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 1ioa_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATETSFNFPN FHTDDKLILQ GNATISSKGQ LQLTGVGSNE LPRVDSLGRA DATA SEQUENCE FYSDPIQIKD SNNVASFNTN FTFIIRAKNQ SISAYGLAFA LVPVNSPPQK DATA SEQUENCE KQEFLGIFNT NNPEPNARTV AVVFNTFKNR IDFDKNFIKP YVNENcDFHK DATA SEQUENCE YNGEKTDVQI TYDSSNNDLR VFLHFTVSQV KcSVSATVHL EKEVDEWVSV DATA SEQUENCE GFSPTSGLTE DTTETHDVLS WSFSSKFR 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.699 177.584 0.192 0.000 1.274 1 A CA 0.000 52.132 52.037 0.158 0.000 0.836 1 A CB 0.000 19.110 19.000 0.184 0.000 0.831 2 T N -1.110 113.512 114.554 0.114 0.000 2.989 2 T HA 0.284 4.626 4.350 -0.012 0.000 0.250 2 T C 0.336 175.223 174.700 0.312 0.000 0.981 2 T CA 0.459 62.586 62.100 0.044 0.000 0.980 2 T CB 0.091 68.747 68.868 -0.353 0.000 1.133 2 T HN 0.597 nan 8.240 nan 0.000 0.489 3 E N 2.423 122.785 120.200 0.271 0.000 2.115 3 E HA 0.444 4.786 4.350 -0.012 0.000 0.282 3 E C -0.899 175.836 176.600 0.224 0.000 0.987 3 E CA -0.263 56.295 56.400 0.263 0.000 0.797 3 E CB 1.097 30.923 29.700 0.209 0.000 1.086 3 E HN 0.178 nan 8.360 nan 0.000 0.397 4 T N 1.569 116.274 114.554 0.253 0.000 2.902 4 T HA 0.444 4.786 4.350 -0.012 0.000 0.283 4 T C -0.400 174.424 174.700 0.206 0.000 1.009 4 T CA -0.618 61.640 62.100 0.263 0.000 1.051 4 T CB 1.483 70.544 68.868 0.322 0.000 0.999 4 T HN 0.250 nan 8.240 nan 0.000 0.474 5 S N 1.877 117.661 115.700 0.140 0.000 2.605 5 S HA 0.673 5.136 4.470 -0.012 0.000 0.279 5 S C -1.549 173.030 174.600 -0.035 0.000 1.166 5 S CA -0.872 57.315 58.200 -0.022 0.000 0.975 5 S CB 0.167 63.358 63.200 -0.014 0.000 1.111 5 S HN 0.608 nan 8.310 nan 0.000 0.465 6 F N 1.997 121.796 119.950 -0.251 0.000 2.692 6 F HA 0.719 5.274 4.527 0.046 0.000 0.320 6 F C -0.703 174.848 175.800 -0.416 0.000 1.123 6 F CA -0.989 56.762 58.000 -0.415 0.000 0.961 6 F CB 1.408 39.978 39.000 -0.717 0.000 1.383 6 F HN 0.533 nan 8.300 nan 0.000 0.483 7 N N 0.657 119.210 118.700 -0.246 0.000 2.616 7 N HA 0.324 5.056 4.740 -0.012 0.000 0.281 7 N C -2.432 172.931 175.510 -0.244 0.000 1.145 7 N CA -0.318 52.613 53.050 -0.198 0.000 0.919 7 N CB 1.110 39.530 38.487 -0.111 0.000 1.509 7 N HN 0.545 nan 8.380 nan 0.000 0.537 8 F N 4.597 124.616 119.950 0.115 0.000 2.308 8 F HA 0.429 4.947 4.527 -0.015 0.000 0.370 8 F C -1.262 174.462 175.800 -0.126 0.000 1.100 8 F CA -1.804 56.157 58.000 -0.064 0.000 1.108 8 F CB 1.601 40.440 39.000 -0.269 0.000 1.293 8 F HN 0.379 nan 8.300 nan 0.000 0.478 9 P HA -0.063 nan 4.420 nan 0.000 0.225 9 P C -0.754 176.524 177.300 -0.037 0.000 1.156 9 P CA 0.922 64.049 63.100 0.045 0.000 0.787 9 P CB 0.453 32.186 31.700 0.055 0.000 0.802 10 N N -2.166 116.428 118.700 -0.177 0.000 3.020 10 N HA 0.318 5.051 4.740 -0.012 0.000 0.248 10 N C -1.404 173.705 175.510 -0.669 0.000 1.480 10 N CA -0.800 52.046 53.050 -0.340 0.000 0.874 10 N CB 0.515 38.900 38.487 -0.170 0.000 1.433 10 N HN -0.305 nan 8.380 nan 0.000 0.530 11 F N -0.397 119.452 119.950 -0.169 0.000 2.470 11 F HA 0.545 5.051 4.527 -0.034 0.000 0.329 11 F C -0.027 175.525 175.800 -0.414 0.000 1.072 11 F CA -0.161 57.721 58.000 -0.197 0.000 0.989 11 F CB 1.446 40.362 39.000 -0.141 0.000 1.193 11 F HN 0.471 nan 8.300 nan 0.000 0.481 12 H N -1.497 117.691 119.070 0.198 0.000 3.012 12 H HA 0.266 4.809 4.556 -0.022 0.000 0.367 12 H C 0.411 175.808 175.328 0.114 0.000 1.211 12 H CA -0.668 55.460 56.048 0.133 0.000 1.139 12 H CB 1.684 31.513 29.762 0.112 0.000 1.838 12 H HN 0.535 nan 8.280 nan 0.000 0.550 13 T N 0.036 114.720 114.554 0.216 0.000 2.684 13 T HA -0.191 4.152 4.350 -0.012 0.000 0.267 13 T C 1.373 176.140 174.700 0.112 0.000 1.036 13 T CA 1.816 63.992 62.100 0.126 0.000 1.148 13 T CB -0.236 68.686 68.868 0.092 0.000 0.863 13 T HN 0.805 nan 8.240 nan 0.000 0.436 14 D N 1.396 121.868 120.400 0.120 0.000 2.390 14 D HA -0.041 4.591 4.640 -0.012 0.000 0.235 14 D C -0.061 176.308 176.300 0.114 0.000 1.040 14 D CA 0.179 54.232 54.000 0.088 0.000 0.923 14 D CB -0.347 40.487 40.800 0.057 0.000 0.886 14 D HN 0.223 nan 8.370 nan 0.000 0.532 15 D N 0.989 121.487 120.400 0.164 0.000 2.344 15 D HA 0.069 4.701 4.640 -0.012 0.000 0.244 15 D C 0.753 177.138 176.300 0.142 0.000 1.134 15 D CA -0.264 53.868 54.000 0.221 0.000 0.930 15 D CB 0.875 41.847 40.800 0.286 0.000 1.175 15 D HN -0.155 nan 8.370 nan 0.000 0.437 16 K N 1.544 122.050 120.400 0.177 0.000 2.686 16 K HA 0.154 4.467 4.320 -0.012 0.000 0.244 16 K C -0.516 176.065 176.600 -0.032 0.000 1.262 16 K CA 0.145 56.423 56.287 -0.015 0.000 1.199 16 K CB -0.655 31.750 32.500 -0.158 0.000 1.428 16 K HN 0.276 nan 8.250 nan 0.000 0.247 17 L N 1.231 122.458 121.223 0.006 0.000 2.371 17 L HA 0.554 4.886 4.340 -0.012 0.000 0.262 17 L C -0.209 176.668 176.870 0.012 0.000 1.006 17 L CA -0.989 53.863 54.840 0.019 0.000 0.818 17 L CB 2.113 44.173 42.059 0.003 0.000 1.354 17 L HN 0.062 nan 8.230 nan 0.000 0.415 18 I N 3.180 123.779 120.570 0.047 0.000 2.355 18 I HA 0.385 4.548 4.170 -0.012 0.000 0.288 18 I C -0.731 175.415 176.117 0.048 0.000 0.999 18 I CA -0.373 60.960 61.300 0.054 0.000 1.163 18 I CB 1.486 39.547 38.000 0.102 0.000 1.316 18 I HN 0.278 nan 8.210 nan 0.000 0.454 19 L N 6.909 128.137 121.223 0.008 0.000 2.307 19 L HA 0.533 4.866 4.340 -0.012 0.000 0.284 19 L C -0.258 176.608 176.870 -0.008 0.000 1.023 19 L CA -0.496 54.329 54.840 -0.025 0.000 0.810 19 L CB 1.324 43.358 42.059 -0.042 0.000 1.231 19 L HN 0.598 nan 8.230 nan 0.000 0.423 20 Q N 1.113 120.904 119.800 -0.015 0.000 2.496 20 Q HA 0.640 4.972 4.340 -0.012 0.000 0.286 20 Q C 0.386 176.369 176.000 -0.028 0.000 1.103 20 Q CA -0.412 55.389 55.803 -0.004 0.000 0.813 20 Q CB 2.378 31.137 28.738 0.035 0.000 1.444 20 Q HN 0.786 nan 8.270 nan 0.000 0.443 21 G N 1.454 110.240 108.800 -0.024 0.000 2.581 21 G HA2 -0.344 3.608 3.960 -0.012 0.000 0.291 21 G HA3 -0.344 3.608 3.960 -0.012 0.000 0.291 21 G C 0.182 175.062 174.900 -0.034 0.000 1.277 21 G CA 0.300 45.381 45.100 -0.031 0.000 0.959 21 G HN 0.725 nan 8.290 nan 0.000 0.554 22 N N 1.819 120.497 118.700 -0.036 0.000 2.515 22 N HA 0.294 5.026 4.740 -0.012 0.000 0.191 22 N C 1.050 176.534 175.510 -0.043 0.000 1.182 22 N CA 0.927 53.958 53.050 -0.032 0.000 0.879 22 N CB -0.205 38.269 38.487 -0.022 0.000 0.984 22 N HN 0.959 nan 8.380 nan 0.000 0.453 23 A N 0.847 123.630 122.820 -0.062 0.000 2.477 23 A HA 0.421 4.734 4.320 -0.012 0.000 0.246 23 A C 0.786 178.326 177.584 -0.072 0.000 1.078 23 A CA 0.074 52.059 52.037 -0.086 0.000 0.770 23 A CB 0.167 19.095 19.000 -0.120 0.000 1.011 23 A HN 0.278 nan 8.150 nan 0.000 0.494 24 T N -0.779 113.728 114.554 -0.078 0.000 2.821 24 T HA 0.607 4.950 4.350 -0.012 0.000 0.306 24 T C -0.780 173.879 174.700 -0.068 0.000 1.313 24 T CA -0.571 61.496 62.100 -0.056 0.000 1.012 24 T CB 0.644 69.493 68.868 -0.031 0.000 1.298 24 T HN 0.338 nan 8.240 nan 0.000 0.502 25 I N 2.895 123.443 120.570 -0.037 0.000 2.336 25 I HA 0.448 4.610 4.170 -0.012 0.000 0.292 25 I C 0.964 177.085 176.117 0.006 0.000 0.991 25 I CA -0.072 61.217 61.300 -0.017 0.000 1.227 25 I CB 1.779 39.798 38.000 0.032 0.000 1.366 25 I HN 0.921 nan 8.210 nan 0.000 0.466 26 S N 3.261 118.966 115.700 0.008 0.000 2.603 26 S HA 0.138 4.600 4.470 -0.012 0.000 0.268 26 S C 1.320 175.939 174.600 0.032 0.000 1.317 26 S CA -0.079 58.132 58.200 0.017 0.000 1.012 26 S CB 1.034 64.243 63.200 0.015 0.000 0.926 26 S HN 0.705 nan 8.310 nan 0.000 0.539 27 S N 1.014 116.734 115.700 0.034 0.000 2.440 27 S HA -0.102 4.360 4.470 -0.012 0.000 0.240 27 S C 1.241 175.870 174.600 0.048 0.000 1.014 27 S CA 0.682 58.908 58.200 0.044 0.000 0.980 27 S CB -0.432 62.791 63.200 0.037 0.000 0.775 27 S HN 0.692 nan 8.310 nan 0.000 0.499 28 K N 0.966 121.389 120.400 0.039 0.000 2.404 28 K HA 0.234 4.547 4.320 -0.012 0.000 0.194 28 K C 1.174 177.789 176.600 0.026 0.000 1.023 28 K CA 0.596 56.906 56.287 0.038 0.000 1.094 28 K CB -0.177 32.344 32.500 0.035 0.000 0.841 28 K HN 0.592 nan 8.250 nan 0.000 0.523 29 G N 2.097 110.906 108.800 0.015 0.000 2.203 29 G HA2 -0.243 3.709 3.960 -0.012 0.000 0.231 29 G HA3 -0.243 3.709 3.960 -0.012 0.000 0.231 29 G C -0.433 174.520 174.900 0.089 0.000 1.058 29 G CA -0.202 44.875 45.100 -0.038 0.000 0.781 29 G HN 0.335 nan 8.290 nan 0.000 0.496 30 Q N -1.088 118.775 119.800 0.106 0.000 2.337 30 Q HA 0.649 4.981 4.340 -0.012 0.000 0.266 30 Q C -0.350 175.655 176.000 0.009 0.000 1.023 30 Q CA -1.127 54.755 55.803 0.133 0.000 0.829 30 Q CB 2.236 31.013 28.738 0.066 0.000 1.306 30 Q HN 0.287 nan 8.270 nan 0.000 0.449 31 L N 3.041 124.156 121.223 -0.179 0.000 2.295 31 L HA 0.162 4.495 4.340 -0.012 0.000 0.288 31 L C -0.796 175.911 176.870 -0.271 0.000 1.079 31 L CA 0.625 55.200 54.840 -0.442 0.000 0.830 31 L CB 0.596 42.031 42.059 -1.041 0.000 1.200 31 L HN 0.564 nan 8.230 nan 0.000 0.438 32 Q N 5.204 124.901 119.800 -0.172 0.000 2.571 32 Q HA 0.118 4.450 4.340 -0.012 0.000 0.222 32 Q C 0.727 176.657 176.000 -0.117 0.000 1.167 32 Q CA -0.653 55.085 55.803 -0.109 0.000 0.966 32 Q CB 1.073 29.776 28.738 -0.058 0.000 1.274 32 Q HN 0.608 nan 8.270 nan 0.000 0.552 33 L N 1.267 122.403 121.223 -0.145 0.000 1.978 33 L HA -0.224 4.109 4.340 -0.012 0.000 0.218 33 L C 2.315 179.133 176.870 -0.087 0.000 1.075 33 L CA 2.424 57.175 54.840 -0.149 0.000 0.767 33 L CB -1.464 40.477 42.059 -0.196 0.000 0.890 33 L HN 0.617 nan 8.230 nan 0.000 0.434 34 T N -3.080 111.468 114.554 -0.010 0.000 3.129 34 T HA 0.443 4.785 4.350 -0.012 0.000 0.251 34 T C 1.009 175.716 174.700 0.012 0.000 1.117 34 T CA 0.361 62.472 62.100 0.018 0.000 1.034 34 T CB -0.333 68.613 68.868 0.129 0.000 0.968 34 T HN 0.587 nan 8.240 nan 0.000 0.526 35 G N 0.345 109.143 108.800 -0.004 0.000 2.828 35 G HA2 0.018 3.970 3.960 -0.012 0.000 0.463 35 G HA3 0.018 3.970 3.960 -0.012 0.000 0.463 35 G C -0.902 173.999 174.900 0.001 0.000 1.394 35 G CA -0.511 44.584 45.100 -0.008 0.000 0.862 35 G HN 0.703 nan 8.290 nan 0.000 0.540 36 V N 0.634 120.547 119.914 -0.003 0.000 2.841 36 V HA 0.797 4.909 4.120 -0.012 0.000 0.310 36 V C 1.146 177.240 176.094 0.000 0.000 1.090 36 V CA 0.227 62.526 62.300 -0.000 0.000 0.930 36 V CB 1.991 33.813 31.823 -0.002 0.000 1.014 36 V HN 1.910 nan 8.190 nan 0.000 0.425 37 G N 1.382 110.183 108.800 0.002 0.000 2.562 37 G HA2 0.361 4.313 3.960 -0.012 0.000 0.275 37 G HA3 0.361 4.313 3.960 -0.012 0.000 0.275 37 G C 0.912 175.813 174.900 0.002 0.000 1.196 37 G CA 0.118 45.219 45.100 0.002 0.000 0.908 37 G HN 0.681 nan 8.290 nan 0.000 0.524 38 S N 0.120 115.821 115.700 0.002 0.000 2.547 38 S HA -0.102 4.360 4.470 -0.012 0.000 0.235 38 S C 1.954 176.555 174.600 0.002 0.000 0.980 38 S CA 0.907 59.108 58.200 0.002 0.000 0.941 38 S CB -0.201 63.000 63.200 0.002 0.000 0.763 38 S HN 0.708 nan 8.310 nan 0.000 0.532 39 N N 0.735 119.436 118.700 0.002 0.000 2.336 39 N HA 0.124 4.857 4.740 -0.012 0.000 0.189 39 N C 0.365 175.876 175.510 0.001 0.000 1.113 39 N CA 1.035 54.086 53.050 0.002 0.000 0.858 39 N CB -0.676 37.812 38.487 0.001 0.000 0.970 39 N HN 0.384 nan 8.380 nan 0.000 0.471 40 E N -0.484 119.717 120.200 0.002 0.000 3.181 40 E HA -0.163 4.179 4.350 -0.012 0.000 0.293 40 E C -0.564 176.036 176.600 0.000 0.000 0.936 40 E CA 1.203 57.604 56.400 0.002 0.000 0.975 40 E CB -2.502 27.200 29.700 0.002 0.000 1.496 40 E HN 0.532 nan 8.360 nan 0.000 0.429 41 L N -1.384 119.839 121.223 -0.000 0.000 2.342 41 L HA 0.679 5.012 4.340 -0.012 0.000 0.271 41 L C -2.263 174.607 176.870 -0.001 0.000 1.008 41 L CA -2.598 52.241 54.840 -0.002 0.000 0.818 41 L CB 2.317 44.375 42.059 -0.002 0.000 1.296 41 L HN -0.051 nan 8.230 nan 0.000 0.427 42 P HA 0.010 nan 4.420 nan 0.000 0.267 42 P C -0.917 176.388 177.300 0.009 0.000 1.195 42 P CA 0.155 63.255 63.100 0.001 0.000 0.773 42 P CB 0.404 32.100 31.700 -0.008 0.000 0.837 43 R N 0.894 121.404 120.500 0.017 0.000 2.410 43 R HA 0.391 4.724 4.340 -0.012 0.000 0.288 43 R C -0.184 176.133 176.300 0.029 0.000 1.051 43 R CA -0.901 55.210 56.100 0.018 0.000 1.021 43 R CB 0.777 31.086 30.300 0.016 0.000 1.032 43 R HN 0.332 nan 8.270 nan 0.000 0.481 44 V N 0.801 120.730 119.914 0.025 0.000 2.539 44 V HA 0.214 4.326 4.120 -0.012 0.000 0.292 44 V C 0.143 176.260 176.094 0.038 0.000 1.045 44 V CA -0.465 61.854 62.300 0.033 0.000 0.945 44 V CB 1.411 33.248 31.823 0.023 0.000 0.993 44 V HN 0.904 nan 8.190 nan 0.000 0.464 45 D N 2.559 122.993 120.400 0.057 0.000 2.697 45 D HA -0.177 4.455 4.640 -0.012 0.000 0.238 45 D C -0.128 176.190 176.300 0.030 0.000 1.152 45 D CA 1.495 55.527 54.000 0.053 0.000 0.666 45 D CB -1.028 39.796 40.800 0.040 0.000 1.037 45 D HN 1.151 nan 8.370 nan 0.000 0.423 46 S N -0.197 115.523 115.700 0.034 0.000 2.537 46 S HA 0.783 5.246 4.470 -0.012 0.000 0.301 46 S C -0.922 173.673 174.600 -0.009 0.000 1.092 46 S CA -0.888 57.319 58.200 0.012 0.000 1.048 46 S CB 1.447 64.658 63.200 0.019 0.000 1.053 46 S HN 0.431 nan 8.310 nan 0.000 0.501 47 L N 3.121 124.326 121.223 -0.031 0.000 2.408 47 L HA 1.011 5.343 4.340 -0.012 0.000 0.268 47 L C -0.415 176.417 176.870 -0.064 0.000 0.986 47 L CA 0.058 54.862 54.840 -0.059 0.000 0.820 47 L CB 1.662 43.688 42.059 -0.056 0.000 1.303 47 L HN 0.761 nan 8.230 nan 0.000 0.411 48 G N 3.750 112.494 108.800 -0.092 0.000 2.753 48 G HA2 0.698 4.650 3.960 -0.012 0.000 0.297 48 G HA3 0.698 4.650 3.960 -0.012 0.000 0.297 48 G C -1.523 173.296 174.900 -0.136 0.000 1.430 48 G CA -0.855 44.187 45.100 -0.097 0.000 1.040 48 G HN 0.686 nan 8.290 nan 0.000 0.530 49 R N -0.145 120.274 120.500 -0.135 0.000 2.930 49 R HA 0.901 5.233 4.340 -0.012 0.000 0.257 49 R C -1.032 175.097 176.300 -0.284 0.000 1.107 49 R CA -1.051 54.913 56.100 -0.227 0.000 0.999 49 R CB 2.563 32.794 30.300 -0.115 0.000 1.209 49 R HN 0.986 nan 8.270 nan 0.000 0.486 50 A N 1.256 123.737 122.820 -0.564 0.000 2.530 50 A HA 0.634 4.947 4.320 -0.012 0.000 0.297 50 A C -1.703 175.472 177.584 -0.681 0.000 1.059 50 A CA -0.644 51.148 52.037 -0.410 0.000 0.782 50 A CB 0.815 19.658 19.000 -0.261 0.000 1.301 50 A HN 0.498 nan 8.150 nan 0.000 0.394 51 F N 0.467 120.433 119.950 0.027 0.000 2.588 51 F HA 0.565 5.058 4.527 -0.057 0.000 0.314 51 F C -0.138 175.773 175.800 0.185 0.000 1.069 51 F CA -0.766 57.291 58.000 0.094 0.000 0.931 51 F CB 1.434 40.435 39.000 0.003 0.000 1.260 51 F HN 0.644 nan 8.300 nan 0.000 0.465 52 Y N 1.412 121.893 120.300 0.302 0.000 2.511 52 Y HA 0.109 4.689 4.550 0.050 0.000 0.332 52 Y C 1.564 177.489 175.900 0.041 0.000 1.177 52 Y CA -0.084 58.023 58.100 0.012 0.000 1.422 52 Y CB 1.163 39.399 38.460 -0.373 0.000 1.271 52 Y HN 0.667 nan 8.280 nan 0.000 0.550 53 S N 1.361 116.826 115.700 -0.392 0.000 2.447 53 S HA -0.064 4.398 4.470 -0.012 0.000 0.233 53 S C 0.006 174.467 174.600 -0.232 0.000 1.006 53 S CA 0.649 58.693 58.200 -0.259 0.000 0.957 53 S CB -0.160 62.893 63.200 -0.244 0.000 0.773 53 S HN 0.641 nan 8.310 nan 0.000 0.507 54 D N 3.594 123.790 120.400 -0.340 0.000 2.256 54 D HA 0.424 5.056 4.640 -0.012 0.000 0.250 54 D C -2.353 174.032 176.300 0.141 0.000 1.093 54 D CA -1.773 52.196 54.000 -0.051 0.000 0.882 54 D CB 1.161 42.009 40.800 0.080 0.000 1.185 54 D HN 0.197 nan 8.370 nan 0.000 0.437 55 P HA 0.285 nan 4.420 nan 0.000 0.277 55 P C -0.505 177.064 177.300 0.450 0.000 1.240 55 P CA -0.508 62.729 63.100 0.228 0.000 0.798 55 P CB 1.112 32.900 31.700 0.148 0.000 0.979 56 I N 1.416 122.210 120.570 0.373 0.000 2.437 56 I HA 0.230 4.393 4.170 -0.012 0.000 0.298 56 I C 0.827 177.048 176.117 0.173 0.000 0.984 56 I CA -0.459 61.021 61.300 0.300 0.000 1.214 56 I CB 1.409 39.473 38.000 0.107 0.000 1.365 56 I HN 0.331 nan 8.210 nan 0.000 0.469 57 Q N 5.407 125.103 119.800 -0.174 0.000 2.349 57 Q HA 0.273 4.605 4.340 -0.012 0.000 0.254 57 Q C 0.066 175.966 176.000 -0.167 0.000 0.980 57 Q CA -0.252 55.114 55.803 -0.728 0.000 0.924 57 Q CB 0.757 28.756 28.738 -1.232 0.000 1.209 57 Q HN 0.569 nan 8.270 nan 0.000 0.445 58 I N 2.657 123.139 120.570 -0.146 0.000 2.385 58 I HA 0.038 4.201 4.170 -0.012 0.000 0.244 58 I C 0.873 177.052 176.117 0.102 0.000 1.089 58 I CA 1.162 62.460 61.300 -0.004 0.000 1.410 58 I CB -0.908 37.094 38.000 0.004 0.000 1.117 58 I HN 0.571 nan 8.210 nan 0.000 0.429 59 K N 1.257 121.691 120.400 0.056 0.000 2.293 59 K HA 0.234 4.546 4.320 -0.012 0.000 0.267 59 K C 0.414 177.052 176.600 0.064 0.000 1.010 59 K CA -0.021 56.340 56.287 0.124 0.000 0.875 59 K CB 0.662 33.204 32.500 0.069 0.000 1.106 59 K HN 0.275 nan 8.250 nan 0.000 0.450 60 D N 1.083 121.555 120.400 0.121 0.000 2.123 60 D HA -0.141 4.492 4.640 -0.012 0.000 0.200 60 D C 1.167 177.414 176.300 -0.089 0.000 0.976 60 D CA 2.927 56.800 54.000 -0.210 0.000 0.831 60 D CB 0.502 41.004 40.800 -0.497 0.000 0.974 60 D HN 0.638 nan 8.370 nan 0.000 0.469 61 S N -3.525 112.173 115.700 -0.002 0.000 6.971 61 S HA 0.056 4.519 4.470 -0.012 0.000 0.065 61 S C 1.501 176.128 174.600 0.044 0.000 1.372 61 S CA 0.349 58.558 58.200 0.016 0.000 1.208 61 S CB -1.170 62.030 63.200 -0.001 0.000 1.531 61 S HN 0.333 nan 8.310 nan 0.000 0.542 62 N N 1.564 120.293 118.700 0.049 0.000 2.397 62 N HA 0.466 5.199 4.740 -0.012 0.000 0.190 62 N C 0.465 176.035 175.510 0.101 0.000 1.099 62 N CA 0.778 53.867 53.050 0.066 0.000 0.876 62 N CB -0.744 37.772 38.487 0.049 0.000 1.143 62 N HN 1.125 nan 8.380 nan 0.000 0.468 63 N N 0.095 118.874 118.700 0.131 0.000 2.509 63 N HA 0.605 5.338 4.740 -0.012 0.000 0.287 63 N C -0.594 175.115 175.510 0.332 0.000 1.121 63 N CA -0.168 53.011 53.050 0.214 0.000 0.977 63 N CB 1.434 40.071 38.487 0.249 0.000 1.167 63 N HN 0.296 nan 8.380 nan 0.000 0.476 64 V N 0.170 120.228 119.914 0.241 0.000 2.667 64 V HA 0.828 4.941 4.120 -0.012 0.000 0.308 64 V C 0.820 176.834 176.094 -0.134 0.000 1.048 64 V CA -1.120 61.272 62.300 0.154 0.000 0.928 64 V CB 1.342 33.261 31.823 0.159 0.000 1.004 64 V HN 1.113 nan 8.190 nan 0.000 0.444 65 A N 2.673 125.219 122.820 -0.456 0.000 2.322 65 A HA 0.698 5.011 4.320 -0.012 0.000 0.269 65 A C 0.288 177.791 177.584 -0.134 0.000 1.094 65 A CA -0.154 51.434 52.037 -0.749 0.000 0.807 65 A CB 0.473 18.943 19.000 -0.883 0.000 1.047 65 A HN 0.764 nan 8.150 nan 0.000 0.487 66 S N -0.071 115.542 115.700 -0.144 0.000 2.593 66 S HA 0.799 5.261 4.470 -0.012 0.000 0.297 66 S C -0.730 173.882 174.600 0.020 0.000 1.112 66 S CA -0.288 57.889 58.200 -0.039 0.000 1.043 66 S CB 0.874 63.985 63.200 -0.148 0.000 1.054 66 S HN 0.834 nan 8.310 nan 0.000 0.516 67 F N 0.514 120.419 119.950 -0.075 0.000 2.643 67 F HA 0.805 5.330 4.527 -0.003 0.000 0.314 67 F C -1.061 174.600 175.800 -0.230 0.000 1.096 67 F CA -1.090 56.755 58.000 -0.258 0.000 0.953 67 F CB 1.378 40.169 39.000 -0.348 0.000 1.345 67 F HN 0.498 nan 8.300 nan 0.000 0.468 68 N N 0.176 118.777 118.700 -0.165 0.000 2.397 68 N HA 0.554 5.286 4.740 -0.012 0.000 0.291 68 N C -1.953 173.511 175.510 -0.076 0.000 1.065 68 N CA -0.161 52.807 53.050 -0.137 0.000 0.884 68 N CB 2.267 40.669 38.487 -0.143 0.000 1.551 68 N HN 0.974 nan 8.380 nan 0.000 0.487 69 T N 1.969 116.584 114.554 0.102 0.000 2.916 69 T HA 0.503 4.845 4.350 -0.012 0.000 0.298 69 T C -1.679 173.209 174.700 0.313 0.000 1.031 69 T CA -0.625 61.631 62.100 0.259 0.000 0.993 69 T CB 0.429 69.562 68.868 0.442 0.000 1.045 69 T HN 0.596 nan 8.240 nan 0.000 0.454 70 N N 3.058 122.001 118.700 0.405 0.000 2.258 70 N HA 0.770 5.502 4.740 -0.012 0.000 0.299 70 N C -1.438 174.435 175.510 0.605 0.000 1.047 70 N CA -0.794 52.446 53.050 0.317 0.000 0.814 70 N CB 1.834 40.423 38.487 0.170 0.000 1.413 70 N HN 0.565 nan 8.380 nan 0.000 0.478 71 F N -1.334 118.825 119.950 0.350 0.000 2.654 71 F HA 0.633 5.159 4.527 -0.002 0.000 0.308 71 F C -0.690 175.251 175.800 0.235 0.000 1.108 71 F CA -0.989 57.252 58.000 0.403 0.000 0.957 71 F CB 1.519 40.815 39.000 0.493 0.000 1.309 71 F HN 0.209 nan 8.300 nan 0.000 0.446 72 T N 1.660 116.425 114.554 0.351 0.000 2.861 72 T HA 0.819 5.162 4.350 -0.012 0.000 0.287 72 T C -1.223 173.591 174.700 0.190 0.000 1.003 72 T CA -0.475 61.680 62.100 0.091 0.000 0.977 72 T CB 1.272 70.142 68.868 0.004 0.000 0.996 72 T HN 1.103 nan 8.240 nan 0.000 0.448 73 F N 2.102 122.065 119.950 0.022 0.000 2.692 73 F HA 0.902 5.422 4.527 -0.013 0.000 0.320 73 F C -1.826 173.974 175.800 -0.001 0.000 1.123 73 F CA -1.791 56.211 58.000 0.004 0.000 0.961 73 F CB 1.226 40.212 39.000 -0.022 0.000 1.383 73 F HN 0.571 nan 8.300 nan 0.000 0.483 74 I N 1.820 122.537 120.570 0.245 0.000 2.607 74 I HA 0.512 4.675 4.170 -0.012 0.000 0.290 74 I C -1.376 174.882 176.117 0.234 0.000 1.129 74 I CA -0.710 60.684 61.300 0.156 0.000 1.042 74 I CB 2.307 40.350 38.000 0.072 0.000 1.242 74 I HN 0.554 nan 8.210 nan 0.000 0.421 75 I N 5.646 126.345 120.570 0.216 0.000 2.418 75 I HA 0.467 4.630 4.170 -0.012 0.000 0.287 75 I C -0.482 175.658 176.117 0.040 0.000 1.008 75 I CA -0.576 60.770 61.300 0.077 0.000 1.104 75 I CB 1.664 39.728 38.000 0.106 0.000 1.264 75 I HN 0.562 nan 8.210 nan 0.000 0.438 76 R N 6.458 126.941 120.500 -0.029 0.000 2.534 76 R HA 0.888 5.221 4.340 -0.012 0.000 0.301 76 R C -1.899 174.374 176.300 -0.045 0.000 0.961 76 R CA -0.361 55.731 56.100 -0.014 0.000 0.871 76 R CB 1.996 32.293 30.300 -0.005 0.000 1.170 76 R HN 0.695 nan 8.270 nan 0.000 0.446 77 A N 3.499 126.306 122.820 -0.023 0.000 2.469 77 A HA 0.358 4.671 4.320 -0.012 0.000 0.299 77 A C 0.397 177.970 177.584 -0.019 0.000 1.098 77 A CA -0.726 51.295 52.037 -0.028 0.000 0.737 77 A CB 1.797 20.788 19.000 -0.016 0.000 1.312 77 A HN 0.883 nan 8.150 nan 0.000 0.414 78 K N -0.042 120.345 120.400 -0.022 0.000 2.057 78 K HA -0.091 4.222 4.320 -0.012 0.000 0.206 78 K C 0.075 176.661 176.600 -0.024 0.000 1.050 78 K CA 1.566 57.841 56.287 -0.020 0.000 0.935 78 K CB 0.042 32.531 32.500 -0.019 0.000 0.715 78 K HN 0.628 nan 8.250 nan 0.000 0.439 79 N N 0.566 119.248 118.700 -0.029 0.000 2.648 79 N HA 0.077 4.809 4.740 -0.012 0.000 0.261 79 N C -0.487 174.995 175.510 -0.047 0.000 1.138 79 N CA -0.091 52.934 53.050 -0.041 0.000 0.804 79 N CB 1.351 39.809 38.487 -0.048 0.000 1.237 79 N HN 0.088 nan 8.380 nan 0.000 0.532 80 Q N 0.339 120.122 119.800 -0.028 0.000 2.297 80 Q HA -0.086 4.247 4.340 -0.012 0.000 0.208 80 Q C 1.107 177.065 176.000 -0.069 0.000 0.981 80 Q CA 1.541 57.354 55.803 0.017 0.000 0.876 80 Q CB 0.195 28.966 28.738 0.055 0.000 0.921 80 Q HN 0.545 nan 8.270 nan 0.000 0.446 81 S N 0.859 116.441 115.700 -0.198 0.000 2.423 81 S HA -0.082 4.380 4.470 -0.012 0.000 0.231 81 S C 1.780 176.041 174.600 -0.566 0.000 1.014 81 S CA 1.092 59.020 58.200 -0.452 0.000 0.965 81 S CB -0.110 62.943 63.200 -0.245 0.000 0.785 81 S HN 0.546 nan 8.310 nan 0.000 0.495 82 I N -1.808 118.608 120.570 -0.257 0.000 4.081 82 I HA 0.349 4.511 4.170 -0.012 0.000 0.333 82 I C 0.000 176.092 176.117 -0.042 0.000 1.413 82 I CA -0.480 60.732 61.300 -0.146 0.000 1.110 82 I CB 0.165 38.114 38.000 -0.086 0.000 1.082 82 I HN -0.137 nan 8.210 nan 0.000 0.402 83 S N 2.238 117.934 115.700 -0.007 0.000 2.559 83 S HA 0.522 4.985 4.470 -0.012 0.000 0.282 83 S C 0.271 174.910 174.600 0.066 0.000 1.336 83 S CA 0.372 58.597 58.200 0.041 0.000 1.037 83 S CB 0.747 64.013 63.200 0.110 0.000 0.853 83 S HN 0.667 nan 8.310 nan 0.000 0.523 84 A N 1.416 124.197 122.820 -0.066 0.000 2.604 84 A HA 0.699 5.011 4.320 -0.012 0.000 0.295 84 A C -1.070 176.474 177.584 -0.066 0.000 1.067 84 A CA -0.588 51.267 52.037 -0.303 0.000 0.683 84 A CB 0.669 18.985 19.000 -1.141 0.000 1.281 84 A HN 0.772 nan 8.150 nan 0.000 0.407 85 Y N 0.717 121.060 120.300 0.073 0.000 2.638 85 Y HA 0.529 5.071 4.550 -0.013 0.000 0.275 85 Y C 1.461 177.398 175.900 0.062 0.000 1.122 85 Y CA 0.726 58.824 58.100 -0.003 0.000 1.266 85 Y CB 1.162 39.522 38.460 -0.168 0.000 1.317 85 Y HN 1.369 nan 8.280 nan 0.000 0.501 86 G N -0.101 108.803 108.800 0.175 0.000 2.341 86 G HA2 0.288 4.241 3.960 -0.012 0.000 0.293 86 G HA3 0.288 4.241 3.960 -0.012 0.000 0.293 86 G C -2.434 172.369 174.900 -0.161 0.000 1.298 86 G CA -0.865 44.270 45.100 0.059 0.000 0.868 86 G HN 0.048 nan 8.290 nan 0.000 0.540 87 L N -0.074 121.101 121.223 -0.080 0.000 2.381 87 L HA 0.903 5.236 4.340 -0.012 0.000 0.268 87 L C -0.043 176.873 176.870 0.076 0.000 0.997 87 L CA -0.772 53.999 54.840 -0.115 0.000 0.818 87 L CB 1.877 43.804 42.059 -0.220 0.000 1.310 87 L HN 1.502 nan 8.230 nan 0.000 0.416 88 A N 3.428 126.279 122.820 0.051 0.000 2.414 88 A HA 0.652 4.964 4.320 -0.012 0.000 0.306 88 A C -1.720 175.944 177.584 0.133 0.000 1.054 88 A CA -0.416 51.669 52.037 0.080 0.000 0.724 88 A CB 1.349 20.331 19.000 -0.030 0.000 1.267 88 A HN 0.604 nan 8.150 nan 0.000 0.418 89 F N 2.359 122.329 119.950 0.034 0.000 2.411 89 F HA 0.726 5.244 4.527 -0.015 0.000 0.352 89 F C 0.041 175.804 175.800 -0.061 0.000 1.123 89 F CA -0.392 57.521 58.000 -0.145 0.000 1.044 89 F CB 1.064 40.072 39.000 0.012 0.000 1.135 89 F HN 0.833 nan 8.300 nan 0.000 0.461 90 A N 6.620 128.931 122.820 -0.847 0.000 2.469 90 A HA 0.806 5.119 4.320 -0.012 0.000 0.299 90 A C -1.848 175.430 177.584 -0.510 0.000 1.098 90 A CA -0.854 50.890 52.037 -0.488 0.000 0.737 90 A CB 1.512 20.380 19.000 -0.220 0.000 1.312 90 A HN 0.758 nan 8.150 nan 0.000 0.414 91 L N 2.211 123.273 121.223 -0.269 0.000 2.305 91 L HA 0.662 4.995 4.340 -0.012 0.000 0.284 91 L C -0.273 176.513 176.870 -0.141 0.000 1.013 91 L CA -0.838 53.886 54.840 -0.195 0.000 0.819 91 L CB 1.069 43.056 42.059 -0.119 0.000 1.227 91 L HN 0.696 nan 8.230 nan 0.000 0.417 92 V N 1.458 121.262 119.914 -0.185 0.000 3.126 92 V HA 0.711 4.823 4.120 -0.012 0.000 0.314 92 V C -2.716 173.256 176.094 -0.203 0.000 1.138 92 V CA -2.785 59.388 62.300 -0.212 0.000 1.034 92 V CB 1.961 33.596 31.823 -0.314 0.000 1.075 92 V HN 0.435 nan 8.190 nan 0.000 0.442 93 P HA 0.092 nan 4.420 nan 0.000 0.267 93 P C 1.062 178.258 177.300 -0.174 0.000 1.200 93 P CA 0.675 63.704 63.100 -0.118 0.000 0.772 93 P CB 0.855 32.495 31.700 -0.100 0.000 0.855 94 V N 1.926 121.772 119.914 -0.114 0.000 2.282 94 V HA -0.242 3.871 4.120 -0.012 0.000 0.249 94 V C 0.905 176.884 176.094 -0.191 0.000 1.057 94 V CA 2.221 64.436 62.300 -0.142 0.000 1.032 94 V CB -0.807 30.976 31.823 -0.067 0.000 0.645 94 V HN 0.448 nan 8.190 nan 0.000 0.447 95 N N 0.876 119.482 118.700 -0.157 0.000 2.275 95 N HA 0.213 4.945 4.740 -0.012 0.000 0.236 95 N C 0.140 175.555 175.510 -0.159 0.000 1.154 95 N CA 0.653 53.610 53.050 -0.154 0.000 0.866 95 N CB 0.375 38.798 38.487 -0.106 0.000 1.093 95 N HN 0.799 nan 8.380 nan 0.000 0.515 96 S N 1.596 117.178 115.700 -0.197 0.000 2.558 96 S HA 0.146 4.609 4.470 -0.012 0.000 0.291 96 S C -2.134 172.377 174.600 -0.147 0.000 1.306 96 S CA -0.677 57.423 58.200 -0.167 0.000 1.056 96 S CB 0.603 63.693 63.200 -0.183 0.000 0.836 96 S HN 0.173 nan 8.310 nan 0.000 0.504 97 P HA 0.455 nan 4.420 nan 0.000 0.283 97 P C -2.889 174.377 177.300 -0.057 0.000 1.271 97 P CA -2.366 60.696 63.100 -0.064 0.000 0.841 97 P CB 0.063 31.728 31.700 -0.058 0.000 1.122 98 P HA 0.067 nan 4.420 nan 0.000 0.271 98 P C 0.067 177.331 177.300 -0.059 0.000 1.216 98 P CA 0.223 63.301 63.100 -0.037 0.000 0.771 98 P CB 0.662 32.346 31.700 -0.026 0.000 0.864 99 Q N 2.144 121.899 119.800 -0.074 0.000 2.997 99 Q HA 0.251 4.583 4.340 -0.012 0.000 0.214 99 Q C 0.549 176.502 176.000 -0.079 0.000 1.153 99 Q CA -0.179 55.573 55.803 -0.085 0.000 0.478 99 Q CB -0.245 28.435 28.738 -0.097 0.000 5.352 99 Q HN 0.401 nan 8.270 nan 0.000 0.337 100 K N 1.185 121.527 120.400 -0.096 0.000 2.168 100 K HA 0.196 4.509 4.320 -0.012 0.000 0.258 100 K C 0.352 176.971 176.600 0.030 0.000 1.010 100 K CA -0.103 56.134 56.287 -0.083 0.000 0.929 100 K CB 0.674 32.997 32.500 -0.296 0.000 0.998 100 K HN 0.202 nan 8.250 nan 0.000 0.479 101 K N 1.533 121.947 120.400 0.023 0.000 2.761 101 K HA 0.089 4.402 4.320 -0.012 0.000 0.286 101 K C 0.272 176.834 176.600 -0.064 0.000 1.019 101 K CA -0.383 55.891 56.287 -0.022 0.000 1.070 101 K CB 0.291 32.767 32.500 -0.041 0.000 1.387 101 K HN 0.561 nan 8.250 nan 0.000 0.509 102 Q N 0.290 119.906 119.800 -0.307 0.000 1.261 102 Q HA -0.274 4.058 4.340 -0.012 0.000 0.355 102 Q C 0.961 176.316 176.000 -1.074 0.000 0.992 102 Q CA 1.886 57.151 55.803 -0.898 0.000 0.652 102 Q CB -0.769 27.608 28.738 -0.601 0.000 4.564 102 Q HN 0.841 nan 8.270 nan 0.000 0.538 103 E N 0.775 120.271 120.200 -1.175 0.000 2.501 103 E HA -0.168 4.174 4.350 -0.012 0.000 0.203 103 E C 1.054 177.335 176.600 -0.531 0.000 1.072 103 E CA 1.495 57.469 56.400 -0.711 0.000 0.885 103 E CB -0.212 29.204 29.700 -0.475 0.000 0.813 103 E HN 0.493 nan 8.360 nan 0.000 0.556 104 F N 0.292 120.138 119.950 -0.175 0.000 2.789 104 F HA 0.233 4.751 4.527 -0.015 0.000 0.300 104 F C 1.140 176.905 175.800 -0.059 0.000 1.132 104 F CA -0.123 57.859 58.000 -0.030 0.000 1.404 104 F CB -0.217 38.770 39.000 -0.021 0.000 1.114 104 F HN -0.134 nan 8.300 nan 0.000 0.584 105 L N 0.592 121.796 121.223 -0.031 0.000 4.111 105 L HA -0.318 4.015 4.340 -0.012 0.000 0.428 105 L C 1.492 178.316 176.870 -0.075 0.000 1.149 105 L CA 0.905 55.702 54.840 -0.072 0.000 0.981 105 L CB -1.843 40.180 42.059 -0.059 0.000 1.914 105 L HN 0.506 nan 8.230 nan 0.000 1.016 106 G N -0.874 107.905 108.800 -0.035 0.000 2.166 106 G HA2 -0.353 3.599 3.960 -0.012 0.000 0.260 106 G HA3 -0.353 3.599 3.960 -0.012 0.000 0.260 106 G C 0.728 175.561 174.900 -0.111 0.000 0.986 106 G CA 0.682 45.746 45.100 -0.060 0.000 0.683 106 G HN 0.874 nan 8.290 nan 0.000 0.527 107 I N -4.735 115.721 120.570 -0.191 0.000 4.288 107 I HA 0.603 4.765 4.170 -0.012 0.000 0.331 107 I C 0.386 176.078 176.117 -0.708 0.000 1.322 107 I CA -0.354 60.668 61.300 -0.464 0.000 1.149 107 I CB 0.184 37.800 38.000 -0.641 0.000 1.112 107 I HN -0.055 nan 8.210 nan 0.000 0.403 108 F N 1.159 121.160 119.950 0.084 0.000 2.664 108 F HA 0.515 5.039 4.527 -0.005 0.000 0.329 108 F C 0.877 176.647 175.800 -0.049 0.000 1.090 108 F CA -1.085 56.969 58.000 0.091 0.000 0.978 108 F CB 1.031 40.169 39.000 0.230 0.000 1.378 108 F HN -0.220 nan 8.300 nan 0.000 0.495 109 N N -1.267 117.476 118.700 0.072 0.000 2.325 109 N HA 0.062 4.795 4.740 -0.012 0.000 0.220 109 N C -0.233 174.970 175.510 -0.512 0.000 1.176 109 N CA 0.466 53.309 53.050 -0.345 0.000 0.861 109 N CB 1.394 39.776 38.487 -0.175 0.000 1.230 109 N HN 0.680 nan 8.380 nan 0.000 0.479 110 T N -2.025 112.478 114.554 -0.085 0.000 2.887 110 T HA 0.372 4.714 4.350 -0.012 0.000 0.292 110 T C 0.297 175.204 174.700 0.345 0.000 1.087 110 T CA -0.672 61.462 62.100 0.056 0.000 1.009 110 T CB 2.046 70.915 68.868 0.002 0.000 1.203 110 T HN -0.221 nan 8.240 nan 0.000 0.518 111 N N 0.517 119.404 118.700 0.311 0.000 2.461 111 N HA 0.094 4.826 4.740 -0.012 0.000 0.188 111 N C -0.224 175.481 175.510 0.325 0.000 1.134 111 N CA 0.188 53.429 53.050 0.319 0.000 0.878 111 N CB -0.113 38.514 38.487 0.233 0.000 0.972 111 N HN 0.585 nan 8.380 nan 0.000 0.456 112 N N 0.400 119.174 118.700 0.122 0.000 2.459 112 N HA 0.343 5.076 4.740 -0.012 0.000 0.288 112 N C -2.748 172.411 175.510 -0.584 0.000 1.186 112 N CA -1.492 51.483 53.050 -0.126 0.000 0.917 112 N CB 1.099 39.521 38.487 -0.109 0.000 1.219 112 N HN -0.128 nan 8.380 nan 0.000 0.525 113 P HA 0.005 nan 4.420 nan 0.000 0.267 113 P C -0.973 176.013 177.300 -0.525 0.000 1.200 113 P CA 0.479 62.820 63.100 -1.265 0.000 0.772 113 P CB 0.439 31.584 31.700 -0.924 0.000 0.855 114 E N 3.603 123.585 120.200 -0.362 0.000 3.786 114 E HA 0.108 4.451 4.350 -0.012 0.000 0.215 114 E C -1.503 175.050 176.600 -0.078 0.000 1.188 114 E CA -1.456 54.858 56.400 -0.143 0.000 1.248 114 E CB 0.498 30.194 29.700 -0.006 0.000 1.260 114 E HN 0.426 nan 8.360 nan 0.000 0.426 115 P HA -0.194 nan 4.420 nan 0.000 0.219 115 P C 0.289 177.578 177.300 -0.019 0.000 1.144 115 P CA 1.206 64.271 63.100 -0.059 0.000 0.806 115 P CB 0.222 31.881 31.700 -0.069 0.000 0.771 116 N N -0.950 117.740 118.700 -0.018 0.000 2.295 116 N HA 0.234 4.966 4.740 -0.012 0.000 0.221 116 N C 1.392 176.911 175.510 0.015 0.000 1.129 116 N CA 0.036 53.083 53.050 -0.005 0.000 0.836 116 N CB -0.012 38.465 38.487 -0.017 0.000 1.040 116 N HN 0.067 nan 8.380 nan 0.000 0.494 117 A N 0.606 123.460 122.820 0.055 0.000 2.081 117 A HA 0.071 4.384 4.320 -0.012 0.000 0.214 117 A C 0.954 178.570 177.584 0.054 0.000 1.158 117 A CA 0.203 52.296 52.037 0.094 0.000 0.724 117 A CB 0.214 19.383 19.000 0.282 0.000 0.826 117 A HN 0.171 nan 8.150 nan 0.000 0.463 118 R N 0.011 120.543 120.500 0.053 0.000 3.627 118 R HA -0.127 4.206 4.340 -0.012 0.000 0.281 118 R C -0.752 175.563 176.300 0.026 0.000 1.140 118 R CA 1.277 57.395 56.100 0.030 0.000 0.761 118 R CB -3.095 27.208 30.300 0.005 0.000 1.181 118 R HN 0.511 nan 8.270 nan 0.000 0.472 119 T N -0.609 113.990 114.554 0.076 0.000 2.888 119 T HA 0.643 4.985 4.350 -0.012 0.000 0.284 119 T C -0.238 174.534 174.700 0.119 0.000 1.017 119 T CA -0.519 61.609 62.100 0.046 0.000 1.022 119 T CB 2.924 71.757 68.868 -0.058 0.000 1.013 119 T HN -0.047 nan 8.240 nan 0.000 0.465 120 V N 1.794 121.752 119.914 0.073 0.000 2.623 120 V HA 0.827 4.939 4.120 -0.012 0.000 0.304 120 V C -0.738 175.429 176.094 0.121 0.000 1.054 120 V CA -0.501 61.866 62.300 0.113 0.000 0.882 120 V CB 1.594 33.511 31.823 0.157 0.000 1.002 120 V HN 1.152 nan 8.190 nan 0.000 0.424 121 A N 4.456 127.367 122.820 0.152 0.000 2.539 121 A HA 0.913 5.226 4.320 -0.012 0.000 0.296 121 A C -1.529 176.211 177.584 0.260 0.000 1.073 121 A CA -0.574 51.552 52.037 0.149 0.000 0.700 121 A CB 2.316 21.346 19.000 0.049 0.000 1.296 121 A HN 0.677 nan 8.150 nan 0.000 0.405 122 V N 1.983 122.049 119.914 0.254 0.000 2.326 122 V HA 0.391 4.503 4.120 -0.012 0.000 0.281 122 V C -0.468 175.536 176.094 -0.150 0.000 1.015 122 V CA -0.440 61.956 62.300 0.159 0.000 0.823 122 V CB 1.159 33.113 31.823 0.219 0.000 1.009 122 V HN 0.645 nan 8.190 nan 0.000 0.436 123 V N 5.538 125.356 119.914 -0.160 0.000 2.407 123 V HA 0.420 4.533 4.120 -0.012 0.000 0.278 123 V C -0.285 175.627 176.094 -0.303 0.000 1.037 123 V CA -0.395 61.789 62.300 -0.194 0.000 0.900 123 V CB 1.214 33.029 31.823 -0.013 0.000 0.983 123 V HN 0.680 nan 8.190 nan 0.000 0.459 124 F N 3.402 123.422 119.950 0.116 0.000 2.425 124 F HA 0.319 4.836 4.527 -0.016 0.000 0.354 124 F C 1.012 176.730 175.800 -0.137 0.000 1.162 124 F CA -0.722 57.319 58.000 0.067 0.000 1.250 124 F CB -0.150 38.828 39.000 -0.037 0.000 1.579 124 F HN 0.427 nan 8.300 nan 0.000 0.589 125 N N 1.577 120.355 118.700 0.130 0.000 2.400 125 N HA -0.050 4.683 4.740 -0.012 0.000 0.278 125 N C 1.245 176.826 175.510 0.119 0.000 1.247 125 N CA 0.447 53.581 53.050 0.140 0.000 0.970 125 N CB 0.740 39.338 38.487 0.184 0.000 1.312 125 N HN 0.438 nan 8.380 nan 0.000 0.488 126 T N 2.893 117.458 114.554 0.019 0.000 2.985 126 T HA -0.046 4.296 4.350 -0.012 0.000 0.266 126 T C 1.424 176.259 174.700 0.226 0.000 1.076 126 T CA 0.419 62.529 62.100 0.016 0.000 1.135 126 T CB -0.164 68.693 68.868 -0.019 0.000 0.890 126 T HN 0.501 nan 8.240 nan 0.000 0.480 127 F N 2.293 122.294 119.950 0.085 0.000 2.060 127 F HA 0.111 4.631 4.527 -0.012 0.000 0.295 127 F C 1.893 177.768 175.800 0.126 0.000 1.120 127 F CA 1.235 59.288 58.000 0.089 0.000 1.205 127 F CB -0.123 38.950 39.000 0.122 0.000 0.986 127 F HN -0.106 nan 8.300 nan 0.000 0.470 128 K N 0.641 121.080 120.400 0.065 0.000 2.426 128 K HA -0.013 4.300 4.320 -0.012 0.000 0.193 128 K C -0.003 176.596 176.600 -0.002 0.000 1.028 128 K CA 0.383 56.621 56.287 -0.082 0.000 1.047 128 K CB -1.029 31.459 32.500 -0.020 0.000 0.821 128 K HN 0.502 nan 8.250 nan 0.000 0.513 129 N N 1.413 120.141 118.700 0.047 0.000 2.726 129 N HA -0.221 4.512 4.740 -0.012 0.000 0.253 129 N C -1.071 174.550 175.510 0.185 0.000 1.059 129 N CA 0.383 53.479 53.050 0.077 0.000 0.701 129 N CB -0.343 38.031 38.487 -0.189 0.000 0.899 129 N HN 0.378 nan 8.380 nan 0.000 0.548 130 R N -0.827 119.872 120.500 0.331 0.000 2.741 130 R HA 0.557 4.890 4.340 -0.012 0.000 0.274 130 R C -1.256 175.284 176.300 0.400 0.000 1.029 130 R CA -0.950 55.316 56.100 0.276 0.000 0.880 130 R CB 0.825 31.211 30.300 0.144 0.000 1.264 130 R HN 0.001 nan 8.270 nan 0.000 0.465 131 I N 1.570 122.317 120.570 0.295 0.000 2.339 131 I HA 0.313 4.476 4.170 -0.012 0.000 0.290 131 I C -0.878 175.323 176.117 0.141 0.000 0.994 131 I CA -0.737 60.715 61.300 0.252 0.000 1.191 131 I CB 1.590 39.736 38.000 0.244 0.000 1.343 131 I HN 0.438 nan 8.210 nan 0.000 0.458 132 D N 5.981 126.436 120.400 0.091 0.000 2.185 132 D HA 0.311 4.944 4.640 -0.012 0.000 0.247 132 D C -0.905 175.490 176.300 0.159 0.000 1.027 132 D CA -0.144 53.917 54.000 0.102 0.000 0.861 132 D CB 2.274 43.113 40.800 0.066 0.000 1.202 132 D HN 0.199 nan 8.370 nan 0.000 0.453 133 F N 2.544 122.532 119.950 0.064 0.000 2.325 133 F HA 0.307 4.825 4.527 -0.015 0.000 0.369 133 F C -0.942 174.938 175.800 0.133 0.000 1.095 133 F CA -0.981 57.080 58.000 0.102 0.000 1.082 133 F CB 0.583 39.665 39.000 0.137 0.000 1.289 133 F HN -0.012 nan 8.300 nan 0.000 0.462 134 D N 5.660 125.815 120.400 -0.407 0.000 2.168 134 D HA 0.324 4.956 4.640 -0.012 0.000 0.246 134 D C -0.652 175.356 176.300 -0.487 0.000 1.050 134 D CA -0.275 53.515 54.000 -0.350 0.000 0.857 134 D CB 1.723 42.531 40.800 0.014 0.000 1.169 134 D HN 0.452 nan 8.370 nan 0.000 0.453 135 K N 2.224 122.372 120.400 -0.419 0.000 2.521 135 K HA 0.197 4.510 4.320 -0.012 0.000 0.248 135 K C -0.292 176.256 176.600 -0.088 0.000 0.978 135 K CA -0.602 55.517 56.287 -0.280 0.000 0.947 135 K CB 0.924 33.196 32.500 -0.380 0.000 1.165 135 K HN 0.274 nan 8.250 nan 0.000 0.445 136 N N 1.813 120.541 118.700 0.047 0.000 2.686 136 N HA -0.261 4.472 4.740 -0.012 0.000 0.249 136 N C -1.069 174.309 175.510 -0.220 0.000 1.082 136 N CA 1.312 54.380 53.050 0.029 0.000 0.725 136 N CB -0.637 37.857 38.487 0.011 0.000 1.009 136 N HN 0.404 nan 8.380 nan 0.000 0.545 137 F N -0.301 119.193 119.950 -0.760 0.000 2.639 137 F HA 0.237 4.756 4.527 -0.014 0.000 0.320 137 F C 0.436 175.721 175.800 -0.859 0.000 1.128 137 F CA -1.284 56.290 58.000 -0.710 0.000 1.037 137 F CB 0.354 39.159 39.000 -0.325 0.000 1.288 137 F HN -0.194 nan 8.300 nan 0.000 0.463 138 I N 2.855 123.209 120.570 -0.360 0.000 2.614 138 I HA -0.015 4.148 4.170 -0.012 0.000 0.258 138 I C 0.874 176.833 176.117 -0.263 0.000 1.189 138 I CA 1.121 62.282 61.300 -0.232 0.000 1.462 138 I CB -0.519 37.516 38.000 0.059 0.000 1.092 138 I HN 0.208 nan 8.210 nan 0.000 0.442 139 K N 3.360 123.396 120.400 -0.608 0.000 2.276 139 K HA 0.284 4.597 4.320 -0.012 0.000 0.285 139 K C -2.411 173.887 176.600 -0.502 0.000 1.062 139 K CA -2.257 53.652 56.287 -0.630 0.000 0.918 139 K CB 0.655 32.552 32.500 -1.005 0.000 1.055 139 K HN 0.006 nan 8.250 nan 0.000 0.477 140 P HA -0.101 nan 4.420 nan 0.000 0.267 140 P C 0.176 177.438 177.300 -0.064 0.000 1.200 140 P CA 0.042 63.064 63.100 -0.129 0.000 0.772 140 P CB 0.459 32.135 31.700 -0.040 0.000 0.855 141 Y N 3.096 123.304 120.300 -0.154 0.000 2.365 141 Y HA 0.219 4.762 4.550 -0.012 0.000 0.293 141 Y C 0.460 176.386 175.900 0.043 0.000 1.119 141 Y CA 0.837 58.901 58.100 -0.059 0.000 1.203 141 Y CB 0.436 38.853 38.460 -0.070 0.000 1.026 141 Y HN 0.187 nan 8.280 nan 0.000 0.549 142 V N 1.883 121.872 119.914 0.125 0.000 2.852 142 V HA 0.373 4.486 4.120 -0.012 0.000 0.300 142 V C -1.949 174.216 176.094 0.117 0.000 1.205 142 V CA -0.453 61.880 62.300 0.055 0.000 0.940 142 V CB 1.851 33.744 31.823 0.117 0.000 1.047 142 V HN 0.506 nan 8.190 nan 0.000 0.429 143 N N 3.284 122.018 118.700 0.058 0.000 2.284 143 N HA 0.777 5.510 4.740 -0.012 0.000 0.289 143 N C -1.429 174.115 175.510 0.057 0.000 1.179 143 N CA -0.701 52.392 53.050 0.070 0.000 0.774 143 N CB 2.346 40.860 38.487 0.046 0.000 1.548 143 N HN 0.597 nan 8.380 nan 0.000 0.473 144 E N 0.520 120.764 120.200 0.075 0.000 2.275 144 E HA 0.414 4.757 4.350 -0.012 0.000 0.270 144 E C -1.545 175.099 176.600 0.074 0.000 0.882 144 E CA -0.524 55.913 56.400 0.061 0.000 0.758 144 E CB 0.980 30.714 29.700 0.057 0.000 1.195 144 E HN 0.639 nan 8.360 nan 0.000 0.419 145 N N 2.286 121.017 118.700 0.052 0.000 2.492 145 N HA 0.264 4.997 4.740 -0.012 0.000 0.262 145 N C -1.292 174.240 175.510 0.036 0.000 1.202 145 N CA 0.357 53.436 53.050 0.048 0.000 0.926 145 N CB 0.684 39.190 38.487 0.032 0.000 1.078 145 N HN 0.441 nan 8.380 nan 0.000 0.454 146 c N 2.172 120.772 118.600 0.001 0.000 2.642 146 c HA 0.213 4.776 4.570 -0.012 0.000 0.344 146 c C -0.975 172.989 174.090 -0.209 0.000 1.110 146 c CA -0.975 55.288 56.329 -0.110 0.000 1.298 146 c CB 0.812 43.183 42.510 -0.231 0.000 1.827 146 c HN 0.671 nan 8.230 nan 0.000 0.467 147 D N 4.012 124.369 120.400 -0.072 0.000 2.551 147 D HA 0.170 4.802 4.640 -0.012 0.000 0.223 147 D C 0.831 177.093 176.300 -0.064 0.000 1.144 147 D CA 0.026 54.004 54.000 -0.037 0.000 1.025 147 D CB -0.037 40.802 40.800 0.066 0.000 1.085 147 D HN 0.578 nan 8.370 nan 0.000 0.506 148 F N 0.801 120.822 119.950 0.118 0.000 2.186 148 F HA -0.123 4.397 4.527 -0.011 0.000 0.299 148 F C 2.315 178.158 175.800 0.071 0.000 1.090 148 F CA 0.721 58.824 58.000 0.172 0.000 1.307 148 F CB -0.297 38.823 39.000 0.201 0.000 1.019 148 F HN 0.425 nan 8.300 nan 0.000 0.489 149 H N 0.010 119.194 119.070 0.191 0.000 2.460 149 H HA -0.156 4.392 4.556 -0.013 0.000 0.297 149 H C 2.126 177.398 175.328 -0.094 0.000 1.103 149 H CA 1.613 57.691 56.048 0.050 0.000 1.292 149 H CB -0.248 29.526 29.762 0.019 0.000 1.376 149 H HN 0.302 nan 8.280 nan 0.000 0.531 150 K N -0.409 119.911 120.400 -0.134 0.000 2.262 150 K HA -0.022 4.291 4.320 -0.012 0.000 0.200 150 K C 0.885 177.070 176.600 -0.691 0.000 1.058 150 K CA 0.353 56.343 56.287 -0.495 0.000 0.974 150 K CB 0.262 32.290 32.500 -0.786 0.000 0.910 150 K HN 0.066 nan 8.250 nan 0.000 0.484 151 Y N 1.109 121.219 120.300 -0.317 0.000 2.457 151 Y HA 0.270 4.812 4.550 -0.013 0.000 0.263 151 Y C 0.481 176.188 175.900 -0.322 0.000 1.164 151 Y CA -0.727 57.036 58.100 -0.561 0.000 1.274 151 Y CB -0.229 37.428 38.460 -1.337 0.000 1.097 151 Y HN 0.025 nan 8.280 nan 0.000 0.523 152 N N 0.245 118.993 118.700 0.080 0.000 2.263 152 N HA 0.218 4.950 4.740 -0.012 0.000 0.239 152 N C 1.418 177.012 175.510 0.140 0.000 1.317 152 N CA 1.536 54.752 53.050 0.276 0.000 0.909 152 N CB 0.194 38.868 38.487 0.312 0.000 1.171 152 N HN 0.391 nan 8.380 nan 0.000 0.492 153 G N -0.759 108.122 108.800 0.135 0.000 2.141 153 G HA2 -0.214 3.739 3.960 -0.012 0.000 0.242 153 G HA3 -0.214 3.739 3.960 -0.012 0.000 0.242 153 G C -0.462 174.476 174.900 0.064 0.000 0.982 153 G CA 0.640 45.784 45.100 0.073 0.000 0.662 153 G HN 0.797 nan 8.290 nan 0.000 0.527 154 E N -1.879 118.374 120.200 0.088 0.000 2.392 154 E HA 0.693 5.035 4.350 -0.012 0.000 0.279 154 E C -0.117 176.488 176.600 0.008 0.000 0.964 154 E CA -0.616 55.815 56.400 0.051 0.000 0.777 154 E CB 0.762 30.501 29.700 0.065 0.000 1.249 154 E HN 0.767 nan 8.360 nan 0.000 0.449 155 K N 1.126 121.497 120.400 -0.048 0.000 2.511 155 K HA 0.212 4.524 4.320 -0.012 0.000 0.280 155 K C -0.269 176.182 176.600 -0.247 0.000 1.008 155 K CA 0.520 56.726 56.287 -0.135 0.000 1.050 155 K CB 0.082 32.524 32.500 -0.096 0.000 0.889 155 K HN 0.472 nan 8.250 nan 0.000 0.484 156 T N 3.077 117.325 114.554 -0.510 0.000 2.824 156 T HA 0.401 4.743 4.350 -0.012 0.000 0.282 156 T C -1.228 173.057 174.700 -0.691 0.000 0.993 156 T CA -0.619 61.060 62.100 -0.701 0.000 0.967 156 T CB 1.093 69.301 68.868 -1.100 0.000 0.960 156 T HN 0.650 nan 8.240 nan 0.000 0.441 157 D N 2.213 122.334 120.400 -0.465 0.000 2.232 157 D HA 0.530 5.162 4.640 -0.012 0.000 0.242 157 D C -0.395 175.694 176.300 -0.352 0.000 1.093 157 D CA -0.191 53.618 54.000 -0.318 0.000 0.845 157 D CB 1.657 42.374 40.800 -0.139 0.000 1.124 157 D HN 0.161 nan 8.370 nan 0.000 0.467 158 V N 2.235 121.853 119.914 -0.494 0.000 2.715 158 V HA 0.476 4.588 4.120 -0.012 0.000 0.310 158 V C -0.256 175.620 176.094 -0.364 0.000 1.054 158 V CA -0.814 61.171 62.300 -0.525 0.000 0.928 158 V CB 2.063 33.303 31.823 -0.973 0.000 1.007 158 V HN 0.437 nan 8.190 nan 0.000 0.437 159 Q N 3.484 123.240 119.800 -0.073 0.000 2.274 159 Q HA 0.655 4.988 4.340 -0.012 0.000 0.268 159 Q C -1.938 174.159 176.000 0.162 0.000 1.015 159 Q CA -0.473 55.380 55.803 0.083 0.000 0.775 159 Q CB 1.933 30.767 28.738 0.161 0.000 1.256 159 Q HN 0.774 nan 8.270 nan 0.000 0.442 160 I N 3.526 124.167 120.570 0.119 0.000 2.436 160 I HA 0.455 4.618 4.170 -0.012 0.000 0.289 160 I C -0.317 175.775 176.117 -0.041 0.000 1.010 160 I CA -0.827 60.508 61.300 0.058 0.000 1.098 160 I CB 2.037 40.104 38.000 0.112 0.000 1.266 160 I HN 0.682 nan 8.210 nan 0.000 0.434 161 T N 1.934 116.403 114.554 -0.143 0.000 2.907 161 T HA 0.608 4.950 4.350 -0.012 0.000 0.292 161 T C -1.193 173.270 174.700 -0.394 0.000 1.043 161 T CA -0.858 61.079 62.100 -0.272 0.000 1.003 161 T CB 2.342 71.145 68.868 -0.107 0.000 1.084 161 T HN 0.443 nan 8.240 nan 0.000 0.483 162 Y N 1.155 121.029 120.300 -0.711 0.000 2.386 162 Y HA 0.530 5.073 4.550 -0.011 0.000 0.334 162 Y C -1.693 173.984 175.900 -0.371 0.000 1.002 162 Y CA -1.122 56.631 58.100 -0.578 0.000 1.068 162 Y CB 1.875 39.897 38.460 -0.730 0.000 1.203 162 Y HN 0.828 nan 8.280 nan 0.000 0.443 163 D N 3.072 122.938 120.400 -0.891 0.000 2.381 163 D HA 0.207 4.840 4.640 -0.012 0.000 0.235 163 D C 0.467 176.207 176.300 -0.933 0.000 1.068 163 D CA -0.050 53.557 54.000 -0.655 0.000 0.832 163 D CB 1.708 42.265 40.800 -0.405 0.000 1.101 163 D HN 0.624 nan 8.370 nan 0.000 0.515 164 S N 1.527 116.847 115.700 -0.635 0.000 2.481 164 S HA -0.100 4.362 4.470 -0.012 0.000 0.231 164 S C 1.732 176.188 174.600 -0.241 0.000 0.996 164 S CA 0.357 58.318 58.200 -0.400 0.000 0.942 164 S CB 0.053 63.221 63.200 -0.054 0.000 0.768 164 S HN 0.321 nan 8.310 nan 0.000 0.520 165 S N 3.351 118.917 115.700 -0.223 0.000 2.368 165 S HA -0.068 4.394 4.470 -0.012 0.000 0.224 165 S C 1.388 175.909 174.600 -0.132 0.000 1.029 165 S CA 1.505 59.626 58.200 -0.133 0.000 0.988 165 S CB -0.425 62.708 63.200 -0.112 0.000 0.838 165 S HN 0.939 nan 8.310 nan 0.000 0.462 166 N N 0.503 119.086 118.700 -0.196 0.000 2.184 166 N HA 0.201 4.934 4.740 -0.012 0.000 0.206 166 N C -0.507 174.873 175.510 -0.218 0.000 1.151 166 N CA -0.205 52.749 53.050 -0.161 0.000 0.878 166 N CB -0.181 38.224 38.487 -0.138 0.000 1.014 166 N HN 0.007 nan 8.380 nan 0.000 0.512 167 N N 1.458 119.949 118.700 -0.347 0.000 2.725 167 N HA -0.150 4.583 4.740 -0.012 0.000 0.251 167 N C -1.496 173.854 175.510 -0.267 0.000 1.031 167 N CA 1.622 54.435 53.050 -0.395 0.000 0.720 167 N CB -1.106 37.123 38.487 -0.430 0.000 0.930 167 N HN 0.719 nan 8.380 nan 0.000 0.543 168 D N -0.695 119.482 120.400 -0.372 0.000 2.505 168 D HA 0.473 5.105 4.640 -0.012 0.000 0.249 168 D C -0.209 175.984 176.300 -0.179 0.000 1.082 168 D CA -0.757 53.126 54.000 -0.195 0.000 0.839 168 D CB 1.256 41.964 40.800 -0.154 0.000 1.317 168 D HN 0.054 nan 8.370 nan 0.000 0.497 169 L N 1.839 123.009 121.223 -0.088 0.000 2.289 169 L HA 0.548 4.881 4.340 -0.012 0.000 0.285 169 L C -0.538 176.184 176.870 -0.247 0.000 1.049 169 L CA -0.113 54.644 54.840 -0.139 0.000 0.804 169 L CB 0.720 42.592 42.059 -0.312 0.000 1.195 169 L HN 0.421 nan 8.230 nan 0.000 0.428 170 R N 4.337 124.669 120.500 -0.281 0.000 2.532 170 R HA 0.606 4.939 4.340 -0.012 0.000 0.297 170 R C -1.677 174.285 176.300 -0.564 0.000 0.984 170 R CA -0.765 55.069 56.100 -0.443 0.000 0.884 170 R CB 2.138 32.173 30.300 -0.442 0.000 1.182 170 R HN 0.469 nan 8.270 nan 0.000 0.442 171 V N 4.646 124.219 119.914 -0.568 0.000 2.417 171 V HA 0.511 4.623 4.120 -0.012 0.000 0.291 171 V C -0.831 174.973 176.094 -0.482 0.000 1.024 171 V CA -0.649 61.438 62.300 -0.355 0.000 0.861 171 V CB 1.303 33.095 31.823 -0.052 0.000 0.985 171 V HN 0.516 nan 8.190 nan 0.000 0.436 172 F N 5.174 125.141 119.950 0.027 0.000 2.434 172 F HA 0.573 5.091 4.527 -0.014 0.000 0.355 172 F C -0.224 175.557 175.800 -0.030 0.000 1.115 172 F CA -0.463 57.532 58.000 -0.009 0.000 1.010 172 F CB 1.448 40.419 39.000 -0.049 0.000 1.234 172 F HN 0.324 nan 8.300 nan 0.000 0.439 173 L N 4.584 125.882 121.223 0.125 0.000 2.307 173 L HA 0.525 4.858 4.340 -0.012 0.000 0.282 173 L C -0.833 175.994 176.870 -0.071 0.000 1.051 173 L CA -0.370 54.445 54.840 -0.041 0.000 0.804 173 L CB 1.091 43.114 42.059 -0.060 0.000 1.197 173 L HN 0.722 nan 8.230 nan 0.000 0.431 174 H N 5.037 123.930 119.070 -0.295 0.000 2.823 174 H HA 0.299 4.847 4.556 -0.013 0.000 0.332 174 H C -1.557 173.604 175.328 -0.278 0.000 0.980 174 H CA -0.845 55.069 56.048 -0.222 0.000 1.286 174 H CB 1.007 30.689 29.762 -0.132 0.000 1.541 174 H HN 0.529 nan 8.280 nan 0.000 0.521 175 F N 3.988 123.795 119.950 -0.238 0.000 2.471 175 F HA 0.023 4.543 4.527 -0.011 0.000 0.365 175 F C 2.069 177.536 175.800 -0.555 0.000 1.095 175 F CA -0.076 57.734 58.000 -0.316 0.000 1.174 175 F CB 1.465 40.360 39.000 -0.176 0.000 1.105 175 F HN 0.605 nan 8.300 nan 0.000 0.535 176 T N -1.030 113.271 114.554 -0.422 0.000 2.881 176 T HA -0.114 4.228 4.350 -0.012 0.000 0.270 176 T C 1.459 176.040 174.700 -0.198 0.000 1.068 176 T CA 1.451 63.276 62.100 -0.458 0.000 1.131 176 T CB -0.344 68.357 68.868 -0.279 0.000 0.871 176 T HN 0.390 nan 8.240 nan 0.000 0.479 177 V N 1.436 121.294 119.914 -0.092 0.000 2.806 177 V HA 0.059 4.171 4.120 -0.012 0.000 0.239 177 V C 2.890 178.971 176.094 -0.021 0.000 1.113 177 V CA 0.949 63.227 62.300 -0.037 0.000 1.137 177 V CB -0.176 31.640 31.823 -0.012 0.000 0.865 177 V HN 0.644 nan 8.190 nan 0.000 0.482 178 S N -0.247 115.440 115.700 -0.021 0.000 2.474 178 S HA -0.216 4.246 4.470 -0.012 0.000 0.235 178 S C 1.444 175.988 174.600 -0.094 0.000 0.997 178 S CA 1.275 59.444 58.200 -0.053 0.000 0.949 178 S CB -0.191 62.961 63.200 -0.080 0.000 0.766 178 S HN 0.506 nan 8.310 nan 0.000 0.517 179 Q N -0.702 119.075 119.800 -0.039 0.000 2.305 179 Q HA -0.155 4.178 4.340 -0.012 0.000 0.203 179 Q C -0.321 175.736 176.000 0.096 0.000 0.663 179 Q CA 0.940 56.791 55.803 0.079 0.000 1.389 179 Q CB -2.314 26.466 28.738 0.071 0.000 1.566 179 Q HN 0.565 nan 8.270 nan 0.000 0.755 180 V N 1.364 121.239 119.914 -0.066 0.000 2.763 180 V HA 0.119 4.231 4.120 -0.012 0.000 0.306 180 V C 0.772 176.995 176.094 0.216 0.000 1.059 180 V CA 0.658 62.907 62.300 -0.085 0.000 1.138 180 V CB 1.207 32.693 31.823 -0.562 0.000 0.940 180 V HN 0.086 nan 8.190 nan 0.000 0.489 181 K N 2.518 122.991 120.400 0.122 0.000 2.318 181 K HA 0.708 5.020 4.320 -0.012 0.000 0.249 181 K C -1.332 175.316 176.600 0.081 0.000 0.942 181 K CA -0.418 55.930 56.287 0.101 0.000 0.808 181 K CB 2.057 34.582 32.500 0.042 0.000 1.189 181 K HN 0.716 nan 8.250 nan 0.000 0.428 182 c N 0.529 119.168 118.600 0.066 0.000 3.090 182 c HA 0.710 5.272 4.570 -0.012 0.000 0.305 182 c C -0.843 173.294 174.090 0.078 0.000 1.292 182 c CA -0.673 55.696 56.329 0.067 0.000 1.482 182 c CB 1.748 44.294 42.510 0.060 0.000 1.897 182 c HN 0.985 nan 8.230 nan 0.000 0.469 183 S N 0.258 115.992 115.700 0.056 0.000 2.565 183 S HA 0.790 5.253 4.470 -0.012 0.000 0.274 183 S C -1.560 173.022 174.600 -0.030 0.000 1.144 183 S CA -0.651 57.546 58.200 -0.005 0.000 0.849 183 S CB 1.161 64.358 63.200 -0.004 0.000 1.103 183 S HN 1.397 nan 8.310 nan 0.000 0.455 184 V N 0.541 120.401 119.914 -0.091 0.000 3.159 184 V HA 0.936 5.048 4.120 -0.012 0.000 0.308 184 V C -1.427 174.582 176.094 -0.141 0.000 1.190 184 V CA -0.257 62.006 62.300 -0.062 0.000 1.037 184 V CB 2.306 34.137 31.823 0.013 0.000 1.060 184 V HN 1.309 nan 8.190 nan 0.000 0.437 185 S N 2.216 117.855 115.700 -0.101 0.000 2.546 185 S HA 0.992 5.455 4.470 -0.012 0.000 0.274 185 S C -0.729 173.832 174.600 -0.065 0.000 1.121 185 S CA -0.038 58.083 58.200 -0.132 0.000 0.887 185 S CB 1.727 64.857 63.200 -0.116 0.000 1.094 185 S HN 1.563 nan 8.310 nan 0.000 0.474 186 A N 1.155 123.923 122.820 -0.087 0.000 2.606 186 A HA 0.835 5.148 4.320 -0.012 0.000 0.293 186 A C -0.932 176.677 177.584 0.043 0.000 1.082 186 A CA -0.790 51.281 52.037 0.056 0.000 0.685 186 A CB 1.345 20.452 19.000 0.178 0.000 1.284 186 A HN 0.568 nan 8.150 nan 0.000 0.408 187 T N 1.516 116.181 114.554 0.184 0.000 2.743 187 T HA 0.584 4.927 4.350 -0.012 0.000 0.292 187 T C -0.322 174.485 174.700 0.179 0.000 0.972 187 T CA -0.246 61.927 62.100 0.123 0.000 0.967 187 T CB 0.470 69.407 68.868 0.115 0.000 0.926 187 T HN 0.987 nan 8.240 nan 0.000 0.459 188 V N 1.828 121.809 119.914 0.112 0.000 2.962 188 V HA 0.499 4.612 4.120 -0.012 0.000 0.313 188 V C -0.602 175.510 176.094 0.029 0.000 1.099 188 V CA -1.140 61.240 62.300 0.132 0.000 0.971 188 V CB 2.181 34.108 31.823 0.173 0.000 1.028 188 V HN 0.803 nan 8.190 nan 0.000 0.430 189 H N 2.986 122.155 119.070 0.165 0.000 2.539 189 H HA 0.421 4.969 4.556 -0.013 0.000 0.247 189 H C 0.870 176.252 175.328 0.090 0.000 1.363 189 H CA -0.279 55.868 56.048 0.164 0.000 1.371 189 H CB 1.545 31.371 29.762 0.106 0.000 1.438 189 H HN 0.601 nan 8.280 nan 0.000 0.523 190 L N 1.388 122.644 121.223 0.056 0.000 2.034 190 L HA -0.308 4.024 4.340 -0.012 0.000 0.217 190 L C 1.775 178.676 176.870 0.051 0.000 1.077 190 L CA 1.824 56.632 54.840 -0.054 0.000 0.769 190 L CB -0.021 41.886 42.059 -0.253 0.000 0.890 190 L HN 0.546 nan 8.230 nan 0.000 0.435 191 E N -0.076 120.188 120.200 0.107 0.000 2.333 191 E HA -0.232 4.111 4.350 -0.012 0.000 0.200 191 E C 1.580 178.232 176.600 0.086 0.000 1.010 191 E CA 1.103 57.564 56.400 0.102 0.000 0.841 191 E CB -0.221 29.556 29.700 0.129 0.000 0.757 191 E HN 0.473 nan 8.360 nan 0.000 0.508 192 K N 0.035 120.495 120.400 0.099 0.000 2.374 192 K HA 0.096 4.409 4.320 -0.012 0.000 0.196 192 K C 0.859 177.487 176.600 0.047 0.000 1.023 192 K CA 0.285 56.612 56.287 0.067 0.000 1.103 192 K CB 0.532 33.073 32.500 0.068 0.000 0.848 192 K HN 0.089 nan 8.250 nan 0.000 0.528 193 E N 0.176 120.405 120.200 0.048 0.000 2.421 193 E HA 0.030 4.372 4.350 -0.012 0.000 0.209 193 E C 0.932 177.551 176.600 0.031 0.000 0.871 193 E CA 0.357 56.777 56.400 0.034 0.000 1.064 193 E CB 0.765 30.486 29.700 0.035 0.000 1.075 193 E HN 0.098 nan 8.360 nan 0.000 0.513 194 V N -0.814 119.118 119.914 0.031 0.000 3.126 194 V HA 0.537 4.649 4.120 -0.012 0.000 0.314 194 V C -0.263 175.850 176.094 0.031 0.000 1.138 194 V CA -1.104 61.210 62.300 0.023 0.000 1.034 194 V CB 2.155 33.986 31.823 0.012 0.000 1.075 194 V HN -0.223 nan 8.190 nan 0.000 0.442 195 D N 0.275 120.695 120.400 0.034 0.000 2.414 195 D HA 0.193 4.825 4.640 -0.012 0.000 0.251 195 D C 0.933 177.268 176.300 0.059 0.000 1.252 195 D CA -0.147 53.887 54.000 0.056 0.000 0.999 195 D CB 1.118 41.961 40.800 0.072 0.000 1.093 195 D HN 0.839 nan 8.370 nan 0.000 0.515 196 E N -0.772 119.476 120.200 0.080 0.000 2.153 196 E HA -0.119 4.223 4.350 -0.012 0.000 0.194 196 E C -0.294 176.221 176.600 -0.142 0.000 0.988 196 E CA 0.944 57.345 56.400 0.001 0.000 0.811 196 E CB 0.278 30.025 29.700 0.078 0.000 0.746 196 E HN 0.341 nan 8.360 nan 0.000 0.466 197 W N -0.022 121.307 121.300 0.048 0.000 2.839 197 W HA 0.357 5.006 4.660 -0.018 0.000 0.334 197 W C -0.722 175.796 176.519 -0.001 0.000 1.064 197 W CA -0.806 56.563 57.345 0.040 0.000 1.236 197 W CB 1.463 30.940 29.460 0.027 0.000 1.405 197 W HN -0.279 nan 8.180 nan 0.000 0.478 198 V N -0.478 119.552 119.914 0.194 0.000 3.160 198 V HA 0.763 4.876 4.120 -0.012 0.000 0.310 198 V C -0.450 175.657 176.094 0.022 0.000 1.181 198 V CA -1.159 61.173 62.300 0.053 0.000 1.047 198 V CB 1.705 33.520 31.823 -0.013 0.000 1.068 198 V HN 0.329 nan 8.190 nan 0.000 0.441 199 S N 0.648 116.283 115.700 -0.109 0.000 2.508 199 S HA 0.711 5.174 4.470 -0.012 0.000 0.284 199 S C -0.544 174.018 174.600 -0.063 0.000 1.192 199 S CA -0.373 57.740 58.200 -0.146 0.000 1.070 199 S CB 1.445 64.366 63.200 -0.465 0.000 1.004 199 S HN 0.840 nan 8.310 nan 0.000 0.493 200 V N 3.306 123.299 119.914 0.132 0.000 2.513 200 V HA 0.931 5.043 4.120 -0.012 0.000 0.299 200 V C 0.538 176.841 176.094 0.349 0.000 1.035 200 V CA 0.609 62.972 62.300 0.105 0.000 0.889 200 V CB 1.260 33.040 31.823 -0.072 0.000 0.988 200 V HN 1.080 nan 8.190 nan 0.000 0.440 201 G N 4.533 113.217 108.800 -0.194 0.000 2.392 201 G HA2 0.371 4.324 3.960 -0.012 0.000 0.260 201 G HA3 0.371 4.324 3.960 -0.012 0.000 0.260 201 G C -1.815 172.269 174.900 -1.359 0.000 1.226 201 G CA -0.513 44.108 45.100 -0.799 0.000 0.913 201 G HN 0.496 nan 8.290 nan 0.000 0.483 202 F N -0.102 119.317 119.950 -0.886 0.000 2.603 202 F HA 0.866 5.376 4.527 -0.029 0.000 0.317 202 F C 0.395 175.829 175.800 -0.610 0.000 1.066 202 F CA -0.793 56.816 58.000 -0.651 0.000 0.941 202 F CB 2.645 41.277 39.000 -0.613 0.000 1.291 202 F HN 0.558 nan 8.300 nan 0.000 0.472 203 S N 1.557 117.139 115.700 -0.196 0.000 2.562 203 S HA 0.799 5.261 4.470 -0.012 0.000 0.274 203 S C -3.315 171.172 174.600 -0.189 0.000 1.160 203 S CA -1.011 57.068 58.200 -0.203 0.000 0.933 203 S CB 2.357 65.457 63.200 -0.166 0.000 1.100 203 S HN 0.303 nan 8.310 nan 0.000 0.468 204 P HA 0.647 nan 4.420 nan 0.000 0.328 204 P C -1.820 175.286 177.300 -0.323 0.000 1.359 204 P CA -0.425 62.445 63.100 -0.383 0.000 1.283 204 P CB 2.584 33.921 31.700 -0.604 0.000 2.072 205 T N 0.155 114.515 114.554 -0.323 0.000 2.916 205 T HA 0.594 4.937 4.350 -0.012 0.000 0.298 205 T C -0.536 174.189 174.700 0.042 0.000 1.031 205 T CA -0.520 61.505 62.100 -0.126 0.000 0.993 205 T CB 0.960 69.753 68.868 -0.124 0.000 1.045 205 T HN 0.408 nan 8.240 nan 0.000 0.454 206 S N 1.559 117.347 115.700 0.147 0.000 2.651 206 S HA 0.811 5.273 4.470 -0.012 0.000 0.291 206 S C 0.709 175.454 174.600 0.241 0.000 1.141 206 S CA -0.832 57.514 58.200 0.245 0.000 1.027 206 S CB 1.284 64.596 63.200 0.188 0.000 1.043 206 S HN 0.936 nan 8.310 nan 0.000 0.530 207 G N 0.122 108.967 108.800 0.076 0.000 2.614 207 G HA2 0.386 4.338 3.960 -0.012 0.000 0.239 207 G HA3 0.386 4.338 3.960 -0.012 0.000 0.239 207 G C 0.099 175.032 174.900 0.055 0.000 1.240 207 G CA -0.754 44.327 45.100 -0.032 0.000 0.842 207 G HN 0.655 nan 8.290 nan 0.000 0.584 208 L N 0.660 121.920 121.223 0.062 0.000 2.713 208 L HA 0.278 4.611 4.340 -0.012 0.000 0.245 208 L C 1.101 177.988 176.870 0.028 0.000 1.169 208 L CA 0.667 55.542 54.840 0.058 0.000 0.962 208 L CB -1.015 41.086 42.059 0.070 0.000 1.161 208 L HN 0.374 nan 8.230 nan 0.000 0.427 209 T N -2.301 112.260 114.554 0.012 0.000 2.886 209 T HA 0.141 4.484 4.350 -0.012 0.000 0.330 209 T C 0.729 175.429 174.700 -0.001 0.000 1.488 209 T CA -0.682 61.422 62.100 0.006 0.000 1.054 209 T CB 1.782 70.652 68.868 0.002 0.000 1.348 209 T HN 0.086 nan 8.240 nan 0.000 0.489 210 E N 0.570 120.770 120.200 -0.000 0.000 2.160 210 E HA -0.162 4.180 4.350 -0.012 0.000 0.195 210 E C 0.875 177.469 176.600 -0.010 0.000 0.991 210 E CA 1.224 57.621 56.400 -0.004 0.000 0.810 210 E CB 0.164 29.863 29.700 -0.003 0.000 0.742 210 E HN 0.483 nan 8.360 nan 0.000 0.466 211 D N -0.120 120.272 120.400 -0.013 0.000 2.162 211 D HA -0.082 4.550 4.640 -0.012 0.000 0.203 211 D C 2.057 178.341 176.300 -0.028 0.000 0.967 211 D CA 1.578 55.566 54.000 -0.020 0.000 0.840 211 D CB -0.114 40.675 40.800 -0.019 0.000 0.972 211 D HN 0.255 nan 8.370 nan 0.000 0.482 212 T N -1.952 112.583 114.554 -0.031 0.000 3.100 212 T HA 0.020 4.363 4.350 -0.012 0.000 0.253 212 T C 1.136 175.804 174.700 -0.054 0.000 1.118 212 T CA 0.090 62.159 62.100 -0.051 0.000 1.058 212 T CB 0.176 68.999 68.868 -0.076 0.000 0.953 212 T HN -0.148 nan 8.240 nan 0.000 0.515 213 T N 2.129 116.666 114.554 -0.028 0.000 2.849 213 T HA 0.488 4.830 4.350 -0.012 0.000 0.284 213 T C -0.471 174.212 174.700 -0.028 0.000 1.004 213 T CA -0.642 61.451 62.100 -0.011 0.000 1.021 213 T CB 0.836 69.709 68.868 0.009 0.000 1.013 213 T HN 0.739 nan 8.240 nan 0.000 0.527 214 E N -0.302 119.871 120.200 -0.045 0.000 2.449 214 E HA 0.531 4.874 4.350 -0.012 0.000 0.278 214 E C -1.280 175.180 176.600 -0.235 0.000 1.059 214 E CA -1.144 55.171 56.400 -0.142 0.000 0.854 214 E CB 0.791 30.369 29.700 -0.203 0.000 1.465 214 E HN 0.593 nan 8.360 nan 0.000 0.462 215 T N -1.749 112.633 114.554 -0.287 0.000 2.944 215 T HA 0.577 4.919 4.350 -0.012 0.000 0.284 215 T C -0.638 173.794 174.700 -0.446 0.000 1.010 215 T CA -0.680 61.285 62.100 -0.225 0.000 1.025 215 T CB 0.856 69.671 68.868 -0.089 0.000 1.079 215 T HN 0.597 nan 8.240 nan 0.000 0.516 216 H N 0.102 119.150 119.070 -0.037 0.000 2.538 216 H HA 0.358 4.906 4.556 -0.013 0.000 0.239 216 H C -1.261 174.001 175.328 -0.110 0.000 1.401 216 H CA -0.770 55.231 56.048 -0.078 0.000 1.499 216 H CB 0.284 29.970 29.762 -0.127 0.000 1.624 216 H HN 0.557 nan 8.280 nan 0.000 0.524 217 D N 1.720 122.135 120.400 0.027 0.000 2.198 217 D HA 0.251 4.883 4.640 -0.012 0.000 0.245 217 D C 0.036 176.330 176.300 -0.011 0.000 1.079 217 D CA -0.510 53.477 54.000 -0.023 0.000 0.854 217 D CB 2.673 43.477 40.800 0.007 0.000 1.148 217 D HN 0.129 nan 8.370 nan 0.000 0.456 218 V N 3.091 122.914 119.914 -0.151 0.000 2.394 218 V HA 0.177 4.290 4.120 -0.012 0.000 0.282 218 V C 1.290 177.455 176.094 0.120 0.000 1.031 218 V CA -0.467 61.761 62.300 -0.120 0.000 0.881 218 V CB 1.476 32.938 31.823 -0.601 0.000 0.982 218 V HN 0.454 nan 8.190 nan 0.000 0.451 219 L N 3.275 124.658 121.223 0.267 0.000 2.463 219 L HA 0.309 4.641 4.340 -0.012 0.000 0.219 219 L C 0.882 178.009 176.870 0.429 0.000 1.088 219 L CA 0.467 55.499 54.840 0.321 0.000 0.849 219 L CB 0.274 42.438 42.059 0.177 0.000 1.012 219 L HN 0.779 nan 8.230 nan 0.000 0.468 220 S N -1.745 114.271 115.700 0.527 0.000 2.611 220 S HA 0.589 5.051 4.470 -0.012 0.000 0.268 220 S C -2.378 172.699 174.600 0.794 0.000 1.156 220 S CA -0.635 57.855 58.200 0.484 0.000 0.817 220 S CB 2.439 65.809 63.200 0.283 0.000 1.122 220 S HN 0.161 nan 8.310 nan 0.000 0.466 221 W N 1.334 122.956 121.300 0.537 0.000 4.071 221 W HA 0.629 5.257 4.660 -0.053 0.000 0.274 221 W C -1.975 174.868 176.519 0.539 0.000 1.278 221 W CA -0.283 57.475 57.345 0.688 0.000 1.258 221 W CB 1.024 31.085 29.460 1.002 0.000 1.236 221 W HN 0.960 nan 8.180 nan 0.000 0.530 222 S N 4.778 120.704 115.700 0.377 0.000 2.570 222 S HA 0.868 5.331 4.470 -0.012 0.000 0.286 222 S C -1.667 172.777 174.600 -0.259 0.000 1.099 222 S CA -0.645 57.496 58.200 -0.099 0.000 0.913 222 S CB 2.618 65.821 63.200 0.005 0.000 1.085 222 S HN 0.425 nan 8.310 nan 0.000 0.480 223 F N 0.882 120.275 119.950 -0.929 0.000 2.619 223 F HA 0.661 5.192 4.527 0.007 0.000 0.308 223 F C -1.344 174.082 175.800 -0.623 0.000 1.097 223 F CA -0.139 57.382 58.000 -0.799 0.000 0.953 223 F CB 1.830 40.007 39.000 -1.371 0.000 1.287 223 F HN 0.552 nan 8.300 nan 0.000 0.446 224 S N 2.723 117.978 115.700 -0.740 0.000 2.706 224 S HA 0.450 4.912 4.470 -0.012 0.000 0.270 224 S C -1.179 173.178 174.600 -0.405 0.000 1.163 224 S CA -0.857 57.116 58.200 -0.378 0.000 1.042 224 S CB 1.295 64.357 63.200 -0.232 0.000 1.079 224 S HN 0.770 nan 8.310 nan 0.000 0.474 225 S N 2.025 117.663 115.700 -0.104 0.000 2.578 225 S HA 0.832 5.294 4.470 -0.012 0.000 0.283 225 S C -0.602 173.980 174.600 -0.030 0.000 1.195 225 S CA -0.782 57.404 58.200 -0.024 0.000 1.050 225 S CB 1.493 64.802 63.200 0.182 0.000 1.012 225 S HN 0.575 nan 8.310 nan 0.000 0.511 226 K N 1.079 121.414 120.400 -0.109 0.000 2.513 226 K HA 0.553 4.865 4.320 -0.012 0.000 0.251 226 K C -2.257 174.225 176.600 -0.197 0.000 0.939 226 K CA -0.577 55.666 56.287 -0.073 0.000 0.793 226 K CB 0.875 33.343 32.500 -0.054 0.000 1.241 226 K HN 0.578 nan 8.250 nan 0.000 0.431 227 F N 3.597 123.562 119.950 0.025 0.000 2.334 227 F HA 0.496 5.013 4.527 -0.015 0.000 0.367 227 F C 0.946 176.753 175.800 0.011 0.000 1.115 227 F CA -0.438 57.574 58.000 0.020 0.000 1.116 227 F CB 1.298 40.307 39.000 0.015 0.000 1.230 227 F HN 0.453 nan 8.300 nan 0.000 0.484 228 R N 0.000 120.569 120.500 0.115 0.000 2.786 228 R HA 0.000 4.333 4.340 -0.012 0.000 0.208 228 R CA 0.000 56.143 56.100 0.071 0.000 0.921 228 R CB 0.000 30.308 30.300 0.013 0.000 0.687 228 R HN 0.000 nan 8.270 nan 0.000 0.535