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 1m0z_1_A DATA FIRST_RESID 1 DATA SEQUENCE HPIcEVSKXX XHLEVNcDKR QLTALPPDLP KDTTILHLSE NLLYTFSLAT DATA SEQUENCE LMPYTRLTQL NLDRCELTKL QVDGTLPVLG TLDLSHNQLQ SLPLLGQTLP DATA SEQUENCE ALTVLDVSFN RLTSLPLGAL RGLGELQELY LKGNELKTLP PGLLTPTPKL DATA SEQUENCE EKLSLANNQL TELPAGLLNG LENLDTLLLQ ENSLYTIPKG FFGSHLLPFA DATA SEQUENCE FLHGNPWLcN cEILYFRRWL QDNAENVYVW KQGVXXXXMT SNVASVQcDN DATA SEQUENCE SDKFPVYKYP GKGcPT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.329 175.328 0.002 0.000 0.993 1 H CA 0.000 56.050 56.048 0.003 0.000 1.023 1 H CB 0.000 29.762 29.762 0.001 0.000 1.292 2 P HA -0.003 nan 4.420 nan 0.000 0.220 2 P C 0.962 178.244 177.300 -0.031 0.000 1.148 2 P CA 1.071 64.044 63.100 -0.212 0.000 0.803 2 P CB 0.462 31.991 31.700 -0.285 0.000 0.782 3 I N -3.189 117.485 120.570 0.172 0.000 3.565 3 I HA 0.032 4.202 4.170 -0.000 0.000 0.287 3 I C 0.647 176.878 176.117 0.189 0.000 1.193 3 I CA 0.490 61.915 61.300 0.209 0.000 1.402 3 I CB -0.302 37.834 38.000 0.226 0.000 1.284 3 I HN -0.152 nan 8.210 nan 0.000 0.454 4 c N 1.147 119.909 118.600 0.270 0.000 2.397 4 c HA 0.496 5.065 4.570 -0.000 0.000 0.343 4 c C 0.164 174.300 174.090 0.077 0.000 1.188 4 c CA -1.054 55.315 56.329 0.067 0.000 1.992 4 c CB 0.936 43.391 42.510 -0.090 0.000 2.358 4 c HN 0.275 nan 8.230 nan 0.000 0.518 5 E N 0.834 121.054 120.200 0.034 0.000 2.259 5 E HA 0.471 4.821 4.350 -0.000 0.000 0.281 5 E C -0.924 175.688 176.600 0.021 0.000 1.027 5 E CA -0.241 56.178 56.400 0.032 0.000 0.838 5 E CB 1.109 30.818 29.700 0.016 0.000 1.066 5 E HN 0.419 nan 8.360 nan 0.000 0.401 6 V N 2.183 122.112 119.914 0.025 0.000 2.581 6 V HA 0.406 4.525 4.120 -0.000 0.000 0.303 6 V C -0.142 175.954 176.094 0.004 0.000 1.041 6 V CA -0.595 61.712 62.300 0.010 0.000 0.907 6 V CB 1.815 33.647 31.823 0.016 0.000 0.994 6 V HN 0.610 nan 8.190 nan 0.000 0.442 7 S N 3.933 119.631 115.700 -0.004 0.000 2.557 7 S HA 0.676 5.146 4.470 -0.000 0.000 0.291 7 S C -0.804 173.767 174.600 -0.049 0.000 1.116 7 S CA -0.666 57.528 58.200 -0.010 0.000 0.992 7 S CB 1.396 64.605 63.200 0.013 0.000 1.028 7 S HN 0.841 nan 8.310 nan 0.000 0.484 13 L N 2.460 123.671 121.223 -0.019 0.000 2.457 13 L HA 0.389 4.729 4.340 -0.000 0.000 0.266 13 L C -0.316 176.537 176.870 -0.029 0.000 0.979 13 L CA -0.130 54.672 54.840 -0.062 0.000 0.857 13 L CB 1.711 43.740 42.059 -0.050 0.000 1.213 13 L HN 0.826 nan 8.230 nan 0.000 0.418 14 E N 3.511 123.703 120.200 -0.013 0.000 2.174 14 E HA 0.577 4.927 4.350 -0.000 0.000 0.282 14 E C -1.485 175.115 176.600 0.000 0.000 0.992 14 E CA -0.583 55.819 56.400 0.003 0.000 0.803 14 E CB 1.355 31.097 29.700 0.070 0.000 1.090 14 E HN 0.455 nan 8.360 nan 0.000 0.396 15 V N 4.849 124.743 119.914 -0.033 0.000 2.409 15 V HA 0.254 4.374 4.120 -0.000 0.000 0.291 15 V C -0.698 175.416 176.094 0.033 0.000 1.020 15 V CA -0.978 61.298 62.300 -0.041 0.000 0.848 15 V CB 1.437 33.177 31.823 -0.139 0.000 0.990 15 V HN 0.655 nan 8.190 nan 0.000 0.430 16 N N 2.865 121.598 118.700 0.057 0.000 2.527 16 N HA 0.339 5.079 4.740 -0.000 0.000 0.236 16 N C 0.025 175.540 175.510 0.008 0.000 0.999 16 N CA -0.271 52.824 53.050 0.075 0.000 0.935 16 N CB 0.985 39.485 38.487 0.023 0.000 1.132 16 N HN 0.691 nan 8.380 nan 0.000 0.511 17 c N 0.819 119.419 118.600 -0.000 0.000 2.881 17 c HA 0.146 4.715 4.570 -0.000 0.000 0.290 17 c C 0.427 174.502 174.090 -0.026 0.000 1.362 17 c CA -0.662 55.648 56.329 -0.032 0.000 1.757 17 c CB -1.630 40.837 42.510 -0.071 0.000 2.265 17 c HN 0.673 nan 8.230 nan 0.000 0.600 18 D N 0.670 121.060 120.400 -0.017 0.000 2.358 18 D HA 0.057 4.697 4.640 -0.000 0.000 0.244 18 D C 0.105 176.381 176.300 -0.041 0.000 1.163 18 D CA -0.030 53.949 54.000 -0.034 0.000 0.945 18 D CB 0.405 41.177 40.800 -0.048 0.000 1.152 18 D HN 0.281 nan 8.370 nan 0.000 0.451 19 K N -0.484 119.889 120.400 -0.046 0.000 3.177 19 K HA -0.260 4.060 4.320 -0.000 0.000 0.266 19 K C 0.396 176.976 176.600 -0.033 0.000 0.937 19 K CA 0.491 56.753 56.287 -0.042 0.000 0.702 19 K CB -1.216 31.257 32.500 -0.045 0.000 1.365 19 K HN 0.427 nan 8.250 nan 0.000 0.466 20 R N 0.604 121.086 120.500 -0.031 0.000 2.577 20 R HA 0.054 4.394 4.340 -0.000 0.000 0.344 20 R C -0.039 176.248 176.300 -0.021 0.000 1.037 20 R CA -0.183 55.904 56.100 -0.021 0.000 1.102 20 R CB 0.439 30.732 30.300 -0.013 0.000 1.313 20 R HN 0.214 nan 8.270 nan 0.000 0.561 21 Q N -0.397 119.385 119.800 -0.030 0.000 2.439 21 Q HA -0.235 4.104 4.340 -0.000 0.000 0.247 21 Q C -0.546 175.431 176.000 -0.039 0.000 0.899 21 Q CA 0.986 56.770 55.803 -0.031 0.000 1.201 21 Q CB -2.097 26.631 28.738 -0.015 0.000 1.608 21 Q HN 0.446 nan 8.270 nan 0.000 0.563 22 L N 1.091 122.288 121.223 -0.043 0.000 2.499 22 L HA 0.028 4.367 4.340 -0.000 0.000 0.273 22 L C 1.890 178.716 176.870 -0.073 0.000 1.195 22 L CA 1.164 55.981 54.840 -0.039 0.000 0.882 22 L CB 0.258 42.299 42.059 -0.031 0.000 1.133 22 L HN 0.249 nan 8.230 nan 0.000 0.483 23 T N -1.214 113.309 114.554 -0.052 0.000 3.040 23 T HA 0.519 4.869 4.350 -0.000 0.000 0.250 23 T C 0.341 175.023 174.700 -0.030 0.000 1.058 23 T CA 0.266 62.316 62.100 -0.084 0.000 0.988 23 T CB 0.477 69.323 68.868 -0.037 0.000 0.993 23 T HN 0.698 nan 8.240 nan 0.000 0.519 24 A N 0.587 123.418 122.820 0.018 0.000 2.566 24 A HA 0.626 4.946 4.320 -0.000 0.000 0.290 24 A C -1.520 176.131 177.584 0.111 0.000 1.071 24 A CA -1.074 51.013 52.037 0.083 0.000 0.658 24 A CB 0.232 19.270 19.000 0.063 0.000 1.285 24 A HN 0.365 nan 8.150 nan 0.000 0.427 25 L N 1.532 122.869 121.223 0.190 0.000 2.513 25 L HA 0.419 4.759 4.340 -0.000 0.000 0.272 25 L C -2.195 174.737 176.870 0.103 0.000 1.187 25 L CA -0.629 54.323 54.840 0.186 0.000 0.895 25 L CB -0.227 41.987 42.059 0.259 0.000 1.147 25 L HN 0.418 nan 8.230 nan 0.000 0.483 26 P HA 0.243 nan 4.420 nan 0.000 0.271 26 P C -2.500 174.868 177.300 0.113 0.000 1.220 26 P CA -0.805 62.346 63.100 0.085 0.000 0.768 26 P CB 0.184 31.923 31.700 0.064 0.000 0.848 27 P HA 0.032 nan 4.420 nan 0.000 0.272 27 P C -0.499 176.940 177.300 0.232 0.000 1.230 27 P CA 0.182 63.375 63.100 0.155 0.000 0.788 27 P CB 0.230 31.995 31.700 0.109 0.000 0.949 28 D N -0.188 120.342 120.400 0.217 0.000 2.803 28 D HA -0.170 4.469 4.640 -0.000 0.000 0.233 28 D C -0.264 176.228 176.300 0.320 0.000 1.182 28 D CA 0.886 55.029 54.000 0.239 0.000 0.726 28 D CB -0.991 39.910 40.800 0.168 0.000 0.987 28 D HN 0.252 nan 8.370 nan 0.000 0.412 29 L N -0.205 121.181 121.223 0.272 0.000 2.439 29 L HA 0.345 4.685 4.340 -0.000 0.000 0.259 29 L C -1.584 175.419 176.870 0.221 0.000 1.129 29 L CA -1.806 53.058 54.840 0.039 0.000 0.803 29 L CB 0.088 41.962 42.059 -0.309 0.000 1.161 29 L HN -0.200 nan 8.230 nan 0.000 0.462 30 P HA -0.045 nan 4.420 nan 0.000 0.261 30 P C -0.121 177.324 177.300 0.242 0.000 1.183 30 P CA 0.139 63.319 63.100 0.134 0.000 0.761 30 P CB 0.539 32.269 31.700 0.050 0.000 0.785 31 K N 2.729 123.250 120.400 0.203 0.000 2.152 31 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 31 K C 0.673 177.380 176.600 0.179 0.000 1.048 31 K CA 1.672 58.065 56.287 0.176 0.000 0.933 31 K CB -0.280 32.255 32.500 0.059 0.000 0.721 31 K HN 0.386 nan 8.250 nan 0.000 0.447 32 D N 0.246 120.718 120.400 0.120 0.000 2.395 32 D HA 0.020 4.660 4.640 -0.000 0.000 0.226 32 D C -0.486 175.854 176.300 0.067 0.000 1.146 32 D CA 0.157 54.206 54.000 0.082 0.000 0.830 32 D CB 0.093 40.919 40.800 0.042 0.000 0.958 32 D HN 0.060 nan 8.370 nan 0.000 0.501 33 T N 0.389 114.992 114.554 0.081 0.000 2.905 33 T HA 0.020 4.370 4.350 -0.000 0.000 0.299 33 T C 1.431 176.131 174.700 0.000 0.000 1.024 33 T CA 0.704 62.797 62.100 -0.012 0.000 1.151 33 T CB 1.279 70.059 68.868 -0.146 0.000 0.987 33 T HN 0.047 nan 8.240 nan 0.000 0.535 34 T N 2.707 117.248 114.554 -0.022 0.000 3.026 34 T HA 0.304 4.654 4.350 -0.000 0.000 0.245 34 T C 0.637 175.306 174.700 -0.051 0.000 1.004 34 T CA 0.209 62.304 62.100 -0.008 0.000 1.069 34 T CB 0.324 69.206 68.868 0.024 0.000 1.005 34 T HN 0.464 nan 8.240 nan 0.000 0.472 35 I N 2.105 122.617 120.570 -0.097 0.000 2.447 35 I HA 0.465 4.635 4.170 -0.000 0.000 0.287 35 I C -1.635 174.306 176.117 -0.293 0.000 1.023 35 I CA -1.027 60.157 61.300 -0.193 0.000 1.083 35 I CB 2.413 40.301 38.000 -0.187 0.000 1.245 35 I HN 0.020 nan 8.210 nan 0.000 0.434 36 L N 6.949 127.971 121.223 -0.335 0.000 2.319 36 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 36 L C -0.772 175.883 176.870 -0.358 0.000 1.005 36 L CA -0.170 54.482 54.840 -0.314 0.000 0.828 36 L CB 0.558 42.470 42.059 -0.244 0.000 1.227 36 L HN 0.425 nan 8.230 nan 0.000 0.415 37 H N 7.289 126.295 119.070 -0.105 0.000 2.690 37 H HA 0.320 4.876 4.556 -0.000 0.000 0.289 37 H C 0.266 175.524 175.328 -0.117 0.000 1.089 37 H CA -0.106 55.884 56.048 -0.097 0.000 1.299 37 H CB 1.569 31.286 29.762 -0.075 0.000 1.405 37 H HN 0.678 nan 8.280 nan 0.000 0.463 38 L N 1.733 122.929 121.223 -0.045 0.000 2.808 38 L HA 0.099 4.439 4.340 -0.000 0.000 0.246 38 L C 0.585 177.403 176.870 -0.087 0.000 1.153 38 L CA 0.001 54.779 54.840 -0.104 0.000 0.956 38 L CB 0.437 42.363 42.059 -0.221 0.000 1.270 38 L HN 0.308 nan 8.230 nan 0.000 0.528 39 S N 1.002 116.680 115.700 -0.038 0.000 2.554 39 S HA -0.050 4.420 4.470 -0.000 0.000 0.290 39 S C 0.400 174.969 174.600 -0.051 0.000 1.309 39 S CA 0.030 58.207 58.200 -0.038 0.000 1.047 39 S CB 0.133 63.325 63.200 -0.013 0.000 0.828 39 S HN 0.381 nan 8.310 nan 0.000 0.509 40 E N 0.766 120.935 120.200 -0.052 0.000 2.291 40 E HA -0.232 4.118 4.350 -0.000 0.000 0.181 40 E C -0.376 176.189 176.600 -0.058 0.000 1.480 40 E CA 0.218 56.586 56.400 -0.054 0.000 0.674 40 E CB -1.344 28.322 29.700 -0.056 0.000 1.108 40 E HN 0.508 nan 8.360 nan 0.000 0.357 41 N N 0.043 118.700 118.700 -0.071 0.000 3.278 41 N HA 0.529 5.269 4.740 -0.000 0.000 0.307 41 N C -0.515 174.917 175.510 -0.129 0.000 1.551 41 N CA -0.695 52.301 53.050 -0.090 0.000 0.794 41 N CB 0.927 39.357 38.487 -0.096 0.000 1.770 41 N HN 0.047 nan 8.380 nan 0.000 0.612 42 L N 2.130 123.231 121.223 -0.203 0.000 2.679 42 L HA 0.404 4.744 4.340 -0.000 0.000 0.238 42 L C 1.227 177.693 176.870 -0.672 0.000 1.330 42 L CA -0.033 54.553 54.840 -0.423 0.000 0.935 42 L CB 0.333 42.179 42.059 -0.356 0.000 1.243 42 L HN 0.332 nan 8.230 nan 0.000 0.484 43 L N -0.287 120.680 121.223 -0.427 0.000 2.095 43 L HA -0.019 4.320 4.340 -0.000 0.000 0.204 43 L C 1.223 177.982 176.870 -0.186 0.000 1.080 43 L CA 1.313 56.004 54.840 -0.249 0.000 0.759 43 L CB -0.328 41.707 42.059 -0.041 0.000 0.914 43 L HN 0.503 nan 8.230 nan 0.000 0.439 44 Y N -0.933 119.406 120.300 0.065 0.000 2.802 44 Y HA -0.400 4.150 4.550 -0.000 0.000 0.485 44 Y C 0.952 176.897 175.900 0.074 0.000 1.190 44 Y CA 1.041 59.176 58.100 0.058 0.000 2.757 44 Y CB -1.420 37.068 38.460 0.047 0.000 0.919 44 Y HN 0.453 nan 8.280 nan 0.000 0.540 45 T N -2.185 112.513 114.554 0.240 0.000 2.916 45 T HA 0.661 5.011 4.350 -0.000 0.000 0.305 45 T C -1.318 173.525 174.700 0.239 0.000 1.119 45 T CA -0.554 61.661 62.100 0.191 0.000 1.008 45 T CB 2.857 71.807 68.868 0.137 0.000 1.129 45 T HN 0.315 nan 8.240 nan 0.000 0.480 46 F N 0.970 120.942 119.950 0.036 0.000 2.619 46 F HA 0.709 5.236 4.527 -0.000 0.000 0.308 46 F C -0.877 174.937 175.800 0.024 0.000 1.097 46 F CA -0.487 57.527 58.000 0.023 0.000 0.953 46 F CB 2.466 41.475 39.000 0.014 0.000 1.287 46 F HN 0.795 nan 8.300 nan 0.000 0.446 47 S N 5.486 120.810 115.700 -0.626 0.000 2.596 47 S HA 0.435 4.905 4.470 -0.000 0.000 0.318 47 S C 0.736 175.093 174.600 -0.405 0.000 1.097 47 S CA -0.685 57.307 58.200 -0.346 0.000 1.080 47 S CB 0.774 63.815 63.200 -0.265 0.000 0.991 47 S HN 0.772 nan 8.310 nan 0.000 0.471 48 L N 3.984 125.170 121.223 -0.063 0.000 2.187 48 L HA -0.088 4.252 4.340 -0.000 0.000 0.213 48 L C 2.774 179.643 176.870 -0.002 0.000 1.100 48 L CA 1.457 56.333 54.840 0.060 0.000 0.765 48 L CB -0.658 41.466 42.059 0.108 0.000 0.904 48 L HN 0.825 nan 8.230 nan 0.000 0.437 49 A N 0.328 123.116 122.820 -0.053 0.000 2.024 49 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 49 A C 2.373 179.927 177.584 -0.050 0.000 1.164 49 A CA 2.069 54.081 52.037 -0.042 0.000 0.643 49 A CB -0.879 18.091 19.000 -0.050 0.000 0.806 49 A HN 0.542 nan 8.150 nan 0.000 0.451 50 T N -2.279 112.208 114.554 -0.113 0.000 3.051 50 T HA 0.063 4.413 4.350 -0.000 0.000 0.269 50 T C 1.311 176.045 174.700 0.057 0.000 1.127 50 T CA 1.244 63.295 62.100 -0.081 0.000 1.107 50 T CB -0.369 68.377 68.868 -0.204 0.000 0.898 50 T HN 0.340 nan 8.240 nan 0.000 0.517 51 L N -0.557 120.733 121.223 0.111 0.000 2.640 51 L HA 0.390 4.730 4.340 -0.000 0.000 0.230 51 L C 2.503 179.489 176.870 0.193 0.000 1.123 51 L CA -0.123 54.886 54.840 0.282 0.000 0.900 51 L CB -0.370 41.858 42.059 0.280 0.000 1.146 51 L HN 0.211 nan 8.230 nan 0.000 0.484 52 M N 0.384 120.016 119.600 0.054 0.000 2.195 52 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 52 M C -0.411 175.835 176.300 -0.090 0.000 1.066 52 M CA 2.074 57.372 55.300 -0.003 0.000 1.089 52 M CB -1.270 31.316 32.600 -0.023 0.000 1.377 52 M HN 0.111 nan 8.290 nan 0.000 0.411 53 P HA -0.141 nan 4.420 nan 0.000 0.221 53 P C -0.359 176.615 177.300 -0.543 0.000 1.145 53 P CA 1.158 63.988 63.100 -0.449 0.000 0.795 53 P CB -0.143 31.159 31.700 -0.662 0.000 0.775 54 Y N -0.338 119.966 120.300 0.007 0.000 2.724 54 Y HA 0.128 4.678 4.550 -0.000 0.000 0.332 54 Y C 1.694 177.597 175.900 0.005 0.000 1.276 54 Y CA -0.399 57.703 58.100 0.005 0.000 1.597 54 Y CB -0.766 37.696 38.460 0.004 0.000 1.584 54 Y HN -0.065 nan 8.280 nan 0.000 0.478 55 T N -2.487 112.097 114.554 0.050 0.000 3.077 55 T HA -0.110 4.239 4.350 -0.000 0.000 0.269 55 T C 1.372 176.104 174.700 0.053 0.000 1.146 55 T CA 0.938 63.061 62.100 0.039 0.000 1.091 55 T CB -0.058 68.815 68.868 0.008 0.000 0.892 55 T HN 0.534 nan 8.240 nan 0.000 0.533 56 R N -0.345 120.200 120.500 0.076 0.000 2.472 56 R HA 0.375 4.715 4.340 -0.000 0.000 0.279 56 R C -0.248 176.086 176.300 0.056 0.000 0.953 56 R CA -0.529 55.607 56.100 0.059 0.000 1.088 56 R CB 0.149 30.483 30.300 0.056 0.000 1.197 56 R HN 0.280 nan 8.270 nan 0.000 0.536 57 L N 2.036 123.303 121.223 0.074 0.000 2.534 57 L HA -0.008 4.332 4.340 -0.000 0.000 0.271 57 L C 1.122 178.008 176.870 0.027 0.000 1.178 57 L CA 1.145 56.013 54.840 0.046 0.000 0.907 57 L CB 1.051 43.153 42.059 0.072 0.000 1.164 57 L HN 0.144 nan 8.230 nan 0.000 0.482 58 T N 0.801 115.359 114.554 0.006 0.000 2.959 58 T HA 0.169 4.519 4.350 -0.000 0.000 0.254 58 T C 0.446 175.140 174.700 -0.009 0.000 1.003 58 T CA -0.046 62.058 62.100 0.006 0.000 0.950 58 T CB 0.027 68.901 68.868 0.010 0.000 1.090 58 T HN 0.565 nan 8.240 nan 0.000 0.503 59 Q N 0.539 120.318 119.800 -0.036 0.000 2.285 59 Q HA 0.627 4.967 4.340 -0.000 0.000 0.269 59 Q C -2.317 173.622 176.000 -0.102 0.000 1.030 59 Q CA -1.064 54.704 55.803 -0.059 0.000 0.788 59 Q CB 2.037 30.732 28.738 -0.071 0.000 1.266 59 Q HN 0.304 nan 8.270 nan 0.000 0.438 60 L N 4.324 125.499 121.223 -0.079 0.000 2.372 60 L HA 0.579 4.919 4.340 -0.000 0.000 0.274 60 L C -1.877 174.936 176.870 -0.094 0.000 0.988 60 L CA -0.235 54.544 54.840 -0.100 0.000 0.833 60 L CB 1.762 43.789 42.059 -0.053 0.000 1.236 60 L HN 0.605 nan 8.230 nan 0.000 0.410 61 N N 6.469 125.098 118.700 -0.118 0.000 2.476 61 N HA 0.397 5.137 4.740 -0.000 0.000 0.257 61 N C -0.257 175.193 175.510 -0.100 0.000 0.970 61 N CA -0.180 52.833 53.050 -0.062 0.000 0.938 61 N CB 2.077 40.580 38.487 0.026 0.000 1.144 61 N HN 0.677 nan 8.380 nan 0.000 0.500 62 L N 1.242 122.399 121.223 -0.111 0.000 3.110 62 L HA 0.134 4.474 4.340 -0.000 0.000 0.266 62 L C 0.427 177.250 176.870 -0.078 0.000 1.257 62 L CA -0.412 54.329 54.840 -0.165 0.000 1.038 62 L CB 0.009 41.922 42.059 -0.242 0.000 1.395 62 L HN 0.429 nan 8.230 nan 0.000 0.566 63 D N 0.690 121.075 120.400 -0.024 0.000 2.362 63 D HA 0.025 4.665 4.640 -0.000 0.000 0.242 63 D C 0.129 176.441 176.300 0.020 0.000 1.132 63 D CA -0.444 53.574 54.000 0.031 0.000 0.907 63 D CB 0.637 41.479 40.800 0.070 0.000 1.195 63 D HN 0.067 nan 8.370 nan 0.000 0.429 64 R N 0.478 121.016 120.500 0.065 0.000 3.264 64 R HA -0.156 4.184 4.340 -0.000 0.000 0.251 64 R C -0.199 176.099 176.300 -0.003 0.000 0.971 64 R CA 0.253 56.373 56.100 0.033 0.000 0.658 64 R CB -2.485 27.803 30.300 -0.020 0.000 1.095 64 R HN 0.502 nan 8.270 nan 0.000 0.443 65 C N 0.380 119.679 119.300 -0.001 0.000 3.125 65 C HA 0.120 4.580 4.460 -0.000 0.000 0.284 65 C C 0.728 175.717 174.990 -0.003 0.000 1.386 65 C CA -0.326 58.669 59.018 -0.039 0.000 1.763 65 C CB -0.141 27.548 27.740 -0.086 0.000 2.377 65 C HN 0.654 nan 8.230 nan 0.000 0.620 66 E N 0.184 120.424 120.200 0.066 0.000 2.722 66 E HA -0.205 4.145 4.350 -0.000 0.000 0.265 66 E C -0.206 176.517 176.600 0.205 0.000 1.081 66 E CA 0.550 57.047 56.400 0.162 0.000 0.781 66 E CB -1.608 28.255 29.700 0.272 0.000 1.372 66 E HN 0.670 nan 8.360 nan 0.000 0.423 67 L N 0.937 122.235 121.223 0.126 0.000 2.455 67 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 67 L C 1.961 178.904 176.870 0.121 0.000 1.174 67 L CA 1.181 56.100 54.840 0.131 0.000 0.869 67 L CB 0.466 42.578 42.059 0.088 0.000 1.130 67 L HN 0.199 nan 8.230 nan 0.000 0.474 68 T N -1.737 112.893 114.554 0.126 0.000 2.959 68 T HA 0.245 4.595 4.350 -0.000 0.000 0.254 68 T C 0.369 175.112 174.700 0.072 0.000 1.003 68 T CA -0.229 61.922 62.100 0.084 0.000 0.950 68 T CB 0.483 69.391 68.868 0.066 0.000 1.090 68 T HN 0.298 nan 8.240 nan 0.000 0.503 69 K N 0.556 121.010 120.400 0.090 0.000 2.525 69 K HA 0.716 5.035 4.320 -0.000 0.000 0.254 69 K C -2.257 174.403 176.600 0.099 0.000 0.934 69 K CA -0.604 55.730 56.287 0.078 0.000 0.802 69 K CB 2.531 35.072 32.500 0.068 0.000 1.295 69 K HN 0.156 nan 8.250 nan 0.000 0.433 70 L N 2.705 123.979 121.223 0.085 0.000 2.372 70 L HA 0.440 4.780 4.340 -0.000 0.000 0.273 70 L C -1.224 175.690 176.870 0.072 0.000 0.989 70 L CA -0.035 54.868 54.840 0.106 0.000 0.841 70 L CB 1.576 43.697 42.059 0.103 0.000 1.225 70 L HN 0.595 nan 8.230 nan 0.000 0.414 71 Q N 3.639 123.474 119.800 0.058 0.000 2.267 71 Q HA 0.603 4.943 4.340 -0.000 0.000 0.255 71 Q C -1.096 174.918 176.000 0.024 0.000 0.923 71 Q CA -0.555 55.262 55.803 0.023 0.000 0.925 71 Q CB 2.266 30.998 28.738 -0.010 0.000 1.195 71 Q HN 0.504 nan 8.270 nan 0.000 0.417 72 V N 3.494 123.419 119.914 0.019 0.000 2.443 72 V HA 0.457 4.577 4.120 -0.000 0.000 0.293 72 V C -0.654 175.445 176.094 0.008 0.000 1.021 72 V CA -0.606 61.707 62.300 0.022 0.000 0.848 72 V CB 1.546 33.386 31.823 0.029 0.000 0.998 72 V HN 0.782 nan 8.190 nan 0.000 0.424 73 D N 2.248 122.650 120.400 0.002 0.000 2.615 73 D HA 0.663 5.303 4.640 -0.000 0.000 0.267 73 D C 0.297 176.596 176.300 -0.002 0.000 1.236 73 D CA 0.619 54.617 54.000 -0.003 0.000 0.839 73 D CB 2.358 43.150 40.800 -0.013 0.000 1.380 73 D HN 0.925 nan 8.370 nan 0.000 0.433 74 G N -0.016 108.782 108.800 -0.003 0.000 2.593 74 G HA2 0.005 3.965 3.960 -0.000 0.000 0.237 74 G HA3 0.005 3.965 3.960 -0.000 0.000 0.237 74 G C -0.461 174.442 174.900 0.006 0.000 1.312 74 G CA 0.151 45.249 45.100 -0.002 0.000 0.896 74 G HN 0.771 nan 8.290 nan 0.000 0.574 75 T N -0.465 114.094 114.554 0.008 0.000 3.032 75 T HA 0.607 4.957 4.350 -0.000 0.000 0.312 75 T C -0.645 174.069 174.700 0.022 0.000 1.078 75 T CA -0.449 61.659 62.100 0.014 0.000 1.028 75 T CB 0.879 69.752 68.868 0.008 0.000 1.091 75 T HN 1.039 nan 8.240 nan 0.000 0.457 76 L N 7.669 128.910 121.223 0.030 0.000 2.495 76 L HA 0.367 4.707 4.340 -0.000 0.000 0.248 76 L C -1.401 175.488 176.870 0.031 0.000 1.229 76 L CA -1.908 52.956 54.840 0.040 0.000 0.942 76 L CB 1.687 43.779 42.059 0.055 0.000 1.242 76 L HN 0.511 nan 8.230 nan 0.000 0.484 77 P HA -0.187 nan 4.420 nan 0.000 0.218 77 P C 0.965 178.277 177.300 0.020 0.000 1.146 77 P CA 1.433 64.545 63.100 0.019 0.000 0.813 77 P CB 0.303 32.013 31.700 0.015 0.000 0.778 78 V N -4.732 115.196 119.914 0.024 0.000 3.176 78 V HA 0.310 4.430 4.120 -0.000 0.000 0.332 78 V C 0.518 176.626 176.094 0.023 0.000 1.414 78 V CA -0.848 61.466 62.300 0.023 0.000 1.133 78 V CB -0.661 31.176 31.823 0.024 0.000 1.088 78 V HN -0.153 nan 8.190 nan 0.000 0.473 79 L N 2.709 123.948 121.223 0.026 0.000 2.418 79 L HA 0.663 5.003 4.340 -0.000 0.000 0.274 79 L C 1.305 178.187 176.870 0.020 0.000 1.135 79 L CA 1.277 56.131 54.840 0.024 0.000 0.870 79 L CB 1.072 43.149 42.059 0.030 0.000 1.154 79 L HN 0.239 nan 8.230 nan 0.000 0.462 80 G N 2.772 111.582 108.800 0.017 0.000 2.709 80 G HA2 0.075 4.035 3.960 -0.000 0.000 0.208 80 G HA3 0.075 4.035 3.960 -0.000 0.000 0.208 80 G C 0.211 175.125 174.900 0.022 0.000 1.129 80 G CA 0.263 45.374 45.100 0.019 0.000 0.793 80 G HN 0.549 nan 8.290 nan 0.000 0.524 81 T N 0.639 115.204 114.554 0.018 0.000 2.848 81 T HA 0.547 4.896 4.350 -0.000 0.000 0.285 81 T C -1.712 172.997 174.700 0.015 0.000 0.995 81 T CA -0.335 61.779 62.100 0.023 0.000 0.970 81 T CB 2.446 71.327 68.868 0.021 0.000 0.976 81 T HN 0.072 nan 8.240 nan 0.000 0.441 82 L N 3.410 124.648 121.223 0.025 0.000 2.372 82 L HA 0.628 4.968 4.340 -0.000 0.000 0.274 82 L C -1.380 175.505 176.870 0.024 0.000 0.988 82 L CA -0.472 54.378 54.840 0.018 0.000 0.833 82 L CB 1.531 43.605 42.059 0.025 0.000 1.236 82 L HN 0.485 nan 8.230 nan 0.000 0.410 83 D N 4.883 125.288 120.400 0.008 0.000 2.414 83 D HA 0.350 4.990 4.640 -0.000 0.000 0.232 83 D C -0.069 176.234 176.300 0.006 0.000 1.070 83 D CA -0.049 53.961 54.000 0.015 0.000 0.839 83 D CB 1.141 41.950 40.800 0.015 0.000 1.079 83 D HN 0.660 nan 8.370 nan 0.000 0.521 84 L N 2.547 123.780 121.223 0.017 0.000 3.014 84 L HA 0.151 4.491 4.340 -0.000 0.000 0.263 84 L C 0.879 177.766 176.870 0.028 0.000 1.207 84 L CA -0.348 54.501 54.840 0.014 0.000 1.017 84 L CB 0.270 42.340 42.059 0.017 0.000 1.360 84 L HN 0.275 nan 8.230 nan 0.000 0.560 85 S N -1.096 114.627 115.700 0.039 0.000 2.584 85 S HA 0.079 4.549 4.470 -0.000 0.000 0.270 85 S C 0.530 175.195 174.600 0.109 0.000 1.346 85 S CA -0.157 58.061 58.200 0.030 0.000 1.018 85 S CB 0.183 63.401 63.200 0.031 0.000 0.899 85 S HN 0.453 nan 8.310 nan 0.000 0.542 86 H N 0.688 119.842 119.070 0.140 0.000 2.750 86 H HA -0.105 4.451 4.556 -0.000 0.000 0.327 86 H C -0.281 175.084 175.328 0.062 0.000 1.199 86 H CA 0.851 56.959 56.048 0.100 0.000 1.149 86 H CB -1.980 27.798 29.762 0.026 0.000 1.543 86 H HN 0.692 nan 8.280 nan 0.000 0.427 87 N N 0.130 118.909 118.700 0.132 0.000 3.343 87 N HA 0.252 4.991 4.740 -0.000 0.000 0.330 87 N C 0.319 175.880 175.510 0.086 0.000 1.560 87 N CA -0.605 52.505 53.050 0.100 0.000 0.752 87 N CB 0.975 39.505 38.487 0.073 0.000 1.863 87 N HN 0.265 nan 8.380 nan 0.000 0.636 88 Q N 0.900 120.745 119.800 0.076 0.000 2.217 88 Q HA 0.405 4.745 4.340 -0.000 0.000 0.340 88 Q C -0.690 175.338 176.000 0.047 0.000 0.893 88 Q CA -0.136 55.703 55.803 0.060 0.000 1.142 88 Q CB 0.587 29.362 28.738 0.061 0.000 1.288 88 Q HN 0.339 nan 8.270 nan 0.000 0.426 89 L N 0.919 122.167 121.223 0.041 0.000 2.416 89 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 89 L C 1.327 178.208 176.870 0.018 0.000 1.161 89 L CA 0.455 55.315 54.840 0.033 0.000 0.845 89 L CB 0.661 42.739 42.059 0.030 0.000 1.119 89 L HN 0.322 nan 8.230 nan 0.000 0.464 90 Q N 0.984 120.794 119.800 0.015 0.000 2.392 90 Q HA 0.086 4.426 4.340 -0.000 0.000 0.219 90 Q C 0.080 176.080 176.000 0.000 0.000 0.895 90 Q CA 0.188 55.995 55.803 0.005 0.000 0.929 90 Q CB 0.886 29.628 28.738 0.006 0.000 1.077 90 Q HN 0.812 nan 8.270 nan 0.000 0.532 91 S N -0.241 115.462 115.700 0.005 0.000 2.569 91 S HA 0.567 5.037 4.470 -0.000 0.000 0.280 91 S C -1.191 173.412 174.600 0.005 0.000 1.111 91 S CA -0.994 57.207 58.200 0.002 0.000 0.887 91 S CB 1.923 65.125 63.200 0.003 0.000 1.095 91 S HN 0.112 nan 8.310 nan 0.000 0.476 92 L N 3.288 124.511 121.223 -0.000 0.000 2.265 92 L HA 0.639 4.979 4.340 -0.000 0.000 0.289 92 L C -2.361 174.513 176.870 0.006 0.000 1.033 92 L CA -1.675 53.167 54.840 0.003 0.000 0.814 92 L CB 0.799 42.854 42.059 -0.006 0.000 1.203 92 L HN 0.612 nan 8.230 nan 0.000 0.423 93 P HA 0.163 nan 4.420 nan 0.000 0.276 93 P C -0.839 176.468 177.300 0.011 0.000 1.252 93 P CA -0.536 62.572 63.100 0.014 0.000 0.802 93 P CB 0.903 32.617 31.700 0.023 0.000 1.035 94 L N 1.938 123.166 121.223 0.008 0.000 2.418 94 L HA 0.126 4.466 4.340 -0.000 0.000 0.274 94 L C 1.617 178.493 176.870 0.010 0.000 1.135 94 L CA -0.127 54.717 54.840 0.006 0.000 0.870 94 L CB -0.046 42.015 42.059 0.003 0.000 1.154 94 L HN 0.340 nan 8.230 nan 0.000 0.462 95 L N 2.721 123.950 121.223 0.010 0.000 2.515 95 L HA 0.133 4.473 4.340 -0.000 0.000 0.223 95 L C 2.408 179.286 176.870 0.012 0.000 1.079 95 L CA 0.518 55.367 54.840 0.015 0.000 0.857 95 L CB -0.244 41.826 42.059 0.018 0.000 1.050 95 L HN 0.863 nan 8.230 nan 0.000 0.476 96 G N 1.213 110.017 108.800 0.007 0.000 2.574 96 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.220 96 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.220 96 G C 1.480 176.384 174.900 0.007 0.000 1.173 96 G CA 1.190 46.293 45.100 0.005 0.000 0.772 96 G HN 0.476 nan 8.290 nan 0.000 0.585 97 Q N -0.019 119.785 119.800 0.006 0.000 2.364 97 Q HA -0.028 4.312 4.340 -0.000 0.000 0.207 97 Q C 1.780 177.785 176.000 0.008 0.000 0.970 97 Q CA 1.923 57.730 55.803 0.006 0.000 0.888 97 Q CB -0.845 27.895 28.738 0.004 0.000 0.951 97 Q HN 0.407 nan 8.270 nan 0.000 0.469 98 T N 0.464 115.025 114.554 0.012 0.000 3.023 98 T HA 0.311 4.661 4.350 -0.000 0.000 0.249 98 T C 0.786 175.498 174.700 0.020 0.000 1.050 98 T CA 0.033 62.142 62.100 0.016 0.000 1.088 98 T CB 0.287 69.167 68.868 0.021 0.000 0.946 98 T HN 0.169 nan 8.240 nan 0.000 0.480 99 L N 2.683 123.917 121.223 0.019 0.000 2.784 99 L HA 0.290 4.630 4.340 -0.000 0.000 0.241 99 L C -1.640 175.239 176.870 0.015 0.000 1.352 99 L CA -1.543 53.309 54.840 0.021 0.000 0.911 99 L CB 0.983 43.057 42.059 0.024 0.000 1.227 99 L HN -0.041 nan 8.230 nan 0.000 0.501 100 P HA -0.206 nan 4.420 nan 0.000 0.219 100 P C 1.151 178.458 177.300 0.010 0.000 1.146 100 P CA 1.293 64.399 63.100 0.010 0.000 0.808 100 P CB 0.490 32.195 31.700 0.009 0.000 0.779 101 A N -1.149 121.679 122.820 0.013 0.000 2.275 101 A HA 0.149 4.469 4.320 -0.000 0.000 0.212 101 A C 0.960 178.552 177.584 0.014 0.000 1.201 101 A CA -0.326 51.719 52.037 0.013 0.000 0.843 101 A CB -0.934 18.075 19.000 0.015 0.000 0.873 101 A HN 0.142 nan 8.150 nan 0.000 0.492 102 L N 1.480 122.712 121.223 0.015 0.000 2.601 102 L HA 0.076 4.416 4.340 -0.000 0.000 0.277 102 L C 1.600 178.479 176.870 0.014 0.000 1.219 102 L CA 1.703 56.553 54.840 0.016 0.000 0.915 102 L CB 0.702 42.771 42.059 0.016 0.000 1.160 102 L HN 0.418 nan 8.230 nan 0.000 0.494 103 T N 0.575 115.141 114.554 0.019 0.000 2.955 103 T HA 0.278 4.628 4.350 -0.000 0.000 0.251 103 T C 0.237 174.953 174.700 0.026 0.000 1.002 103 T CA 0.002 62.112 62.100 0.018 0.000 0.970 103 T CB 0.202 69.082 68.868 0.021 0.000 1.091 103 T HN 0.199 nan 8.240 nan 0.000 0.495 104 V N 2.324 122.263 119.914 0.043 0.000 2.525 104 V HA 0.700 4.820 4.120 -0.000 0.000 0.299 104 V C -1.486 174.656 176.094 0.080 0.000 1.034 104 V CA -0.973 61.374 62.300 0.079 0.000 0.863 104 V CB 1.773 33.664 31.823 0.114 0.000 0.999 104 V HN 0.440 nan 8.190 nan 0.000 0.423 105 L N 4.348 125.622 121.223 0.085 0.000 2.372 105 L HA 0.757 5.097 4.340 -0.000 0.000 0.274 105 L C -1.069 175.884 176.870 0.139 0.000 0.988 105 L CA 0.091 54.977 54.840 0.076 0.000 0.833 105 L CB 1.691 43.766 42.059 0.028 0.000 1.236 105 L HN 0.654 nan 8.230 nan 0.000 0.410 106 D N 3.848 124.330 120.400 0.136 0.000 2.440 106 D HA 0.416 5.056 4.640 -0.000 0.000 0.239 106 D C -0.541 175.796 176.300 0.062 0.000 1.084 106 D CA -0.149 53.943 54.000 0.154 0.000 0.843 106 D CB 1.755 42.614 40.800 0.097 0.000 1.097 106 D HN 0.330 nan 8.370 nan 0.000 0.531 107 V N 2.321 122.255 119.914 0.034 0.000 2.909 107 V HA 0.189 4.308 4.120 -0.000 0.000 0.362 107 V C 0.665 176.721 176.094 -0.065 0.000 1.356 107 V CA -0.501 61.794 62.300 -0.009 0.000 1.195 107 V CB 0.054 31.869 31.823 -0.013 0.000 1.256 107 V HN 0.396 nan 8.190 nan 0.000 0.567 108 S N 0.717 116.366 115.700 -0.085 0.000 2.579 108 S HA 0.467 4.937 4.470 -0.000 0.000 0.275 108 S C 0.256 174.708 174.600 -0.246 0.000 1.345 108 S CA -0.174 57.872 58.200 -0.257 0.000 1.031 108 S CB -0.100 62.966 63.200 -0.224 0.000 0.892 108 S HN 0.504 nan 8.310 nan 0.000 0.529 109 F N 0.547 120.353 119.950 -0.240 0.000 2.891 109 F HA -0.238 4.289 4.527 -0.000 0.000 0.272 109 F C 0.662 176.373 175.800 -0.149 0.000 1.004 109 F CA 0.180 58.031 58.000 -0.248 0.000 0.938 109 F CB -1.699 36.981 39.000 -0.532 0.000 0.939 109 F HN 0.539 nan 8.300 nan 0.000 0.833 110 N N 0.243 118.926 118.700 -0.028 0.000 3.255 110 N HA 0.541 5.281 4.740 -0.000 0.000 0.359 110 N C 0.389 175.898 175.510 -0.002 0.000 1.463 110 N CA -0.824 52.230 53.050 0.006 0.000 0.695 110 N CB 1.165 39.645 38.487 -0.011 0.000 1.581 110 N HN 0.212 nan 8.380 nan 0.000 0.622 111 R N 0.784 121.283 120.500 -0.001 0.000 2.734 111 R HA 0.387 4.726 4.340 -0.000 0.000 0.395 111 R C -0.605 175.686 176.300 -0.015 0.000 1.096 111 R CA -0.209 55.888 56.100 -0.005 0.000 1.071 111 R CB 0.108 30.415 30.300 0.011 0.000 1.348 111 R HN 0.349 nan 8.270 nan 0.000 0.600 112 L N 1.552 122.757 121.223 -0.029 0.000 2.462 112 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 112 L C 1.525 178.374 176.870 -0.034 0.000 1.166 112 L CA 0.374 55.196 54.840 -0.030 0.000 0.880 112 L CB 0.755 42.789 42.059 -0.041 0.000 1.142 112 L HN 0.274 nan 8.230 nan 0.000 0.473 113 T N -2.503 112.036 114.554 -0.025 0.000 3.069 113 T HA 0.179 4.529 4.350 -0.000 0.000 0.252 113 T C 0.482 175.166 174.700 -0.028 0.000 1.053 113 T CA 0.224 62.309 62.100 -0.026 0.000 0.964 113 T CB 0.148 69.005 68.868 -0.018 0.000 1.005 113 T HN 0.669 nan 8.240 nan 0.000 0.532 114 S N 0.108 115.792 115.700 -0.028 0.000 2.627 114 S HA 0.596 5.065 4.470 -0.000 0.000 0.268 114 S C -1.927 172.657 174.600 -0.026 0.000 1.130 114 S CA -1.261 56.922 58.200 -0.028 0.000 0.819 114 S CB 0.705 63.892 63.200 -0.022 0.000 1.100 114 S HN 0.245 nan 8.310 nan 0.000 0.465 115 L N 1.821 123.028 121.223 -0.027 0.000 2.346 115 L HA 0.671 5.011 4.340 -0.000 0.000 0.276 115 L C -2.222 174.637 176.870 -0.020 0.000 1.006 115 L CA -2.177 52.648 54.840 -0.025 0.000 0.817 115 L CB 2.190 44.230 42.059 -0.030 0.000 1.272 115 L HN 0.611 nan 8.230 nan 0.000 0.421 116 P HA 0.183 nan 4.420 nan 0.000 0.274 116 P C -0.629 176.663 177.300 -0.014 0.000 1.237 116 P CA -0.488 62.604 63.100 -0.013 0.000 0.793 116 P CB 0.971 32.665 31.700 -0.009 0.000 0.977 117 L N 0.888 122.104 121.223 -0.012 0.000 2.485 117 L HA 0.179 4.519 4.340 -0.000 0.000 0.275 117 L C 1.752 178.615 176.870 -0.011 0.000 1.207 117 L CA 0.758 55.590 54.840 -0.012 0.000 0.855 117 L CB -0.722 41.331 42.059 -0.011 0.000 1.114 117 L HN 0.848 nan 8.230 nan 0.000 0.485 118 G N 2.097 110.890 108.800 -0.012 0.000 2.203 118 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 118 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 118 G C 1.084 175.978 174.900 -0.011 0.000 1.012 118 G CA 0.632 45.725 45.100 -0.011 0.000 0.749 118 G HN 0.962 nan 8.290 nan 0.000 0.512 119 A N -0.499 122.313 122.820 -0.013 0.000 1.892 119 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 119 A C 2.159 179.736 177.584 -0.011 0.000 1.188 119 A CA 1.789 53.819 52.037 -0.012 0.000 0.631 119 A CB -0.236 18.755 19.000 -0.016 0.000 0.822 119 A HN 1.012 nan 8.150 nan 0.000 0.447 120 L N -0.825 120.390 121.223 -0.015 0.000 2.685 120 L HA 0.164 4.504 4.340 -0.000 0.000 0.233 120 L C 1.043 177.906 176.870 -0.011 0.000 1.173 120 L CA -0.465 54.367 54.840 -0.015 0.000 0.961 120 L CB -0.358 41.688 42.059 -0.022 0.000 1.217 120 L HN 0.338 nan 8.230 nan 0.000 0.478 121 R N 1.269 121.763 120.500 -0.009 0.000 2.538 121 R HA 0.141 4.481 4.340 -0.000 0.000 0.282 121 R C 1.183 177.480 176.300 -0.005 0.000 1.009 121 R CA 1.230 57.326 56.100 -0.007 0.000 1.063 121 R CB 0.268 30.564 30.300 -0.006 0.000 0.945 121 R HN 0.362 nan 8.270 nan 0.000 0.414 122 G N 3.499 112.297 108.800 -0.004 0.000 2.199 122 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 122 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 122 G C 0.265 175.164 174.900 -0.001 0.000 0.982 122 G CA 0.208 45.307 45.100 -0.002 0.000 0.632 122 G HN 0.560 nan 8.290 nan 0.000 0.529 123 L N 2.283 123.504 121.223 -0.004 0.000 2.796 123 L HA 0.417 4.757 4.340 -0.000 0.000 0.235 123 L C 2.143 179.009 176.870 -0.006 0.000 1.344 123 L CA 0.212 55.050 54.840 -0.004 0.000 1.245 123 L CB -0.031 42.024 42.059 -0.007 0.000 1.556 123 L HN 0.222 nan 8.230 nan 0.000 0.423 124 G N -0.380 108.418 108.800 -0.004 0.000 2.470 124 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.220 124 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.220 124 G C 1.286 176.184 174.900 -0.003 0.000 1.121 124 G CA 0.310 45.408 45.100 -0.004 0.000 0.766 124 G HN 0.371 nan 8.290 nan 0.000 0.553 125 E N -0.501 119.698 120.200 -0.001 0.000 2.474 125 E HA 0.135 4.485 4.350 -0.000 0.000 0.195 125 E C 0.485 177.084 176.600 -0.002 0.000 1.039 125 E CA -0.551 55.849 56.400 0.001 0.000 0.881 125 E CB 0.149 29.852 29.700 0.005 0.000 0.970 125 E HN 0.286 nan 8.360 nan 0.000 0.486 126 L N 1.662 122.881 121.223 -0.008 0.000 2.559 126 L HA -0.109 4.231 4.340 -0.000 0.000 0.274 126 L C 1.108 177.965 176.870 -0.022 0.000 1.205 126 L CA 1.014 55.846 54.840 -0.015 0.000 0.907 126 L CB 0.465 42.510 42.059 -0.024 0.000 1.153 126 L HN -0.026 nan 8.230 nan 0.000 0.490 127 Q N 2.516 122.304 119.800 -0.020 0.000 2.369 127 Q HA 0.263 4.603 4.340 -0.000 0.000 0.254 127 Q C -0.481 175.486 176.000 -0.055 0.000 0.858 127 Q CA 0.205 55.994 55.803 -0.024 0.000 0.961 127 Q CB 0.859 29.598 28.738 0.001 0.000 1.119 127 Q HN 0.671 nan 8.270 nan 0.000 0.538 128 E N 0.893 121.049 120.200 -0.074 0.000 2.263 128 E HA 0.434 4.784 4.350 -0.000 0.000 0.268 128 E C -1.832 174.599 176.600 -0.281 0.000 0.884 128 E CA -0.591 55.689 56.400 -0.201 0.000 0.766 128 E CB 2.535 32.199 29.700 -0.059 0.000 1.196 128 E HN -0.121 nan 8.360 nan 0.000 0.416 129 L N 3.618 124.554 121.223 -0.478 0.000 2.406 129 L HA 0.413 4.753 4.340 -0.000 0.000 0.270 129 L C -2.021 174.540 176.870 -0.515 0.000 0.982 129 L CA -0.512 54.120 54.840 -0.347 0.000 0.843 129 L CB 0.585 42.526 42.059 -0.196 0.000 1.225 129 L HN 0.445 nan 8.230 nan 0.000 0.412 130 Y N 5.911 126.173 120.300 -0.064 0.000 2.342 130 Y HA 0.527 5.076 4.550 -0.000 0.000 0.338 130 Y C 0.427 176.248 175.900 -0.132 0.000 0.965 130 Y CA -0.557 57.482 58.100 -0.101 0.000 1.159 130 Y CB 1.459 39.866 38.460 -0.088 0.000 1.157 130 Y HN 0.477 nan 8.280 nan 0.000 0.486 131 L N 3.132 124.317 121.223 -0.063 0.000 3.358 131 L HA 0.256 4.596 4.340 -0.000 0.000 0.301 131 L C 0.353 177.086 176.870 -0.229 0.000 1.276 131 L CA -0.236 54.527 54.840 -0.128 0.000 1.028 131 L CB 0.467 42.459 42.059 -0.112 0.000 1.421 131 L HN 0.473 nan 8.230 nan 0.000 0.604 132 K N 1.085 121.306 120.400 -0.299 0.000 2.414 132 K HA 0.254 4.574 4.320 -0.000 0.000 0.272 132 K C 1.057 177.181 176.600 -0.793 0.000 0.993 132 K CA 0.970 56.968 56.287 -0.481 0.000 0.964 132 K CB 0.552 32.748 32.500 -0.508 0.000 0.925 132 K HN 0.196 nan 8.250 nan 0.000 0.487 133 G N 2.414 110.804 108.800 -0.684 0.000 2.272 133 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.280 133 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.280 133 G C -0.412 174.265 174.900 -0.371 0.000 1.067 133 G CA 0.185 44.890 45.100 -0.658 0.000 0.902 133 G HN 0.754 nan 8.290 nan 0.000 0.500 134 N N -0.582 117.967 118.700 -0.252 0.000 3.124 134 N HA 0.454 5.194 4.740 -0.000 0.000 0.350 134 N C 0.278 175.728 175.510 -0.100 0.000 1.411 134 N CA -0.550 52.410 53.050 -0.150 0.000 0.729 134 N CB 0.717 39.120 38.487 -0.140 0.000 1.379 134 N HN 0.279 nan 8.380 nan 0.000 0.599 135 E N 0.720 120.876 120.200 -0.073 0.000 3.385 135 E HA 0.306 4.656 4.350 -0.000 0.000 0.206 135 E C -0.662 175.905 176.600 -0.054 0.000 0.997 135 E CA -0.085 56.282 56.400 -0.055 0.000 1.278 135 E CB 0.334 30.013 29.700 -0.035 0.000 1.165 135 E HN 0.273 nan 8.360 nan 0.000 0.452 136 L N 1.020 122.202 121.223 -0.068 0.000 2.380 136 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 136 L C 1.070 177.903 176.870 -0.061 0.000 1.138 136 L CA -0.099 54.704 54.840 -0.063 0.000 0.832 136 L CB 0.733 42.748 42.059 -0.072 0.000 1.124 136 L HN -0.020 nan 8.230 nan 0.000 0.454 137 K N 0.374 120.743 120.400 -0.051 0.000 2.306 137 K HA 0.149 4.469 4.320 -0.000 0.000 0.200 137 K C 0.351 176.920 176.600 -0.051 0.000 1.083 137 K CA 0.532 56.790 56.287 -0.047 0.000 0.959 137 K CB 0.611 33.091 32.500 -0.034 0.000 0.994 137 K HN 0.811 nan 8.250 nan 0.000 0.492 138 T N -2.082 112.444 114.554 -0.047 0.000 2.864 138 T HA 0.673 5.023 4.350 -0.000 0.000 0.299 138 T C -0.823 173.850 174.700 -0.045 0.000 1.166 138 T CA -1.001 61.069 62.100 -0.049 0.000 1.007 138 T CB 1.266 70.112 68.868 -0.037 0.000 1.219 138 T HN -0.103 nan 8.240 nan 0.000 0.506 139 L N 1.655 122.852 121.223 -0.043 0.000 2.342 139 L HA 0.633 4.972 4.340 -0.000 0.000 0.271 139 L C -2.130 174.723 176.870 -0.029 0.000 1.008 139 L CA -2.481 52.337 54.840 -0.037 0.000 0.818 139 L CB 2.079 44.117 42.059 -0.035 0.000 1.296 139 L HN 0.570 nan 8.230 nan 0.000 0.427 140 P HA 0.184 nan 4.420 nan 0.000 0.271 140 P C -2.646 174.642 177.300 -0.021 0.000 1.218 140 P CA -1.161 61.925 63.100 -0.022 0.000 0.780 140 P CB 0.003 31.690 31.700 -0.021 0.000 0.901 141 P HA 0.024 nan 4.420 nan 0.000 0.269 141 P C 0.796 178.084 177.300 -0.019 0.000 1.209 141 P CA 0.618 63.708 63.100 -0.018 0.000 0.776 141 P CB 0.102 31.792 31.700 -0.017 0.000 0.876 142 G N 1.390 110.178 108.800 -0.020 0.000 2.179 142 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 142 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 142 G C 0.590 175.476 174.900 -0.023 0.000 1.010 142 G CA 0.322 45.409 45.100 -0.022 0.000 0.736 142 G HN 0.574 nan 8.290 nan 0.000 0.513 143 L N -0.254 120.954 121.223 -0.025 0.000 2.013 143 L HA 0.051 4.391 4.340 -0.000 0.000 0.212 143 L C 2.350 179.201 176.870 -0.032 0.000 1.073 143 L CA 2.596 57.419 54.840 -0.028 0.000 0.753 143 L CB -0.211 41.830 42.059 -0.030 0.000 0.890 143 L HN 0.410 nan 8.230 nan 0.000 0.432 144 L N -1.351 119.850 121.223 -0.038 0.000 2.653 144 L HA 0.075 4.415 4.340 -0.000 0.000 0.231 144 L C 1.783 178.631 176.870 -0.036 0.000 1.153 144 L CA 0.101 54.916 54.840 -0.043 0.000 0.933 144 L CB -0.701 41.324 42.059 -0.058 0.000 1.175 144 L HN 0.166 nan 8.230 nan 0.000 0.473 145 T N 0.703 115.240 114.554 -0.029 0.000 2.788 145 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 145 T C -0.452 174.237 174.700 -0.019 0.000 1.044 145 T CA 1.282 63.368 62.100 -0.022 0.000 1.139 145 T CB -0.708 68.149 68.868 -0.018 0.000 0.867 145 T HN 0.272 nan 8.240 nan 0.000 0.454 146 P HA 0.079 nan 4.420 nan 0.000 0.241 146 P C 0.437 177.727 177.300 -0.017 0.000 1.191 146 P CA 0.838 63.929 63.100 -0.015 0.000 0.771 146 P CB -0.054 31.637 31.700 -0.014 0.000 0.929 147 T N -4.105 110.435 114.554 -0.023 0.000 3.427 147 T HA 0.270 4.620 4.350 -0.000 0.000 0.306 147 T C -1.865 172.818 174.700 -0.029 0.000 1.733 147 T CA -2.006 60.078 62.100 -0.026 0.000 1.599 147 T CB 0.570 69.417 68.868 -0.035 0.000 0.964 147 T HN -0.001 nan 8.240 nan 0.000 0.701 148 P HA -0.023 nan 4.420 nan 0.000 0.226 148 P C 0.743 178.033 177.300 -0.017 0.000 1.153 148 P CA 0.715 63.805 63.100 -0.017 0.000 0.777 148 P CB 0.183 31.880 31.700 -0.005 0.000 0.794 149 K N -0.654 119.737 120.400 -0.016 0.000 2.417 149 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 149 K C 0.655 177.243 176.600 -0.021 0.000 1.023 149 K CA -0.559 55.721 56.287 -0.012 0.000 1.122 149 K CB -0.210 32.288 32.500 -0.004 0.000 0.850 149 K HN 0.081 nan 8.250 nan 0.000 0.521 150 L N 2.121 123.321 121.223 -0.037 0.000 2.540 150 L HA -0.092 4.248 4.340 -0.000 0.000 0.276 150 L C 0.839 177.681 176.870 -0.047 0.000 1.212 150 L CA 1.096 55.904 54.840 -0.053 0.000 0.893 150 L CB 0.408 42.423 42.059 -0.073 0.000 1.138 150 L HN 0.160 nan 8.230 nan 0.000 0.491 151 E N 3.184 123.362 120.200 -0.037 0.000 2.399 151 E HA 0.148 4.498 4.350 -0.000 0.000 0.205 151 E C -0.367 176.230 176.600 -0.005 0.000 0.906 151 E CA 0.149 56.545 56.400 -0.008 0.000 0.998 151 E CB 0.536 30.247 29.700 0.017 0.000 1.002 151 E HN 0.501 nan 8.360 nan 0.000 0.501 152 K N 1.221 121.585 120.400 -0.060 0.000 2.443 152 K HA 0.471 4.791 4.320 -0.000 0.000 0.252 152 K C -1.567 174.903 176.600 -0.216 0.000 0.933 152 K CA -0.775 55.457 56.287 -0.091 0.000 0.792 152 K CB 2.727 35.175 32.500 -0.086 0.000 1.185 152 K HN -0.134 nan 8.250 nan 0.000 0.425 153 L N 1.401 122.534 121.223 -0.149 0.000 2.406 153 L HA 0.430 4.770 4.340 -0.000 0.000 0.272 153 L C -1.210 175.579 176.870 -0.134 0.000 0.980 153 L CA -0.083 54.652 54.840 -0.174 0.000 0.831 153 L CB 2.086 44.090 42.059 -0.091 0.000 1.253 153 L HN 0.595 nan 8.230 nan 0.000 0.406 154 S N 5.342 120.926 115.700 -0.193 0.000 2.530 154 S HA 0.636 5.106 4.470 -0.000 0.000 0.322 154 S C -0.062 174.459 174.600 -0.131 0.000 1.085 154 S CA -0.476 57.647 58.200 -0.128 0.000 1.096 154 S CB 0.575 63.740 63.200 -0.059 0.000 0.988 154 S HN 0.730 nan 8.310 nan 0.000 0.466 155 L N 3.780 124.932 121.223 -0.118 0.000 3.229 155 L HA 0.465 4.805 4.340 -0.000 0.000 0.286 155 L C 0.956 177.735 176.870 -0.151 0.000 1.239 155 L CA -0.394 54.371 54.840 -0.124 0.000 1.035 155 L CB 0.179 42.189 42.059 -0.081 0.000 1.408 155 L HN 0.699 nan 8.230 nan 0.000 0.593 156 A N -0.135 122.568 122.820 -0.195 0.000 2.448 156 A HA 0.208 4.527 4.320 -0.000 0.000 0.239 156 A C 0.710 178.152 177.584 -0.235 0.000 1.080 156 A CA 0.159 52.062 52.037 -0.225 0.000 0.779 156 A CB -0.168 18.632 19.000 -0.333 0.000 1.026 156 A HN 0.617 nan 8.150 nan 0.000 0.499 157 N N 0.430 119.019 118.700 -0.185 0.000 2.725 157 N HA -0.154 4.586 4.740 -0.000 0.000 0.251 157 N C -0.202 175.218 175.510 -0.151 0.000 1.031 157 N CA 1.417 54.378 53.050 -0.150 0.000 0.720 157 N CB -1.145 37.254 38.487 -0.147 0.000 0.930 157 N HN 0.722 nan 8.380 nan 0.000 0.543 158 N N -0.131 118.488 118.700 -0.135 0.000 3.124 158 N HA 0.398 5.138 4.740 -0.000 0.000 0.350 158 N C -0.178 175.276 175.510 -0.093 0.000 1.411 158 N CA -0.385 52.594 53.050 -0.117 0.000 0.729 158 N CB 0.461 38.876 38.487 -0.121 0.000 1.379 158 N HN 0.074 nan 8.380 nan 0.000 0.599 159 Q N 0.804 120.554 119.800 -0.083 0.000 2.215 159 Q HA 0.436 4.776 4.340 -0.000 0.000 0.337 159 Q C -0.885 175.068 176.000 -0.078 0.000 0.887 159 Q CA -0.129 55.630 55.803 -0.073 0.000 1.134 159 Q CB 0.401 29.107 28.738 -0.053 0.000 1.303 159 Q HN 0.350 nan 8.270 nan 0.000 0.421 160 L N 0.879 122.043 121.223 -0.099 0.000 2.499 160 L HA 0.048 4.388 4.340 -0.000 0.000 0.273 160 L C 1.237 178.036 176.870 -0.117 0.000 1.195 160 L CA 0.675 55.451 54.840 -0.107 0.000 0.882 160 L CB 0.551 42.535 42.059 -0.125 0.000 1.133 160 L HN 0.442 nan 8.230 nan 0.000 0.483 161 T N -1.650 112.850 114.554 -0.089 0.000 2.990 161 T HA 0.267 4.617 4.350 -0.000 0.000 0.249 161 T C 0.398 175.007 174.700 -0.151 0.000 1.039 161 T CA -0.164 61.906 62.100 -0.051 0.000 1.036 161 T CB 0.471 69.368 68.868 0.048 0.000 0.994 161 T HN 0.525 nan 8.240 nan 0.000 0.489 162 E N -0.107 119.991 120.200 -0.171 0.000 2.392 162 E HA 0.707 5.056 4.350 -0.000 0.000 0.279 162 E C -1.756 174.719 176.600 -0.208 0.000 0.964 162 E CA -0.625 55.634 56.400 -0.235 0.000 0.777 162 E CB 2.321 31.935 29.700 -0.144 0.000 1.249 162 E HN 0.170 nan 8.360 nan 0.000 0.449 163 L N 2.153 123.217 121.223 -0.264 0.000 2.365 163 L HA 0.611 4.950 4.340 -0.000 0.000 0.273 163 L C -2.299 174.495 176.870 -0.127 0.000 1.000 163 L CA -2.228 52.479 54.840 -0.222 0.000 0.819 163 L CB 1.695 43.481 42.059 -0.455 0.000 1.284 163 L HN 0.299 nan 8.230 nan 0.000 0.418 164 P HA 0.061 nan 4.420 nan 0.000 0.267 164 P C 0.279 177.629 177.300 0.085 0.000 1.205 164 P CA -0.064 63.044 63.100 0.012 0.000 0.765 164 P CB 1.130 32.839 31.700 0.015 0.000 0.828 165 A N 3.989 126.828 122.820 0.032 0.000 1.948 165 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 165 A C 1.947 179.555 177.584 0.041 0.000 1.177 165 A CA 2.078 54.147 52.037 0.053 0.000 0.636 165 A CB -1.401 17.585 19.000 -0.022 0.000 0.815 165 A HN 0.635 nan 8.150 nan 0.000 0.449 166 G N -1.322 107.474 108.800 -0.007 0.000 3.371 166 G HA2 0.298 4.258 3.960 -0.000 0.000 0.248 166 G HA3 0.298 4.258 3.960 -0.000 0.000 0.248 166 G C 1.025 175.877 174.900 -0.080 0.000 1.161 166 G CA 0.424 45.490 45.100 -0.056 0.000 0.796 166 G HN 0.369 nan 8.290 nan 0.000 0.539 167 L N 0.340 121.529 121.223 -0.057 0.000 2.051 167 L HA -0.064 4.276 4.340 -0.000 0.000 0.214 167 L C 2.160 178.932 176.870 -0.164 0.000 1.076 167 L CA 1.825 56.624 54.840 -0.068 0.000 0.758 167 L CB -0.071 42.025 42.059 0.062 0.000 0.890 167 L HN 0.255 nan 8.230 nan 0.000 0.433 168 L N -0.490 120.541 121.223 -0.319 0.000 2.611 168 L HA 0.124 4.464 4.340 -0.000 0.000 0.229 168 L C 0.241 177.084 176.870 -0.045 0.000 1.137 168 L CA -0.526 54.161 54.840 -0.256 0.000 0.901 168 L CB -0.805 41.004 42.059 -0.418 0.000 1.098 168 L HN 0.190 nan 8.230 nan 0.000 0.456 169 N N 1.598 120.271 118.700 -0.045 0.000 2.412 169 N HA 0.116 4.856 4.740 -0.000 0.000 0.258 169 N C 1.341 176.869 175.510 0.030 0.000 1.236 169 N CA 1.229 54.288 53.050 0.015 0.000 0.882 169 N CB 1.001 39.474 38.487 -0.024 0.000 1.066 169 N HN 0.323 nan 8.380 nan 0.000 0.465 170 G N 1.177 110.023 108.800 0.076 0.000 2.234 170 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 170 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 170 G C 0.111 175.043 174.900 0.053 0.000 0.987 170 G CA -0.127 45.007 45.100 0.056 0.000 0.625 170 G HN 0.512 nan 8.290 nan 0.000 0.532 171 L N 1.538 122.775 121.223 0.023 0.000 2.395 171 L HA 0.280 4.620 4.340 -0.000 0.000 0.268 171 L C 1.475 178.299 176.870 -0.077 0.000 1.223 171 L CA -0.179 54.605 54.840 -0.093 0.000 1.093 171 L CB 0.100 42.016 42.059 -0.239 0.000 1.349 171 L HN 0.331 nan 8.230 nan 0.000 0.427 172 E N 0.576 120.800 120.200 0.040 0.000 2.358 172 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 172 E C 0.701 177.332 176.600 0.051 0.000 1.010 172 E CA 0.529 56.985 56.400 0.093 0.000 0.856 172 E CB 0.212 29.959 29.700 0.078 0.000 0.795 172 E HN 0.616 nan 8.360 nan 0.000 0.504 173 N N 0.810 119.513 118.700 0.005 0.000 2.204 173 N HA 0.049 4.789 4.740 -0.000 0.000 0.219 173 N C -0.148 175.362 175.510 -0.001 0.000 1.151 173 N CA -0.173 52.886 53.050 0.014 0.000 0.867 173 N CB 0.634 39.130 38.487 0.016 0.000 1.043 173 N HN 0.081 nan 8.380 nan 0.000 0.516 174 L N 2.413 123.601 121.223 -0.059 0.000 2.584 174 L HA -0.024 4.316 4.340 -0.000 0.000 0.272 174 L C 1.250 178.144 176.870 0.041 0.000 1.195 174 L CA 0.886 55.694 54.840 -0.054 0.000 0.920 174 L CB 0.357 42.311 42.059 -0.176 0.000 1.173 174 L HN 0.116 nan 8.230 nan 0.000 0.489 175 D N 1.949 122.405 120.400 0.094 0.000 2.597 175 D HA 0.033 4.673 4.640 -0.000 0.000 0.261 175 D C -0.375 176.103 176.300 0.296 0.000 1.023 175 D CA 0.382 54.493 54.000 0.185 0.000 0.927 175 D CB 0.869 41.777 40.800 0.180 0.000 1.168 175 D HN 0.538 nan 8.370 nan 0.000 0.491 176 T N 1.194 115.896 114.554 0.246 0.000 2.881 176 T HA 0.500 4.850 4.350 -0.000 0.000 0.290 176 T C -1.109 173.741 174.700 0.249 0.000 1.000 176 T CA -0.556 61.740 62.100 0.326 0.000 0.978 176 T CB 2.297 71.331 68.868 0.277 0.000 0.997 176 T HN 0.074 nan 8.240 nan 0.000 0.443 177 L N 4.346 125.775 121.223 0.344 0.000 2.404 177 L HA 0.674 5.014 4.340 -0.000 0.000 0.272 177 L C -1.872 175.217 176.870 0.364 0.000 0.980 177 L CA -0.624 54.384 54.840 0.280 0.000 0.836 177 L CB 1.011 43.248 42.059 0.298 0.000 1.238 177 L HN 0.552 nan 8.230 nan 0.000 0.408 178 L N 6.525 127.867 121.223 0.199 0.000 2.294 178 L HA 0.472 4.812 4.340 -0.000 0.000 0.283 178 L C 0.265 177.174 176.870 0.064 0.000 1.015 178 L CA 0.090 55.012 54.840 0.136 0.000 0.831 178 L CB 1.480 43.454 42.059 -0.142 0.000 1.217 178 L HN 0.644 nan 8.230 nan 0.000 0.420 179 L N 2.737 124.036 121.223 0.128 0.000 3.184 179 L HA 0.180 4.520 4.340 -0.000 0.000 0.283 179 L C 0.600 177.475 176.870 0.008 0.000 1.218 179 L CA -0.297 54.580 54.840 0.062 0.000 1.028 179 L CB 0.275 42.414 42.059 0.133 0.000 1.400 179 L HN 0.662 nan 8.230 nan 0.000 0.591 180 Q N 0.958 120.731 119.800 -0.045 0.000 2.474 180 Q HA -0.026 4.314 4.340 -0.000 0.000 0.256 180 Q C -0.370 175.536 176.000 -0.157 0.000 1.048 180 Q CA 0.327 56.009 55.803 -0.201 0.000 0.922 180 Q CB 0.565 28.989 28.738 -0.523 0.000 1.288 180 Q HN 0.154 nan 8.270 nan 0.000 0.484 181 E N 0.386 120.513 120.200 -0.123 0.000 2.271 181 E HA -0.182 4.168 4.350 -0.000 0.000 0.223 181 E C -0.809 175.731 176.600 -0.100 0.000 1.223 181 E CA 0.584 56.942 56.400 -0.070 0.000 0.704 181 E CB -1.671 28.010 29.700 -0.033 0.000 1.194 181 E HN 0.715 nan 8.360 nan 0.000 0.375 182 N N -0.744 117.872 118.700 -0.140 0.000 3.184 182 N HA 0.386 5.126 4.740 -0.000 0.000 0.353 182 N C 0.040 175.443 175.510 -0.178 0.000 1.441 182 N CA -0.659 52.299 53.050 -0.152 0.000 0.723 182 N CB 1.013 39.399 38.487 -0.169 0.000 1.547 182 N HN -0.096 nan 8.380 nan 0.000 0.624 183 S N 0.363 115.959 115.700 -0.173 0.000 2.581 183 S HA 0.382 4.852 4.470 -0.000 0.000 0.245 183 S C 0.120 174.612 174.600 -0.179 0.000 1.115 183 S CA -0.375 57.736 58.200 -0.149 0.000 1.093 183 S CB -0.236 62.920 63.200 -0.073 0.000 0.853 183 S HN 0.242 nan 8.310 nan 0.000 0.479 184 L N 2.085 123.085 121.223 -0.372 0.000 2.397 184 L HA 0.264 4.604 4.340 -0.000 0.000 0.271 184 L C 0.923 177.468 176.870 -0.541 0.000 1.148 184 L CA -0.214 54.322 54.840 -0.507 0.000 0.825 184 L CB 0.284 41.955 42.059 -0.646 0.000 1.117 184 L HN 0.510 nan 8.230 nan 0.000 0.456 185 Y N -0.451 119.725 120.300 -0.206 0.000 2.432 185 Y HA 0.444 4.994 4.550 -0.000 0.000 0.252 185 Y C 0.455 176.538 175.900 0.305 0.000 1.097 185 Y CA -0.502 57.599 58.100 0.002 0.000 1.250 185 Y CB 0.632 39.085 38.460 -0.011 0.000 1.245 185 Y HN 0.517 nan 8.280 nan 0.000 0.522 186 T N 0.838 115.354 114.554 -0.064 0.000 2.749 186 T HA 0.551 4.901 4.350 -0.000 0.000 0.310 186 T C -2.173 172.428 174.700 -0.165 0.000 1.496 186 T CA -0.575 61.553 62.100 0.047 0.000 1.006 186 T CB 1.364 70.234 68.868 0.004 0.000 1.457 186 T HN 0.032 nan 8.240 nan 0.000 0.497 187 I N 3.185 123.597 120.570 -0.262 0.000 2.436 187 I HA 0.413 4.583 4.170 -0.000 0.000 0.289 187 I C -2.296 173.671 176.117 -0.249 0.000 1.010 187 I CA -2.602 58.412 61.300 -0.478 0.000 1.098 187 I CB 1.375 38.921 38.000 -0.756 0.000 1.266 187 I HN 0.473 nan 8.210 nan 0.000 0.434 188 P HA 0.023 nan 4.420 nan 0.000 0.265 188 P C -0.300 176.833 177.300 -0.279 0.000 1.193 188 P CA -0.281 62.697 63.100 -0.202 0.000 0.765 188 P CB 0.523 32.129 31.700 -0.157 0.000 0.823 189 K N 2.695 122.909 120.400 -0.310 0.000 2.511 189 K HA 0.221 4.541 4.320 -0.000 0.000 0.280 189 K C 1.313 177.462 176.600 -0.751 0.000 1.008 189 K CA 1.445 57.357 56.287 -0.625 0.000 1.050 189 K CB -0.957 31.380 32.500 -0.272 0.000 0.889 189 K HN 0.698 nan 8.250 nan 0.000 0.484 190 G N 4.122 112.072 108.800 -1.417 0.000 2.184 190 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.264 190 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.264 190 G C 0.692 175.468 174.900 -0.207 0.000 0.975 190 G CA 0.352 45.125 45.100 -0.544 0.000 0.642 190 G HN 0.667 nan 8.290 nan 0.000 0.536 191 F N 0.748 120.447 119.950 -0.420 0.000 2.087 191 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 191 F C 2.164 177.783 175.800 -0.301 0.000 1.100 191 F CA 2.572 60.346 58.000 -0.377 0.000 1.226 191 F CB -0.348 38.291 39.000 -0.602 0.000 0.983 191 F HN 0.209 nan 8.300 nan 0.000 0.479 192 F N 0.279 120.296 119.950 0.112 0.000 2.780 192 F HA 0.233 4.760 4.527 -0.000 0.000 0.299 192 F C 1.887 177.743 175.800 0.093 0.000 1.146 192 F CA 0.404 58.414 58.000 0.017 0.000 1.428 192 F CB -0.925 38.000 39.000 -0.124 0.000 1.115 192 F HN 0.263 nan 8.300 nan 0.000 0.583 193 G N 1.032 109.931 108.800 0.165 0.000 2.594 193 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.297 193 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.297 193 G C 0.921 175.856 174.900 0.057 0.000 1.273 193 G CA 0.584 45.672 45.100 -0.020 0.000 0.974 193 G HN 0.544 nan 8.290 nan 0.000 0.552 194 S N -0.184 115.442 115.700 -0.124 0.000 2.575 194 S HA 0.305 4.775 4.470 -0.000 0.000 0.237 194 S C 0.577 175.200 174.600 0.039 0.000 0.975 194 S CA 0.200 58.401 58.200 0.002 0.000 0.960 194 S CB -0.022 63.167 63.200 -0.018 0.000 0.822 194 S HN 0.757 nan 8.310 nan 0.000 0.472 195 H N 1.929 121.101 119.070 0.169 0.000 2.928 195 H HA 0.177 4.733 4.556 -0.000 0.000 0.338 195 H C 0.026 175.456 175.328 0.170 0.000 1.047 195 H CA -0.000 56.139 56.048 0.152 0.000 1.435 195 H CB 0.430 30.290 29.762 0.163 0.000 1.428 195 H HN 0.357 nan 8.280 nan 0.000 0.590 196 L N 5.314 126.680 121.223 0.238 0.000 2.315 196 L HA 0.104 4.444 4.340 -0.000 0.000 0.278 196 L C 0.126 177.081 176.870 0.142 0.000 1.088 196 L CA -0.584 54.339 54.840 0.137 0.000 0.899 196 L CB 0.232 42.334 42.059 0.071 0.000 1.277 196 L HN 0.196 nan 8.230 nan 0.000 0.431 197 L N 6.977 128.313 121.223 0.187 0.000 2.288 197 L HA 0.393 4.733 4.340 -0.000 0.000 0.283 197 L C -1.684 175.233 176.870 0.079 0.000 1.072 197 L CA -1.610 53.346 54.840 0.192 0.000 0.862 197 L CB 0.898 43.157 42.059 0.333 0.000 1.245 197 L HN 0.149 nan 8.230 nan 0.000 0.432 198 P HA -0.103 nan 4.420 nan 0.000 0.215 198 P C -0.719 176.197 177.300 -0.640 0.000 1.153 198 P CA 1.531 64.403 63.100 -0.380 0.000 0.853 198 P CB 0.099 31.559 31.700 -0.400 0.000 0.788 199 F N -1.030 119.027 119.950 0.179 0.000 2.577 199 F HA 0.612 5.139 4.527 -0.000 0.000 0.344 199 F C -0.119 175.839 175.800 0.263 0.000 1.145 199 F CA -1.113 56.988 58.000 0.168 0.000 0.996 199 F CB 1.240 40.306 39.000 0.110 0.000 1.248 199 F HN -0.237 nan 8.300 nan 0.000 0.447 200 A N 3.431 126.448 122.820 0.329 0.000 2.343 200 A HA 0.856 5.176 4.320 -0.000 0.000 0.316 200 A C -1.602 176.112 177.584 0.216 0.000 1.104 200 A CA -0.492 51.774 52.037 0.381 0.000 0.768 200 A CB 0.624 19.882 19.000 0.430 0.000 1.213 200 A HN 0.518 nan 8.150 nan 0.000 0.456 201 F N 2.155 122.338 119.950 0.388 0.000 2.427 201 F HA 0.530 5.057 4.527 -0.000 0.000 0.348 201 F C 0.453 176.415 175.800 0.270 0.000 1.125 201 F CA -0.403 57.819 58.000 0.369 0.000 0.989 201 F CB 1.750 40.953 39.000 0.339 0.000 1.165 201 F HN 0.419 nan 8.300 nan 0.000 0.442 202 L N 2.309 123.798 121.223 0.443 0.000 3.217 202 L HA 0.175 4.515 4.340 -0.000 0.000 0.288 202 L C 0.214 177.403 176.870 0.532 0.000 1.202 202 L CA -0.489 54.649 54.840 0.498 0.000 1.027 202 L CB -0.250 42.181 42.059 0.619 0.000 1.427 202 L HN 0.639 nan 8.230 nan 0.000 0.600 203 H N -0.929 118.413 119.070 0.453 0.000 2.639 203 H HA 0.509 5.065 4.556 -0.000 0.000 0.373 203 H C 1.212 176.701 175.328 0.268 0.000 1.372 203 H CA -0.029 56.244 56.048 0.376 0.000 1.448 203 H CB 0.253 30.193 29.762 0.297 0.000 1.544 203 H HN 0.081 nan 8.280 nan 0.000 0.615 204 G N 0.216 109.211 108.800 0.324 0.000 2.176 204 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.252 204 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.252 204 G C -0.530 174.348 174.900 -0.037 0.000 1.024 204 G CA 0.146 45.339 45.100 0.155 0.000 0.755 204 G HN 0.850 nan 8.290 nan 0.000 0.507 205 N N 0.057 118.659 118.700 -0.164 0.000 2.240 205 N HA 0.463 5.203 4.740 -0.000 0.000 0.302 205 N C -2.775 172.394 175.510 -0.568 0.000 1.106 205 N CA -1.429 51.293 53.050 -0.547 0.000 0.778 205 N CB 2.778 40.564 38.487 -1.168 0.000 1.431 205 N HN -0.024 nan 8.380 nan 0.000 0.479 206 P HA 0.124 nan 4.420 nan 0.000 0.220 206 P C -0.647 176.602 177.300 -0.085 0.000 1.806 206 P CA -0.303 62.696 63.100 -0.168 0.000 0.976 206 P CB -0.816 30.835 31.700 -0.082 0.000 1.952 207 W N 1.724 123.109 121.300 0.142 0.000 2.347 207 W HA 0.069 4.729 4.660 -0.000 0.000 0.333 207 W C 0.834 177.429 176.519 0.126 0.000 1.383 207 W CA -0.786 56.655 57.345 0.160 0.000 1.283 207 W CB 0.190 29.776 29.460 0.210 0.000 1.253 207 W HN 0.165 nan 8.180 nan 0.000 0.563 208 L N 6.276 127.732 121.223 0.390 0.000 2.268 208 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 208 L C -0.506 176.436 176.870 0.120 0.000 1.064 208 L CA -0.598 54.370 54.840 0.214 0.000 0.824 208 L CB 0.031 42.215 42.059 0.208 0.000 1.202 208 L HN 0.427 nan 8.230 nan 0.000 0.433 209 c N 6.102 124.676 118.600 -0.043 0.000 2.322 209 c HA 0.571 5.141 4.570 -0.000 0.000 0.343 209 c C 0.350 174.194 174.090 -0.411 0.000 1.190 209 c CA -0.498 55.587 56.329 -0.407 0.000 1.704 209 c CB -1.749 40.319 42.510 -0.737 0.000 2.293 209 c HN 0.983 nan 8.230 nan 0.000 0.523 210 N N 0.890 119.486 118.700 -0.174 0.000 3.418 210 N HA 0.290 5.030 4.740 -0.000 0.000 0.316 210 N C 0.294 175.948 175.510 0.240 0.000 1.601 210 N CA -0.822 52.283 53.050 0.092 0.000 0.805 210 N CB -0.115 38.428 38.487 0.092 0.000 1.873 210 N HN 0.260 nan 8.380 nan 0.000 0.615 211 c N -0.433 118.303 118.600 0.227 0.000 2.419 211 c HA 0.003 4.573 4.570 -0.000 0.000 0.281 211 c C 1.748 175.956 174.090 0.196 0.000 1.336 211 c CA 0.871 57.329 56.329 0.216 0.000 1.770 211 c CB -1.302 41.296 42.510 0.146 0.000 1.929 211 c HN 0.722 nan 8.230 nan 0.000 0.509 212 E N 0.227 120.529 120.200 0.169 0.000 2.478 212 E HA -0.007 4.343 4.350 -0.000 0.000 0.198 212 E C 1.538 178.257 176.600 0.199 0.000 1.046 212 E CA 0.278 56.776 56.400 0.163 0.000 0.870 212 E CB -0.230 29.555 29.700 0.141 0.000 0.818 212 E HN 0.585 nan 8.360 nan 0.000 0.527 213 I N -0.240 120.460 120.570 0.217 0.000 3.860 213 I HA 0.029 4.198 4.170 -0.000 0.000 0.319 213 I C 1.209 177.504 176.117 0.297 0.000 1.279 213 I CA 0.312 61.761 61.300 0.248 0.000 1.220 213 I CB 0.203 38.302 38.000 0.165 0.000 1.027 213 I HN 0.075 nan 8.210 nan 0.000 0.428 214 L N -0.698 120.702 121.223 0.294 0.000 2.079 214 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 214 L C 2.425 179.453 176.870 0.263 0.000 1.081 214 L CA 1.661 56.662 54.840 0.269 0.000 0.752 214 L CB -1.019 41.176 42.059 0.226 0.000 0.896 214 L HN 0.346 nan 8.230 nan 0.000 0.433 215 Y N 0.193 120.620 120.300 0.212 0.000 2.128 215 Y HA -0.346 4.204 4.550 -0.000 0.000 0.284 215 Y C 2.445 178.561 175.900 0.360 0.000 1.154 215 Y CA 1.574 59.817 58.100 0.237 0.000 1.149 215 Y CB -0.506 38.068 38.460 0.191 0.000 0.976 215 Y HN 0.069 nan 8.280 nan 0.000 0.505 216 F N 1.570 121.524 119.950 0.008 0.000 2.134 216 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 216 F C 2.660 178.462 175.800 0.004 0.000 1.097 216 F CA 1.868 59.838 58.000 -0.051 0.000 1.264 216 F CB -0.776 38.187 39.000 -0.062 0.000 1.001 216 F HN 0.058 nan 8.300 nan 0.000 0.479 217 R N 0.979 121.519 120.500 0.066 0.000 2.083 217 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 217 R C 2.346 178.638 176.300 -0.015 0.000 1.137 217 R CA 1.695 57.784 56.100 -0.018 0.000 0.951 217 R CB -0.496 29.874 30.300 0.116 0.000 0.851 217 R HN 0.291 nan 8.270 nan 0.000 0.434 218 R N -1.173 119.339 120.500 0.020 0.000 2.092 218 R HA -0.174 4.166 4.340 -0.000 0.000 0.231 218 R C 2.102 178.372 176.300 -0.050 0.000 1.119 218 R CA 1.651 57.747 56.100 -0.007 0.000 0.970 218 R CB -0.482 29.835 30.300 0.028 0.000 0.864 218 R HN 0.351 nan 8.270 nan 0.000 0.440 219 W N 1.443 122.598 121.300 -0.242 0.000 2.358 219 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 219 W C 1.530 177.889 176.519 -0.266 0.000 1.208 219 W CA 1.181 58.371 57.345 -0.258 0.000 1.274 219 W CB -0.181 29.109 29.460 -0.284 0.000 1.138 219 W HN -0.048 nan 8.180 nan 0.000 0.515 220 L N 0.342 121.505 121.223 -0.101 0.000 2.046 220 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 220 L C 2.678 179.340 176.870 -0.346 0.000 1.077 220 L CA 1.622 56.281 54.840 -0.300 0.000 0.747 220 L CB -1.012 40.861 42.059 -0.309 0.000 0.896 220 L HN 0.079 nan 8.230 nan 0.000 0.432 221 Q N -0.246 119.443 119.800 -0.186 0.000 2.084 221 Q HA -0.214 4.125 4.340 -0.000 0.000 0.202 221 Q C 1.613 177.470 176.000 -0.239 0.000 0.978 221 Q CA 1.559 57.292 55.803 -0.118 0.000 0.844 221 Q CB -0.096 28.616 28.738 -0.044 0.000 0.898 221 Q HN 0.485 nan 8.270 nan 0.000 0.426 222 D N -0.116 120.089 120.400 -0.324 0.000 2.317 222 D HA -0.035 4.605 4.640 -0.000 0.000 0.211 222 D C 0.595 176.581 176.300 -0.523 0.000 0.966 222 D CA 0.717 54.498 54.000 -0.364 0.000 0.876 222 D CB 0.025 40.622 40.800 -0.339 0.000 0.927 222 D HN 0.202 nan 8.370 nan 0.000 0.519 223 N N -0.100 118.149 118.700 -0.751 0.000 2.365 223 N HA 0.191 4.931 4.740 -0.000 0.000 0.257 223 N C 1.027 176.144 175.510 -0.654 0.000 1.287 223 N CA -0.039 52.501 53.050 -0.850 0.000 0.882 223 N CB 1.353 38.868 38.487 -1.620 0.000 1.250 223 N HN -0.044 nan 8.380 nan 0.000 0.507 224 A N 1.163 123.674 122.820 -0.513 0.000 1.948 224 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 224 A C 1.804 179.119 177.584 -0.449 0.000 1.177 224 A CA 1.369 53.117 52.037 -0.482 0.000 0.636 224 A CB -0.054 18.687 19.000 -0.432 0.000 0.815 224 A HN 0.113 nan 8.150 nan 0.000 0.449 225 E N 0.304 120.270 120.200 -0.390 0.000 2.511 225 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 225 E C 0.338 176.692 176.600 -0.409 0.000 1.066 225 E CA 0.266 56.446 56.400 -0.367 0.000 0.871 225 E CB -0.223 29.323 29.700 -0.257 0.000 0.863 225 E HN 0.651 nan 8.360 nan 0.000 0.520 226 N N 0.116 118.578 118.700 -0.396 0.000 2.187 226 N HA 0.048 4.788 4.740 -0.000 0.000 0.212 226 N C -0.254 175.156 175.510 -0.167 0.000 1.152 226 N CA 0.057 52.960 53.050 -0.245 0.000 0.872 226 N CB 1.641 39.992 38.487 -0.227 0.000 1.025 226 N HN -0.097 nan 8.380 nan 0.000 0.514 227 V N 2.107 121.791 119.914 -0.383 0.000 2.370 227 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 227 V C -0.720 175.102 176.094 -0.454 0.000 1.029 227 V CA -0.483 61.675 62.300 -0.235 0.000 0.870 227 V CB 0.344 32.059 31.823 -0.180 0.000 0.984 227 V HN 0.037 nan 8.190 nan 0.000 0.451 228 Y N 2.703 122.823 120.300 -0.300 0.000 2.630 228 Y HA 0.705 5.255 4.550 -0.000 0.000 0.337 228 Y C 0.016 175.906 175.900 -0.018 0.000 1.051 228 Y CA -1.152 56.780 58.100 -0.280 0.000 1.121 228 Y CB 1.953 40.123 38.460 -0.482 0.000 1.299 228 Y HN 0.298 nan 8.280 nan 0.000 0.498 229 V N 1.476 121.591 119.914 0.335 0.000 2.417 229 V HA 0.123 4.243 4.120 -0.000 0.000 0.291 229 V C -0.581 175.893 176.094 0.633 0.000 1.024 229 V CA -1.119 61.384 62.300 0.338 0.000 0.861 229 V CB 1.290 33.101 31.823 -0.020 0.000 0.985 229 V HN 0.751 nan 8.190 nan 0.000 0.436 230 W N 5.597 127.349 121.300 0.753 0.000 2.216 230 W HA 0.360 5.020 4.660 -0.000 0.000 0.326 230 W C -0.549 176.114 176.519 0.241 0.000 1.319 230 W CA -0.324 57.305 57.345 0.473 0.000 1.213 230 W CB 0.642 30.284 29.460 0.303 0.000 1.171 230 W HN 0.491 nan 8.180 nan 0.000 0.557 231 K N 4.946 124.891 120.400 -0.758 0.000 2.541 231 K HA 0.042 4.362 4.320 -0.000 0.000 0.250 231 K C -0.320 175.767 176.600 -0.855 0.000 0.950 231 K CA -0.620 55.334 56.287 -0.554 0.000 0.805 231 K CB 2.045 34.394 32.500 -0.253 0.000 1.166 231 K HN 0.457 nan 8.250 nan 0.000 0.430 232 Q N 1.950 121.492 119.800 -0.429 0.000 2.364 232 Q HA 0.164 4.504 4.340 -0.000 0.000 0.263 232 Q C 0.116 175.998 176.000 -0.197 0.000 1.276 232 Q CA 0.241 55.933 55.803 -0.185 0.000 0.923 232 Q CB 0.160 28.945 28.738 0.078 0.000 1.477 232 Q HN 0.846 nan 8.270 nan 0.000 0.484 233 G N 1.575 110.206 108.800 -0.282 0.000 3.178 233 G HA2 0.275 4.235 3.960 -0.000 0.000 0.134 233 G HA3 0.275 4.235 3.960 -0.000 0.000 0.134 233 G C -0.835 173.955 174.900 -0.183 0.000 1.143 233 G CA 0.258 45.249 45.100 -0.182 0.000 1.487 233 G HN 0.429 nan 8.290 nan 0.000 0.711 240 T N 2.441 117.147 114.554 0.254 0.000 2.779 240 T HA 0.644 4.994 4.350 -0.000 0.000 0.280 240 T C -0.218 174.464 174.700 -0.031 0.000 0.987 240 T CA -0.227 61.943 62.100 0.117 0.000 0.966 240 T CB 1.318 70.206 68.868 0.033 0.000 0.933 240 T HN 0.711 nan 8.240 nan 0.000 0.442 241 S N 2.920 118.407 115.700 -0.355 0.000 2.584 241 S HA 0.328 4.798 4.470 -0.000 0.000 0.270 241 S C 0.110 174.486 174.600 -0.372 0.000 1.346 241 S CA -0.583 57.179 58.200 -0.730 0.000 1.018 241 S CB 0.299 63.010 63.200 -0.814 0.000 0.899 241 S HN 0.717 nan 8.310 nan 0.000 0.542 242 N N 0.609 119.095 118.700 -0.356 0.000 2.976 242 N HA 0.072 4.812 4.740 -0.000 0.000 0.220 242 N C -0.085 175.276 175.510 -0.249 0.000 1.428 242 N CA -0.357 52.552 53.050 -0.235 0.000 0.748 242 N CB 0.728 39.139 38.487 -0.126 0.000 1.484 242 N HN 0.422 nan 8.380 nan 0.000 0.578 243 V N 2.146 121.832 119.914 -0.380 0.000 2.594 243 V HA -0.073 4.047 4.120 -0.000 0.000 0.253 243 V C 1.895 177.769 176.094 -0.366 0.000 1.069 243 V CA 2.533 64.557 62.300 -0.459 0.000 1.082 243 V CB -0.503 30.849 31.823 -0.786 0.000 0.680 243 V HN 0.638 nan 8.190 nan 0.000 0.469 244 A N -0.031 122.619 122.820 -0.283 0.000 2.216 244 A HA -0.090 4.230 4.320 -0.000 0.000 0.214 244 A C 2.370 179.961 177.584 0.011 0.000 1.160 244 A CA 1.507 53.512 52.037 -0.054 0.000 0.725 244 A CB -0.635 18.369 19.000 0.007 0.000 0.784 244 A HN 0.856 nan 8.150 nan 0.000 0.472 245 S N -0.820 114.884 115.700 0.008 0.000 2.481 245 S HA 0.045 4.515 4.470 -0.000 0.000 0.231 245 S C 0.528 175.257 174.600 0.214 0.000 0.996 245 S CA 0.549 58.809 58.200 0.100 0.000 0.942 245 S CB -0.568 62.691 63.200 0.098 0.000 0.768 245 S HN 0.150 nan 8.310 nan 0.000 0.520 246 V N 2.910 122.927 119.914 0.171 0.000 2.372 246 V HA 0.335 4.454 4.120 -0.000 0.000 0.261 246 V C -0.178 176.048 176.094 0.221 0.000 1.055 246 V CA -0.296 62.154 62.300 0.249 0.000 0.930 246 V CB 0.322 32.153 31.823 0.015 0.000 1.031 246 V HN 0.489 nan 8.190 nan 0.000 0.479 247 Q N 2.890 122.916 119.800 0.376 0.000 2.387 247 Q HA 0.501 4.841 4.340 -0.000 0.000 0.273 247 Q C -0.966 175.266 176.000 0.388 0.000 1.089 247 Q CA -0.803 55.181 55.803 0.302 0.000 0.824 247 Q CB 2.306 31.182 28.738 0.230 0.000 1.367 247 Q HN 0.664 nan 8.270 nan 0.000 0.443 248 c N 1.488 120.272 118.600 0.307 0.000 2.629 248 c HA -0.009 4.561 4.570 -0.000 0.000 0.410 248 c C 1.527 175.751 174.090 0.224 0.000 1.339 248 c CA 0.045 56.539 56.329 0.275 0.000 1.810 248 c CB -0.454 42.194 42.510 0.230 0.000 2.549 248 c HN 1.004 nan 8.230 nan 0.000 0.589 249 D N 2.412 122.928 120.400 0.194 0.000 2.149 249 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 249 D C 1.266 177.623 176.300 0.095 0.000 0.972 249 D CA 0.916 54.992 54.000 0.125 0.000 0.835 249 D CB 0.019 40.871 40.800 0.086 0.000 0.966 249 D HN 0.750 nan 8.370 nan 0.000 0.476 250 N N 0.495 119.245 118.700 0.084 0.000 3.243 250 N HA 0.008 4.748 4.740 -0.000 0.000 0.310 250 N C -0.938 174.608 175.510 0.059 0.000 1.313 250 N CA 0.080 53.163 53.050 0.054 0.000 1.204 250 N CB -0.036 38.471 38.487 0.032 0.000 1.483 250 N HN 0.226 nan 8.380 nan 0.000 0.553 251 S N -1.138 114.612 115.700 0.083 0.000 2.680 251 S HA 0.164 4.634 4.470 -0.000 0.000 0.276 251 S C -1.664 173.004 174.600 0.114 0.000 1.189 251 S CA -0.946 57.311 58.200 0.095 0.000 0.909 251 S CB 1.103 64.392 63.200 0.149 0.000 1.227 251 S HN 0.063 nan 8.310 nan 0.000 0.501 252 D N 1.279 121.760 120.400 0.136 0.000 2.622 252 D HA 0.318 4.958 4.640 -0.000 0.000 0.262 252 D C -0.522 175.873 176.300 0.158 0.000 1.189 252 D CA -0.109 53.966 54.000 0.125 0.000 0.985 252 D CB -0.580 40.282 40.800 0.102 0.000 0.994 252 D HN 0.624 nan 8.370 nan 0.000 0.513 253 K N 0.804 121.301 120.400 0.163 0.000 3.129 253 K HA -0.249 4.071 4.320 -0.000 0.000 0.273 253 K C 0.113 176.823 176.600 0.183 0.000 1.123 253 K CA 0.196 56.578 56.287 0.158 0.000 0.800 253 K CB -1.827 30.741 32.500 0.115 0.000 1.238 253 K HN 0.335 nan 8.250 nan 0.000 0.492 254 F N 2.059 122.062 119.950 0.088 0.000 2.495 254 F HA 0.167 4.694 4.527 -0.000 0.000 0.365 254 F C -1.907 173.954 175.800 0.102 0.000 1.090 254 F CA -2.044 56.007 58.000 0.084 0.000 1.235 254 F CB 0.595 39.647 39.000 0.086 0.000 1.119 254 F HN -0.143 nan 8.300 nan 0.000 0.562 255 P HA 0.018 nan 4.420 nan 0.000 0.271 255 P C 0.669 177.877 177.300 -0.154 0.000 1.220 255 P CA -0.001 62.968 63.100 -0.220 0.000 0.768 255 P CB 0.989 32.586 31.700 -0.171 0.000 0.848 256 V N 3.712 123.649 119.914 0.038 0.000 2.392 256 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 256 V C 1.950 178.064 176.094 0.034 0.000 1.059 256 V CA 2.019 64.344 62.300 0.042 0.000 1.051 256 V CB -1.689 30.040 31.823 -0.158 0.000 0.658 256 V HN 0.653 nan 8.190 nan 0.000 0.455 257 Y N 0.708 120.893 120.300 -0.192 0.000 2.651 257 Y HA -0.033 4.517 4.550 -0.000 0.000 0.296 257 Y C 1.834 177.678 175.900 -0.094 0.000 1.150 257 Y CA 1.058 59.053 58.100 -0.175 0.000 1.348 257 Y CB -0.368 37.957 38.460 -0.226 0.000 0.983 257 Y HN 0.150 nan 8.280 nan 0.000 0.555 258 K N -0.304 119.807 120.400 -0.481 0.000 2.387 258 K HA 0.035 4.355 4.320 -0.000 0.000 0.203 258 K C -0.791 175.895 176.600 0.144 0.000 1.030 258 K CA -0.475 55.565 56.287 -0.411 0.000 1.099 258 K CB 0.176 32.242 32.500 -0.724 0.000 0.863 258 K HN 0.215 nan 8.250 nan 0.000 0.529 259 Y N 2.642 123.052 120.300 0.184 0.000 2.537 259 Y HA 0.054 4.604 4.550 -0.000 0.000 0.339 259 Y C -1.913 174.052 175.900 0.109 0.000 1.066 259 Y CA -2.316 55.954 58.100 0.283 0.000 1.357 259 Y CB 0.905 39.500 38.460 0.225 0.000 1.175 259 Y HN -0.003 nan 8.280 nan 0.000 0.525 260 P HA 0.008 nan 4.420 nan 0.000 0.215 260 P C 0.467 177.491 177.300 -0.460 0.000 1.157 260 P CA 2.205 65.087 63.100 -0.362 0.000 0.863 260 P CB 0.120 31.648 31.700 -0.287 0.000 0.787 261 G N -0.068 108.191 108.800 -0.901 0.000 2.256 261 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.272 261 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.272 261 G C -0.027 174.757 174.900 -0.194 0.000 1.076 261 G CA -0.172 44.659 45.100 -0.449 0.000 0.882 261 G HN 0.450 nan 8.290 nan 0.000 0.497 262 K N -0.004 120.267 120.400 -0.215 0.000 2.484 262 K HA 0.394 4.714 4.320 -0.000 0.000 0.280 262 K C 1.690 178.260 176.600 -0.050 0.000 1.013 262 K CA 1.257 57.478 56.287 -0.110 0.000 1.029 262 K CB -0.220 32.216 32.500 -0.107 0.000 0.902 262 K HN 1.550 nan 8.250 nan 0.000 0.481 263 G N 2.804 111.587 108.800 -0.028 0.000 2.179 263 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 263 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 263 G C 0.151 175.059 174.900 0.013 0.000 0.977 263 G CA 0.100 45.197 45.100 -0.005 0.000 0.641 263 G HN 0.677 nan 8.290 nan 0.000 0.533 264 c N 2.056 120.667 118.600 0.018 0.000 2.601 264 c HA 0.533 5.103 4.570 -0.000 0.000 0.409 264 c C -0.915 173.200 174.090 0.041 0.000 1.293 264 c CA -1.077 55.279 56.329 0.044 0.000 2.101 264 c CB 0.565 43.117 42.510 0.070 0.000 2.639 264 c HN 0.458 nan 8.230 nan 0.000 0.592 265 P HA 0.209 nan 4.420 nan 0.000 0.268 265 P C 0.065 177.395 177.300 0.051 0.000 1.204 265 P CA 0.354 63.480 63.100 0.043 0.000 0.768 265 P CB 0.503 32.229 31.700 0.044 0.000 0.842 266 T N 0.000 114.580 114.554 0.043 0.000 3.816 266 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 266 T CA 0.000 62.130 62.100 0.049 0.000 1.349 266 T CB 0.000 68.891 68.868 0.039 0.000 0.612 266 T HN 0.000 nan 8.240 nan 0.000 0.658