.000 0.205 69 G HA3 0.260 4.220 3.960 0.000 0.000 0.205 69 G C -0.230 174.681 174.900 0.019 0.000 1.270 69 G CA -0.366 44.736 45.100 0.003 0.000 0.974 69 G HN 0.598 nan 8.290 nan 0.000 0.542 70 G N -2.724 106.090 108.800 0.024 0.000 2.455 70 G HA2 0.545 4.505 3.960 0.000 0.000 0.223 70 G HA3 0.545 4.505 3.960 0.000 0.000 0.223 70 G C -0.618 174.291 174.900 0.016 0.000 1.226 70 G CA 0.612 45.726 45.100 0.022 0.000 0.948 70 G HN 1.815 nan 8.290 nan 0.000 0.478 71 V N 2.165 122.084 119.914 0.009 0.000 2.585 71 V HA 0.169 4.289 4.120 0.000 0.000 0.296 71 V C 1.871 177.957 176.094 -0.013 0.000 1.035 71 V CA 0.220 62.520 62.300 -0.001 0.000 1.084 71 V CB 0.881 32.704 31.823 -0.000 0.000 0.953 71 V HN 0.579 nan 8.190 nan 0.000 0.483 72 I N 3.780 124.330 120.570 -0.032 0.000 2.113 72 I HA -0.217 3.953 4.170 0.000 0.000 0.238 72 I C 2.667 178.753 176.117 -0.052 0.000 1.070 72 I CA 2.006 63.266 61.300 -0.066 0.000 1.332 72 I CB -0.492 37.455 38.000 -0.088 0.000 1.044 72 I HN 0.940 nan 8.210 nan 0.000 0.402 73 T N -1.941 112.594 114.554 -0.032 0.000 2.803 73 T HA -0.153 4.197 4.350 0.000 0.000 0.269 73 T C 1.908 176.610 174.700 0.003 0.000 1.052 73 T CA 1.776 63.867 62.100 -0.015 0.000 1.136 73 T CB -0.521 68.339 68.868 -0.013 0.000 0.864 73 T HN 0.219 nan 8.240 nan 0.000 0.467 74 S N 1.332 117.035 115.700 0.005 0.000 2.387 74 S HA 0.135 4.605 4.470 0.000 0.000 0.226 74 S C 2.447 177.072 174.600 0.043 0.000 1.026 74 S CA 0.837 59.049 58.200 0.020 0.000 0.972 74 S CB -1.028 62.181 63.200 0.015 0.000 0.814 74 S HN 0.769 nan 8.310 nan 0.000 0.477 75 G N 2.190 111.013 108.800 0.037 0.000 2.433 75 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 75 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 75 G C 1.311 176.299 174.900 0.147 0.000 1.186 75 G CA 0.631 45.778 45.100 0.078 0.000 0.779 75 G HN 0.432 nan 8.290 nan 0.000 0.543 76 L N 1.674 122.965 121.223 0.113 0.000 2.129 76 L HA -0.169 4.171 4.340 0.000 0.000 0.212 76 L C 3.335 180.311 176.870 0.176 0.000 1.087 76 L CA 1.566 56.532 54.840 0.209 0.000 0.757 76 L CB -0.547 41.582 42.059 0.115 0.000 0.896 76 L HN 0.462 nan 8.230 nan 0.000 0.434 77 S N 0.147 115.904 115.700 0.095 0.000 2.368 77 S HA -0.166 4.304 4.470 0.000 0.000 0.225 77 S C 1.893 176.540 174.600 0.078 0.000 1.030 77 S CA 1.024 59.256 58.200 0.053 0.000 0.999 77 S CB -0.651 62.567 63.200 0.030 0.000 0.844 77 S HN 0.376 nan 8.310 nan 0.000 0.459 78 I N 0.428 121.069 120.570 0.118 0.000 2.142 78 I HA -0.147 4.023 4.170 0.000 0.000 0.240 78 I C 2.614 178.843 176.117 0.185 0.000 1.078 78 I CA 1.896 63.276 61.300 0.134 0.000 1.343 78 I CB -0.681 37.401 38.000 0.137 0.000 1.046 78 I HN 0.278 nan 8.210 nan 0.000 0.405 79 Y N 2.429 122.796 120.300 0.112 0.000 2.053 79 Y HA -0.363 4.187 4.550 0.000 0.000 0.277 79 Y C 2.217 178.175 175.900 0.096 0.000 1.159 79 Y CA 1.856 60.031 58.100 0.125 0.000 1.125 79 Y CB -0.876 37.731 38.460 0.245 0.000 0.969 79 Y HN 0.198 nan 8.280 nan 0.000 0.492 80 D N -0.638 119.649 120.400 -0.189 0.000 2.190 80 D HA -0.167 4.473 4.640 0.000 0.000 0.200 80 D C 2.121 178.366 176.300 -0.093 0.000 0.992 80 D CA 1.989 55.815 54.000 -0.289 0.000 0.854 80 D CB -0.388 40.309 40.800 -0.171 0.000 0.936 80 D HN 0.478 nan 8.370 nan 0.000 0.462 81 T N 0.339 114.899 114.554 0.010 0.000 2.821 81 T HA -0.091 4.260 4.350 0.000 0.000 0.267 81 T C 2.122 176.891 174.700 0.115 0.000 1.046 81 T CA 0.793 62.961 62.100 0.114 0.000 1.139 81 T CB -0.101 68.832 68.868 0.108 0.000 0.871 81 T HN 0.175 nan 8.240 nan 0.000 0.454 82 M N 1.327 120.967 119.600 0.068 0.000 2.106 82 M HA -0.135 4.345 4.480 0.000 0.000 0.259 82 M C 1.991 178.308 176.300 0.027 0.000 1.068 82 M CA 1.609 56.944 55.300 0.058 0.000 1.100 82 M CB -0.501 32.152 32.600 0.088 0.000 1.351 82 M HN 0.138 nan 8.290 nan 0.000 0.404 83 N N -0.427 118.263 118.700 -0.017 0.000 2.416 83 N HA -0.047 4.693 4.740 0.000 0.000 0.177 83 N C 1.247 176.785 175.510 0.046 0.000 1.036 83 N CA 0.654 53.691 53.050 -0.022 0.000 0.901 83 N CB -0.181 38.241 38.487 -0.108 0.000 0.976 83 N HN 0.210 nan 8.380 nan 0.000 0.444 84 F N 1.679 121.580 119.950 -0.083 0.000 2.558 84 F HA 0.214 4.741 4.527 0.000 0.000 0.298 84 F C 0.648 176.427 175.800 -0.035 0.000 1.119 84 F CA -0.121 57.844 58.000 -0.057 0.000 1.451 84 F CB -0.030 38.938 39.000 -0.053 0.000 1.091 84 F HN -0.129 nan 8.300 nan 0.000 0.563 85 I N -2.341 118.164 120.570 -0.109 0.000 2.676 85 I HA 0.427 4.597 4.170 0.000 0.000 0.309 85 I C 1.366 177.398 176.117 -0.141 0.000 0.990 85 I CA -0.998 60.193 61.300 -0.181 0.000 1.168 85 I CB 1.323 39.285 38.000 -0.063 0.000 1.343 85 I HN -0.248 nan 8.210 nan 0.000 0.482 86 R N 2.201 122.615 120.500 -0.144 0.000 2.061 86 R HA 0.137 4.477 4.340 0.000 0.000 0.230 86 R C -1.674 174.588 176.300 -0.063 0.000 1.140 86 R CA 1.062 57.100 56.100 -0.103 0.000 0.940 86 R CB -1.579 28.661 30.300 -0.100 0.000 0.839 86 R HN 0.588 nan 8.270 nan 0.000 0.429 87 P HA -0.039 nan 4.420 nan 0.000 0.266 87 P C -1.135 176.154 177.300 -0.017 0.000 1.193 87 P CA 0.607 63.689 63.100 -0.029 0.000 0.770 87 P CB 0.338 32.024 31.700 -0.023 0.000 0.836 88 D N 1.108 121.503 120.400 -0.009 0.000 2.308 88 D HA 0.140 4.780 4.640 0.000 0.000 0.251 88 D C -0.330 175.972 176.300 0.005 0.000 1.127 88 D CA 0.049 54.046 54.000 -0.005 0.000 0.876 88 D CB 0.950 41.748 40.800 -0.003 0.000 1.176 88 D HN -0.016 nan 8.370 nan 0.000 0.446 89 V N 2.408 122.324 119.914 0.003 0.000 2.333 89 V HA 0.098 4.218 4.120 0.000 0.000 0.274 89 V C 0.609 176.694 176.094 -0.014 0.000 1.028 89 V CA -0.483 61.823 62.300 0.010 0.000 0.851 89 V CB 1.331 33.168 31.823 0.023 0.000 1.000 89 V HN 0.440 nan 8.190 nan 0.000 0.456 90 S N 4.446 120.142 115.700 -0.005 0.000 2.523 90 S HA 0.480 4.950 4.470 0.000 0.000 0.275 90 S C 0.264 174.820 174.600 -0.073 0.000 1.281 90 S CA -0.463 57.718 58.200 -0.032 0.000 1.050 90 S CB 0.568 63.817 63.200 0.081 0.000 0.937 90 S HN 0.922 nan 8.310 nan 0.000 0.492 91 T N 3.294 117.765 114.554 -0.137 0.000 2.779 91 T HA 0.679 5.029 4.350 0.000 0.000 0.280 91 T C -0.600 174.016 174.700 -0.141 0.000 0.987 91 T CA -0.728 61.294 62.100 -0.131 0.000 0.966 91 T CB 0.548 69.350 68.868 -0.110 0.000 0.933 91 T HN 0.377 nan 8.240 nan 0.000 0.442 92 I N 2.506 122.964 120.570 -0.186 0.000 2.406 92 I HA 0.427 4.597 4.170 0.000 0.000 0.290 92 I C 0.262 176.348 176.117 -0.051 0.000 0.999 92 I CA -0.786 60.431 61.300 -0.139 0.000 1.124 92 I CB 1.565 39.294 38.000 -0.452 0.000 1.289 92 I HN 0.876 nan 8.210 nan 0.000 0.441 93 C N 8.466 127.778 119.300 0.019 0.000 2.388 93 C HA 0.861 5.321 4.460 0.000 0.000 0.362 93 C C -0.050 174.996 174.990 0.092 0.000 1.266 93 C CA -0.517 58.530 59.018 0.048 0.000 2.028 93 C CB -0.694 27.064 27.740 0.029 0.000 2.440 93 C HN 0.777 nan 8.230 nan 0.000 0.547 94 I N 4.698 125.335 120.570 0.112 0.000 2.571 94 I HA 0.702 4.872 4.170 0.000 0.000 0.289 94 I C 0.371 176.548 176.117 0.100 0.000 1.115 94 I CA 0.247 61.623 61.300 0.126 0.000 1.045 94 I CB 1.490 39.599 38.000 0.180 0.000 1.238 94 I HN 1.072 nan 8.210 nan 0.000 0.424 95 G N 5.448 114.301 108.800 0.089 0.000 4.886 95 G HA2 -0.280 3.680 3.960 0.000 0.000 0.305 95 G HA3 -0.280 3.680 3.960 0.000 0.000 0.305 95 G C -0.079 174.861 174.900 0.067 0.000 1.483 95 G CA 0.764 45.910 45.100 0.075 0.000 1.029 95 G HN 1.311 nan 8.290 nan 0.000 0.746 96 Q N -0.697 119.140 119.800 0.061 0.000 2.472 96 Q HA 0.702 5.042 4.340 0.000 0.000 0.281 96 Q C -1.163 174.858 176.000 0.035 0.000 0.997 96 Q CA -0.272 55.560 55.803 0.049 0.000 0.828 96 Q CB 1.804 30.574 28.738 0.054 0.000 1.443 96 Q HN 2.012 nan 8.270 nan 0.000 0.390 97 A N 1.255 124.084 122.820 0.015 0.000 2.815 97 A HA 0.791 5.111 4.320 0.000 0.000 0.318 97 A C -0.982 176.579 177.584 -0.039 0.000 1.186 97 A CA 0.058 52.094 52.037 -0.001 0.000 0.754 97 A CB 0.680 19.680 19.000 0.000 0.000 1.151 97 A HN 0.880 nan 8.150 nan 0.000 0.452 98 A N 1.312 124.096 122.820 -0.059 0.000 2.337 98 A HA 0.967 5.287 4.320 0.000 0.000 0.331 98 A C 0.984 178.460 177.584 -0.179 0.000 1.137 98 A CA 0.358 52.306 52.037 -0.150 0.000 0.807 98 A CB 0.659 19.564 19.000 -0.158 0.000 1.250 98 A HN 2.736 nan 8.150 nan 0.000 0.468 99 A N 0.702 123.323 122.820 -0.332 0.000 5.391 99 A HA -0.320 4.000 4.320 0.000 0.000 0.315 99 A C 1.602 179.154 177.584 -0.053 0.000 1.874 99 A CA 2.526 54.356 52.037 -0.345 0.000 0.714 99 A CB -1.747 17.018 19.000 -0.392 0.000 1.335 99 A HN 2.098 nan 8.150 nan 0.000 0.382 100 M N 0.829 120.430 119.600 0.002 0.000 2.346 100 M HA 0.015 4.495 4.480 0.000 0.000 0.263 100 M C 1.789 178.153 176.300 0.108 0.000 1.064 100 M CA 2.671 58.006 55.300 0.057 0.000 1.083 100 M CB -1.298 31.311 32.600 0.014 0.000 1.399 100 M HN 1.054 nan 8.290 nan 0.000 0.435 101 G N -0.989 107.837 108.800 0.043 0.000 2.404 101 G HA2 -0.051 3.909 3.960 0.000 0.000 0.215 101 G HA3 -0.051 3.909 3.960 0.000 0.000 0.215 101 G C 1.538 176.460 174.900 0.037 0.000 1.174 101 G CA 0.801 45.925 45.100 0.040 0.000 0.780 101 G HN 0.635 nan 8.290 nan 0.000 0.537 102 A N 0.322 123.152 122.820 0.017 0.000 1.930 102 A HA 0.100 4.420 4.320 0.000 0.000 0.217 102 A C 2.133 179.733 177.584 0.027 0.000 1.175 102 A CA 1.461 53.501 52.037 0.005 0.000 0.627 102 A CB -0.548 18.441 19.000 -0.019 0.000 0.815 102 A HN 0.371 nan 8.150 nan 0.000 0.443 103 F N 0.814 120.724 119.950 -0.067 0.000 2.065 103 F HA -0.222 4.305 4.527 0.000 0.000 0.298 103 F C 1.969 177.698 175.800 -0.117 0.000 1.112 103 F CA 2.033 59.977 58.000 -0.094 0.000 1.212 103 F CB -0.365 38.576 39.000 -0.099 0.000 0.975 103 F HN 0.154 nan 8.300 nan 0.000 0.476 104 L N -0.445 120.799 121.223 0.036 0.000 2.042 104 L HA -0.233 4.107 4.340 0.000 0.000 0.210 104 L C 2.484 179.287 176.870 -0.112 0.000 1.076 104 L CA 1.179 55.996 54.840 -0.037 0.000 0.749 104 L CB -0.950 41.162 42.059 0.089 0.000 0.893 104 L HN 0.317 nan 8.230 nan 0.000 0.432 105 L N 0.455 121.631 121.223 -0.078 0.000 1.990 105 L HA -0.270 4.070 4.340 0.000 0.000 0.213 105 L C 2.789 179.573 176.870 -0.144 0.000 1.072 105 L CA 2.420 57.207 54.840 -0.089 0.000 0.755 105 L CB -0.708 41.316 42.059 -0.059 0.000 0.889 105 L HN 0.397 nan 8.230 nan 0.000 0.432 106 S N -2.541 113.048 115.700 -0.186 0.000 2.500 106 S HA -0.162 4.308 4.470 0.000 0.000 0.239 106 S C 1.806 176.246 174.600 -0.266 0.000 0.989 106 S CA 0.924 58.996 58.200 -0.213 0.000 0.951 106 S CB -1.471 61.598 63.200 -0.217 0.000 0.759 106 S HN 0.572 nan 8.310 nan 0.000 0.523 107 C N 1.500 120.618 119.300 -0.302 0.000 2.673 107 C HA 0.423 4.883 4.460 0.000 0.000 0.264 107 C C 1.901 176.844 174.990 -0.078 0.000 1.304 107 C CA -0.774 58.111 59.018 -0.222 0.000 1.727 107 C CB -1.643 25.939 27.740 -0.264 0.000 1.932 107 C HN 0.732 nan 8.230 nan 0.000 0.563 108 G N 0.733 109.469 108.800 -0.106 0.000 2.720 108 G HA2 0.370 4.330 3.960 0.000 0.000 0.237 108 G HA3 0.370 4.330 3.960 0.000 0.000 0.237 108 G C 0.258 175.101 174.900 -0.095 0.000 1.239 108 G CA 0.278 45.321 45.100 -0.096 0.000 0.847 108 G HN 0.682 nan 8.290 nan 0.000 0.593 109 A N 1.336 124.106 122.820 -0.084 0.000 2.548 109 A HA 0.302 4.622 4.320 0.000 0.000 0.247 109 A C 0.905 178.425 177.584 -0.106 0.000 1.067 109 A CA -0.103 51.891 52.037 -0.071 0.000 0.757 109 A CB 0.121 19.092 19.000 -0.048 0.000 0.996 109 A HN 0.551 nan 8.150 nan 0.000 0.504 110 K N 1.648 122.000 120.400 -0.081 0.000 2.511 110 K HA 0.081 4.401 4.320 0.000 0.000 0.277 110 K C 1.343 177.888 176.600 -0.092 0.000 1.025 110 K CA 1.393 57.628 56.287 -0.086 0.000 1.112 110 K CB -0.150 32.316 32.500 -0.056 0.000 0.859 110 K HN 1.679 nan 8.250 nan 0.000 0.485 111 G N 2.852 111.581 108.800 -0.119 0.000 2.176 111 G HA2 -0.316 3.644 3.960 0.000 0.000 0.253 111 G HA3 -0.316 3.644 3.960 0.000 0.000 0.253 111 G C 0.338 175.140 174.900 -0.164 0.000 0.979 111 G CA 0.405 45.447 45.100 -0.096 0.000 0.641 111 G HN 0.569 nan 8.290 nan 0.000 0.530 112 K N -0.006 120.206 120.400 -0.314 0.000 2.792 112 K HA 0.252 4.572 4.320 0.000 0.000 0.207 112 K C 0.292 176.255 176.600 -1.062 0.000 1.103 112 K CA -0.423 55.524 56.287 -0.568 0.000 1.048 112 K CB 0.842 33.249 32.500 -0.154 0.000 0.777 112 K HN 0.245 nan 8.250 nan 0.000 0.468 113 R N 0.989 120.893 120.500 -0.993 0.000 2.239 113 R HA 0.376 4.716 4.340 0.000 0.000 0.332 113 R C -0.817 175.013 176.300 -0.783 0.000 0.988 113 R CA -0.382 55.284 56.100 -0.722 0.000 0.859 113 R CB 0.478 30.564 30.300 -0.356 0.000 1.148 113 R HN -0.069 nan 8.270 nan 0.000 0.482 114 F N -0.086 119.823 119.950 -0.068 0.000 2.631 114 F HA 0.673 5.200 4.527 0.000 0.000 0.350 114 F C 0.571 176.338 175.800 -0.055 0.000 1.080 114 F CA -1.183 56.783 58.000 -0.057 0.000 1.026 114 F CB 1.711 40.674 39.000 -0.062 0.000 1.347 114 F HN 0.265 nan 8.300 nan 0.000 0.501 115 S N 0.247 116.058 115.700 0.185 0.000 2.542 115 S HA 0.562 5.032 4.470 0.000 0.000 0.276 115 S C -1.473 173.172 174.600 0.075 0.000 1.148 115 S CA -0.779 57.477 58.200 0.093 0.000 0.886 115 S CB 0.608 63.835 63.200 0.045 0.000 1.109 115 S HN 0.612 nan 8.310 nan 0.000 0.458 116 L N 5.367 126.631 121.223 0.068 0.000 2.417 116 L HA 0.353 4.693 4.340 0.000 0.000 0.268 116 L C -0.907 175.955 176.870 -0.012 0.000 1.158 116 L CA -1.856 53.011 54.840 0.046 0.000 0.819 116 L CB 0.541 42.650 42.059 0.082 0.000 1.112 116 L HN 0.615 nan 8.230 nan 0.000 0.458 117 P HA -0.245 nan 4.420 nan 0.000 0.218 117 P C 0.754 177.789 177.300 -0.441 0.000 1.150 117 P CA 1.780 64.710 63.100 -0.284 0.000 0.841 117 P CB 0.026 31.495 31.700 -0.384 0.000 0.784 118 H N -1.569 117.516 119.070 0.024 0.000 2.542 118 H HA 0.315 4.871 4.556 0.000 0.000 0.283 118 H C 0.670 176.011 175.328 0.021 0.000 1.059 118 H CA -0.189 55.870 56.048 0.018 0.000 1.162 118 H CB 0.217 29.988 29.762 0.015 0.000 1.539 118 H HN 0.127 nan 8.280 nan 0.000 0.543 119 S N 1.505 117.250 115.700 0.076 0.000 2.600 119 S HA 0.295 4.765 4.470 0.000 0.000 0.265 119 S C 0.773 175.402 174.600 0.048 0.000 1.325 119 S CA -0.412 57.828 58.200 0.067 0.000 1.002 119 S CB 1.261 64.492 63.200 0.052 0.000 0.921 119 S HN 0.280 nan 8.310 nan 0.000 0.554 120 R N 0.681 121.211 120.500 0.049 0.000 2.621 120 R HA 0.580 4.920 4.340 0.000 0.000 0.292 120 R C -1.238 175.078 176.300 0.027 0.000 0.969 120 R CA -0.535 55.593 56.100 0.047 0.000 0.887 120 R CB 1.156 31.507 30.300 0.085 0.000 1.180 120 R HN 0.458 nan 8.270 nan 0.000 0.450 121 I N 2.572 123.135 120.570 -0.012 0.000 2.530 121 I HA 0.478 4.648 4.170 0.000 0.000 0.297 121 I C -0.104 175.939 176.117 -0.124 0.000 1.011 121 I CA -0.391 60.877 61.300 -0.052 0.000 1.107 121 I CB 1.873 39.842 38.000 -0.052 0.000 1.285 121 I HN 0.326 nan 8.210 nan 0.000 0.436 122 M N 7.688 127.179 119.600 -0.182 0.000 2.378 122 M HA 0.590 5.070 4.480 0.000 0.000 0.289 122 M C -1.897 174.254 176.300 -0.248 0.000 1.136 122 M CA -0.546 54.548 55.300 -0.343 0.000 0.917 122 M CB 2.148 34.333 32.600 -0.691 0.000 1.669 122 M HN 0.567 nan 8.290 nan 0.000 0.461 123 I N 1.448 121.933 120.570 -0.142 0.000 2.846 123 I HA 0.805 4.975 4.170 0.000 0.000 0.307 123 I C -1.006 175.141 176.117 0.050 0.000 1.053 123 I CA -0.595 60.688 61.300 -0.029 0.000 1.050 123 I CB 2.527 40.590 38.000 0.105 0.000 1.239 123 I HN 0.972 nan 8.210 nan 0.000 0.439 124 H N 1.479 120.542 119.070 -0.011 0.000 2.863 124 H HA 0.366 4.922 4.556 0.000 0.000 0.274 124 H C -1.849 173.465 175.328 -0.024 0.000 1.457 124 H CA -1.204 54.830 56.048 -0.023 0.000 1.151 124 H CB 1.234 30.969 29.762 -0.044 0.000 1.844 124 H HN 0.797 nan 8.280 nan 0.000 0.562 125 Q N 1.148 120.893 119.800 -0.092 0.000 2.221 125 Q HA 0.506 4.846 4.340 0.000 0.000 0.242 125 Q C -2.544 173.211 176.000 -0.407 0.000 0.940 125 Q CA -2.025 53.678 55.803 -0.168 0.000 0.896 125 Q CB 1.612 30.276 28.738 -0.124 0.000 1.226 125 Q HN 0.388 nan 8.270 nan 0.000 0.463 126 P HA 0.041 nan 4.420 nan 0.000 0.269 126 P C -0.874 176.296 177.300 -0.217 0.000 1.215 126 P CA 0.033 63.003 63.100 -0.216 0.000 0.780 126 P CB 0.751 32.379 31.700 -0.120 0.000 0.898 127 L N 0.913 122.036 121.223 -0.167 0.000 2.332 127 L HA 0.859 5.199 4.340 0.000 0.000 0.269 127 L C 1.040 177.871 176.870 -0.064 0.000 1.016 127 L CA -0.218 54.556 54.840 -0.110 0.000 0.809 127 L CB 1.794 43.808 42.059 -0.075 0.000 1.280 127 L HN 0.636 nan 8.230 nan 0.000 0.447 128 G N -0.501 108.271 108.800 -0.048 0.000 2.489 128 G HA2 0.599 4.559 3.960 0.000 0.000 0.305 128 G HA3 0.599 4.559 3.960 0.000 0.000 0.305 128 G C -1.671 173.213 174.900 -0.025 0.000 1.311 128 G CA -0.059 45.021 45.100 -0.034 0.000 0.813 128 G HN 0.842 nan 8.290 nan 0.000 0.480 129 G N -1.396 107.392 108.800 -0.021 0.000 2.766 129 G HA2 0.832 4.792 3.960 0.000 0.000 0.297 129 G HA3 0.832 4.792 3.960 0.000 0.000 0.297 129 G C -0.844 174.047 174.900 -0.015 0.000 1.431 129 G CA 0.618 45.708 45.100 -0.016 0.000 1.042 129 G HN 1.700 nan 8.290 nan 0.000 0.542 130 A N 0.969 123.781 122.820 -0.013 0.000 2.374 130 A HA 0.931 5.251 4.320 0.000 0.000 0.317 130 A C -0.647 176.932 177.584 -0.010 0.000 1.094 130 A CA -0.767 51.263 52.037 -0.012 0.000 0.765 130 A CB 2.407 21.399 19.000 -0.013 0.000 1.268 130 A HN 0.890 nan 8.150 nan 0.000 0.438 131 Q N 0.318 120.113 119.800 -0.008 0.000 2.309 131 Q HA 0.600 4.940 4.340 0.000 0.000 0.273 131 Q C -0.273 175.723 176.000 -0.006 0.000 1.040 131 Q CA 0.657 56.456 55.803 -0.007 0.000 0.834 131 Q CB 1.851 30.585 28.738 -0.006 0.000 1.345 131 Q HN 2.498 nan 8.270 nan 0.000 0.414 132 G N 1.983 110.780 108.800 -0.006 0.000 2.306 132 G HA2 -0.093 3.867 3.960 0.000 0.000 0.262 132 G HA3 -0.093 3.867 3.960 0.000 0.000 0.262 132 G C -1.204 173.693 174.900 -0.005 0.000 1.263 132 G CA -0.644 44.453 45.100 -0.005 0.000 1.088 132 G HN 0.661 nan 8.290 nan 0.000 0.489 133 Q N -0.040 119.757 119.800 -0.005 0.000 2.474 133 Q HA 0.430 4.770 4.340 0.000 0.000 0.256 133 Q C 1.878 177.875 176.000 -0.006 0.000 1.048 133 Q CA 0.287 56.087 55.803 -0.005 0.000 0.922 133 Q CB 0.922 29.657 28.738 -0.005 0.000 1.288 133 Q HN 1.213 nan 8.270 nan 0.000 0.484 134 A N 1.664 124.481 122.820 -0.005 0.000 1.917 134 A HA -0.226 4.094 4.320 0.000 0.000 0.219 134 A C 2.139 179.719 177.584 -0.006 0.000 1.182 134 A CA 2.197 54.231 52.037 -0.006 0.000 0.633 134 A CB -0.543 18.454 19.000 -0.005 0.000 0.819 134 A HN 0.737 nan 8.150 nan 0.000 0.448 135 S N 0.301 115.998 115.700 -0.006 0.000 2.359 135 S HA -0.162 4.308 4.470 0.000 0.000 0.224 135 S C 1.585 176.181 174.600 -0.007 0.000 1.035 135 S CA 1.482 59.678 58.200 -0.006 0.000 1.018 135 S CB -0.439 62.758 63.200 -0.005 0.000 0.876 135 S HN 0.658 nan 8.310 nan 0.000 0.448 136 D N 1.234 121.630 120.400 -0.007 0.000 2.149 136 D HA 0.048 4.688 4.640 0.000 0.000 0.201 136 D C 1.904 178.199 176.300 -0.009 0.000 0.972 136 D CA 0.660 54.655 54.000 -0.008 0.000 0.835 136 D CB -0.343 40.453 40.800 -0.007 0.000 0.966 136 D HN 0.344 nan 8.370 nan 0.000 0.476 137 I N 1.257 121.822 120.570 -0.009 0.000 2.264 137 I HA -0.248 3.922 4.170 0.000 0.000 0.248 137 I C 2.538 178.649 176.117 -0.011 0.000 1.111 137 I CA 1.128 62.422 61.300 -0.010 0.000 1.382 137 I CB -0.159 37.835 38.000 -0.009 0.000 1.060 137 I HN 0.018 nan 8.210 nan 0.000 0.418 138 E N 1.542 121.735 120.200 -0.010 0.000 2.072 138 E HA -0.207 4.143 4.350 0.000 0.000 0.191 138 E C 2.337 178.930 176.600 -0.012 0.000 0.985 138 E CA 1.130 57.524 56.400 -0.011 0.000 0.801 138 E CB -0.005 29.689 29.700 -0.009 0.000 0.750 138 E HN 0.467 nan 8.360 nan 0.000 0.452 139 I N 1.157 121.721 120.570 -0.011 0.000 2.226 139 I HA -0.275 3.895 4.170 0.000 0.000 0.245 139 I C 2.292 178.401 176.117 -0.013 0.000 1.100 139 I CA 0.580 61.874 61.300 -0.011 0.000 1.374 139 I CB -0.190 37.804 38.000 -0.010 0.000 1.057 139 I HN 0.265 nan 8.210 nan 0.000 0.413 140 I N -0.015 120.547 120.570 -0.014 0.000 2.142 140 I HA -0.285 3.885 4.170 0.000 0.000 0.240 140 I C 2.777 178.883 176.117 -0.019 0.000 1.078 140 I CA 1.461 62.751 61.300 -0.016 0.000 1.343 140 I CB -1.196 36.795 38.000 -0.015 0.000 1.046 140 I HN 0.217 nan 8.210 nan 0.000 0.405 141 S N 1.332 117.021 115.700 -0.018 0.000 2.365 141 S HA -0.213 4.257 4.470 0.000 0.000 0.225 141 S C 1.782 176.369 174.600 -0.021 0.000 1.039 141 S CA 1.857 60.045 58.200 -0.020 0.000 1.033 141 S CB -0.247 62.942 63.200 -0.018 0.000 0.887 141 S HN 0.429 nan 8.310 nan 0.000 0.447 142 N N 0.967 119.656 118.700 -0.018 0.000 2.223 142 N HA -0.103 4.637 4.740 0.000 0.000 0.185 142 N C 1.732 177.230 175.510 -0.019 0.000 1.016 142 N CA 1.310 54.350 53.050 -0.017 0.000 0.863 142 N CB -0.600 37.879 38.487 -0.014 0.000 0.983 142 N HN 0.541 nan 8.380 nan 0.000 0.429 143 E N 1.063 121.252 120.200 -0.020 0.000 2.072 143 E HA -0.056 4.294 4.350 0.000 0.000 0.191 143 E C 1.828 178.411 176.600 -0.028 0.000 0.985 143 E CA 0.492 56.879 56.400 -0.022 0.000 0.801 143 E CB -0.384 29.304 29.700 -0.020 0.000 0.750 143 E HN 0.167 nan 8.360 nan 0.000 0.452 144 I N 0.228 120.779 120.570 -0.031 0.000 2.179 144 I HA -0.216 3.954 4.170 0.000 0.000 0.242 144 I C 2.105 178.197 176.117 -0.042 0.000 1.088 144 I CA 1.218 62.493 61.300 -0.040 0.000 1.357 144 I CB -0.280 37.695 38.000 -0.042 0.000 1.051 144 I HN 0.205 nan 8.210 nan 0.000 0.409 145 L N -0.384 120.818 121.223 -0.035 0.000 2.046 145 L HA -0.216 4.124 4.340 0.000 0.000 0.208 145 L C 2.722 179.575 176.870 -0.028 0.000 1.077 145 L CA 1.120 55.941 54.840 -0.032 0.000 0.747 145 L CB -0.790 41.254 42.059 -0.025 0.000 0.896 145 L HN 0.211 nan 8.230 nan 0.000 0.432 146 R N 0.636 121.121 120.500 -0.025 0.000 2.096 146 R HA -0.181 4.159 4.340 0.000 0.000 0.240 146 R C 2.245 178.530 176.300 -0.025 0.000 1.139 146 R CA 1.707 57.795 56.100 -0.020 0.000 0.952 146 R CB -0.531 29.759 30.300 -0.017 0.000 0.854 146 R HN 0.364 nan 8.270 nan 0.000 0.436 147 L N 0.574 121.774 121.223 -0.037 0.000 2.156 147 L HA -0.137 4.203 4.340 0.000 0.000 0.208 147 L C 2.717 179.548 176.870 -0.064 0.000 1.095 147 L CA 1.212 56.019 54.840 -0.054 0.000 0.770 147 L CB -0.358 41.660 42.059 -0.069 0.000 0.914 147 L HN 0.202 nan 8.230 nan 0.000 0.439 148 K N 0.327 120.694 120.400 -0.056 0.000 2.026 148 K HA -0.164 4.156 4.320 0.000 0.000 0.208 148 K C 2.006 178.588 176.600 -0.031 0.000 1.048 148 K CA 1.584 57.839 56.287 -0.053 0.000 0.929 148 K CB -0.337 32.133 32.500 -0.050 0.000 0.713 148 K HN 0.307 nan 8.250 nan 0.000 0.439 149 G N 1.378 110.165 108.800 -0.022 0.000 2.422 149 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 149 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 149 G C 1.383 176.287 174.900 0.006 0.000 1.140 149 G CA 0.638 45.734 45.100 -0.007 0.000 0.775 149 G HN 0.300 nan 8.290 nan 0.000 0.545 150 L N 0.398 121.620 121.223 -0.000 0.000 1.994 150 L HA 0.133 4.473 4.340 0.000 0.000 0.208 150 L C 2.788 179.684 176.870 0.042 0.000 1.071 150 L CA 1.759 56.611 54.840 0.021 0.000 0.745 150 L CB -0.468 41.595 42.059 0.007 0.000 0.892 150 L HN 0.223 nan 8.230 nan 0.000 0.431 151 M N -0.746 118.847 119.600 -0.011 0.000 2.175 151 M HA -0.188 4.292 4.480 0.000 0.000 0.264 151 M C 2.007 178.380 176.300 0.121 0.000 1.063 151 M CA 1.746 57.060 55.300 0.024 0.000 1.119 151 M CB -0.474 32.007 32.600 -0.198 0.000 1.377 151 M HN 0.419 nan 8.290 nan 0.000 0.415 152 N N -0.242 118.493 118.700 0.058 0.000 2.166 152 N HA -0.153 4.587 4.740 0.000 0.000 0.186 152 N C 1.792 177.337 175.510 0.059 0.000 1.019 152 N CA 1.591 54.676 53.050 0.058 0.000 0.856 152 N CB -0.060 38.442 38.487 0.025 0.000 0.993 152 N HN 0.354 nan 8.380 nan 0.000 0.426 153 S N 0.910 116.644 115.700 0.056 0.000 2.387 153 S HA -0.010 4.460 4.470 0.000 0.000 0.226 153 S C 1.909 176.545 174.600 0.059 0.000 1.026 153 S CA 0.477 58.706 58.200 0.047 0.000 0.972 153 S CB -0.397 62.829 63.200 0.043 0.000 0.814 153 S HN 0.226 nan 8.310 nan 0.000 0.477 154 I N 0.592 121.223 120.570 0.103 0.000 2.252 154 I HA -0.080 4.090 4.170 0.000 0.000 0.245 154 I C 2.407 178.528 176.117 0.006 0.000 1.102 154 I CA 0.675 62.024 61.300 0.082 0.000 1.385 154 I CB -0.354 37.744 38.000 0.164 0.000 1.064 154 I HN 0.285 nan 8.210 nan 0.000 0.414 155 L N 1.068 122.333 121.223 0.071 0.000 2.042 155 L HA -0.179 4.161 4.340 0.000 0.000 0.210 155 L C 2.657 179.527 176.870 0.000 0.000 1.076 155 L CA 2.173 57.032 54.840 0.031 0.000 0.749 155 L CB -1.085 41.049 42.059 0.125 0.000 0.893 155 L HN 0.203 nan 8.230 nan 0.000 0.432 156 A N -1.554 121.271 122.820 0.008 0.000 1.933 156 A HA -0.275 4.045 4.320 0.000 0.000 0.218 156 A C 2.291 179.850 177.584 -0.042 0.000 1.175 156 A CA 1.745 53.767 52.037 -0.024 0.000 0.628 156 A CB -0.562 18.430 19.000 -0.015 0.000 0.814 156 A HN 0.578 nan 8.150 nan 0.000 0.444 157 Q N -0.487 119.297 119.800 -0.027 0.000 2.172 157 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 157 Q C 1.382 177.353 176.000 -0.049 0.000 0.964 157 Q CA 1.358 57.144 55.803 -0.029 0.000 0.855 157 Q CB -0.061 28.675 28.738 -0.005 0.000 0.918 157 Q HN 0.652 nan 8.270 nan 0.000 0.444 158 N N -0.248 118.409 118.700 -0.072 0.000 2.376 158 N HA -0.079 4.661 4.740 0.000 0.000 0.177 158 N C 1.740 177.197 175.510 -0.089 0.000 1.024 158 N CA 1.370 54.363 53.050 -0.096 0.000 0.893 158 N CB 0.151 38.542 38.487 -0.161 0.000 0.980 158 N HN 0.301 nan 8.380 nan 0.000 0.439 159 S N -1.307 114.341 115.700 -0.087 0.000 2.456 159 S HA 0.274 4.744 4.470 0.000 0.000 0.224 159 S C 1.512 176.032 174.600 -0.134 0.000 1.035 159 S CA 0.822 58.957 58.200 -0.109 0.000 0.940 159 S CB 0.545 63.662 63.200 -0.139 0.000 0.799 159 S HN 0.338 nan 8.310 nan 0.000 0.508 160 G N 0.536 109.265 108.800 -0.118 0.000 2.184 160 G HA2 -0.157 3.803 3.960 0.000 0.000 0.206 160 G HA3 -0.157 3.803 3.960 0.000 0.000 0.206 160 G C -0.053 174.770 174.900 -0.129 0.000 0.995 160 G CA -0.101 44.935 45.100 -0.106 0.000 0.651 160 G HN 0.495 nan 8.290 nan 0.000 0.511 161 Q N 0.920 120.614 119.800 -0.175 0.000 2.317 161 Q HA 0.563 4.903 4.340 0.000 0.000 0.229 161 Q C 0.839 176.780 176.000 -0.098 0.000 0.984 161 Q CA 0.445 56.139 55.803 -0.182 0.000 0.911 161 Q CB 1.384 29.950 28.738 -0.286 0.000 1.217 161 Q HN 0.783 nan 8.270 nan 0.000 0.501 162 S N -0.323 115.332 115.700 -0.076 0.000 2.646 162 S HA 0.294 4.764 4.470 0.000 0.000 0.276 162 S C 1.348 175.930 174.600 -0.032 0.000 1.222 162 S CA -0.740 57.434 58.200 -0.045 0.000 1.014 162 S CB 0.627 63.806 63.200 -0.036 0.000 0.991 162 S HN 0.618 nan 8.310 nan 0.000 0.533 163 L N 0.859 122.070 121.223 -0.019 0.000 1.978 163 L HA -0.202 4.138 4.340 0.000 0.000 0.218 163 L C 2.713 179.575 176.870 -0.013 0.000 1.075 163 L CA 2.005 56.839 54.840 -0.010 0.000 0.767 163 L CB -0.831 41.224 42.059 -0.006 0.000 0.890 163 L HN 0.732 nan 8.230 nan 0.000 0.434 164 E N -0.505 119.686 120.200 -0.016 0.000 2.114 164 E HA -0.309 4.041 4.350 0.000 0.000 0.199 164 E C 1.938 178.525 176.600 -0.022 0.000 1.008 164 E CA 1.425 57.814 56.400 -0.017 0.000 0.810 164 E CB -0.271 29.420 29.700 -0.016 0.000 0.739 164 E HN 0.363 nan 8.360 nan 0.000 0.456 165 Q N 0.211 119.997 119.800 -0.023 0.000 2.016 165 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 165 Q C 1.964 177.953 176.000 -0.018 0.000 0.978 165 Q CA 1.265 57.055 55.803 -0.021 0.000 0.833 165 Q CB -0.225 28.497 28.738 -0.027 0.000 0.895 165 Q HN 0.235 nan 8.270 nan 0.000 0.427 166 I N 0.680 121.248 120.570 -0.004 0.000 2.163 166 I HA -0.273 3.897 4.170 0.000 0.000 0.243 166 I C 2.222 178.326 176.117 -0.020 0.000 1.085 166 I CA 1.586 62.897 61.300 0.018 0.000 1.347 166 I CB -1.793 36.225 38.000 0.029 0.000 1.044 166 I HN 0.341 nan 8.210 nan 0.000 0.408 167 A N 0.766 123.573 122.820 -0.022 0.000 1.908 167 A HA -0.241 4.079 4.320 0.000 0.000 0.218 167 A C 2.365 179.918 177.584 -0.051 0.000 1.181 167 A CA 1.810 53.829 52.037 -0.029 0.000 0.627 167 A CB -0.517 18.470 19.000 -0.022 0.000 0.818 167 A HN 0.408 nan 8.150 nan 0.000 0.445 168 K N -0.479 119.883 120.400 -0.062 0.000 2.025 168 K HA -0.128 4.192 4.320 0.000 0.000 0.207 168 K C 1.512 178.025 176.600 -0.144 0.000 1.049 168 K CA 1.533 57.773 56.287 -0.080 0.000 0.933 168 K CB -0.253 32.206 32.500 -0.068 0.000 0.714 168 K HN 0.384 nan 8.250 nan 0.000 0.438 169 D N -0.041 120.211 120.400 -0.246 0.000 2.183 169 D HA -0.102 4.538 4.640 0.000 0.000 0.203 169 D C 1.763 177.852 176.300 -0.351 0.000 0.969 169 D CA 1.478 55.157 54.000 -0.535 0.000 0.842 169 D CB -0.355 39.821 40.800 -1.040 0.000 0.957 169 D HN 0.326 nan 8.370 nan 0.000 0.484 170 T N -2.091 112.364 114.554 -0.165 0.000 3.169 170 T HA -0.001 4.349 4.350 0.000 0.000 0.250 170 T C 1.289 175.979 174.700 -0.018 0.000 1.111 170 T CA 0.298 62.376 62.100 -0.037 0.000 1.010 170 T CB 0.143 69.021 68.868 0.015 0.000 0.984 170 T HN -0.089 nan 8.240 nan 0.000 0.537 171 D N 1.389 121.764 120.400 -0.043 0.000 2.117 171 D HA -0.043 4.597 4.640 0.000 0.000 0.197 171 D C 1.116 177.411 176.300 -0.009 0.000 0.987 171 D CA 0.985 54.968 54.000 -0.029 0.000 0.829 171 D CB 0.321 41.103 40.800 -0.030 0.000 0.961 171 D HN 0.414 nan 8.370 nan 0.000 0.460 172 R N -0.258 120.254 120.500 0.020 0.000 2.912 172 R HA 0.292 4.632 4.340 0.000 0.000 0.262 172 R C -1.145 175.220 176.300 0.109 0.000 1.057 172 R CA -0.942 55.192 56.100 0.058 0.000 0.981 172 R CB 0.985 31.323 30.300 0.063 0.000 1.201 172 R HN -0.022 nan 8.270 nan 0.000 0.484 173 D N 1.501 121.983 120.400 0.136 0.000 2.520 173 D HA -0.081 4.559 4.640 0.000 0.000 0.243 173 D C -0.910 175.477 176.300 0.144 0.000 1.160 173 D CA 0.942 55.003 54.000 0.102 0.000 0.877 173 D CB 0.080 40.950 40.800 0.117 0.000 1.150 173 D HN 0.142 nan 8.370 nan 0.000 0.494 174 F N 4.298 124.154 119.950 -0.157 0.000 2.308 174 F HA 0.269 4.796 4.527 0.000 0.000 0.370 174 F C -1.103 174.561 175.800 -0.228 0.000 1.100 174 F CA -0.985 56.934 58.000 -0.135 0.000 1.108 174 F CB -0.018 38.892 39.000 -0.151 0.000 1.293 174 F HN 0.183 nan 8.300 nan 0.000 0.478 175 Y N 6.758 126.898 120.300 -0.267 0.000 2.323 175 Y HA 0.583 5.133 4.550 0.000 0.000 0.331 175 Y C 0.402 176.026 175.900 -0.460 0.000 1.092 175 Y CA -0.527 57.401 58.100 -0.287 0.000 1.150 175 Y CB 1.355 39.725 38.460 -0.149 0.000 1.200 175 Y HN 0.585 nan 8.280 nan 0.000 0.472 176 M N 0.399 119.861 119.600 -0.229 0.000 2.683 176 M HA 0.700 5.180 4.480 0.000 0.000 0.274 176 M C -1.097 175.133 176.300 -0.116 0.000 1.272 176 M CA -1.052 54.092 55.300 -0.260 0.000 0.833 176 M CB 2.125 34.457 32.600 -0.446 0.000 1.708 176 M HN 0.451 nan 8.290 nan 0.000 0.463 177 S N 0.649 116.293 115.700 -0.093 0.000 2.646 177 S HA 0.708 5.178 4.470 0.000 0.000 0.276 177 S C 1.017 175.591 174.600 -0.043 0.000 1.222 177 S CA -0.198 57.974 58.200 -0.047 0.000 1.014 177 S CB 1.535 64.713 63.200 -0.036 0.000 0.991 177 S HN 1.007 nan 8.310 nan 0.000 0.533 178 A N 2.013 124.815 122.820 -0.030 0.000 1.903 178 A HA -0.203 4.117 4.320 0.000 0.000 0.219 178 A C 2.172 179.747 177.584 -0.014 0.000 1.191 178 A CA 2.156 54.181 52.037 -0.020 0.000 0.638 178 A CB -1.136 17.849 19.000 -0.025 0.000 0.823 178 A HN 0.942 nan 8.150 nan 0.000 0.451 179 K N -0.577 119.810 120.400 -0.022 0.000 2.009 179 K HA -0.220 4.100 4.320 0.000 0.000 0.210 179 K C 2.035 178.639 176.600 0.006 0.000 1.049 179 K CA 1.908 58.190 56.287 -0.008 0.000 0.929 179 K CB -0.219 32.272 32.500 -0.015 0.000 0.714 179 K HN 0.681 nan 8.250 nan 0.000 0.440 180 E N -0.264 119.931 120.200 -0.008 0.000 2.118 180 E HA -0.203 4.147 4.350 0.000 0.000 0.195 180 E C 1.899 178.521 176.600 0.036 0.000 0.992 180 E CA 1.024 57.423 56.400 -0.002 0.000 0.804 180 E CB -0.112 29.547 29.700 -0.069 0.000 0.741 180 E HN 0.392 nan 8.360 nan 0.000 0.458 181 A N 1.616 124.442 122.820 0.011 0.000 1.933 181 A HA -0.231 4.089 4.320 0.000 0.000 0.218 181 A C 2.064 179.704 177.584 0.092 0.000 1.175 181 A CA 1.529 53.596 52.037 0.050 0.000 0.628 181 A CB -0.321 18.683 19.000 0.007 0.000 0.814 181 A HN 0.064 nan 8.150 nan 0.000 0.444 182 K N -0.097 120.336 120.400 0.056 0.000 2.031 182 K HA -0.141 4.179 4.320 0.000 0.000 0.205 182 K C 1.820 178.458 176.600 0.063 0.000 1.049 182 K CA 1.422 57.737 56.287 0.046 0.000 0.939 182 K CB -0.184 32.334 32.500 0.030 0.000 0.717 182 K HN 0.614 nan 8.250 nan 0.000 0.438 183 E N -0.535 119.713 120.200 0.080 0.000 2.160 183 E HA -0.233 4.117 4.350 0.000 0.000 0.195 183 E C 1.793 178.472 176.600 0.132 0.000 0.991 183 E CA 1.243 57.697 56.400 0.089 0.000 0.810 183 E CB -0.183 29.575 29.700 0.097 0.000 0.742 183 E HN 0.347 nan 8.360 nan 0.000 0.466 184 Y N 0.006 120.325 120.300 0.032 0.000 2.337 184 Y HA -0.001 4.549 4.550 0.000 0.000 0.293 184 Y C 1.677 177.594 175.900 0.027 0.000 1.123 184 Y CA 1.493 59.626 58.100 0.055 0.000 1.201 184 Y CB 0.518 39.038 38.460 0.100 0.000 1.011 184 Y HN 0.120 nan 8.280 nan 0.000 0.545 185 G N -0.987 107.848 108.800 0.057 0.000 2.168 185 G HA2 -0.223 3.737 3.960 0.000 0.000 0.197 185 G HA3 -0.223 3.737 3.960 0.000 0.000 0.197 185 G C 0.878 175.775 174.900 -0.006 0.000 0.997 185 G CA 0.289 45.372 45.100 -0.028 0.000 0.658 185 G HN 0.357 nan 8.290 nan 0.000 0.513 186 L N 0.243 121.506 121.223 0.067 0.000 2.270 186 L HA 0.380 4.720 4.340 0.000 0.000 0.210 186 L C 1.574 178.423 176.870 -0.036 0.000 1.104 186 L CA 1.229 56.087 54.840 0.032 0.000 0.804 186 L CB -0.214 41.899 42.059 0.090 0.000 0.937 186 L HN 0.595 nan 8.230 nan 0.000 0.450 187 I N -5.941 114.610 120.570 -0.031 0.000 3.074 187 I HA 0.379 4.549 4.170 0.000 0.000 0.310 187 I C -0.290 175.784 176.117 -0.072 0.000 1.153 187 I CA -0.838 60.415 61.300 -0.078 0.000 0.993 187 I CB 1.903 39.871 38.000 -0.053 0.000 1.237 187 I HN -0.236 nan 8.210 nan 0.000 0.443 188 D N 1.045 121.371 120.400 -0.123 0.000 2.369 188 D HA 0.088 4.728 4.640 0.000 0.000 0.231 188 D C 0.230 176.539 176.300 0.014 0.000 0.967 188 D CA 1.072 55.026 54.000 -0.076 0.000 0.905 188 D CB 0.606 41.322 40.800 -0.140 0.000 1.044 188 D HN 0.478 nan 8.370 nan 0.000 0.487 189 K N 0.666 121.119 120.400 0.089 0.000 2.477 189 K HA 0.427 4.747 4.320 0.000 0.000 0.255 189 K C -1.626 175.100 176.600 0.211 0.000 0.952 189 K CA -0.539 55.866 56.287 0.197 0.000 0.826 189 K CB 2.971 35.672 32.500 0.335 0.000 1.331 189 K HN -0.300 nan 8.250 nan 0.000 0.437 190 V N 4.979 124.965 119.914 0.119 0.000 2.275 190 V HA 0.257 4.377 4.120 0.000 0.000 0.272 190 V C 0.104 176.224 176.094 0.045 0.000 1.028 190 V CA -0.757 61.589 62.300 0.077 0.000 0.810 190 V CB 0.785 32.622 31.823 0.023 0.000 1.043 190 V HN 0.640 nan 8.190 nan 0.000 0.453 191 L N 6.680 127.927 121.223 0.040 0.000 2.617 191 L HA 0.192 4.532 4.340 0.000 0.000 0.282 191 L C 0.906 177.767 176.870 -0.014 0.000 1.174 191 L CA 0.351 55.172 54.840 -0.031 0.000 1.016 191 L CB -0.438 41.567 42.059 -0.090 0.000 1.337 191 L HN 0.771 nan 8.230 nan 0.000 0.460 192 Q N 0.000 119.789 119.800 -0.019 0.000 2.315 192 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 192 Q CA 0.000 55.788 55.803 -0.025 0.000 1.022 192 Q CB 0.000 28.709 28.738 -0.048 0.000 1.108 192 Q HN 0.000 nan 8.270 nan 0.000 0.481