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 3lig_1_A DATA FIRST_RESID 20 DATA SEQUENCE SYHLDTTAPP PTNLSTLPNN TLFHLWRPRA HILPAEGQIG DPCAHYTDPS DATA SEQUENCE TGLFHVGFLH DGDGIAGATT ANLATYTDTS DNGSFLIQPG GKNDPVAVFD DATA SEQUENCE GAVIPVGVNN TPTLLYTSVS FLPIHWSIPY TRGSETQSLA VARDGGRRFD DATA SEQUENCE KLDQGPVIAD HPFAVDVTAF RAPFVFRSAR LDVLLSLDEE VARNETAVQQ DATA SEQUENCE AVDGWTEKNA PWYVAVSGGV HGVGPAQFLY RQNGGNASEF QYWEYLGEWW DATA SEQUENCE QEATNSSWGD EGTWAGRWGF NFETGNVLFL TEEGHDPQTG EVFVTLGTEG DATA SEQUENCE SGLPIVPQVS SIHDMLWAAG EVGVGSEQEG AKVEFSPSMA GFLDWGFSAY DATA SEQUENCE AAAGKVLPAS SAVSKTSGVE VDRYVSFVWL TGDQYEQADG FPTAQQGWTG DATA SEQUENCE SLLLPRELKV QTVENVVDNE LVREEGVSWV VGESDNQTAT LRTLGITIAR DATA SEQUENCE ETKAALLANG SVTAEEDRTL QTAAVVPFAQ SPSSKFFVLT AQLEFPASAR DATA SEQUENCE SSPLQSGFEI LASELERTAI YYQFSNESLV VDRSQTSAAA PTNPGLDSFT DATA SEQUENCE ESGKLRLFDV IENGQEQVET LDLTVVVDNA VVEVYANGRF ALSTWARSWY DATA SEQUENCE DNSTQIRFFH NGEGEVQFRN VSVSEGLYNA WPER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.711 174.600 0.185 0.000 1.055 20 S CA 0.000 58.269 58.200 0.114 0.000 1.107 20 S CB 0.000 63.242 63.200 0.070 0.000 0.593 21 Y N 6.575 126.927 120.300 0.086 0.000 2.336 21 Y HA 0.538 5.088 4.550 -0.000 0.000 0.335 21 Y C 0.221 176.211 175.900 0.149 0.000 1.046 21 Y CA -0.089 58.074 58.100 0.106 0.000 1.198 21 Y CB 0.544 39.033 38.460 0.048 0.000 1.182 21 Y HN 0.737 nan 8.280 nan 0.000 0.502 22 H N 6.440 125.072 119.070 -0.730 0.000 2.589 22 H HA 0.282 4.838 4.556 -0.000 0.000 0.351 22 H C -1.272 173.495 175.328 -0.935 0.000 1.074 22 H CA -1.422 54.279 56.048 -0.577 0.000 1.203 22 H CB 1.336 30.938 29.762 -0.266 0.000 1.558 22 H HN 0.758 nan 8.280 nan 0.000 0.522 23 L N 3.115 123.893 121.223 -0.743 0.000 2.640 23 L HA 0.056 4.396 4.340 -0.000 0.000 0.280 23 L C -0.143 176.449 176.870 -0.464 0.000 1.229 23 L CA 1.126 55.666 54.840 -0.501 0.000 0.919 23 L CB -0.158 41.802 42.059 -0.166 0.000 1.168 23 L HN 0.787 nan 8.230 nan 0.000 0.496 24 D N 2.831 123.070 120.400 -0.268 0.000 2.386 24 D HA 0.147 4.787 4.640 -0.000 0.000 0.247 24 D C 0.233 176.536 176.300 0.004 0.000 1.336 24 D CA -0.035 53.866 54.000 -0.164 0.000 0.976 24 D CB 1.232 41.921 40.800 -0.184 0.000 1.257 24 D HN 0.646 nan 8.370 nan 0.000 0.570 25 T N -0.163 114.277 114.554 -0.190 0.000 3.324 25 T HA 0.045 4.395 4.350 -0.000 0.000 0.250 25 T C 1.312 176.002 174.700 -0.017 0.000 1.059 25 T CA 0.439 62.295 62.100 -0.407 0.000 0.951 25 T CB -0.321 68.102 68.868 -0.742 0.000 1.030 25 T HN 0.348 nan 8.240 nan 0.000 0.576 26 T N -2.460 112.196 114.554 0.169 0.000 2.985 26 T HA 0.632 4.982 4.350 -0.000 0.000 0.254 26 T C 0.753 175.704 174.700 0.418 0.000 1.021 26 T CA 0.030 62.300 62.100 0.283 0.000 0.957 26 T CB 0.191 69.143 68.868 0.140 0.000 1.047 26 T HN 0.492 nan 8.240 nan 0.000 0.511 27 A N 2.015 125.083 122.820 0.413 0.000 2.299 27 A HA 0.825 5.145 4.320 -0.000 0.000 0.332 27 A C -2.898 174.981 177.584 0.492 0.000 1.131 27 A CA -2.265 50.013 52.037 0.402 0.000 0.844 27 A CB 0.587 19.745 19.000 0.263 0.000 1.251 27 A HN 0.173 nan 8.150 nan 0.000 0.486 28 P HA 0.182 nan 4.420 nan 0.000 0.268 28 P C -2.430 174.720 177.300 -0.251 0.000 1.205 28 P CA -0.576 62.556 63.100 0.053 0.000 0.771 28 P CB 0.023 31.753 31.700 0.049 0.000 0.858 29 P HA 0.137 nan 4.420 nan 0.000 0.271 29 P C -2.359 174.524 177.300 -0.694 0.000 1.216 29 P CA -1.319 60.992 63.100 -1.314 0.000 0.776 29 P CB -0.511 29.962 31.700 -2.046 0.000 0.881 30 P HA -0.017 nan 4.420 nan 0.000 0.270 30 P C 1.260 178.330 177.300 -0.384 0.000 1.223 30 P CA 0.075 62.880 63.100 -0.491 0.000 0.785 30 P CB 0.238 31.573 31.700 -0.609 0.000 0.923 31 T N -1.914 112.474 114.554 -0.277 0.000 2.788 31 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 31 T C 0.905 175.484 174.700 -0.202 0.000 1.044 31 T CA 0.983 62.952 62.100 -0.219 0.000 1.139 31 T CB -0.525 68.249 68.868 -0.157 0.000 0.867 31 T HN 0.383 nan 8.240 nan 0.000 0.454 32 N N 0.756 119.342 118.700 -0.191 0.000 2.564 32 N HA 0.341 5.081 4.740 -0.000 0.000 0.248 32 N C 0.617 176.030 175.510 -0.162 0.000 0.986 32 N CA -0.510 52.446 53.050 -0.157 0.000 0.921 32 N CB 0.876 39.293 38.487 -0.116 0.000 1.136 32 N HN 0.262 nan 8.380 nan 0.000 0.509 33 L N 1.095 122.218 121.223 -0.168 0.000 2.201 33 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 33 L C 1.547 178.356 176.870 -0.102 0.000 1.105 33 L CA 0.776 55.535 54.840 -0.135 0.000 0.775 33 L CB -0.084 41.897 42.059 -0.130 0.000 0.913 33 L HN 0.398 nan 8.230 nan 0.000 0.440 34 S N -1.070 114.565 115.700 -0.107 0.000 2.607 34 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 34 S C 1.801 176.374 174.600 -0.046 0.000 0.969 34 S CA 1.165 59.319 58.200 -0.076 0.000 0.927 34 S CB -0.252 62.903 63.200 -0.075 0.000 0.772 34 S HN 0.613 nan 8.310 nan 0.000 0.533 35 T N -1.087 113.437 114.554 -0.050 0.000 3.040 35 T HA 0.316 4.666 4.350 -0.000 0.000 0.250 35 T C 0.403 175.101 174.700 -0.004 0.000 1.058 35 T CA -0.272 61.810 62.100 -0.030 0.000 0.988 35 T CB -0.180 68.662 68.868 -0.044 0.000 0.993 35 T HN -0.034 nan 8.240 nan 0.000 0.519 36 L N 2.329 123.555 121.223 0.004 0.000 2.464 36 L HA 0.459 4.799 4.340 -0.000 0.000 0.264 36 L C -2.141 174.763 176.870 0.057 0.000 1.199 36 L CA -2.055 52.819 54.840 0.056 0.000 0.818 36 L CB 0.006 42.115 42.059 0.083 0.000 1.102 36 L HN 0.003 nan 8.230 nan 0.000 0.473 37 P HA 0.068 nan 4.420 nan 0.000 0.270 37 P C -0.884 176.453 177.300 0.061 0.000 1.223 37 P CA -0.385 62.752 63.100 0.062 0.000 0.785 37 P CB 0.327 32.067 31.700 0.066 0.000 0.923 38 N N 2.188 120.921 118.700 0.056 0.000 2.412 38 N HA -0.064 4.676 4.740 -0.000 0.000 0.254 38 N C 0.513 176.073 175.510 0.083 0.000 1.232 38 N CA 0.742 53.832 53.050 0.067 0.000 0.880 38 N CB -0.810 37.714 38.487 0.061 0.000 1.076 38 N HN 0.461 nan 8.380 nan 0.000 0.458 39 N N -1.178 117.593 118.700 0.119 0.000 2.863 39 N HA -0.231 4.509 4.740 -0.000 0.000 0.245 39 N C 0.402 176.007 175.510 0.158 0.000 1.001 39 N CA 1.173 54.332 53.050 0.181 0.000 0.901 39 N CB -1.169 37.396 38.487 0.130 0.000 1.124 39 N HN 0.520 nan 8.380 nan 0.000 0.582 40 T N 0.393 115.009 114.554 0.104 0.000 2.759 40 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 40 T C 1.323 176.061 174.700 0.063 0.000 1.042 40 T CA 1.098 63.249 62.100 0.085 0.000 1.140 40 T CB -0.034 68.888 68.868 0.090 0.000 0.864 40 T HN 0.340 nan 8.240 nan 0.000 0.455 41 L N 0.028 121.272 121.223 0.035 0.000 2.741 41 L HA 0.331 4.671 4.340 -0.000 0.000 0.237 41 L C 1.525 178.401 176.870 0.009 0.000 1.178 41 L CA -0.270 54.520 54.840 -0.084 0.000 0.973 41 L CB -0.473 41.460 42.059 -0.209 0.000 1.255 41 L HN 0.114 nan 8.230 nan 0.000 0.498 42 F N 1.105 121.062 119.950 0.011 0.000 2.120 42 F HA -0.286 4.241 4.527 -0.000 0.000 0.300 42 F C 2.143 177.955 175.800 0.021 0.000 1.095 42 F CA 2.089 60.127 58.000 0.063 0.000 1.249 42 F CB 0.052 38.968 39.000 -0.140 0.000 0.995 42 F HN 0.267 nan 8.300 nan 0.000 0.480 43 H N -1.980 117.252 119.070 0.270 0.000 2.648 43 H HA 0.077 4.633 4.556 -0.000 0.000 0.265 43 H C 1.720 177.076 175.328 0.046 0.000 0.961 43 H CA 0.447 56.596 56.048 0.170 0.000 1.185 43 H CB 0.029 29.887 29.762 0.159 0.000 1.449 43 H HN 0.194 nan 8.280 nan 0.000 0.523 44 L N 0.012 121.199 121.223 -0.060 0.000 2.021 44 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 44 L C 0.719 177.412 176.870 -0.295 0.000 1.074 44 L CA 1.795 56.382 54.840 -0.422 0.000 0.760 44 L CB -0.250 41.185 42.059 -1.039 0.000 0.889 44 L HN 0.428 nan 8.230 nan 0.000 0.433 45 W N -0.577 120.841 121.300 0.197 0.000 2.702 45 W HA 0.362 5.022 4.660 -0.000 0.000 0.369 45 W C 0.704 177.469 176.519 0.410 0.000 0.987 45 W CA -0.764 56.728 57.345 0.244 0.000 1.702 45 W CB -0.555 29.025 29.460 0.200 0.000 1.138 45 W HN 0.037 nan 8.180 nan 0.000 0.552 46 R N 3.334 124.156 120.500 0.535 0.000 2.401 46 R HA 0.110 4.450 4.340 -0.000 0.000 0.299 46 R C -2.002 174.409 176.300 0.186 0.000 1.064 46 R CA -0.935 55.287 56.100 0.205 0.000 1.000 46 R CB 0.752 30.935 30.300 -0.194 0.000 0.973 46 R HN -0.263 nan 8.270 nan 0.000 0.438 47 P HA 0.091 nan 4.420 nan 0.000 0.276 47 P C -0.883 176.526 177.300 0.181 0.000 1.261 47 P CA -0.159 63.053 63.100 0.185 0.000 0.800 47 P CB 0.872 32.583 31.700 0.018 0.000 1.066 48 R N -0.004 120.633 120.500 0.228 0.000 2.394 48 R HA 0.445 4.785 4.340 -0.000 0.000 0.220 48 R C 1.107 177.402 176.300 -0.009 0.000 0.887 48 R CA 0.163 56.302 56.100 0.066 0.000 1.034 48 R CB -0.169 30.054 30.300 -0.129 0.000 1.179 48 R HN 0.314 nan 8.270 nan 0.000 0.561 49 A N 0.608 123.428 122.820 0.001 0.000 2.564 49 A HA 0.364 4.684 4.320 -0.000 0.000 0.279 49 A C -0.924 176.606 177.584 -0.091 0.000 1.232 49 A CA -0.472 51.401 52.037 -0.274 0.000 0.950 49 A CB -0.181 18.543 19.000 -0.460 0.000 1.138 49 A HN 0.287 nan 8.150 nan 0.000 0.526 50 H N -1.298 117.795 119.070 0.038 0.000 2.710 50 H HA 0.606 5.162 4.556 0.000 0.000 0.361 50 H C -0.445 174.998 175.328 0.192 0.000 1.175 50 H CA -0.650 55.446 56.048 0.080 0.000 1.206 50 H CB 1.264 31.052 29.762 0.043 0.000 1.750 50 H HN 0.184 nan 8.280 nan 0.000 0.553 51 I N 3.588 124.294 120.570 0.228 0.000 2.337 51 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 51 I C -1.086 175.079 176.117 0.081 0.000 1.046 51 I CA -0.374 61.055 61.300 0.215 0.000 1.324 51 I CB 0.005 37.991 38.000 -0.023 0.000 1.409 51 I HN 0.192 nan 8.210 nan 0.000 0.494 52 L N 6.501 127.717 121.223 -0.010 0.000 2.710 52 L HA 0.712 5.052 4.340 -0.000 0.000 0.260 52 L C -3.018 173.522 176.870 -0.550 0.000 0.993 52 L CA -2.426 52.202 54.840 -0.355 0.000 0.877 52 L CB 0.425 42.328 42.059 -0.259 0.000 1.461 52 L HN 0.151 nan 8.230 nan 0.000 0.413 53 P HA 0.192 nan 4.420 nan 0.000 0.272 53 P C 0.516 177.561 177.300 -0.426 0.000 1.240 53 P CA 0.170 62.975 63.100 -0.490 0.000 0.791 53 P CB 0.824 32.126 31.700 -0.662 0.000 0.978 54 A N 1.038 123.651 122.820 -0.345 0.000 1.986 54 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 54 A C 1.023 178.617 177.584 0.016 0.000 1.171 54 A CA 1.602 53.513 52.037 -0.209 0.000 0.640 54 A CB -0.608 18.314 19.000 -0.129 0.000 0.811 54 A HN 0.767 nan 8.150 nan 0.000 0.451 55 E N -3.970 116.284 120.200 0.090 0.000 2.435 55 E HA 0.461 4.811 4.350 -0.000 0.000 0.277 55 E C 0.104 176.903 176.600 0.332 0.000 1.106 55 E CA -0.332 56.248 56.400 0.302 0.000 0.868 55 E CB 0.000 29.902 29.700 0.337 0.000 1.454 55 E HN 1.576 nan 8.360 nan 0.000 0.452 56 G N 0.654 109.686 108.800 0.387 0.000 2.725 56 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.220 56 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.220 56 G C -0.652 174.475 174.900 0.378 0.000 1.357 56 G CA 0.271 45.598 45.100 0.379 0.000 0.866 56 G HN 0.991 nan 8.290 nan 0.000 0.548 57 Q N -0.969 119.036 119.800 0.341 0.000 2.226 57 Q HA 0.805 5.145 4.340 -0.000 0.000 0.256 57 Q C -0.116 176.109 176.000 0.375 0.000 0.962 57 Q CA -0.877 55.108 55.803 0.303 0.000 0.887 57 Q CB 1.893 30.757 28.738 0.209 0.000 1.282 57 Q HN 1.429 nan 8.270 nan 0.000 0.449 58 I N 1.777 122.520 120.570 0.288 0.000 2.474 58 I HA 0.785 4.955 4.170 -0.000 0.000 0.294 58 I C -0.304 175.968 176.117 0.257 0.000 1.005 58 I CA -0.723 60.696 61.300 0.197 0.000 1.113 58 I CB 1.594 39.553 38.000 -0.068 0.000 1.289 58 I HN 0.878 nan 8.210 nan 0.000 0.436 59 G N 4.544 113.341 108.800 -0.005 0.000 2.890 59 G HA2 0.259 4.219 3.960 -0.000 0.000 0.189 59 G HA3 0.259 4.219 3.960 -0.000 0.000 0.189 59 G C -0.981 173.341 174.900 -0.963 0.000 1.342 59 G CA -0.541 44.246 45.100 -0.522 0.000 1.026 59 G HN 0.561 nan 8.290 nan 0.000 0.579 60 D N 1.996 121.837 120.400 -0.932 0.000 2.525 60 D HA 0.199 4.839 4.640 -0.000 0.000 0.235 60 D C -1.814 174.380 176.300 -0.176 0.000 1.137 60 D CA -0.244 53.423 54.000 -0.555 0.000 0.868 60 D CB 0.918 41.537 40.800 -0.301 0.000 1.180 60 D HN 0.036 nan 8.370 nan 0.000 0.465 61 P HA 0.249 nan 4.420 nan 0.000 0.279 61 P C -0.315 176.969 177.300 -0.027 0.000 1.252 61 P CA -0.503 62.679 63.100 0.138 0.000 0.811 61 P CB 1.034 32.928 31.700 0.325 0.000 1.035 62 C N -2.712 116.427 119.300 -0.268 0.000 3.167 62 C HA 0.721 5.181 4.460 -0.000 0.000 0.348 62 C C 0.459 175.093 174.990 -0.593 0.000 1.394 62 C CA -0.088 58.687 59.018 -0.406 0.000 1.204 62 C CB 0.255 27.901 27.740 -0.156 0.000 1.467 62 C HN 0.806 nan 8.230 nan 0.000 0.446 63 A N 0.138 122.719 122.820 -0.398 0.000 2.826 63 A HA -0.097 4.223 4.320 -0.000 0.000 0.274 63 A C 0.153 177.635 177.584 -0.170 0.000 1.443 63 A CA 1.514 53.367 52.037 -0.307 0.000 0.833 63 A CB -2.735 16.052 19.000 -0.355 0.000 1.023 63 A HN 1.585 nan 8.150 nan 0.000 0.600 64 H N -0.939 118.110 119.070 -0.034 0.000 2.690 64 H HA 0.582 5.138 4.556 0.000 0.000 0.365 64 H C 0.158 175.482 175.328 -0.006 0.000 1.142 64 H CA 1.154 57.109 56.048 -0.154 0.000 1.417 64 H CB 0.312 30.014 29.762 -0.100 0.000 1.446 64 H HN 1.031 nan 8.280 nan 0.000 0.599 65 Y N -2.687 117.435 120.300 -0.295 0.000 2.598 65 Y HA 0.256 4.805 4.550 -0.000 0.000 0.333 65 Y C -1.433 174.411 175.900 -0.094 0.000 1.196 65 Y CA -1.038 56.995 58.100 -0.113 0.000 1.145 65 Y CB 0.320 38.725 38.460 -0.092 0.000 1.349 65 Y HN 0.409 nan 8.280 nan 0.000 0.469 66 T N 3.325 118.021 114.554 0.237 0.000 2.743 66 T HA 0.150 4.500 4.350 -0.000 0.000 0.293 66 T C -0.798 174.046 174.700 0.241 0.000 0.945 66 T CA -0.194 62.062 62.100 0.261 0.000 1.030 66 T CB 0.521 69.595 68.868 0.343 0.000 0.912 66 T HN 0.640 nan 8.240 nan 0.000 0.483 67 D N 4.459 124.946 120.400 0.145 0.000 2.339 67 D HA 0.148 4.788 4.640 -0.000 0.000 0.256 67 D C -1.469 174.929 176.300 0.163 0.000 1.214 67 D CA -2.262 51.850 54.000 0.186 0.000 0.877 67 D CB 1.445 42.333 40.800 0.147 0.000 1.111 67 D HN 0.118 nan 8.370 nan 0.000 0.478 68 P HA -0.189 nan 4.420 nan 0.000 0.215 68 P C 1.473 178.827 177.300 0.091 0.000 1.163 68 P CA 1.197 64.367 63.100 0.117 0.000 0.894 68 P CB 0.181 31.942 31.700 0.102 0.000 0.791 69 S N -1.395 114.351 115.700 0.078 0.000 2.356 69 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 69 S C 1.942 176.580 174.600 0.063 0.000 1.032 69 S CA 2.387 60.623 58.200 0.060 0.000 1.005 69 S CB -1.257 61.971 63.200 0.048 0.000 0.867 69 S HN 0.355 nan 8.310 nan 0.000 0.449 70 T N -3.394 111.209 114.554 0.081 0.000 3.040 70 T HA 0.407 4.757 4.350 -0.000 0.000 0.252 70 T C 1.679 176.424 174.700 0.075 0.000 1.064 70 T CA 1.098 63.243 62.100 0.074 0.000 1.110 70 T CB -0.211 68.710 68.868 0.090 0.000 0.921 70 T HN 1.003 nan 8.240 nan 0.000 0.480 71 G N 1.483 110.342 108.800 0.098 0.000 2.179 71 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 71 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 71 G C -0.001 174.967 174.900 0.113 0.000 0.977 71 G CA 0.257 45.418 45.100 0.100 0.000 0.641 71 G HN 0.646 nan 8.290 nan 0.000 0.533 72 L N -0.032 121.259 121.223 0.114 0.000 2.426 72 L HA 0.553 4.893 4.340 -0.000 0.000 0.271 72 L C 0.636 177.608 176.870 0.170 0.000 1.169 72 L CA -0.814 54.079 54.840 0.089 0.000 0.836 72 L CB 0.583 42.645 42.059 0.006 0.000 1.112 72 L HN 0.123 nan 8.230 nan 0.000 0.465 73 F N 2.937 122.869 119.950 -0.030 0.000 2.410 73 F HA 0.306 4.833 4.527 0.000 0.000 0.349 73 F C 0.302 176.053 175.800 -0.082 0.000 1.117 73 F CA -0.304 57.691 58.000 -0.009 0.000 1.104 73 F CB 0.308 39.317 39.000 0.015 0.000 1.122 73 F HN 0.334 nan 8.300 nan 0.000 0.483 74 H N 5.161 123.693 119.070 -0.897 0.000 2.458 74 H HA 0.527 5.083 4.556 -0.000 0.000 0.330 74 H C -0.770 174.130 175.328 -0.714 0.000 1.111 74 H CA -0.914 54.703 56.048 -0.719 0.000 1.245 74 H CB 1.967 31.151 29.762 -0.964 0.000 1.456 74 H HN 0.325 nan 8.280 nan 0.000 0.488 75 V N 2.097 121.864 119.914 -0.246 0.000 2.581 75 V HA 0.553 4.673 4.120 -0.000 0.000 0.303 75 V C 0.534 176.599 176.094 -0.049 0.000 1.041 75 V CA -0.659 61.560 62.300 -0.135 0.000 0.907 75 V CB 1.931 33.631 31.823 -0.206 0.000 0.994 75 V HN 0.959 nan 8.190 nan 0.000 0.442 76 G N 2.418 111.232 108.800 0.023 0.000 2.605 76 G HA2 0.906 4.866 3.960 -0.000 0.000 0.296 76 G HA3 0.906 4.866 3.960 -0.000 0.000 0.296 76 G C -1.515 173.332 174.900 -0.087 0.000 1.304 76 G CA -0.599 44.361 45.100 -0.233 0.000 0.941 76 G HN 0.931 nan 8.290 nan 0.000 0.475 77 F N -1.436 118.454 119.950 -0.100 0.000 2.725 77 F HA 0.538 5.065 4.527 -0.000 0.000 0.311 77 F C -1.145 174.618 175.800 -0.062 0.000 1.121 77 F CA -1.671 56.275 58.000 -0.090 0.000 0.978 77 F CB 0.627 39.593 39.000 -0.057 0.000 1.274 77 F HN 0.473 nan 8.300 nan 0.000 0.440 78 L N 2.870 124.206 121.223 0.188 0.000 2.456 78 L HA 0.343 4.683 4.340 -0.000 0.000 0.272 78 L C -0.612 176.476 176.870 0.364 0.000 1.189 78 L CA 0.010 54.953 54.840 0.172 0.000 0.846 78 L CB 0.378 42.459 42.059 0.037 0.000 1.111 78 L HN 0.806 nan 8.230 nan 0.000 0.475 79 H N 2.819 122.032 119.070 0.238 0.000 2.840 79 H HA 0.189 4.745 4.556 0.000 0.000 0.340 79 H C -0.518 174.993 175.328 0.305 0.000 1.004 79 H CA -1.038 55.149 56.048 0.232 0.000 1.288 79 H CB 0.969 30.750 29.762 0.031 0.000 1.607 79 H HN 0.622 nan 8.280 nan 0.000 0.522 80 D N 3.880 124.377 120.400 0.162 0.000 2.911 80 D HA -0.169 4.471 4.640 -0.000 0.000 0.227 80 D C 1.072 177.443 176.300 0.119 0.000 1.164 80 D CA 1.742 55.783 54.000 0.067 0.000 0.782 80 D CB -1.353 39.392 40.800 -0.091 0.000 1.094 80 D HN 1.138 nan 8.370 nan 0.000 0.425 81 G N 0.743 109.637 108.800 0.157 0.000 2.258 81 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.274 81 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.274 81 G C 0.299 175.277 174.900 0.130 0.000 1.021 81 G CA 0.791 45.977 45.100 0.144 0.000 0.798 81 G HN 0.526 nan 8.290 nan 0.000 0.507 82 D N -0.736 119.750 120.400 0.143 0.000 2.740 82 D HA 0.508 5.148 4.640 -0.000 0.000 0.301 82 D C 0.947 177.227 176.300 -0.033 0.000 1.408 82 D CA 1.317 55.320 54.000 0.004 0.000 0.808 82 D CB -0.178 40.544 40.800 -0.130 0.000 1.128 82 D HN 1.368 nan 8.370 nan 0.000 0.465 83 G N -0.082 108.811 108.800 0.155 0.000 2.373 83 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.634 83 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.634 83 G C -1.001 174.064 174.900 0.275 0.000 1.267 83 G CA -0.778 44.416 45.100 0.156 0.000 1.008 83 G HN 0.138 nan 8.290 nan 0.000 0.497 84 I N 1.399 122.055 120.570 0.144 0.000 2.336 84 I HA 0.613 4.783 4.170 -0.000 0.000 0.292 84 I C 0.870 176.964 176.117 -0.038 0.000 0.991 84 I CA -0.373 60.928 61.300 0.001 0.000 1.227 84 I CB 1.485 39.386 38.000 -0.165 0.000 1.366 84 I HN 0.966 nan 8.210 nan 0.000 0.466 85 A N 4.470 127.088 122.820 -0.337 0.000 2.288 85 A HA 0.977 5.297 4.320 -0.000 0.000 0.328 85 A C -0.077 177.041 177.584 -0.777 0.000 1.123 85 A CA -0.443 51.255 52.037 -0.565 0.000 0.861 85 A CB 1.510 20.047 19.000 -0.772 0.000 1.272 85 A HN 0.805 nan 8.150 nan 0.000 0.490 86 G N -1.889 106.595 108.800 -0.526 0.000 2.727 86 G HA2 0.845 4.805 3.960 -0.000 0.000 0.289 86 G HA3 0.845 4.805 3.960 -0.000 0.000 0.289 86 G C -0.868 173.947 174.900 -0.142 0.000 1.418 86 G CA 0.039 44.917 45.100 -0.368 0.000 0.818 86 G HN 1.948 nan 8.290 nan 0.000 0.486 87 A N -0.891 121.911 122.820 -0.030 0.000 2.599 87 A HA 0.964 5.284 4.320 -0.000 0.000 0.290 87 A C -0.291 177.274 177.584 -0.031 0.000 1.101 87 A CA 0.184 52.279 52.037 0.096 0.000 0.674 87 A CB 1.429 20.645 19.000 0.360 0.000 1.277 87 A HN 1.998 nan 8.150 nan 0.000 0.419 88 T N -1.994 112.532 114.554 -0.046 0.000 2.901 88 T HA 0.847 5.197 4.350 -0.000 0.000 0.293 88 T C -0.487 174.174 174.700 -0.065 0.000 1.084 88 T CA -0.233 61.748 62.100 -0.197 0.000 1.008 88 T CB 1.883 70.493 68.868 -0.430 0.000 1.170 88 T HN 1.756 nan 8.240 nan 0.000 0.509 89 T N -0.736 113.764 114.554 -0.090 0.000 2.956 89 T HA 0.645 4.995 4.350 -0.000 0.000 0.312 89 T C 0.291 174.921 174.700 -0.117 0.000 1.151 89 T CA -0.009 61.973 62.100 -0.196 0.000 1.024 89 T CB 1.281 69.901 68.868 -0.414 0.000 1.140 89 T HN 1.090 nan 8.240 nan 0.000 0.473 90 A N 3.246 125.976 122.820 -0.149 0.000 2.343 90 A HA 0.300 4.620 4.320 -0.000 0.000 0.223 90 A C 1.183 178.703 177.584 -0.107 0.000 1.214 90 A CA 0.620 52.601 52.037 -0.092 0.000 0.900 90 A CB -0.216 18.735 19.000 -0.080 0.000 0.942 90 A HN 0.858 nan 8.150 nan 0.000 0.507 91 N N -2.547 116.051 118.700 -0.169 0.000 2.075 91 N HA 0.140 4.880 4.740 -0.000 0.000 0.226 91 N C 0.238 175.627 175.510 -0.203 0.000 1.343 91 N CA 0.279 53.225 53.050 -0.172 0.000 0.881 91 N CB 0.179 38.557 38.487 -0.180 0.000 1.100 91 N HN 0.357 nan 8.380 nan 0.000 0.495 92 L N -1.026 120.041 121.223 -0.259 0.000 3.898 92 L HA -0.227 4.113 4.340 -0.000 0.000 0.407 92 L C 0.491 177.223 176.870 -0.230 0.000 1.207 92 L CA 0.872 55.578 54.840 -0.223 0.000 0.931 92 L CB -1.525 40.443 42.059 -0.152 0.000 2.014 92 L HN 0.472 nan 8.230 nan 0.000 0.858 93 A N -2.444 120.165 122.820 -0.352 0.000 1.977 93 A HA 0.607 4.927 4.320 -0.000 0.000 0.197 93 A C 0.742 178.194 177.584 -0.219 0.000 1.554 93 A CA 0.881 52.767 52.037 -0.251 0.000 1.037 93 A CB 0.366 19.171 19.000 -0.325 0.000 1.083 93 A HN 0.840 nan 8.150 nan 0.000 0.471 94 T N -2.392 111.882 114.554 -0.466 0.000 2.893 94 T HA 0.747 5.097 4.350 -0.000 0.000 0.291 94 T C -0.983 173.216 174.700 -0.835 0.000 1.028 94 T CA -0.513 61.331 62.100 -0.427 0.000 0.995 94 T CB 1.429 70.184 68.868 -0.189 0.000 1.051 94 T HN 0.178 nan 8.240 nan 0.000 0.470 95 Y N -0.345 119.661 120.300 -0.491 0.000 2.602 95 Y HA 0.708 5.258 4.550 0.000 0.000 0.342 95 Y C 0.361 176.076 175.900 -0.309 0.000 1.029 95 Y CA -0.995 56.772 58.100 -0.555 0.000 1.080 95 Y CB 2.775 40.572 38.460 -1.105 0.000 1.284 95 Y HN 0.750 nan 8.280 nan 0.000 0.485 96 T N 1.459 116.064 114.554 0.084 0.000 2.921 96 T HA 0.223 4.573 4.350 -0.000 0.000 0.297 96 T C -1.322 173.562 174.700 0.307 0.000 1.013 96 T CA -1.028 61.207 62.100 0.224 0.000 0.990 96 T CB 0.997 69.918 68.868 0.087 0.000 1.023 96 T HN 0.420 nan 8.240 nan 0.000 0.447 97 D N 2.278 122.906 120.400 0.379 0.000 2.443 97 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 97 D C 1.560 177.931 176.300 0.118 0.000 1.136 97 D CA 0.267 54.412 54.000 0.241 0.000 0.879 97 D CB 1.495 42.375 40.800 0.134 0.000 1.195 97 D HN 0.687 nan 8.370 nan 0.000 0.443 98 T N -1.217 113.379 114.554 0.070 0.000 2.867 98 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 98 T C 1.001 175.733 174.700 0.053 0.000 1.057 98 T CA 0.696 62.827 62.100 0.051 0.000 1.136 98 T CB 0.057 68.957 68.868 0.054 0.000 0.874 98 T HN 0.491 nan 8.240 nan 0.000 0.466 99 S N 0.659 116.388 115.700 0.048 0.000 2.636 99 S HA 0.496 4.966 4.470 -0.000 0.000 0.266 99 S C -1.631 172.996 174.600 0.045 0.000 1.147 99 S CA -0.789 57.441 58.200 0.050 0.000 0.815 99 S CB 1.420 64.655 63.200 0.059 0.000 1.119 99 S HN 0.456 nan 8.310 nan 0.000 0.470 100 D N -0.079 120.351 120.400 0.050 0.000 2.469 100 D HA 0.453 5.093 4.640 -0.000 0.000 0.278 100 D C 0.161 176.505 176.300 0.072 0.000 1.231 100 D CA -0.339 53.690 54.000 0.048 0.000 1.075 100 D CB -0.325 40.500 40.800 0.042 0.000 1.121 100 D HN 0.831 nan 8.370 nan 0.000 0.571 101 N N -1.403 117.345 118.700 0.079 0.000 2.705 101 N HA -0.194 4.546 4.740 -0.000 0.000 0.255 101 N C 0.852 176.475 175.510 0.188 0.000 1.008 101 N CA 1.720 54.841 53.050 0.119 0.000 0.742 101 N CB -1.175 37.380 38.487 0.113 0.000 0.906 101 N HN 1.105 nan 8.380 nan 0.000 0.541 102 G N -1.206 107.676 108.800 0.136 0.000 2.284 102 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.230 102 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.230 102 G C 0.507 175.311 174.900 -0.159 0.000 1.021 102 G CA 0.831 45.977 45.100 0.076 0.000 0.619 102 G HN 1.705 nan 8.290 nan 0.000 0.510 103 S N -1.023 114.660 115.700 -0.028 0.000 3.698 103 S HA -0.201 4.269 4.470 -0.000 0.000 0.338 103 S C 0.466 174.998 174.600 -0.113 0.000 1.089 103 S CA 1.049 59.214 58.200 -0.058 0.000 0.991 103 S CB -1.830 61.310 63.200 -0.100 0.000 0.909 103 S HN 1.298 nan 8.310 nan 0.000 0.485 104 F N 0.532 120.505 119.950 0.037 0.000 2.459 104 F HA 0.359 4.886 4.527 0.000 0.000 0.346 104 F C 1.576 177.373 175.800 -0.005 0.000 1.128 104 F CA 0.133 58.136 58.000 0.005 0.000 1.268 104 F CB 0.527 39.535 39.000 0.014 0.000 1.161 104 F HN 0.142 nan 8.300 nan 0.000 0.583 105 L N 2.233 123.567 121.223 0.185 0.000 2.467 105 L HA 0.406 4.746 4.340 -0.000 0.000 0.213 105 L C 0.040 176.978 176.870 0.114 0.000 1.053 105 L CA 0.311 55.241 54.840 0.150 0.000 0.847 105 L CB 0.516 42.640 42.059 0.109 0.000 1.075 105 L HN 0.500 nan 8.230 nan 0.000 0.479 106 I N -0.471 120.123 120.570 0.041 0.000 2.722 106 I HA 0.281 4.451 4.170 -0.000 0.000 0.292 106 I C -1.699 174.362 176.117 -0.094 0.000 1.267 106 I CA -0.289 60.970 61.300 -0.067 0.000 1.036 106 I CB 2.241 40.102 38.000 -0.232 0.000 1.281 106 I HN 0.045 nan 8.210 nan 0.000 0.423 107 Q N 7.273 126.993 119.800 -0.132 0.000 2.484 107 Q HA 0.579 4.919 4.340 -0.000 0.000 0.285 107 Q C -2.629 173.297 176.000 -0.124 0.000 1.097 107 Q CA -1.841 53.856 55.803 -0.176 0.000 0.802 107 Q CB 2.389 30.941 28.738 -0.310 0.000 1.444 107 Q HN 0.389 nan 8.270 nan 0.000 0.429 108 P HA 0.114 nan 4.420 nan 0.000 0.275 108 P C 0.151 177.407 177.300 -0.073 0.000 1.266 108 P CA 0.354 63.416 63.100 -0.065 0.000 0.793 108 P CB 0.627 32.294 31.700 -0.056 0.000 1.074 109 G N -1.910 106.854 108.800 -0.060 0.000 2.227 109 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.168 109 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.168 109 G C 0.412 175.284 174.900 -0.046 0.000 1.006 109 G CA -0.117 44.947 45.100 -0.059 0.000 0.684 109 G HN 0.868 nan 8.290 nan 0.000 0.489 110 G N -0.330 108.451 108.800 -0.032 0.000 2.543 110 G HA2 0.537 4.497 3.960 -0.000 0.000 0.290 110 G HA3 0.537 4.497 3.960 -0.000 0.000 0.290 110 G C 0.878 175.759 174.900 -0.031 0.000 1.310 110 G CA 0.235 45.324 45.100 -0.019 0.000 1.025 110 G HN 0.233 nan 8.290 nan 0.000 0.502 111 K N -0.421 119.964 120.400 -0.025 0.000 2.155 111 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 111 K C 1.936 178.509 176.600 -0.045 0.000 1.052 111 K CA 1.130 57.396 56.287 -0.035 0.000 0.948 111 K CB 0.055 32.541 32.500 -0.023 0.000 0.728 111 K HN 0.293 nan 8.250 nan 0.000 0.448 112 N N 1.381 120.060 118.700 -0.036 0.000 2.415 112 N HA -0.076 4.664 4.740 -0.000 0.000 0.176 112 N C -0.218 175.250 175.510 -0.071 0.000 1.042 112 N CA 0.987 54.004 53.050 -0.055 0.000 0.902 112 N CB 0.194 38.640 38.487 -0.067 0.000 0.986 112 N HN 0.299 nan 8.380 nan 0.000 0.447 113 D N -0.716 119.658 120.400 -0.044 0.000 2.886 113 D HA 0.160 4.800 4.640 -0.000 0.000 0.355 113 D C -2.070 174.182 176.300 -0.079 0.000 1.274 113 D CA -1.573 52.396 54.000 -0.052 0.000 0.836 113 D CB 0.967 41.802 40.800 0.058 0.000 1.109 113 D HN 0.033 nan 8.370 nan 0.000 0.488 114 P HA -0.140 nan 4.420 nan 0.000 0.220 114 P C 1.167 178.392 177.300 -0.126 0.000 1.148 114 P CA 0.494 63.520 63.100 -0.123 0.000 0.803 114 P CB 0.636 32.241 31.700 -0.158 0.000 0.782 115 V N -1.049 118.772 119.914 -0.155 0.000 2.672 115 V HA 0.365 4.485 4.120 -0.000 0.000 0.242 115 V C 1.287 177.327 176.094 -0.091 0.000 1.059 115 V CA 1.268 63.490 62.300 -0.129 0.000 1.081 115 V CB -0.414 31.311 31.823 -0.164 0.000 0.752 115 V HN 0.206 nan 8.190 nan 0.000 0.472 116 A N -0.960 121.784 122.820 -0.125 0.000 2.601 116 A HA 0.705 5.025 4.320 -0.000 0.000 0.291 116 A C -1.721 175.814 177.584 -0.083 0.000 1.075 116 A CA -0.336 51.657 52.037 -0.074 0.000 0.671 116 A CB 1.709 20.695 19.000 -0.023 0.000 1.277 116 A HN -0.053 nan 8.150 nan 0.000 0.417 117 V N 2.065 122.022 119.914 0.071 0.000 2.378 117 V HA 0.575 4.695 4.120 -0.000 0.000 0.288 117 V C -0.842 175.483 176.094 0.385 0.000 1.016 117 V CA -0.332 62.058 62.300 0.151 0.000 0.840 117 V CB 0.773 32.611 31.823 0.024 0.000 0.994 117 V HN 0.700 nan 8.190 nan 0.000 0.431 118 F N 1.202 121.233 119.950 0.136 0.000 2.450 118 F HA 0.512 5.039 4.527 -0.000 0.000 0.361 118 F C 0.855 176.702 175.800 0.078 0.000 1.092 118 F CA -1.893 56.164 58.000 0.095 0.000 1.105 118 F CB 0.459 39.519 39.000 0.101 0.000 1.458 118 F HN 0.485 nan 8.300 nan 0.000 0.496 119 D N -0.387 120.150 120.400 0.228 0.000 2.474 119 D HA 0.389 5.029 4.640 -0.000 0.000 0.232 119 D C 0.309 176.677 176.300 0.113 0.000 1.177 119 D CA 0.766 54.827 54.000 0.102 0.000 0.876 119 D CB 0.276 41.114 40.800 0.063 0.000 1.208 119 D HN 0.714 nan 8.370 nan 0.000 0.464 120 G N -1.461 107.357 108.800 0.029 0.000 2.649 120 G HA2 0.727 4.687 3.960 -0.000 0.000 0.290 120 G HA3 0.727 4.687 3.960 -0.000 0.000 0.290 120 G C -1.832 173.018 174.900 -0.083 0.000 1.426 120 G CA -0.433 44.668 45.100 0.003 0.000 0.794 120 G HN 0.650 nan 8.290 nan 0.000 0.483 121 A N -0.940 121.800 122.820 -0.133 0.000 2.515 121 A HA 0.864 5.184 4.320 -0.000 0.000 0.296 121 A C -1.244 176.178 177.584 -0.269 0.000 1.094 121 A CA -0.602 51.318 52.037 -0.196 0.000 0.718 121 A CB 1.935 20.794 19.000 -0.235 0.000 1.307 121 A HN 1.380 nan 8.150 nan 0.000 0.408 122 V N 1.449 121.194 119.914 -0.281 0.000 2.555 122 V HA 0.424 4.544 4.120 -0.000 0.000 0.302 122 V C -0.446 175.405 176.094 -0.405 0.000 1.038 122 V CA -0.266 61.821 62.300 -0.356 0.000 0.887 122 V CB 1.580 33.130 31.823 -0.455 0.000 0.991 122 V HN 0.691 nan 8.190 nan 0.000 0.434 123 I N 6.468 126.732 120.570 -0.510 0.000 2.304 123 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 123 I C -1.560 174.327 176.117 -0.384 0.000 1.018 123 I CA -1.735 59.148 61.300 -0.696 0.000 1.260 123 I CB 2.025 39.504 38.000 -0.868 0.000 1.390 123 I HN 0.462 nan 8.210 nan 0.000 0.475 124 P HA -0.139 nan 4.420 nan 0.000 0.215 124 P C 0.151 177.416 177.300 -0.057 0.000 1.157 124 P CA 1.154 64.222 63.100 -0.053 0.000 0.874 124 P CB 0.194 31.982 31.700 0.147 0.000 0.790 125 V N -0.723 119.203 119.914 0.019 0.000 2.266 125 V HA 0.557 4.677 4.120 -0.000 0.000 0.271 125 V C 0.784 176.859 176.094 -0.031 0.000 1.032 125 V CA -0.004 62.310 62.300 0.024 0.000 0.806 125 V CB 0.535 32.435 31.823 0.128 0.000 1.052 125 V HN 0.122 nan 8.190 nan 0.000 0.449 126 G N 3.098 111.747 108.800 -0.252 0.000 3.407 126 G HA2 0.485 4.445 3.960 -0.000 0.000 0.187 126 G HA3 0.485 4.445 3.960 -0.000 0.000 0.187 126 G C -0.100 174.397 174.900 -0.671 0.000 1.262 126 G CA -0.464 44.232 45.100 -0.674 0.000 0.808 126 G HN 0.328 nan 8.290 nan 0.000 0.687 127 V N 2.044 121.496 119.914 -0.769 0.000 2.694 127 V HA 0.083 4.203 4.120 -0.000 0.000 0.306 127 V C 0.600 176.570 176.094 -0.207 0.000 1.054 127 V CA 0.610 62.678 62.300 -0.386 0.000 1.161 127 V CB 0.751 32.406 31.823 -0.280 0.000 0.916 127 V HN 0.718 nan 8.190 nan 0.000 0.490 128 N N 3.336 121.975 118.700 -0.101 0.000 2.681 128 N HA -0.217 4.523 4.740 -0.000 0.000 0.250 128 N C 0.498 175.966 175.510 -0.071 0.000 1.133 128 N CA 1.139 54.147 53.050 -0.070 0.000 0.732 128 N CB -1.334 37.104 38.487 -0.082 0.000 1.107 128 N HN 0.891 nan 8.380 nan 0.000 0.559 129 N N -2.404 116.255 118.700 -0.068 0.000 2.725 129 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 129 N C -0.075 175.390 175.510 -0.076 0.000 1.103 129 N CA 1.740 54.764 53.050 -0.043 0.000 0.707 129 N CB -1.720 36.765 38.487 -0.004 0.000 1.043 129 N HN 0.805 nan 8.380 nan 0.000 0.553 130 T N -4.240 110.231 114.554 -0.138 0.000 2.926 130 T HA 0.599 4.949 4.350 -0.000 0.000 0.289 130 T C -3.088 171.473 174.700 -0.231 0.000 1.054 130 T CA -2.109 59.894 62.100 -0.162 0.000 1.015 130 T CB 2.977 71.738 68.868 -0.178 0.000 1.167 130 T HN -0.307 nan 8.240 nan 0.000 0.526 131 P HA 0.186 nan 4.420 nan 0.000 0.258 131 P C -0.628 176.496 177.300 -0.293 0.000 1.172 131 P CA 0.336 63.208 63.100 -0.380 0.000 0.762 131 P CB 0.063 31.421 31.700 -0.570 0.000 0.764 132 T N 4.732 119.118 114.554 -0.281 0.000 2.786 132 T HA 0.418 4.768 4.350 -0.000 0.000 0.283 132 T C -0.420 174.180 174.700 -0.166 0.000 0.992 132 T CA -0.458 61.522 62.100 -0.200 0.000 0.954 132 T CB 0.588 69.242 68.868 -0.357 0.000 0.934 132 T HN 0.109 nan 8.240 nan 0.000 0.440 133 L N 4.611 125.817 121.223 -0.029 0.000 2.289 133 L HA 0.705 5.045 4.340 -0.000 0.000 0.285 133 L C -1.094 175.737 176.870 -0.064 0.000 1.049 133 L CA -0.754 53.991 54.840 -0.158 0.000 0.804 133 L CB 0.860 42.715 42.059 -0.341 0.000 1.195 133 L HN 0.528 nan 8.230 nan 0.000 0.428 134 L N 7.405 128.549 121.223 -0.132 0.000 2.316 134 L HA 0.558 4.898 4.340 -0.000 0.000 0.280 134 L C -1.184 175.635 176.870 -0.086 0.000 1.006 134 L CA -0.256 54.479 54.840 -0.176 0.000 0.836 134 L CB 0.748 42.609 42.059 -0.330 0.000 1.221 134 L HN 0.668 nan 8.230 nan 0.000 0.418 135 Y N 0.765 120.952 120.300 -0.188 0.000 2.605 135 Y HA 0.758 5.308 4.550 -0.000 0.000 0.343 135 Y C -0.458 175.380 175.900 -0.103 0.000 1.036 135 Y CA -1.136 56.882 58.100 -0.136 0.000 1.065 135 Y CB 1.020 39.405 38.460 -0.126 0.000 1.288 135 Y HN 0.359 nan 8.280 nan 0.000 0.481 136 T N 2.845 117.405 114.554 0.010 0.000 2.727 136 T HA 0.321 4.671 4.350 -0.000 0.000 0.295 136 T C -0.413 174.250 174.700 -0.061 0.000 0.915 136 T CA -0.514 61.548 62.100 -0.063 0.000 1.066 136 T CB -0.279 68.657 68.868 0.115 0.000 0.891 136 T HN 0.674 nan 8.240 nan 0.000 0.516 137 S N 2.776 118.316 115.700 -0.266 0.000 2.457 137 S HA 0.580 5.050 4.470 -0.000 0.000 0.289 137 S C -0.055 174.439 174.600 -0.176 0.000 1.163 137 S CA -0.923 57.179 58.200 -0.163 0.000 1.078 137 S CB 0.977 64.033 63.200 -0.241 0.000 0.987 137 S HN 0.408 nan 8.310 nan 0.000 0.482 138 V N 3.088 122.856 119.914 -0.245 0.000 2.483 138 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 138 V C 0.421 176.369 176.094 -0.243 0.000 1.035 138 V CA -0.504 61.606 62.300 -0.317 0.000 0.896 138 V CB 1.581 33.013 31.823 -0.652 0.000 0.986 138 V HN 1.054 nan 8.190 nan 0.000 0.447 139 S N 2.612 118.174 115.700 -0.230 0.000 2.604 139 S HA 0.453 4.923 4.470 -0.000 0.000 0.235 139 S C -0.305 173.802 174.600 -0.823 0.000 1.043 139 S CA 0.127 58.052 58.200 -0.458 0.000 0.997 139 S CB 0.296 63.230 63.200 -0.442 0.000 0.956 139 S HN 0.536 nan 8.310 nan 0.000 0.535 140 F N 0.816 120.707 119.950 -0.097 0.000 2.601 140 F HA 0.671 5.198 4.527 -0.000 0.000 0.309 140 F C -0.623 175.134 175.800 -0.072 0.000 1.089 140 F CA -0.907 57.043 58.000 -0.083 0.000 0.940 140 F CB 1.470 40.408 39.000 -0.102 0.000 1.273 140 F HN -0.163 nan 8.300 nan 0.000 0.450 141 L N 2.485 123.799 121.223 0.151 0.000 2.469 141 L HA 0.597 4.937 4.340 -0.000 0.000 0.256 141 L C -2.265 174.662 176.870 0.095 0.000 1.006 141 L CA -1.760 53.145 54.840 0.108 0.000 0.832 141 L CB 2.530 44.645 42.059 0.093 0.000 1.421 141 L HN 0.479 nan 8.230 nan 0.000 0.410 142 P HA 0.483 nan 4.420 nan 0.000 0.276 142 P C -1.249 176.117 177.300 0.109 0.000 1.261 142 P CA -0.313 62.846 63.100 0.097 0.000 0.800 142 P CB 1.499 33.242 31.700 0.071 0.000 1.066 143 I N 0.838 121.515 120.570 0.179 0.000 2.468 143 I HA 0.334 4.504 4.170 -0.000 0.000 0.285 143 I C -0.299 176.000 176.117 0.304 0.000 1.039 143 I CA -0.428 61.007 61.300 0.224 0.000 1.074 143 I CB 1.531 39.707 38.000 0.293 0.000 1.228 143 I HN 0.460 nan 8.210 nan 0.000 0.436 144 H N 6.151 125.319 119.070 0.163 0.000 3.068 144 H HA 0.123 4.679 4.556 0.000 0.000 0.342 144 H C -0.361 175.032 175.328 0.109 0.000 1.284 144 H CA -0.712 55.381 56.048 0.075 0.000 1.181 144 H CB 2.197 31.889 29.762 -0.117 0.000 1.898 144 H HN 0.798 nan 8.280 nan 0.000 0.540 145 W N 2.798 123.963 121.300 -0.225 0.000 2.465 145 W HA -0.075 4.585 4.660 0.000 0.000 0.268 145 W C 0.699 177.270 176.519 0.086 0.000 1.242 145 W CA 1.058 58.347 57.345 -0.093 0.000 1.248 145 W CB -0.861 28.485 29.460 -0.189 0.000 1.118 145 W HN 0.396 nan 8.180 nan 0.000 0.587 146 S N 0.912 116.363 115.700 -0.416 0.000 2.593 146 S HA 0.189 4.659 4.470 -0.000 0.000 0.217 146 S C 0.684 175.246 174.600 -0.063 0.000 0.966 146 S CA 0.055 57.986 58.200 -0.449 0.000 0.914 146 S CB -1.079 61.484 63.200 -1.061 0.000 0.776 146 S HN 0.400 nan 8.310 nan 0.000 0.523 147 I N -3.556 117.079 120.570 0.109 0.000 3.174 147 I HA 0.683 4.853 4.170 -0.000 0.000 0.313 147 I C -3.289 172.933 176.117 0.176 0.000 1.155 147 I CA -3.322 58.033 61.300 0.092 0.000 0.977 147 I CB 1.023 39.038 38.000 0.025 0.000 1.248 147 I HN -0.295 nan 8.210 nan 0.000 0.453 148 P HA 0.046 nan 4.420 nan 0.000 0.266 148 P C -1.551 175.816 177.300 0.112 0.000 1.195 148 P CA 0.448 63.538 63.100 -0.017 0.000 0.768 148 P CB 0.097 31.764 31.700 -0.054 0.000 0.838 149 Y N 2.126 122.438 120.300 0.021 0.000 2.316 149 Y HA 0.231 4.781 4.550 0.000 0.000 0.331 149 Y C 0.257 176.165 175.900 0.012 0.000 1.083 149 Y CA 0.188 58.341 58.100 0.088 0.000 1.206 149 Y CB 0.603 39.143 38.460 0.134 0.000 1.195 149 Y HN 0.222 nan 8.280 nan 0.000 0.497 150 T N 7.458 121.768 114.554 -0.407 0.000 2.729 150 T HA 0.206 4.556 4.350 -0.000 0.000 0.296 150 T C -0.215 174.278 174.700 -0.346 0.000 0.928 150 T CA -0.588 61.301 62.100 -0.350 0.000 1.045 150 T CB 0.066 68.696 68.868 -0.395 0.000 0.902 150 T HN 0.522 nan 8.240 nan 0.000 0.500 151 R N 2.408 122.831 120.500 -0.128 0.000 2.537 151 R HA 0.288 4.628 4.340 -0.000 0.000 0.281 151 R C 1.451 177.707 176.300 -0.074 0.000 0.988 151 R CA 1.607 57.719 56.100 0.020 0.000 1.077 151 R CB -0.600 29.693 30.300 -0.012 0.000 0.932 151 R HN 0.951 nan 8.270 nan 0.000 0.409 152 G N 1.970 110.835 108.800 0.109 0.000 2.179 152 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 152 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 152 G C 1.017 176.095 174.900 0.297 0.000 0.977 152 G CA 0.563 45.770 45.100 0.179 0.000 0.641 152 G HN 0.601 nan 8.290 nan 0.000 0.533 153 S N 0.146 115.955 115.700 0.182 0.000 2.359 153 S HA 0.043 4.513 4.470 -0.000 0.000 0.224 153 S C 0.896 175.572 174.600 0.126 0.000 1.035 153 S CA 1.754 60.042 58.200 0.147 0.000 1.018 153 S CB -0.017 63.033 63.200 -0.250 0.000 0.876 153 S HN 0.769 nan 8.310 nan 0.000 0.448 154 E N 0.451 120.798 120.200 0.246 0.000 2.224 154 E HA 0.473 4.823 4.350 -0.000 0.000 0.265 154 E C -0.610 176.141 176.600 0.252 0.000 0.878 154 E CA -0.479 56.056 56.400 0.224 0.000 0.759 154 E CB 2.079 31.998 29.700 0.365 0.000 1.164 154 E HN 0.328 nan 8.360 nan 0.000 0.414 155 T N -0.185 114.425 114.554 0.092 0.000 2.865 155 T HA 0.444 4.794 4.350 -0.000 0.000 0.294 155 T C -0.828 173.812 174.700 -0.099 0.000 1.119 155 T CA -1.167 60.968 62.100 0.058 0.000 1.007 155 T CB 1.627 70.494 68.868 -0.002 0.000 1.225 155 T HN 0.144 nan 8.240 nan 0.000 0.515 156 Q N 1.063 120.768 119.800 -0.158 0.000 2.333 156 Q HA 0.689 5.029 4.340 -0.000 0.000 0.265 156 Q C -0.866 174.908 176.000 -0.376 0.000 0.989 156 Q CA -0.608 55.000 55.803 -0.325 0.000 0.842 156 Q CB 1.946 30.468 28.738 -0.359 0.000 1.262 156 Q HN 0.751 nan 8.270 nan 0.000 0.451 157 S N 1.621 116.965 115.700 -0.593 0.000 2.677 157 S HA 0.724 5.194 4.470 -0.000 0.000 0.304 157 S C -0.195 174.182 174.600 -0.371 0.000 1.108 157 S CA -0.731 57.173 58.200 -0.494 0.000 0.944 157 S CB 1.283 64.149 63.200 -0.557 0.000 1.127 157 S HN 0.412 nan 8.310 nan 0.000 0.511 158 L N 1.269 122.418 121.223 -0.123 0.000 2.334 158 L HA 0.879 5.219 4.340 -0.000 0.000 0.273 158 L C -0.204 176.740 176.870 0.123 0.000 1.013 158 L CA -0.682 54.160 54.840 0.003 0.000 0.816 158 L CB 1.632 43.682 42.059 -0.015 0.000 1.278 158 L HN 0.767 nan 8.230 nan 0.000 0.431 159 A N 2.334 125.247 122.820 0.154 0.000 2.515 159 A HA 0.828 5.148 4.320 -0.000 0.000 0.298 159 A C -1.359 176.318 177.584 0.155 0.000 1.059 159 A CA -0.477 51.665 52.037 0.174 0.000 0.698 159 A CB 2.054 21.191 19.000 0.227 0.000 1.289 159 A HN 0.343 nan 8.150 nan 0.000 0.404 160 V N 1.113 121.046 119.914 0.031 0.000 2.628 160 V HA 0.695 4.815 4.120 -0.000 0.000 0.306 160 V C 0.783 176.589 176.094 -0.481 0.000 1.045 160 V CA -0.310 61.896 62.300 -0.156 0.000 0.905 160 V CB 1.680 33.406 31.823 -0.162 0.000 0.997 160 V HN 1.439 nan 8.190 nan 0.000 0.436 161 A N 5.642 127.925 122.820 -0.895 0.000 2.462 161 A HA 0.686 5.006 4.320 -0.000 0.000 0.243 161 A C 0.124 177.371 177.584 -0.560 0.000 1.076 161 A CA -0.032 51.259 52.037 -1.243 0.000 0.773 161 A CB 0.201 18.526 19.000 -1.126 0.000 1.010 161 A HN 0.729 nan 8.150 nan 0.000 0.493 162 R N 0.614 120.855 120.500 -0.431 0.000 2.799 162 R HA 0.324 4.664 4.340 -0.000 0.000 0.270 162 R C -0.959 175.258 176.300 -0.139 0.000 1.010 162 R CA -0.583 55.387 56.100 -0.218 0.000 0.916 162 R CB 0.942 31.148 30.300 -0.158 0.000 1.228 162 R HN 0.922 nan 8.270 nan 0.000 0.469 163 D N 0.670 121.022 120.400 -0.079 0.000 2.740 163 D HA -0.172 4.468 4.640 -0.000 0.000 0.231 163 D C 0.692 176.988 176.300 -0.007 0.000 1.194 163 D CA 1.813 55.793 54.000 -0.033 0.000 0.673 163 D CB -0.904 39.885 40.800 -0.018 0.000 0.995 163 D HN 0.929 nan 8.370 nan 0.000 0.411 164 G N 0.094 108.891 108.800 -0.004 0.000 2.225 164 G HA2 0.040 4.000 3.960 -0.000 0.000 0.267 164 G HA3 0.040 4.000 3.960 -0.000 0.000 0.267 164 G C 1.410 176.395 174.900 0.142 0.000 1.024 164 G CA 0.868 46.004 45.100 0.060 0.000 0.784 164 G HN 1.850 nan 8.290 nan 0.000 0.507 165 G N -1.258 107.558 108.800 0.027 0.000 2.162 165 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 165 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 165 G C 1.023 176.039 174.900 0.193 0.000 0.976 165 G CA 1.146 46.296 45.100 0.084 0.000 0.655 165 G HN 0.972 nan 8.290 nan 0.000 0.533 166 R N -0.414 120.151 120.500 0.108 0.000 2.323 166 R HA 0.203 4.543 4.340 -0.000 0.000 0.198 166 R C 1.184 177.545 176.300 0.101 0.000 0.988 166 R CA 0.914 57.078 56.100 0.107 0.000 1.041 166 R CB 0.228 30.568 30.300 0.067 0.000 0.926 166 R HN 0.472 nan 8.270 nan 0.000 0.476 167 R N -0.366 120.175 120.500 0.068 0.000 2.664 167 R HA 0.219 4.559 4.340 -0.000 0.000 0.266 167 R C -1.927 174.367 176.300 -0.011 0.000 1.046 167 R CA -0.572 55.576 56.100 0.081 0.000 0.885 167 R CB 1.110 31.424 30.300 0.023 0.000 1.254 167 R HN -0.111 nan 8.270 nan 0.000 0.465 168 F N 1.929 121.847 119.950 -0.053 0.000 2.460 168 F HA 0.333 4.860 4.527 -0.000 0.000 0.341 168 F C -0.436 175.316 175.800 -0.081 0.000 1.130 168 F CA -0.577 57.370 58.000 -0.087 0.000 0.962 168 F CB 1.794 40.716 39.000 -0.130 0.000 1.171 168 F HN 0.305 nan 8.300 nan 0.000 0.436 169 D N 4.183 124.583 120.400 0.001 0.000 2.264 169 D HA 0.174 4.814 4.640 -0.000 0.000 0.250 169 D C -0.137 176.184 176.300 0.035 0.000 1.113 169 D CA -0.331 53.670 54.000 0.002 0.000 0.871 169 D CB 1.297 42.073 40.800 -0.040 0.000 1.167 169 D HN 0.380 nan 8.370 nan 0.000 0.447 170 K N 1.693 122.120 120.400 0.046 0.000 2.350 170 K HA 0.214 4.534 4.320 -0.000 0.000 0.279 170 K C 0.347 176.971 176.600 0.039 0.000 1.027 170 K CA -0.381 55.952 56.287 0.077 0.000 0.969 170 K CB 0.958 33.509 32.500 0.086 0.000 0.954 170 K HN 0.253 nan 8.250 nan 0.000 0.474 171 L N 2.206 123.452 121.223 0.038 0.000 2.456 171 L HA -0.022 4.318 4.340 -0.000 0.000 0.272 171 L C 0.637 177.511 176.870 0.007 0.000 1.189 171 L CA -0.074 54.771 54.840 0.008 0.000 0.846 171 L CB 0.275 42.334 42.059 -0.000 0.000 1.111 171 L HN 0.649 nan 8.230 nan 0.000 0.475 172 D N 3.279 123.679 120.400 -0.001 0.000 2.688 172 D HA 0.147 4.787 4.640 -0.000 0.000 0.228 172 D C -0.246 176.052 176.300 -0.004 0.000 1.116 172 D CA 0.062 54.061 54.000 -0.002 0.000 1.023 172 D CB 0.071 40.869 40.800 -0.005 0.000 1.100 172 D HN 0.533 nan 8.370 nan 0.000 0.487 173 Q N -0.681 119.115 119.800 -0.006 0.000 2.738 173 Q HA 0.580 4.920 4.340 -0.000 0.000 0.301 173 Q C -0.029 175.962 176.000 -0.015 0.000 0.901 173 Q CA -1.401 54.397 55.803 -0.009 0.000 0.756 173 Q CB 0.264 28.994 28.738 -0.012 0.000 1.463 173 Q HN 0.060 nan 8.270 nan 0.000 0.432 174 G N 0.639 109.431 108.800 -0.014 0.000 2.611 174 G HA2 0.476 4.436 3.960 -0.000 0.000 0.273 174 G HA3 0.476 4.436 3.960 -0.000 0.000 0.273 174 G C -2.238 172.638 174.900 -0.040 0.000 1.305 174 G CA -1.029 44.058 45.100 -0.022 0.000 1.010 174 G HN 0.605 nan 8.290 nan 0.000 0.509 175 P HA 0.034 nan 4.420 nan 0.000 0.268 175 P C 1.196 178.464 177.300 -0.053 0.000 1.205 175 P CA -0.025 63.022 63.100 -0.089 0.000 0.771 175 P CB 1.294 32.938 31.700 -0.093 0.000 0.858 176 V N 0.709 120.582 119.914 -0.069 0.000 3.041 176 V HA 0.095 4.215 4.120 -0.000 0.000 0.260 176 V C 1.056 177.183 176.094 0.055 0.000 1.105 176 V CA 1.054 63.361 62.300 0.012 0.000 1.125 176 V CB -0.813 31.069 31.823 0.099 0.000 0.730 176 V HN 0.333 nan 8.190 nan 0.000 0.479 177 I N 0.930 121.471 120.570 -0.048 0.000 2.563 177 I HA 0.557 4.727 4.170 -0.000 0.000 0.276 177 I C 0.880 177.000 176.117 0.004 0.000 1.074 177 I CA -0.121 61.165 61.300 -0.023 0.000 1.124 177 I CB 1.451 39.342 38.000 -0.181 0.000 1.225 177 I HN 0.071 nan 8.210 nan 0.000 0.482 178 A N 3.353 126.186 122.820 0.022 0.000 2.251 178 A HA 0.185 4.505 4.320 -0.000 0.000 0.209 178 A C 0.237 177.814 177.584 -0.012 0.000 1.187 178 A CA 0.686 52.730 52.037 0.010 0.000 0.823 178 A CB -0.180 18.830 19.000 0.017 0.000 0.846 178 A HN 0.660 nan 8.150 nan 0.000 0.486 179 D N -2.062 118.303 120.400 -0.059 0.000 2.648 179 D HA 0.341 4.981 4.640 -0.000 0.000 0.244 179 D C -0.719 175.302 176.300 -0.465 0.000 1.244 179 D CA -0.582 53.282 54.000 -0.227 0.000 0.772 179 D CB 0.621 41.281 40.800 -0.234 0.000 1.379 179 D HN 0.347 nan 8.370 nan 0.000 0.428 180 H N -0.990 117.706 119.070 -0.622 0.000 2.603 180 H HA 0.619 5.175 4.556 -0.000 0.000 0.370 180 H C -2.339 172.561 175.328 -0.712 0.000 1.225 180 H CA -1.574 53.733 56.048 -1.234 0.000 1.410 180 H CB -0.880 28.202 29.762 -1.133 0.000 1.495 180 H HN 0.020 nan 8.280 nan 0.000 0.602 181 P HA -0.135 nan 4.420 nan 0.000 0.263 181 P C -0.496 176.769 177.300 -0.059 0.000 1.168 181 P CA 0.331 63.182 63.100 -0.414 0.000 0.759 181 P CB 0.043 31.418 31.700 -0.541 0.000 0.782 182 F N 4.269 124.142 119.950 -0.129 0.000 2.549 182 F HA 0.102 4.629 4.527 -0.000 0.000 0.400 182 F C 1.298 177.107 175.800 0.016 0.000 1.011 182 F CA 0.882 58.846 58.000 -0.059 0.000 1.148 182 F CB -0.688 38.298 39.000 -0.023 0.000 0.993 182 F HN 0.648 nan 8.300 nan 0.000 0.540 183 A N 3.247 125.675 122.820 -0.653 0.000 2.945 183 A HA -0.221 4.099 4.320 -0.000 0.000 0.263 183 A C 0.117 177.578 177.584 -0.205 0.000 1.293 183 A CA 0.909 52.609 52.037 -0.561 0.000 0.944 183 A CB -2.672 15.772 19.000 -0.926 0.000 1.093 183 A HN 0.693 nan 8.150 nan 0.000 0.786 184 V N 1.526 121.388 119.914 -0.088 0.000 2.432 184 V HA 0.301 4.421 4.120 -0.000 0.000 0.271 184 V C 0.666 176.601 176.094 -0.264 0.000 1.046 184 V CA 0.268 62.505 62.300 -0.106 0.000 0.945 184 V CB 1.460 33.249 31.823 -0.057 0.000 0.992 184 V HN 0.445 nan 8.190 nan 0.000 0.471 185 D N 4.759 125.065 120.400 -0.156 0.000 2.600 185 D HA 0.095 4.735 4.640 -0.000 0.000 0.226 185 D C 0.331 176.574 176.300 -0.094 0.000 1.119 185 D CA -0.074 53.846 54.000 -0.134 0.000 1.051 185 D CB 0.189 40.982 40.800 -0.011 0.000 1.106 185 D HN 0.464 nan 8.370 nan 0.000 0.491 186 V N 1.185 120.844 119.914 -0.425 0.000 2.963 186 V HA 0.212 4.332 4.120 -0.000 0.000 0.306 186 V C 1.475 177.421 176.094 -0.247 0.000 1.077 186 V CA 0.326 62.417 62.300 -0.349 0.000 1.124 186 V CB 0.868 32.319 31.823 -0.620 0.000 0.987 186 V HN 0.419 nan 8.190 nan 0.000 0.487 187 T N -0.115 114.341 114.554 -0.163 0.000 3.051 187 T HA 0.628 4.978 4.350 -0.000 0.000 0.255 187 T C 0.607 175.378 174.700 0.118 0.000 1.085 187 T CA 0.527 62.555 62.100 -0.121 0.000 1.109 187 T CB 0.077 68.845 68.868 -0.167 0.000 0.921 187 T HN 1.889 nan 8.240 nan 0.000 0.488 188 A N 0.237 123.093 122.820 0.061 0.000 2.597 188 A HA 0.660 4.980 4.320 -0.000 0.000 0.292 188 A C -2.076 175.705 177.584 0.327 0.000 1.057 188 A CA -0.874 51.323 52.037 0.268 0.000 0.674 188 A CB 0.745 19.936 19.000 0.319 0.000 1.278 188 A HN 0.308 nan 8.150 nan 0.000 0.416 189 F N 1.610 121.687 119.950 0.212 0.000 2.946 189 F HA 0.493 5.020 4.527 0.000 0.000 0.375 189 F C -0.006 175.937 175.800 0.239 0.000 1.320 189 F CA -0.081 58.031 58.000 0.186 0.000 1.181 189 F CB 0.408 39.413 39.000 0.008 0.000 2.051 189 F HN 0.869 nan 8.300 nan 0.000 0.622 190 R N 1.631 122.181 120.500 0.083 0.000 2.846 190 R HA 0.872 5.212 4.340 -0.000 0.000 0.263 190 R C -0.174 176.164 176.300 0.064 0.000 1.080 190 R CA -0.821 55.323 56.100 0.073 0.000 0.961 190 R CB 1.112 31.596 30.300 0.305 0.000 1.231 190 R HN 0.826 nan 8.270 nan 0.000 0.465 191 A N -0.229 122.646 122.820 0.090 0.000 2.734 191 A HA -0.074 4.246 4.320 -0.000 0.000 0.296 191 A C -2.074 175.572 177.584 0.103 0.000 1.474 191 A CA 0.203 52.302 52.037 0.103 0.000 0.735 191 A CB -1.875 17.196 19.000 0.118 0.000 1.062 191 A HN 0.656 nan 8.150 nan 0.000 0.463 192 P HA 0.368 nan 4.420 nan 0.000 0.265 192 P C -0.473 176.925 177.300 0.165 0.000 1.193 192 P CA 0.489 63.609 63.100 0.033 0.000 0.765 192 P CB 0.411 32.024 31.700 -0.145 0.000 0.823 193 F N 4.450 124.472 119.950 0.121 0.000 2.518 193 F HA 0.353 4.880 4.527 -0.000 0.000 0.323 193 F C -0.450 175.555 175.800 0.341 0.000 1.129 193 F CA -0.888 57.238 58.000 0.210 0.000 0.920 193 F CB 1.558 40.707 39.000 0.248 0.000 1.160 193 F HN 0.193 nan 8.300 nan 0.000 0.440 194 V N 4.507 124.320 119.914 -0.167 0.000 2.617 194 V HA 0.814 4.934 4.120 -0.000 0.000 0.298 194 V C -0.920 175.455 176.094 0.469 0.000 1.048 194 V CA -0.649 61.738 62.300 0.145 0.000 0.964 194 V CB 1.161 32.938 31.823 -0.077 0.000 1.004 194 V HN 0.830 nan 8.190 nan 0.000 0.466 195 F N 0.684 121.030 119.950 0.660 0.000 2.744 195 F HA 0.830 5.356 4.527 -0.000 0.000 0.311 195 F C -0.863 175.246 175.800 0.516 0.000 1.144 195 F CA -1.371 57.023 58.000 0.656 0.000 0.938 195 F CB 1.535 40.946 39.000 0.685 0.000 1.292 195 F HN 0.540 nan 8.300 nan 0.000 0.444 196 R N 0.957 121.692 120.500 0.391 0.000 2.732 196 R HA 0.788 5.128 4.340 -0.000 0.000 0.278 196 R C -1.339 175.051 176.300 0.151 0.000 0.976 196 R CA -1.236 54.947 56.100 0.139 0.000 0.963 196 R CB 2.064 32.300 30.300 -0.107 0.000 1.150 196 R HN 0.814 nan 8.270 nan 0.000 0.478 197 S N 0.287 115.994 115.700 0.011 0.000 2.603 197 S HA 0.395 4.865 4.470 -0.000 0.000 0.274 197 S C 0.122 174.267 174.600 -0.760 0.000 1.168 197 S CA -0.257 57.600 58.200 -0.571 0.000 0.963 197 S CB 1.677 64.614 63.200 -0.438 0.000 1.078 197 S HN 0.733 nan 8.310 nan 0.000 0.477 198 A N 4.660 126.570 122.820 -1.516 0.000 1.873 198 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 198 A C 1.991 179.127 177.584 -0.748 0.000 1.186 198 A CA 1.506 52.401 52.037 -1.903 0.000 0.616 198 A CB -0.586 17.391 19.000 -1.705 0.000 0.823 198 A HN 0.865 nan 8.150 nan 0.000 0.442 199 R N -0.395 119.803 120.500 -0.504 0.000 2.081 199 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 199 R C 1.980 178.204 176.300 -0.126 0.000 1.131 199 R CA 1.464 57.432 56.100 -0.220 0.000 0.960 199 R CB -0.369 29.871 30.300 -0.101 0.000 0.856 199 R HN 0.537 nan 8.270 nan 0.000 0.436 200 L N 0.363 121.491 121.223 -0.158 0.000 2.056 200 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 200 L C 1.885 178.785 176.870 0.050 0.000 1.078 200 L CA 1.149 55.920 54.840 -0.115 0.000 0.749 200 L CB -0.491 41.266 42.059 -0.502 0.000 0.901 200 L HN 0.206 nan 8.230 nan 0.000 0.433 201 D N -0.144 120.314 120.400 0.098 0.000 2.104 201 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 201 D C 2.315 178.689 176.300 0.123 0.000 0.994 201 D CA 1.150 55.276 54.000 0.209 0.000 0.830 201 D CB -0.252 40.746 40.800 0.329 0.000 0.959 201 D HN 0.065 nan 8.370 nan 0.000 0.452 202 V N 0.977 120.919 119.914 0.046 0.000 2.261 202 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 202 V C 2.683 178.804 176.094 0.045 0.000 1.047 202 V CA 1.189 63.515 62.300 0.044 0.000 1.015 202 V CB -0.564 31.259 31.823 0.000 0.000 0.642 202 V HN 0.203 nan 8.190 nan 0.000 0.446 203 L N -0.634 120.611 121.223 0.035 0.000 2.042 203 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 203 L C 2.366 179.271 176.870 0.059 0.000 1.076 203 L CA 1.599 56.465 54.840 0.044 0.000 0.749 203 L CB -0.536 41.551 42.059 0.047 0.000 0.893 203 L HN 0.316 nan 8.230 nan 0.000 0.432 204 L N -0.825 120.446 121.223 0.081 0.000 2.291 204 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 204 L C 2.695 179.606 176.870 0.068 0.000 1.120 204 L CA 1.104 55.996 54.840 0.087 0.000 0.799 204 L CB -0.412 41.725 42.059 0.130 0.000 0.925 204 L HN 0.380 nan 8.230 nan 0.000 0.446 205 S N -0.705 115.035 115.700 0.067 0.000 2.441 205 S HA 0.095 4.565 4.470 -0.000 0.000 0.224 205 S C 0.945 175.570 174.600 0.042 0.000 1.043 205 S CA -0.255 57.977 58.200 0.053 0.000 0.948 205 S CB -0.367 62.870 63.200 0.062 0.000 0.810 205 S HN 0.153 nan 8.310 nan 0.000 0.504 206 L N 3.060 124.307 121.223 0.041 0.000 2.467 206 L HA 0.195 4.535 4.340 -0.000 0.000 0.270 206 L C -0.015 176.872 176.870 0.028 0.000 1.205 206 L CA -0.442 54.418 54.840 0.032 0.000 0.828 206 L CB 0.178 42.256 42.059 0.030 0.000 1.101 206 L HN 0.336 nan 8.230 nan 0.000 0.479 207 D N 1.867 122.280 120.400 0.023 0.000 2.423 207 D HA -0.048 4.592 4.640 -0.000 0.000 0.238 207 D C 1.020 177.333 176.300 0.020 0.000 1.142 207 D CA -0.062 53.950 54.000 0.020 0.000 0.884 207 D CB 0.729 41.539 40.800 0.016 0.000 1.199 207 D HN 0.591 nan 8.370 nan 0.000 0.438 208 E N 1.745 121.957 120.200 0.020 0.000 2.033 208 E HA -0.290 4.060 4.350 -0.000 0.000 0.199 208 E C 1.094 177.704 176.600 0.016 0.000 1.011 208 E CA 1.269 57.681 56.400 0.020 0.000 0.815 208 E CB -0.254 29.457 29.700 0.019 0.000 0.755 208 E HN 0.384 nan 8.360 nan 0.000 0.451 209 E N 0.399 120.607 120.200 0.014 0.000 2.409 209 E HA -0.078 4.272 4.350 -0.000 0.000 0.198 209 E C 1.875 178.481 176.600 0.011 0.000 1.024 209 E CA 0.636 57.043 56.400 0.011 0.000 0.861 209 E CB 0.212 29.918 29.700 0.009 0.000 0.788 209 E HN 0.171 nan 8.360 nan 0.000 0.521 210 V N -0.116 119.806 119.914 0.013 0.000 2.575 210 V HA 0.025 4.145 4.120 -0.000 0.000 0.242 210 V C 1.918 178.021 176.094 0.014 0.000 1.045 210 V CA 1.189 63.497 62.300 0.013 0.000 1.065 210 V CB -0.269 31.563 31.823 0.015 0.000 0.717 210 V HN 0.272 nan 8.190 nan 0.000 0.467 211 A N 0.146 122.976 122.820 0.017 0.000 2.264 211 A HA -0.078 4.242 4.320 -0.000 0.000 0.207 211 A C 2.146 179.738 177.584 0.014 0.000 1.196 211 A CA 0.830 52.878 52.037 0.019 0.000 0.778 211 A CB -0.378 18.636 19.000 0.025 0.000 0.779 211 A HN 0.398 nan 8.150 nan 0.000 0.483 212 R N 1.315 121.821 120.500 0.011 0.000 2.041 212 R HA 0.005 4.345 4.340 -0.000 0.000 0.221 212 R C 0.617 176.919 176.300 0.004 0.000 1.196 212 R CA 0.632 56.736 56.100 0.006 0.000 0.969 212 R CB -1.455 28.849 30.300 0.005 0.000 0.858 212 R HN 0.738 nan 8.270 nan 0.000 0.444 213 N N 3.653 122.355 118.700 0.004 0.000 2.411 213 N HA -0.092 4.648 4.740 -0.000 0.000 0.265 213 N C 0.266 175.778 175.510 0.003 0.000 1.266 213 N CA 0.402 53.453 53.050 0.003 0.000 0.889 213 N CB 0.829 39.318 38.487 0.004 0.000 1.069 213 N HN 0.247 nan 8.380 nan 0.000 0.476 214 E N 1.997 122.198 120.200 0.000 0.000 2.118 214 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 214 E C 1.089 177.690 176.600 0.003 0.000 0.992 214 E CA 1.884 58.284 56.400 0.000 0.000 0.804 214 E CB -0.118 29.580 29.700 -0.003 0.000 0.741 214 E HN 0.732 nan 8.360 nan 0.000 0.458 215 T N 1.174 115.731 114.554 0.004 0.000 2.607 215 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 215 T C 2.080 176.785 174.700 0.009 0.000 1.049 215 T CA 1.597 63.701 62.100 0.006 0.000 1.162 215 T CB -0.388 68.484 68.868 0.006 0.000 0.863 215 T HN 0.316 nan 8.240 nan 0.000 0.424 216 A N 1.010 123.835 122.820 0.010 0.000 1.908 216 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 216 A C 2.618 180.211 177.584 0.015 0.000 1.181 216 A CA 1.737 53.781 52.037 0.013 0.000 0.627 216 A CB -1.156 17.852 19.000 0.013 0.000 0.818 216 A HN 0.356 nan 8.150 nan 0.000 0.445 217 V N -0.149 119.771 119.914 0.011 0.000 2.220 217 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 217 V C 2.724 178.822 176.094 0.006 0.000 1.049 217 V CA 2.449 64.754 62.300 0.009 0.000 1.003 217 V CB -1.011 30.815 31.823 0.005 0.000 0.634 217 V HN 0.692 nan 8.190 nan 0.000 0.444 218 Q N 0.065 119.867 119.800 0.004 0.000 2.197 218 Q HA -0.263 4.077 4.340 -0.000 0.000 0.207 218 Q C 2.153 178.161 176.000 0.014 0.000 0.984 218 Q CA 1.965 57.770 55.803 0.003 0.000 0.869 218 Q CB -0.415 28.325 28.738 0.004 0.000 0.906 218 Q HN 0.755 nan 8.270 nan 0.000 0.426 219 Q N -1.050 118.761 119.800 0.018 0.000 2.119 219 Q HA -0.055 4.285 4.340 -0.000 0.000 0.201 219 Q C 2.040 178.062 176.000 0.037 0.000 0.972 219 Q CA 1.292 57.110 55.803 0.025 0.000 0.847 219 Q CB -0.231 28.520 28.738 0.022 0.000 0.903 219 Q HN 0.494 nan 8.270 nan 0.000 0.433 220 A N 0.463 123.306 122.820 0.038 0.000 1.898 220 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 220 A C 2.350 179.983 177.584 0.081 0.000 1.181 220 A CA 1.220 53.291 52.037 0.056 0.000 0.620 220 A CB -0.693 18.337 19.000 0.050 0.000 0.819 220 A HN 0.202 nan 8.150 nan 0.000 0.442 221 V N 1.014 120.954 119.914 0.045 0.000 2.332 221 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 221 V C 2.085 178.234 176.094 0.091 0.000 1.055 221 V CA 2.240 64.556 62.300 0.027 0.000 1.038 221 V CB -0.916 30.876 31.823 -0.051 0.000 0.651 221 V HN 0.513 nan 8.190 nan 0.000 0.450 222 D N 0.982 121.423 120.400 0.070 0.000 2.158 222 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 222 D C 1.947 178.311 176.300 0.108 0.000 0.995 222 D CA 1.820 55.867 54.000 0.077 0.000 0.846 222 D CB -0.309 40.522 40.800 0.052 0.000 0.941 222 D HN 0.554 nan 8.370 nan 0.000 0.456 223 G N -0.626 108.245 108.800 0.117 0.000 3.371 223 G HA2 0.076 4.036 3.960 -0.000 0.000 0.248 223 G HA3 0.076 4.036 3.960 -0.000 0.000 0.248 223 G C -0.229 174.761 174.900 0.150 0.000 1.161 223 G CA -0.657 44.507 45.100 0.107 0.000 0.796 223 G HN 0.121 nan 8.290 nan 0.000 0.539 224 W N 2.892 124.186 121.300 -0.011 0.000 2.238 224 W HA 0.488 5.148 4.660 -0.000 0.000 0.321 224 W C 0.220 176.726 176.519 -0.021 0.000 1.293 224 W CA -0.306 57.028 57.345 -0.019 0.000 1.204 224 W CB 1.142 30.587 29.460 -0.025 0.000 1.167 224 W HN 0.007 nan 8.180 nan 0.000 0.553 225 T N 3.423 117.548 114.554 -0.715 0.000 2.809 225 T HA 0.139 4.489 4.350 -0.000 0.000 0.284 225 T C 0.592 174.489 174.700 -1.338 0.000 0.992 225 T CA -0.768 60.890 62.100 -0.736 0.000 0.957 225 T CB 1.777 70.409 68.868 -0.392 0.000 0.942 225 T HN 0.669 nan 8.240 nan 0.000 0.439 226 E N 3.076 122.579 120.200 -1.161 0.000 2.038 226 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 226 E C 1.571 177.885 176.600 -0.476 0.000 1.000 226 E CA 1.601 57.467 56.400 -0.891 0.000 0.803 226 E CB -0.116 29.475 29.700 -0.182 0.000 0.750 226 E HN 0.795 nan 8.360 nan 0.000 0.448 227 K N 0.306 120.529 120.400 -0.296 0.000 2.107 227 K HA -0.219 4.101 4.320 -0.000 0.000 0.211 227 K C 1.586 178.081 176.600 -0.175 0.000 1.049 227 K CA 2.004 58.191 56.287 -0.168 0.000 0.927 227 K CB -0.336 32.097 32.500 -0.112 0.000 0.714 227 K HN 0.239 nan 8.250 nan 0.000 0.452 228 N N -0.694 117.851 118.700 -0.258 0.000 2.230 228 N HA 0.122 4.862 4.740 -0.000 0.000 0.202 228 N C -0.216 175.147 175.510 -0.244 0.000 1.119 228 N CA -0.039 52.885 53.050 -0.209 0.000 0.851 228 N CB 0.476 38.851 38.487 -0.187 0.000 0.990 228 N HN 0.042 nan 8.380 nan 0.000 0.497 229 A N 1.533 124.154 122.820 -0.332 0.000 2.351 229 A HA 0.452 4.772 4.320 -0.000 0.000 0.257 229 A C -2.140 175.298 177.584 -0.244 0.000 1.087 229 A CA -1.137 50.762 52.037 -0.230 0.000 0.798 229 A CB 0.109 19.051 19.000 -0.096 0.000 1.033 229 A HN 0.226 nan 8.150 nan 0.000 0.488 230 P HA 0.181 nan 4.420 nan 0.000 0.276 230 P C -1.138 175.936 177.300 -0.377 0.000 1.252 230 P CA -0.352 62.581 63.100 -0.278 0.000 0.802 230 P CB 0.520 32.048 31.700 -0.287 0.000 1.035 231 W N 0.422 121.621 121.300 -0.168 0.000 2.376 231 W HA 0.356 5.016 4.660 0.000 0.000 0.322 231 W C -0.007 176.375 176.519 -0.228 0.000 1.160 231 W CA 0.130 57.440 57.345 -0.058 0.000 1.218 231 W CB 0.455 30.036 29.460 0.201 0.000 1.205 231 W HN 0.296 nan 8.180 nan 0.000 0.559 232 Y N 1.172 121.480 120.300 0.014 0.000 2.457 232 Y HA 0.616 5.166 4.550 -0.000 0.000 0.333 232 Y C -0.059 175.770 175.900 -0.118 0.000 1.119 232 Y CA -1.139 56.807 58.100 -0.257 0.000 1.143 232 Y CB 1.395 39.213 38.460 -1.071 0.000 1.230 232 Y HN -0.044 nan 8.280 nan 0.000 0.469 233 V N 2.006 122.076 119.914 0.261 0.000 2.577 233 V HA 0.720 4.840 4.120 -0.000 0.000 0.303 233 V C -0.709 175.642 176.094 0.429 0.000 1.042 233 V CA -1.087 61.384 62.300 0.284 0.000 0.872 233 V CB 1.467 33.332 31.823 0.069 0.000 0.998 233 V HN 0.845 nan 8.190 nan 0.000 0.423 234 A N 4.851 127.971 122.820 0.500 0.000 2.258 234 A HA 0.829 5.149 4.320 -0.000 0.000 0.316 234 A C -0.598 177.217 177.584 0.385 0.000 1.279 234 A CA -0.469 51.845 52.037 0.462 0.000 0.876 234 A CB 1.016 20.293 19.000 0.462 0.000 1.170 234 A HN 0.686 nan 8.150 nan 0.000 0.520 235 V N 2.360 122.517 119.914 0.405 0.000 2.472 235 V HA 0.479 4.599 4.120 -0.000 0.000 0.290 235 V C 0.470 176.788 176.094 0.373 0.000 1.037 235 V CA -0.387 62.052 62.300 0.232 0.000 0.908 235 V CB 1.778 33.543 31.823 -0.096 0.000 0.985 235 V HN 0.888 nan 8.190 nan 0.000 0.454 236 S N 2.119 117.980 115.700 0.270 0.000 2.565 236 S HA 0.925 5.395 4.470 -0.000 0.000 0.290 236 S C 0.540 175.354 174.600 0.356 0.000 1.150 236 S CA 0.276 58.651 58.200 0.291 0.000 1.058 236 S CB 1.751 65.081 63.200 0.217 0.000 1.032 236 S HN 1.275 nan 8.310 nan 0.000 0.510 237 G N 0.449 109.417 108.800 0.281 0.000 2.609 237 G HA2 0.602 4.562 3.960 -0.000 0.000 0.082 237 G HA3 0.602 4.562 3.960 -0.000 0.000 0.082 237 G C -0.361 174.550 174.900 0.018 0.000 1.075 237 G CA 0.165 45.432 45.100 0.279 0.000 1.172 237 G HN 1.267 nan 8.290 nan 0.000 0.532 238 G N -2.103 106.739 108.800 0.070 0.000 2.321 238 G HA2 0.595 4.555 3.960 -0.000 0.000 0.296 238 G HA3 0.595 4.555 3.960 -0.000 0.000 0.296 238 G C -2.160 172.746 174.900 0.010 0.000 1.287 238 G CA 0.414 45.427 45.100 -0.146 0.000 0.846 238 G HN 1.468 nan 8.290 nan 0.000 0.508 239 V N 1.084 120.947 119.914 -0.084 0.000 2.577 239 V HA 0.425 4.545 4.120 -0.000 0.000 0.303 239 V C -0.365 175.702 176.094 -0.045 0.000 1.042 239 V CA -1.025 61.263 62.300 -0.021 0.000 0.872 239 V CB 1.556 33.393 31.823 0.024 0.000 0.998 239 V HN 0.757 nan 8.190 nan 0.000 0.423 240 H N 3.167 122.247 119.070 0.017 0.000 3.094 240 H HA 0.108 4.664 4.556 0.000 0.000 0.320 240 H C 1.437 176.786 175.328 0.035 0.000 1.000 240 H CA 1.872 57.952 56.048 0.053 0.000 1.413 240 H CB 0.731 30.523 29.762 0.050 0.000 1.405 240 H HN 1.127 nan 8.280 nan 0.000 0.586 241 G N 2.627 111.520 108.800 0.155 0.000 2.168 241 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.263 241 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.263 241 G C 0.791 175.712 174.900 0.034 0.000 0.977 241 G CA 0.646 45.804 45.100 0.098 0.000 0.659 241 G HN 0.521 nan 8.290 nan 0.000 0.533 242 V N -1.166 118.745 119.914 -0.005 0.000 3.103 242 V HA 0.722 4.842 4.120 -0.000 0.000 0.229 242 V C 1.322 177.339 176.094 -0.127 0.000 1.304 242 V CA 1.376 63.645 62.300 -0.053 0.000 1.298 242 V CB 0.545 32.341 31.823 -0.045 0.000 1.093 242 V HN 1.977 nan 8.190 nan 0.000 0.489 243 G N 0.864 109.558 108.800 -0.176 0.000 2.347 243 G HA2 0.193 4.153 3.960 -0.000 0.000 0.321 243 G HA3 0.193 4.153 3.960 -0.000 0.000 0.321 243 G C -3.361 171.275 174.900 -0.442 0.000 1.412 243 G CA -0.472 44.443 45.100 -0.307 0.000 0.990 243 G HN 0.072 nan 8.290 nan 0.000 0.637 244 P HA 0.495 nan 4.420 nan 0.000 0.269 244 P C -0.027 176.538 177.300 -1.224 0.000 1.215 244 P CA 0.835 63.316 63.100 -1.032 0.000 0.780 244 P CB 1.619 32.396 31.700 -1.538 0.000 0.898 245 A N 1.717 123.933 122.820 -1.006 0.000 2.586 245 A HA 0.477 4.797 4.320 -0.000 0.000 0.290 245 A C -1.546 175.784 177.584 -0.423 0.000 1.086 245 A CA -0.603 50.999 52.037 -0.725 0.000 0.665 245 A CB 1.229 19.861 19.000 -0.613 0.000 1.279 245 A HN 0.514 nan 8.150 nan 0.000 0.423 246 Q N 0.143 119.826 119.800 -0.195 0.000 2.330 246 Q HA 0.575 4.915 4.340 -0.000 0.000 0.269 246 Q C -1.810 174.257 176.000 0.113 0.000 1.022 246 Q CA -0.283 55.583 55.803 0.105 0.000 0.796 246 Q CB 1.952 31.032 28.738 0.571 0.000 1.271 246 Q HN 0.539 nan 8.270 nan 0.000 0.450 247 F N 2.204 122.479 119.950 0.541 0.000 2.405 247 F HA 0.334 4.861 4.527 0.000 0.000 0.355 247 F C -0.136 175.983 175.800 0.532 0.000 1.121 247 F CA -0.803 57.566 58.000 0.614 0.000 1.112 247 F CB 0.555 40.042 39.000 0.811 0.000 1.126 247 F HN 0.303 nan 8.300 nan 0.000 0.481 248 L N 5.065 126.543 121.223 0.426 0.000 2.309 248 L HA 0.576 4.916 4.340 -0.000 0.000 0.282 248 L C -1.344 175.574 176.870 0.080 0.000 1.036 248 L CA -0.737 54.221 54.840 0.197 0.000 0.806 248 L CB 0.640 42.635 42.059 -0.106 0.000 1.220 248 L HN 0.512 nan 8.230 nan 0.000 0.429 249 Y N 3.320 123.831 120.300 0.352 0.000 2.638 249 Y HA 0.793 5.343 4.550 -0.000 0.000 0.339 249 Y C -0.413 175.696 175.900 0.348 0.000 1.084 249 Y CA -1.050 57.288 58.100 0.397 0.000 1.068 249 Y CB 1.833 40.562 38.460 0.448 0.000 1.294 249 Y HN 0.590 nan 8.280 nan 0.000 0.480 250 R N -0.251 120.548 120.500 0.498 0.000 2.663 250 R HA 0.370 4.710 4.340 -0.000 0.000 0.267 250 R C -1.937 174.433 176.300 0.117 0.000 1.038 250 R CA -1.111 55.111 56.100 0.203 0.000 0.886 250 R CB 1.168 31.323 30.300 -0.242 0.000 1.249 250 R HN 0.668 nan 8.270 nan 0.000 0.463 251 Q N 1.943 121.630 119.800 -0.188 0.000 2.398 251 Q HA -0.099 4.241 4.340 -0.000 0.000 0.329 251 Q C -0.308 175.497 176.000 -0.326 0.000 1.079 251 Q CA 0.453 55.886 55.803 -0.617 0.000 1.041 251 Q CB 0.210 28.578 28.738 -0.617 0.000 1.084 251 Q HN 0.440 nan 8.270 nan 0.000 0.386 252 N N 1.355 119.882 118.700 -0.288 0.000 2.292 252 N HA -0.073 4.667 4.740 -0.000 0.000 0.258 252 N C 0.868 176.306 175.510 -0.120 0.000 1.261 252 N CA 1.660 54.643 53.050 -0.112 0.000 0.845 252 N CB 0.207 38.666 38.487 -0.047 0.000 1.064 252 N HN 0.773 nan 8.380 nan 0.000 0.471 253 G N 2.231 110.991 108.800 -0.067 0.000 2.166 253 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 253 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 253 G C 0.892 175.743 174.900 -0.082 0.000 0.986 253 G CA 0.735 45.798 45.100 -0.062 0.000 0.683 253 G HN 1.762 nan 8.290 nan 0.000 0.527 254 G N -1.000 107.728 108.800 -0.120 0.000 2.160 254 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.251 254 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.251 254 G C 0.102 174.906 174.900 -0.160 0.000 1.008 254 G CA 0.792 45.806 45.100 -0.142 0.000 0.724 254 G HN 1.442 nan 8.290 nan 0.000 0.514 255 N N 0.688 119.273 118.700 -0.193 0.000 2.415 255 N HA 0.519 5.259 4.740 -0.000 0.000 0.246 255 N C 1.517 176.858 175.510 -0.281 0.000 1.078 255 N CA 0.507 53.435 53.050 -0.203 0.000 0.942 255 N CB 0.824 39.196 38.487 -0.191 0.000 1.140 255 N HN 0.472 nan 8.380 nan 0.000 0.501 256 A N 2.755 125.439 122.820 -0.227 0.000 2.139 256 A HA -0.110 4.210 4.320 -0.000 0.000 0.221 256 A C 1.719 179.096 177.584 -0.345 0.000 1.159 256 A CA 1.382 53.288 52.037 -0.218 0.000 0.662 256 A CB -0.055 18.870 19.000 -0.125 0.000 0.796 256 A HN 0.614 nan 8.150 nan 0.000 0.463 257 S N -1.017 114.462 115.700 -0.368 0.000 2.540 257 S HA 0.120 4.590 4.470 -0.000 0.000 0.218 257 S C 0.419 174.629 174.600 -0.649 0.000 0.977 257 S CA -0.101 57.850 58.200 -0.415 0.000 0.918 257 S CB 0.116 63.224 63.200 -0.154 0.000 0.806 257 S HN 0.600 nan 8.310 nan 0.000 0.496 258 E N 0.837 120.613 120.200 -0.706 0.000 2.052 258 E HA 0.300 4.650 4.350 -0.000 0.000 0.283 258 E C -0.429 175.613 176.600 -0.930 0.000 1.071 258 E CA -0.195 55.834 56.400 -0.617 0.000 0.851 258 E CB 0.003 29.440 29.700 -0.439 0.000 1.066 258 E HN 0.170 nan 8.360 nan 0.000 0.396 259 F N 2.529 122.317 119.950 -0.269 0.000 2.706 259 F HA 0.193 4.720 4.527 -0.000 0.000 0.308 259 F C 1.791 177.562 175.800 -0.048 0.000 1.095 259 F CA -0.232 57.674 58.000 -0.156 0.000 1.244 259 F CB 0.278 39.297 39.000 0.033 0.000 1.063 259 F HN 0.435 nan 8.300 nan 0.000 0.582 260 Q N -0.047 119.676 119.800 -0.127 0.000 2.089 260 Q HA 0.036 4.376 4.340 -0.000 0.000 0.195 260 Q C -0.481 175.238 176.000 -0.468 0.000 0.963 260 Q CA 1.445 57.065 55.803 -0.306 0.000 0.834 260 Q CB -0.019 28.367 28.738 -0.587 0.000 0.906 260 Q HN 0.315 nan 8.270 nan 0.000 0.452 261 Y N -0.865 119.342 120.300 -0.155 0.000 2.341 261 Y HA 0.410 4.960 4.550 -0.000 0.000 0.337 261 Y C -1.171 174.510 175.900 -0.366 0.000 1.014 261 Y CA -0.986 57.055 58.100 -0.099 0.000 1.111 261 Y CB 0.864 39.288 38.460 -0.061 0.000 1.194 261 Y HN 0.018 nan 8.280 nan 0.000 0.462 262 W N 3.061 124.502 121.300 0.235 0.000 2.424 262 W HA 0.402 5.062 4.660 -0.000 0.000 0.318 262 W C -0.307 176.423 176.519 0.351 0.000 1.016 262 W CA -1.126 56.360 57.345 0.235 0.000 1.268 262 W CB 0.956 30.525 29.460 0.182 0.000 1.297 262 W HN 0.488 nan 8.180 nan 0.000 0.428 263 E N 2.505 122.944 120.200 0.398 0.000 2.338 263 E HA 0.074 4.424 4.350 -0.000 0.000 0.272 263 E C -1.051 175.808 176.600 0.432 0.000 1.029 263 E CA -0.671 55.940 56.400 0.351 0.000 0.872 263 E CB 1.023 30.828 29.700 0.176 0.000 1.015 263 E HN 0.428 nan 8.360 nan 0.000 0.417 264 Y N 4.485 124.903 120.300 0.197 0.000 2.393 264 Y HA 0.163 4.713 4.550 0.000 0.000 0.338 264 Y C 0.066 175.943 175.900 -0.038 0.000 1.029 264 Y CA -0.673 57.359 58.100 -0.112 0.000 1.239 264 Y CB 0.696 39.112 38.460 -0.073 0.000 1.170 264 Y HN 0.651 nan 8.280 nan 0.000 0.515 265 L N 5.824 126.781 121.223 -0.445 0.000 2.640 265 L HA 0.364 4.704 4.340 -0.000 0.000 0.230 265 L C 1.063 177.628 176.870 -0.508 0.000 1.123 265 L CA 0.387 55.039 54.840 -0.314 0.000 0.900 265 L CB -0.618 41.410 42.059 -0.053 0.000 1.146 265 L HN 0.998 nan 8.230 nan 0.000 0.484 266 G N 0.812 108.830 108.800 -1.303 0.000 2.631 266 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.504 266 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.504 266 G C -0.482 174.344 174.900 -0.123 0.000 1.306 266 G CA -0.802 43.797 45.100 -0.836 0.000 0.897 266 G HN 0.223 nan 8.290 nan 0.000 0.520 267 E N 1.373 121.673 120.200 0.167 0.000 1.892 267 E HA 0.115 4.465 4.350 -0.000 0.000 0.271 267 E C 1.381 178.144 176.600 0.272 0.000 1.146 267 E CA -0.283 56.266 56.400 0.248 0.000 1.096 267 E CB -0.037 29.756 29.700 0.156 0.000 1.155 267 E HN 0.570 nan 8.360 nan 0.000 0.458 268 W N 3.057 124.416 121.300 0.099 0.000 2.424 268 W HA -0.131 4.529 4.660 -0.000 0.000 0.264 268 W C -0.463 176.215 176.519 0.265 0.000 1.229 268 W CA 0.244 57.675 57.345 0.144 0.000 1.208 268 W CB -0.275 29.277 29.460 0.152 0.000 1.127 268 W HN 0.392 nan 8.180 nan 0.000 0.588 269 W N 3.538 124.691 121.300 -0.245 0.000 3.216 269 W HA 0.369 5.029 4.660 0.000 0.000 0.335 269 W C -1.406 174.984 176.519 -0.215 0.000 1.077 269 W CA -1.707 55.416 57.345 -0.371 0.000 1.252 269 W CB 0.030 29.112 29.460 -0.631 0.000 1.312 269 W HN 0.101 nan 8.180 nan 0.000 0.446 270 Q N 3.621 123.265 119.800 -0.260 0.000 2.379 270 Q HA 0.754 5.094 4.340 -0.000 0.000 0.278 270 Q C -1.110 174.570 176.000 -0.534 0.000 1.068 270 Q CA -0.981 54.526 55.803 -0.493 0.000 0.816 270 Q CB 3.458 32.029 28.738 -0.278 0.000 1.387 270 Q HN 0.274 nan 8.270 nan 0.000 0.413 271 E N 0.759 120.553 120.200 -0.677 0.000 2.317 271 E HA 0.546 4.896 4.350 -0.000 0.000 0.270 271 E C -1.048 175.329 176.600 -0.371 0.000 0.885 271 E CA -0.820 55.268 56.400 -0.520 0.000 0.760 271 E CB 2.282 31.501 29.700 -0.802 0.000 1.227 271 E HN 0.798 nan 8.360 nan 0.000 0.434 272 A N 1.686 124.383 122.820 -0.205 0.000 2.483 272 A HA 0.208 4.528 4.320 -0.000 0.000 0.238 272 A C 0.245 177.701 177.584 -0.213 0.000 1.070 272 A CA 0.015 51.948 52.037 -0.173 0.000 0.770 272 A CB -0.277 18.662 19.000 -0.101 0.000 1.008 272 A HN 0.513 nan 8.150 nan 0.000 0.497 273 T N 2.913 117.326 114.554 -0.236 0.000 2.765 273 T HA -0.011 4.339 4.350 -0.000 0.000 0.275 273 T C 1.049 175.491 174.700 -0.430 0.000 1.007 273 T CA 1.588 63.485 62.100 -0.338 0.000 1.175 273 T CB -0.497 68.250 68.868 -0.202 0.000 0.993 273 T HN 1.011 nan 8.240 nan 0.000 0.510 274 N N 1.320 119.615 118.700 -0.676 0.000 2.693 274 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 274 N C 0.406 175.742 175.510 -0.290 0.000 1.119 274 N CA 0.982 53.639 53.050 -0.656 0.000 0.717 274 N CB -1.068 36.872 38.487 -0.911 0.000 1.071 274 N HN 0.832 nan 8.380 nan 0.000 0.555 275 S N -1.717 113.904 115.700 -0.131 0.000 2.625 275 S HA 0.755 5.225 4.470 -0.000 0.000 0.262 275 S C 0.403 174.984 174.600 -0.031 0.000 1.223 275 S CA 0.140 58.332 58.200 -0.013 0.000 0.993 275 S CB 1.693 64.952 63.200 0.098 0.000 1.051 275 S HN 0.993 nan 8.310 nan 0.000 0.562 276 S N -1.301 114.355 115.700 -0.073 0.000 2.587 276 S HA 0.362 4.832 4.470 -0.000 0.000 0.269 276 S C -1.410 173.041 174.600 -0.247 0.000 1.154 276 S CA -0.981 56.953 58.200 -0.443 0.000 0.824 276 S CB 0.452 63.451 63.200 -0.335 0.000 1.118 276 S HN 0.971 nan 8.310 nan 0.000 0.462 277 W N 2.688 123.607 121.300 -0.635 0.000 2.368 277 W HA 0.453 5.113 4.660 -0.000 0.000 0.316 277 W C 0.535 176.966 176.519 -0.146 0.000 1.375 277 W CA 1.699 58.895 57.345 -0.247 0.000 1.261 277 W CB 0.042 29.294 29.460 -0.346 0.000 1.298 277 W HN 1.669 nan 8.180 nan 0.000 0.539 278 G N 4.934 113.281 108.800 -0.755 0.000 2.730 278 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.686 278 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.686 278 G C 0.312 175.057 174.900 -0.258 0.000 1.343 278 G CA -0.210 44.577 45.100 -0.523 0.000 0.826 278 G HN 0.543 nan 8.290 nan 0.000 0.582 279 D N 0.456 120.747 120.400 -0.182 0.000 2.144 279 D HA -0.034 4.606 4.640 -0.000 0.000 0.200 279 D C 1.835 178.089 176.300 -0.076 0.000 0.978 279 D CA 1.774 55.706 54.000 -0.114 0.000 0.833 279 D CB 0.208 40.956 40.800 -0.086 0.000 0.961 279 D HN 0.738 nan 8.370 nan 0.000 0.470 280 E N -0.460 119.709 120.200 -0.052 0.000 2.624 280 E HA 0.316 4.666 4.350 -0.000 0.000 0.210 280 E C 0.559 177.133 176.600 -0.044 0.000 0.997 280 E CA -0.140 56.236 56.400 -0.040 0.000 0.999 280 E CB 1.053 30.741 29.700 -0.021 0.000 1.040 280 E HN 0.108 nan 8.360 nan 0.000 0.469 281 G N 2.024 110.789 108.800 -0.058 0.000 2.323 281 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.292 281 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.292 281 G C 0.732 175.622 174.900 -0.016 0.000 1.040 281 G CA 0.950 46.014 45.100 -0.060 0.000 0.942 281 G HN 0.290 nan 8.290 nan 0.000 0.506 282 T N -1.564 112.986 114.554 -0.007 0.000 2.983 282 T HA 0.063 4.413 4.350 -0.000 0.000 0.250 282 T C 1.811 176.392 174.700 -0.198 0.000 1.037 282 T CA 1.632 63.646 62.100 -0.143 0.000 1.142 282 T CB -0.038 68.682 68.868 -0.247 0.000 0.876 282 T HN 0.532 nan 8.240 nan 0.000 0.455 283 W N 1.163 122.606 121.300 0.239 0.000 3.013 283 W HA 0.635 5.295 4.660 0.000 0.000 0.280 283 W C 1.284 177.968 176.519 0.275 0.000 1.249 283 W CA -0.231 57.334 57.345 0.366 0.000 1.577 283 W CB 0.561 30.172 29.460 0.251 0.000 1.057 283 W HN 0.118 nan 8.180 nan 0.000 0.613 284 A N 0.004 122.961 122.820 0.229 0.000 3.045 284 A HA 0.635 4.955 4.320 -0.000 0.000 0.244 284 A C 1.011 178.330 177.584 -0.442 0.000 0.917 284 A CA 0.177 52.062 52.037 -0.254 0.000 1.075 284 A CB -0.795 17.957 19.000 -0.414 0.000 1.202 284 A HN 0.319 nan 8.150 nan 0.000 0.486 285 G N 1.215 109.990 108.800 -0.042 0.000 2.661 285 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.327 285 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.327 285 G C 0.138 174.877 174.900 -0.267 0.000 1.320 285 G CA 0.802 45.873 45.100 -0.048 0.000 0.997 285 G HN 0.899 nan 8.290 nan 0.000 0.543 286 R N -1.652 118.660 120.500 -0.313 0.000 2.808 286 R HA 0.415 4.755 4.340 -0.000 0.000 0.272 286 R C 0.588 176.682 176.300 -0.345 0.000 0.995 286 R CA -0.601 55.268 56.100 -0.386 0.000 0.917 286 R CB 1.214 31.380 30.300 -0.224 0.000 1.217 286 R HN 0.579 nan 8.270 nan 0.000 0.471 287 W N 0.983 122.224 121.300 -0.099 0.000 2.519 287 W HA 0.037 4.697 4.660 -0.000 0.000 0.266 287 W C 1.351 177.784 176.519 -0.145 0.000 1.253 287 W CA 0.756 58.084 57.345 -0.028 0.000 1.274 287 W CB 0.056 29.481 29.460 -0.058 0.000 1.114 287 W HN 1.005 nan 8.180 nan 0.000 0.596 288 G N 0.767 109.481 108.800 -0.143 0.000 2.569 288 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.259 288 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.259 288 G C -0.109 174.351 174.900 -0.733 0.000 1.263 288 G CA 0.429 45.283 45.100 -0.410 0.000 0.928 288 G HN 0.198 nan 8.290 nan 0.000 0.572 289 F N 1.061 120.632 119.950 -0.630 0.000 2.731 289 F HA 0.430 4.957 4.527 0.000 0.000 0.298 289 F C 1.086 176.445 175.800 -0.735 0.000 1.106 289 F CA 0.626 58.108 58.000 -0.862 0.000 1.329 289 F CB 0.557 38.497 39.000 -1.768 0.000 1.100 289 F HN 0.567 nan 8.300 nan 0.000 0.592 290 N N -1.130 117.314 118.700 -0.426 0.000 2.555 290 N HA 0.283 5.023 4.740 -0.000 0.000 0.265 290 N C -1.803 173.724 175.510 0.028 0.000 1.135 290 N CA -0.441 52.467 53.050 -0.237 0.000 0.925 290 N CB 1.096 39.507 38.487 -0.127 0.000 1.662 290 N HN -0.293 nan 8.380 nan 0.000 0.489 291 F N 1.241 121.119 119.950 -0.121 0.000 2.421 291 F HA 0.521 5.048 4.527 0.000 0.000 0.337 291 F C 0.579 176.378 175.800 -0.002 0.000 1.105 291 F CA -0.505 57.434 58.000 -0.101 0.000 1.049 291 F CB 1.232 40.112 39.000 -0.201 0.000 1.139 291 F HN 0.381 nan 8.300 nan 0.000 0.479 292 E N -0.374 119.932 120.200 0.177 0.000 2.369 292 E HA 0.312 4.662 4.350 -0.000 0.000 0.270 292 E C -0.596 176.002 176.600 -0.003 0.000 0.909 292 E CA -0.866 55.602 56.400 0.113 0.000 0.775 292 E CB 1.984 31.777 29.700 0.156 0.000 1.270 292 E HN 0.637 nan 8.360 nan 0.000 0.445 293 T N -1.070 113.496 114.554 0.020 0.000 3.290 293 T HA -0.197 4.153 4.350 -0.000 0.000 0.422 293 T C 0.290 174.967 174.700 -0.038 0.000 0.771 293 T CA 0.275 62.375 62.100 0.001 0.000 2.100 293 T CB -1.928 66.909 68.868 -0.051 0.000 1.676 293 T HN 0.664 nan 8.240 nan 0.000 0.613 294 G N 1.393 110.190 108.800 -0.004 0.000 2.432 294 G HA2 0.537 4.497 3.960 -0.000 0.000 0.257 294 G HA3 0.537 4.497 3.960 -0.000 0.000 0.257 294 G C -0.200 174.548 174.900 -0.254 0.000 1.238 294 G CA -0.746 44.310 45.100 -0.074 0.000 0.838 294 G HN 0.656 nan 8.290 nan 0.000 0.547 295 N N -0.324 118.094 118.700 -0.470 0.000 2.269 295 N HA 0.549 5.289 4.740 -0.000 0.000 0.304 295 N C -0.803 174.230 175.510 -0.796 0.000 1.072 295 N CA -0.476 51.896 53.050 -1.129 0.000 0.802 295 N CB 2.423 40.487 38.487 -0.704 0.000 1.348 295 N HN 0.240 nan 8.380 nan 0.000 0.484 296 V N 2.488 121.899 119.914 -0.838 0.000 2.448 296 V HA 0.582 4.702 4.120 -0.000 0.000 0.295 296 V C -0.698 175.079 176.094 -0.529 0.000 1.025 296 V CA -0.694 61.195 62.300 -0.686 0.000 0.859 296 V CB 1.134 32.272 31.823 -1.142 0.000 0.988 296 V HN 0.387 nan 8.190 nan 0.000 0.431 297 L N 4.264 125.061 121.223 -0.709 0.000 2.309 297 L HA 0.707 5.047 4.340 -0.000 0.000 0.261 297 L C -0.932 175.367 176.870 -0.951 0.000 1.021 297 L CA -0.594 53.886 54.840 -0.600 0.000 0.823 297 L CB 1.628 43.235 42.059 -0.754 0.000 1.366 297 L HN 0.447 nan 8.230 nan 0.000 0.423 298 F N 1.929 121.620 119.950 -0.431 0.000 2.771 298 F HA 0.581 5.108 4.527 -0.000 0.000 0.365 298 F C -0.759 174.730 175.800 -0.519 0.000 1.169 298 F CA -0.447 57.323 58.000 -0.383 0.000 1.093 298 F CB 1.069 39.868 39.000 -0.335 0.000 1.363 298 F HN 0.056 nan 8.300 nan 0.000 0.496 299 L N 2.169 123.273 121.223 -0.198 0.000 2.344 299 L HA 0.810 5.150 4.340 -0.000 0.000 0.272 299 L C 0.550 177.373 176.870 -0.078 0.000 1.035 299 L CA -0.420 54.279 54.840 -0.235 0.000 0.807 299 L CB 1.786 43.511 42.059 -0.557 0.000 1.237 299 L HN 0.633 nan 8.230 nan 0.000 0.442 300 T N -3.321 111.190 114.554 -0.070 0.000 2.773 300 T HA 0.423 4.773 4.350 -0.000 0.000 0.278 300 T C 0.481 175.161 174.700 -0.034 0.000 1.011 300 T CA -0.662 61.428 62.100 -0.016 0.000 1.014 300 T CB 0.997 69.870 68.868 0.008 0.000 1.293 300 T HN 0.550 nan 8.240 nan 0.000 0.554 301 E N -0.099 120.095 120.200 -0.009 0.000 2.511 301 E HA 0.047 4.397 4.350 -0.000 0.000 0.196 301 E C 0.602 177.193 176.600 -0.015 0.000 1.066 301 E CA 0.418 56.810 56.400 -0.014 0.000 0.871 301 E CB 0.131 29.832 29.700 0.002 0.000 0.863 301 E HN 0.574 nan 8.360 nan 0.000 0.520 302 E N -1.192 119.004 120.200 -0.008 0.000 2.441 302 E HA 0.213 4.563 4.350 -0.000 0.000 0.212 302 E C 0.672 177.276 176.600 0.006 0.000 0.840 302 E CA 0.491 56.891 56.400 0.000 0.000 1.143 302 E CB 1.446 31.154 29.700 0.013 0.000 1.153 302 E HN 0.183 nan 8.360 nan 0.000 0.539 303 G N -0.827 107.981 108.800 0.013 0.000 2.609 303 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.082 303 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.082 303 G C -1.495 173.461 174.900 0.094 0.000 1.075 303 G CA -0.658 44.474 45.100 0.052 0.000 1.172 303 G HN 0.094 nan 8.290 nan 0.000 0.532 304 H N 1.338 120.457 119.070 0.083 0.000 2.495 304 H HA 0.683 5.239 4.556 -0.000 0.000 0.348 304 H C -1.819 173.598 175.328 0.148 0.000 1.113 304 H CA -0.103 56.027 56.048 0.136 0.000 1.195 304 H CB 2.195 32.096 29.762 0.231 0.000 1.521 304 H HN 0.469 nan 8.280 nan 0.000 0.509 305 D N 6.215 126.639 120.400 0.040 0.000 2.591 305 D HA 0.092 4.732 4.640 -0.000 0.000 0.222 305 D C -2.359 173.958 176.300 0.027 0.000 1.360 305 D CA -1.286 52.799 54.000 0.142 0.000 0.967 305 D CB 2.572 43.426 40.800 0.090 0.000 1.456 305 D HN 0.281 nan 8.370 nan 0.000 0.588 306 P HA -0.056 nan 4.420 nan 0.000 0.237 306 P C 0.882 177.840 177.300 -0.571 0.000 1.178 306 P CA 0.662 63.556 63.100 -0.344 0.000 0.766 306 P CB 0.815 32.419 31.700 -0.161 0.000 0.876 307 Q N 0.605 120.251 119.800 -0.256 0.000 2.387 307 Q HA -0.008 4.332 4.340 -0.000 0.000 0.208 307 Q C 1.756 177.672 176.000 -0.140 0.000 0.935 307 Q CA 1.543 57.187 55.803 -0.266 0.000 0.891 307 Q CB 0.045 28.819 28.738 0.060 0.000 1.007 307 Q HN 0.177 nan 8.270 nan 0.000 0.548 308 T N -2.781 111.750 114.554 -0.038 0.000 3.040 308 T HA 0.330 4.680 4.350 -0.000 0.000 0.250 308 T C 0.773 175.485 174.700 0.021 0.000 1.058 308 T CA 0.107 62.205 62.100 -0.002 0.000 0.988 308 T CB 0.542 69.425 68.868 0.025 0.000 0.993 308 T HN 0.238 nan 8.240 nan 0.000 0.519 309 G N 1.152 109.970 108.800 0.030 0.000 2.503 309 G HA2 0.435 4.395 3.960 -0.000 0.000 0.257 309 G HA3 0.435 4.395 3.960 -0.000 0.000 0.257 309 G C -0.607 174.388 174.900 0.157 0.000 1.214 309 G CA -0.636 44.506 45.100 0.070 0.000 0.839 309 G HN 0.559 nan 8.290 nan 0.000 0.559 310 E N 0.545 120.841 120.200 0.159 0.000 2.343 310 E HA 0.291 4.641 4.350 -0.000 0.000 0.269 310 E C -0.153 176.546 176.600 0.165 0.000 1.047 310 E CA -0.754 55.749 56.400 0.173 0.000 0.874 310 E CB 1.074 30.886 29.700 0.186 0.000 1.033 310 E HN 0.164 nan 8.360 nan 0.000 0.409 311 V N 5.099 125.023 119.914 0.017 0.000 2.521 311 V HA 0.133 4.253 4.120 -0.000 0.000 0.286 311 V C -0.251 175.694 176.094 -0.249 0.000 1.034 311 V CA 0.526 62.677 62.300 -0.247 0.000 1.045 311 V CB -0.655 31.094 31.823 -0.123 0.000 0.974 311 V HN 0.517 nan 8.190 nan 0.000 0.480 312 F N 2.994 122.638 119.950 -0.510 0.000 2.588 312 F HA 0.767 5.294 4.527 -0.000 0.000 0.314 312 F C -0.232 175.232 175.800 -0.560 0.000 1.069 312 F CA -0.867 56.906 58.000 -0.379 0.000 0.931 312 F CB 2.460 41.265 39.000 -0.325 0.000 1.260 312 F HN 0.169 nan 8.300 nan 0.000 0.465 313 V N 1.017 120.761 119.914 -0.285 0.000 2.733 313 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 313 V C -0.587 175.429 176.094 -0.130 0.000 1.084 313 V CA -0.863 61.211 62.300 -0.376 0.000 0.905 313 V CB 2.114 33.548 31.823 -0.649 0.000 1.010 313 V HN 0.827 nan 8.190 nan 0.000 0.424 314 T N 3.287 117.761 114.554 -0.134 0.000 2.925 314 T HA 0.952 5.302 4.350 -0.000 0.000 0.285 314 T C -0.683 173.958 174.700 -0.097 0.000 1.021 314 T CA -0.669 61.415 62.100 -0.026 0.000 1.042 314 T CB 1.847 70.722 68.868 0.012 0.000 1.037 314 T HN 1.078 nan 8.240 nan 0.000 0.481 315 L N -1.333 119.831 121.223 -0.098 0.000 2.794 315 L HA 0.886 5.226 4.340 -0.000 0.000 0.261 315 L C -0.470 176.285 176.870 -0.191 0.000 0.989 315 L CA -1.323 53.409 54.840 -0.179 0.000 0.900 315 L CB 1.287 43.163 42.059 -0.305 0.000 1.473 315 L HN 0.933 nan 8.230 nan 0.000 0.414 316 G N -0.018 108.637 108.800 -0.242 0.000 2.389 316 G HA2 0.662 4.622 3.960 -0.000 0.000 0.328 316 G HA3 0.662 4.622 3.960 -0.000 0.000 0.328 316 G C -0.592 174.358 174.900 0.084 0.000 1.133 316 G CA -0.053 44.915 45.100 -0.221 0.000 0.891 316 G HN 0.938 nan 8.290 nan 0.000 0.485 317 T N -0.896 113.816 114.554 0.263 0.000 2.861 317 T HA 0.567 4.917 4.350 -0.000 0.000 0.287 317 T C -0.561 174.212 174.700 0.121 0.000 1.003 317 T CA -0.785 61.440 62.100 0.207 0.000 0.977 317 T CB 2.281 71.243 68.868 0.156 0.000 0.996 317 T HN 0.427 nan 8.240 nan 0.000 0.448 318 E N 1.612 121.821 120.200 0.016 0.000 2.167 318 E HA 0.544 4.894 4.350 -0.000 0.000 0.284 318 E C 0.257 176.775 176.600 -0.136 0.000 1.016 318 E CA -0.805 55.503 56.400 -0.154 0.000 0.817 318 E CB 1.361 31.002 29.700 -0.100 0.000 1.080 318 E HN 0.865 nan 8.360 nan 0.000 0.397 319 G N 1.085 109.830 108.800 -0.090 0.000 2.685 319 G HA2 0.592 4.552 3.960 -0.000 0.000 0.298 319 G HA3 0.592 4.552 3.960 -0.000 0.000 0.298 319 G C -0.982 174.029 174.900 0.185 0.000 1.277 319 G CA -0.450 44.700 45.100 0.084 0.000 0.986 319 G HN 0.379 nan 8.290 nan 0.000 0.487 320 S N -1.971 113.911 115.700 0.305 0.000 2.565 320 S HA 0.657 5.127 4.470 -0.000 0.000 0.274 320 S C 0.104 174.837 174.600 0.222 0.000 1.144 320 S CA 0.160 58.499 58.200 0.231 0.000 0.849 320 S CB 0.980 64.304 63.200 0.208 0.000 1.103 320 S HN 1.424 nan 8.310 nan 0.000 0.455 321 G N 1.307 110.190 108.800 0.138 0.000 2.543 321 G HA2 0.668 4.628 3.960 -0.000 0.000 0.290 321 G HA3 0.668 4.628 3.960 -0.000 0.000 0.290 321 G C -1.128 173.837 174.900 0.109 0.000 1.310 321 G CA -0.712 44.456 45.100 0.113 0.000 1.025 321 G HN 0.765 nan 8.290 nan 0.000 0.502 322 L N 1.209 122.485 121.223 0.087 0.000 2.365 322 L HA 0.389 4.729 4.340 -0.000 0.000 0.273 322 L C -1.650 175.248 176.870 0.048 0.000 1.000 322 L CA -1.560 53.325 54.840 0.075 0.000 0.819 322 L CB 1.992 44.102 42.059 0.085 0.000 1.284 322 L HN 0.473 nan 8.230 nan 0.000 0.418 323 P HA 0.309 nan 4.420 nan 0.000 0.271 323 P C -0.469 176.845 177.300 0.024 0.000 1.218 323 P CA -0.336 62.783 63.100 0.031 0.000 0.780 323 P CB 1.203 32.914 31.700 0.017 0.000 0.901 324 I N 1.137 121.717 120.570 0.016 0.000 2.634 324 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 324 I C 0.315 176.401 176.117 -0.053 0.000 1.124 324 I CA -0.467 60.824 61.300 -0.014 0.000 1.417 324 I CB 0.913 38.889 38.000 -0.041 0.000 1.396 324 I HN 0.072 nan 8.210 nan 0.000 0.571 325 V N 8.326 128.196 119.914 -0.074 0.000 2.294 325 V HA 0.223 4.343 4.120 -0.000 0.000 0.272 325 V C -2.089 173.888 176.094 -0.196 0.000 1.027 325 V CA -1.765 60.476 62.300 -0.099 0.000 0.823 325 V CB 0.782 32.567 31.823 -0.064 0.000 1.030 325 V HN 0.605 nan 8.190 nan 0.000 0.457 326 P HA -0.026 nan 4.420 nan 0.000 0.263 326 P C 0.426 177.469 177.300 -0.428 0.000 1.168 326 P CA 0.708 63.609 63.100 -0.332 0.000 0.759 326 P CB 0.122 31.693 31.700 -0.214 0.000 0.782 327 Q N -1.818 117.509 119.800 -0.789 0.000 2.465 327 Q HA -0.150 4.190 4.340 -0.000 0.000 0.248 327 Q C -0.795 174.718 176.000 -0.812 0.000 0.819 327 Q CA 0.369 55.528 55.803 -1.074 0.000 1.219 327 Q CB -1.909 26.548 28.738 -0.469 0.000 1.472 327 Q HN 0.246 nan 8.270 nan 0.000 0.630 328 V N 1.060 120.630 119.914 -0.572 0.000 2.443 328 V HA 0.351 4.471 4.120 -0.000 0.000 0.293 328 V C -0.077 176.050 176.094 0.055 0.000 1.021 328 V CA -0.441 61.767 62.300 -0.154 0.000 0.848 328 V CB 2.082 33.860 31.823 -0.076 0.000 0.998 328 V HN 0.078 nan 8.190 nan 0.000 0.424 329 S N 2.411 118.253 115.700 0.238 0.000 2.420 329 S HA 0.179 4.649 4.470 -0.000 0.000 0.313 329 S C 1.191 175.837 174.600 0.077 0.000 1.079 329 S CA -0.087 58.254 58.200 0.235 0.000 1.104 329 S CB 1.338 64.594 63.200 0.093 0.000 0.969 329 S HN 0.986 nan 8.310 nan 0.000 0.471 330 S N 2.708 118.461 115.700 0.088 0.000 2.496 330 S HA 0.166 4.636 4.470 -0.000 0.000 0.224 330 S C 0.524 175.153 174.600 0.048 0.000 0.996 330 S CA 0.268 58.531 58.200 0.105 0.000 0.927 330 S CB -0.119 63.147 63.200 0.110 0.000 0.774 330 S HN 0.561 nan 8.310 nan 0.000 0.524 331 I N 2.330 122.834 120.570 -0.110 0.000 2.466 331 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 331 I C -1.319 174.512 176.117 -0.477 0.000 1.026 331 I CA -0.581 60.610 61.300 -0.183 0.000 1.078 331 I CB 1.361 39.328 38.000 -0.055 0.000 1.249 331 I HN 0.146 nan 8.210 nan 0.000 0.429 332 H N 3.595 122.335 119.070 -0.551 0.000 2.697 332 H HA 0.363 4.919 4.556 -0.000 0.000 0.270 332 H C -0.936 174.244 175.328 -0.246 0.000 1.188 332 H CA -0.520 55.056 56.048 -0.787 0.000 1.322 332 H CB 0.657 29.342 29.762 -1.795 0.000 1.405 332 H HN 0.325 nan 8.280 nan 0.000 0.502 333 D N 2.483 122.954 120.400 0.118 0.000 2.264 333 D HA 0.093 4.733 4.640 -0.000 0.000 0.250 333 D C 0.058 176.534 176.300 0.293 0.000 1.113 333 D CA -0.529 53.619 54.000 0.247 0.000 0.871 333 D CB 1.231 42.062 40.800 0.052 0.000 1.167 333 D HN 0.325 nan 8.370 nan 0.000 0.447 334 M N 4.269 124.047 119.600 0.296 0.000 2.495 334 M HA 0.274 4.754 4.480 -0.000 0.000 0.346 334 M C -1.440 174.825 176.300 -0.059 0.000 1.251 334 M CA -0.240 55.162 55.300 0.170 0.000 1.249 334 M CB -0.378 32.376 32.600 0.258 0.000 1.229 334 M HN 0.227 nan 8.290 nan 0.000 0.450 335 L N 3.622 124.709 121.223 -0.227 0.000 2.440 335 L HA 0.753 5.093 4.340 -0.000 0.000 0.262 335 L C -0.458 176.389 176.870 -0.039 0.000 1.072 335 L CA -0.851 53.769 54.840 -0.367 0.000 0.798 335 L CB 1.236 43.013 42.059 -0.469 0.000 1.307 335 L HN 0.708 nan 8.230 nan 0.000 0.475 336 W N -0.432 120.760 121.300 -0.179 0.000 3.213 336 W HA 0.813 5.473 4.660 0.000 0.000 0.318 336 W C -1.931 174.526 176.519 -0.104 0.000 1.248 336 W CA -1.192 56.096 57.345 -0.094 0.000 1.187 336 W CB 1.467 30.914 29.460 -0.021 0.000 1.403 336 W HN 0.610 nan 8.180 nan 0.000 0.556 337 A N 1.377 124.318 122.820 0.201 0.000 2.515 337 A HA 0.914 5.234 4.320 -0.000 0.000 0.298 337 A C -1.600 175.984 177.584 0.000 0.000 1.059 337 A CA -0.408 51.559 52.037 -0.116 0.000 0.698 337 A CB 1.425 20.302 19.000 -0.206 0.000 1.289 337 A HN 1.490 nan 8.150 nan 0.000 0.404 338 A N 0.276 122.943 122.820 -0.255 0.000 2.413 338 A HA 1.020 5.340 4.320 -0.000 0.000 0.307 338 A C 0.214 177.500 177.584 -0.496 0.000 1.087 338 A CA 0.026 51.663 52.037 -0.666 0.000 0.750 338 A CB 1.625 19.969 19.000 -1.093 0.000 1.296 338 A HN 2.583 nan 8.150 nan 0.000 0.423 339 G N 0.125 108.674 108.800 -0.418 0.000 2.450 339 G HA2 0.547 4.507 3.960 -0.000 0.000 0.273 339 G HA3 0.547 4.507 3.960 -0.000 0.000 0.273 339 G C -1.845 172.887 174.900 -0.280 0.000 1.221 339 G CA -0.509 44.300 45.100 -0.486 0.000 0.900 339 G HN 0.714 nan 8.290 nan 0.000 0.483 340 E N -1.267 118.733 120.200 -0.333 0.000 2.369 340 E HA 0.685 5.035 4.350 -0.000 0.000 0.270 340 E C -0.848 175.694 176.600 -0.096 0.000 0.909 340 E CA -0.653 55.662 56.400 -0.142 0.000 0.775 340 E CB 2.588 32.210 29.700 -0.131 0.000 1.270 340 E HN 0.418 nan 8.360 nan 0.000 0.445 341 V N 0.957 120.893 119.914 0.037 0.000 2.513 341 V HA 0.908 5.028 4.120 -0.000 0.000 0.299 341 V C 0.290 176.417 176.094 0.056 0.000 1.035 341 V CA -0.458 61.905 62.300 0.106 0.000 0.889 341 V CB 1.697 33.669 31.823 0.250 0.000 0.988 341 V HN 0.717 nan 8.190 nan 0.000 0.440 342 G N 1.793 110.623 108.800 0.050 0.000 2.733 342 G HA2 0.692 4.652 3.960 -0.000 0.000 0.288 342 G HA3 0.692 4.652 3.960 -0.000 0.000 0.288 342 G C -0.643 174.290 174.900 0.055 0.000 1.373 342 G CA -0.433 44.686 45.100 0.033 0.000 0.895 342 G HN 0.943 nan 8.290 nan 0.000 0.479 343 V N -1.475 118.465 119.914 0.042 0.000 3.051 343 V HA 0.653 4.773 4.120 -0.000 0.000 0.306 343 V C 1.181 177.301 176.094 0.043 0.000 1.083 343 V CA 0.165 62.494 62.300 0.049 0.000 1.104 343 V CB 1.231 33.076 31.823 0.037 0.000 1.027 343 V HN 1.195 nan 8.190 nan 0.000 0.483 344 G N 1.480 110.310 108.800 0.049 0.000 3.353 344 G HA2 0.361 4.321 3.960 -0.000 0.000 0.247 344 G HA3 0.361 4.321 3.960 -0.000 0.000 0.247 344 G C 0.606 175.523 174.900 0.029 0.000 1.025 344 G CA 0.697 45.822 45.100 0.043 0.000 1.863 344 G HN 1.495 nan 8.290 nan 0.000 0.635 345 S N 0.298 116.011 115.700 0.022 0.000 4.050 345 S HA -0.275 4.195 4.470 -0.000 0.000 0.602 345 S C 0.694 175.302 174.600 0.014 0.000 2.030 345 S CA 1.750 59.958 58.200 0.013 0.000 4.208 345 S CB -0.898 62.306 63.200 0.008 0.000 0.290 345 S HN 0.626 nan 8.310 nan 0.000 0.615 346 E N 2.089 122.296 120.200 0.011 0.000 3.568 346 E HA 0.410 4.760 4.350 -0.000 0.000 0.213 346 E C -0.602 176.007 176.600 0.014 0.000 1.197 346 E CA -0.335 56.072 56.400 0.012 0.000 1.126 346 E CB 1.042 30.747 29.700 0.009 0.000 1.285 346 E HN 0.422 nan 8.360 nan 0.000 0.418 347 Q N -0.679 119.132 119.800 0.019 0.000 2.707 347 Q HA 0.360 4.700 4.340 -0.000 0.000 0.307 347 Q C -0.319 175.698 176.000 0.027 0.000 0.934 347 Q CA -0.929 54.888 55.803 0.022 0.000 0.753 347 Q CB 0.811 29.563 28.738 0.023 0.000 1.478 347 Q HN -0.053 nan 8.270 nan 0.000 0.458 348 E N -0.216 120.004 120.200 0.032 0.000 2.815 348 E HA 0.325 4.675 4.350 -0.000 0.000 0.211 348 E C -0.435 176.193 176.600 0.046 0.000 1.004 348 E CA 0.088 56.511 56.400 0.038 0.000 1.173 348 E CB 0.367 30.092 29.700 0.041 0.000 1.163 348 E HN 0.741 nan 8.360 nan 0.000 0.449 349 G N 0.362 109.187 108.800 0.041 0.000 3.392 349 G HA2 0.517 4.477 3.960 -0.000 0.000 0.188 349 G HA3 0.517 4.477 3.960 -0.000 0.000 0.188 349 G C -0.104 174.814 174.900 0.031 0.000 1.485 349 G CA 0.140 45.268 45.100 0.047 0.000 0.943 349 G HN 0.264 nan 8.290 nan 0.000 0.627 350 A N -0.390 122.452 122.820 0.037 0.000 2.445 350 A HA 0.392 4.712 4.320 -0.000 0.000 0.242 350 A C 1.238 178.845 177.584 0.038 0.000 1.075 350 A CA 0.021 52.075 52.037 0.029 0.000 0.777 350 A CB 0.396 19.455 19.000 0.097 0.000 1.013 350 A HN 0.546 nan 8.150 nan 0.000 0.493 351 K N 0.090 120.505 120.400 0.024 0.000 2.296 351 K HA 0.068 4.388 4.320 -0.000 0.000 0.200 351 K C 0.195 176.843 176.600 0.080 0.000 1.048 351 K CA 1.332 57.645 56.287 0.044 0.000 0.966 351 K CB -0.237 32.284 32.500 0.035 0.000 0.754 351 K HN 0.740 nan 8.250 nan 0.000 0.466 352 V N -1.322 118.667 119.914 0.125 0.000 3.012 352 V HA 0.453 4.573 4.120 -0.000 0.000 0.307 352 V C -1.515 174.733 176.094 0.257 0.000 1.166 352 V CA -1.162 61.243 62.300 0.175 0.000 0.974 352 V CB 2.243 34.182 31.823 0.193 0.000 1.040 352 V HN 0.031 nan 8.190 nan 0.000 0.428 353 E N 2.405 122.732 120.200 0.212 0.000 2.314 353 E HA 0.556 4.906 4.350 -0.000 0.000 0.272 353 E C -1.887 174.740 176.600 0.045 0.000 0.884 353 E CA -0.600 55.892 56.400 0.152 0.000 0.753 353 E CB 3.209 32.939 29.700 0.050 0.000 1.213 353 E HN 0.696 nan 8.360 nan 0.000 0.432 354 F N 1.566 121.258 119.950 -0.429 0.000 2.410 354 F HA 0.378 4.905 4.527 -0.000 0.000 0.349 354 F C -0.645 174.761 175.800 -0.657 0.000 1.117 354 F CA -0.537 57.002 58.000 -0.768 0.000 1.104 354 F CB 1.257 39.257 39.000 -1.667 0.000 1.122 354 F HN 0.201 nan 8.300 nan 0.000 0.483 355 S N 7.819 122.834 115.700 -1.142 0.000 2.669 355 S HA 0.407 4.877 4.470 -0.000 0.000 0.315 355 S C -2.674 171.221 174.600 -1.176 0.000 1.106 355 S CA -1.187 56.474 58.200 -0.899 0.000 1.107 355 S CB 1.209 64.142 63.200 -0.444 0.000 0.990 355 S HN 0.403 nan 8.310 nan 0.000 0.471 356 P HA 0.133 nan 4.420 nan 0.000 0.269 356 P C 0.457 177.483 177.300 -0.456 0.000 1.209 356 P CA -0.088 62.437 63.100 -0.958 0.000 0.776 356 P CB 0.690 31.966 31.700 -0.708 0.000 0.876 357 S N 1.377 116.806 115.700 -0.453 0.000 2.593 357 S HA 0.326 4.796 4.470 -0.000 0.000 0.235 357 S C 0.371 174.896 174.600 -0.124 0.000 1.059 357 S CA -0.139 57.973 58.200 -0.146 0.000 0.953 357 S CB -0.287 62.807 63.200 -0.178 0.000 0.897 357 S HN 0.527 nan 8.310 nan 0.000 0.507 358 M N -0.101 119.157 119.600 -0.569 0.000 2.562 358 M HA 0.877 5.357 4.480 -0.000 0.000 0.281 358 M C -1.795 173.805 176.300 -1.166 0.000 1.195 358 M CA -0.910 53.999 55.300 -0.652 0.000 0.888 358 M CB 1.564 34.035 32.600 -0.215 0.000 1.731 358 M HN 0.139 nan 8.290 nan 0.000 0.493 359 A N 0.606 122.567 122.820 -1.431 0.000 2.609 359 A HA 1.068 5.388 4.320 -0.000 0.000 0.291 359 A C -0.685 176.067 177.584 -1.386 0.000 1.096 359 A CA -0.066 51.025 52.037 -1.576 0.000 0.684 359 A CB 1.668 19.886 19.000 -1.302 0.000 1.282 359 A HN 1.695 nan 8.150 nan 0.000 0.412 360 G N -0.911 106.846 108.800 -1.737 0.000 2.578 360 G HA2 0.587 4.547 3.960 -0.000 0.000 0.302 360 G HA3 0.587 4.547 3.960 -0.000 0.000 0.302 360 G C -1.827 172.571 174.900 -0.837 0.000 1.243 360 G CA -0.498 44.062 45.100 -0.899 0.000 0.843 360 G HN 0.629 nan 8.290 nan 0.000 0.486 361 F N 0.144 119.920 119.950 -0.290 0.000 2.469 361 F HA 0.493 5.020 4.527 -0.000 0.000 0.332 361 F C 1.056 176.957 175.800 0.169 0.000 1.103 361 F CA -0.618 57.175 58.000 -0.345 0.000 0.979 361 F CB 2.309 40.515 39.000 -1.323 0.000 1.137 361 F HN 0.352 nan 8.300 nan 0.000 0.463 362 L N 1.153 122.578 121.223 0.336 0.000 2.209 362 L HA 0.201 4.541 4.340 -0.000 0.000 0.207 362 L C -0.063 176.890 176.870 0.138 0.000 1.094 362 L CA 1.662 56.653 54.840 0.251 0.000 0.790 362 L CB -0.141 42.027 42.059 0.181 0.000 0.932 362 L HN 0.529 nan 8.230 nan 0.000 0.447 363 D N -2.410 118.063 120.400 0.121 0.000 2.931 363 D HA 0.041 4.681 4.640 -0.000 0.000 0.215 363 D C -0.550 175.776 176.300 0.043 0.000 1.297 363 D CA -0.375 53.651 54.000 0.043 0.000 0.892 363 D CB 0.621 41.446 40.800 0.042 0.000 1.642 363 D HN 0.069 nan 8.370 nan 0.000 0.560 364 W N 2.321 123.511 121.300 -0.184 0.000 3.077 364 W HA 0.226 4.886 4.660 -0.000 0.000 0.245 364 W C 1.626 178.050 176.519 -0.159 0.000 1.316 364 W CA -0.106 57.036 57.345 -0.339 0.000 1.537 364 W CB 0.298 29.503 29.460 -0.425 0.000 1.131 364 W HN 0.381 nan 8.180 nan 0.000 0.695 365 G N 0.418 109.291 108.800 0.120 0.000 2.340 365 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.245 365 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.245 365 G C 0.349 175.387 174.900 0.229 0.000 1.294 365 G CA -0.513 44.675 45.100 0.148 0.000 0.896 365 G HN 0.220 nan 8.290 nan 0.000 0.522 366 F N 2.322 122.380 119.950 0.180 0.000 2.091 366 F HA -0.175 4.351 4.527 -0.000 0.000 0.299 366 F C 2.414 178.378 175.800 0.274 0.000 1.103 366 F CA 2.238 60.381 58.000 0.239 0.000 1.228 366 F CB 0.221 39.441 39.000 0.366 0.000 0.984 366 F HN 0.364 nan 8.300 nan 0.000 0.477 367 S N 0.274 116.179 115.700 0.342 0.000 2.593 367 S HA 0.394 4.864 4.470 -0.000 0.000 0.217 367 S C 0.560 175.108 174.600 -0.086 0.000 0.966 367 S CA 0.124 58.328 58.200 0.008 0.000 0.914 367 S CB -0.515 62.701 63.200 0.027 0.000 0.776 367 S HN 0.453 nan 8.310 nan 0.000 0.523 368 A N 1.386 124.257 122.820 0.085 0.000 2.328 368 A HA 0.764 5.084 4.320 -0.000 0.000 0.284 368 A C -0.607 177.196 177.584 0.365 0.000 1.160 368 A CA -0.273 51.842 52.037 0.131 0.000 0.818 368 A CB 0.416 19.481 19.000 0.109 0.000 1.087 368 A HN 0.467 nan 8.150 nan 0.000 0.504 369 Y N 0.840 121.287 120.300 0.245 0.000 2.925 369 Y HA 0.390 4.940 4.550 0.000 0.000 0.349 369 Y C 0.596 176.774 175.900 0.464 0.000 1.342 369 Y CA -0.018 58.300 58.100 0.363 0.000 1.093 369 Y CB 0.468 39.224 38.460 0.494 0.000 1.571 369 Y HN 1.781 nan 8.280 nan 0.000 0.438 370 A N 0.504 123.232 122.820 -0.153 0.000 2.665 370 A HA -0.040 4.280 4.320 -0.000 0.000 0.301 370 A C 0.219 177.869 177.584 0.110 0.000 1.509 370 A CA 1.037 53.036 52.037 -0.064 0.000 0.789 370 A CB -2.228 16.866 19.000 0.156 0.000 1.024 370 A HN 1.773 nan 8.150 nan 0.000 0.460 371 A N -0.580 122.306 122.820 0.110 0.000 2.540 371 A HA 0.563 4.883 4.320 -0.000 0.000 0.239 371 A C 0.753 178.465 177.584 0.214 0.000 1.061 371 A CA 0.814 52.972 52.037 0.200 0.000 0.758 371 A CB 0.079 19.182 19.000 0.172 0.000 0.991 371 A HN 2.322 nan 8.150 nan 0.000 0.502 372 A N 2.592 125.624 122.820 0.352 0.000 2.335 372 A HA 0.746 5.066 4.320 -0.000 0.000 0.304 372 A C 0.291 178.265 177.584 0.650 0.000 1.118 372 A CA 0.166 52.456 52.037 0.422 0.000 0.757 372 A CB 1.009 20.188 19.000 0.299 0.000 1.188 372 A HN 1.778 nan 8.150 nan 0.000 0.460 373 G N 0.553 109.719 108.800 0.610 0.000 3.013 373 G HA2 0.730 4.690 3.960 -0.000 0.000 0.278 373 G HA3 0.730 4.690 3.960 -0.000 0.000 0.278 373 G C -0.982 174.164 174.900 0.410 0.000 1.353 373 G CA -0.742 44.594 45.100 0.394 0.000 1.043 373 G HN 0.789 nan 8.290 nan 0.000 0.523 374 K N -1.408 118.896 120.400 -0.161 0.000 2.625 374 K HA 0.461 4.781 4.320 -0.000 0.000 0.284 374 K C -0.974 175.590 176.600 -0.059 0.000 0.984 374 K CA -0.571 55.821 56.287 0.175 0.000 0.865 374 K CB 1.691 34.485 32.500 0.490 0.000 1.468 374 K HN 0.420 nan 8.250 nan 0.000 0.407 375 V N 2.869 122.886 119.914 0.172 0.000 2.715 375 V HA 0.272 4.392 4.120 -0.000 0.000 0.299 375 V C -0.247 175.913 176.094 0.111 0.000 1.054 375 V CA -0.319 62.018 62.300 0.061 0.000 1.077 375 V CB 0.887 32.715 31.823 0.008 0.000 0.972 375 V HN 0.586 nan 8.190 nan 0.000 0.484 376 L N 8.661 129.891 121.223 0.012 0.000 2.366 376 L HA 0.571 4.911 4.340 -0.000 0.000 0.266 376 L C -2.487 174.396 176.870 0.023 0.000 1.010 376 L CA -1.892 52.927 54.840 -0.034 0.000 0.879 376 L CB 1.385 43.291 42.059 -0.253 0.000 1.228 376 L HN 0.405 nan 8.230 nan 0.000 0.439 377 P HA 0.062 nan 4.420 nan 0.000 0.265 377 P C 0.294 177.629 177.300 0.058 0.000 1.187 377 P CA 0.211 63.366 63.100 0.092 0.000 0.766 377 P CB 0.821 32.594 31.700 0.121 0.000 0.820 378 A N 2.672 125.527 122.820 0.058 0.000 2.070 378 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 378 A C 1.927 179.532 177.584 0.036 0.000 1.159 378 A CA 1.894 53.954 52.037 0.038 0.000 0.656 378 A CB -1.337 17.689 19.000 0.042 0.000 0.800 378 A HN 0.593 nan 8.150 nan 0.000 0.453 379 S N 0.284 116.016 115.700 0.053 0.000 2.603 379 S HA 0.071 4.541 4.470 -0.000 0.000 0.220 379 S C 1.018 175.650 174.600 0.055 0.000 0.967 379 S CA 0.403 58.634 58.200 0.052 0.000 0.920 379 S CB -0.894 62.343 63.200 0.062 0.000 0.773 379 S HN 0.740 nan 8.310 nan 0.000 0.529 380 S N 0.936 116.671 115.700 0.058 0.000 2.576 380 S HA 0.606 5.076 4.470 -0.000 0.000 0.272 380 S C 1.408 176.030 174.600 0.037 0.000 1.352 380 S CA -0.284 57.955 58.200 0.066 0.000 1.021 380 S CB 0.837 64.077 63.200 0.067 0.000 0.887 380 S HN 0.533 nan 8.310 nan 0.000 0.542 381 A N 1.727 124.572 122.820 0.042 0.000 1.972 381 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 381 A C 2.116 179.694 177.584 -0.010 0.000 1.169 381 A CA 1.488 53.535 52.037 0.016 0.000 0.635 381 A CB -1.169 17.842 19.000 0.019 0.000 0.810 381 A HN 0.766 nan 8.150 nan 0.000 0.446 382 V N -0.366 119.539 119.914 -0.016 0.000 2.261 382 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 382 V C 2.798 178.857 176.094 -0.059 0.000 1.047 382 V CA 2.419 64.685 62.300 -0.056 0.000 1.015 382 V CB -0.797 30.973 31.823 -0.088 0.000 0.642 382 V HN 0.558 nan 8.190 nan 0.000 0.446 383 S N -0.755 114.917 115.700 -0.046 0.000 2.383 383 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 383 S C 1.953 176.537 174.600 -0.027 0.000 1.026 383 S CA 1.310 59.486 58.200 -0.039 0.000 0.981 383 S CB -0.242 62.943 63.200 -0.024 0.000 0.818 383 S HN 0.562 nan 8.310 nan 0.000 0.472 384 K N 0.600 120.990 120.400 -0.016 0.000 2.097 384 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 384 K C 2.216 178.802 176.600 -0.023 0.000 1.049 384 K CA 1.506 57.785 56.287 -0.012 0.000 0.933 384 K CB -0.362 32.136 32.500 -0.003 0.000 0.717 384 K HN 0.254 nan 8.250 nan 0.000 0.442 385 T N 0.650 115.184 114.554 -0.032 0.000 2.777 385 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 385 T C 1.988 176.659 174.700 -0.049 0.000 1.040 385 T CA 1.676 63.751 62.100 -0.042 0.000 1.141 385 T CB -0.104 68.732 68.868 -0.054 0.000 0.868 385 T HN 0.335 nan 8.240 nan 0.000 0.444 386 S N 0.286 115.953 115.700 -0.056 0.000 2.558 386 S HA 0.354 4.824 4.470 -0.000 0.000 0.217 386 S C 1.688 176.260 174.600 -0.046 0.000 0.975 386 S CA 0.469 58.633 58.200 -0.060 0.000 0.912 386 S CB -0.174 62.980 63.200 -0.076 0.000 0.776 386 S HN 0.707 nan 8.310 nan 0.000 0.526 387 G N 0.794 109.572 108.800 -0.036 0.000 2.198 387 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.257 387 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.257 387 G C -0.110 174.777 174.900 -0.022 0.000 1.042 387 G CA 0.021 45.105 45.100 -0.026 0.000 0.791 387 G HN 0.722 nan 8.290 nan 0.000 0.502 388 V N 0.720 120.619 119.914 -0.025 0.000 2.432 388 V HA 0.329 4.449 4.120 -0.000 0.000 0.271 388 V C 1.087 177.178 176.094 -0.005 0.000 1.046 388 V CA -0.250 62.038 62.300 -0.020 0.000 0.945 388 V CB 1.508 33.313 31.823 -0.030 0.000 0.992 388 V HN 0.356 nan 8.190 nan 0.000 0.471 389 E N 3.053 123.254 120.200 0.002 0.000 2.479 389 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 389 E C 0.287 176.903 176.600 0.025 0.000 1.049 389 E CA 0.285 56.693 56.400 0.013 0.000 0.870 389 E CB 0.729 30.436 29.700 0.012 0.000 0.944 389 E HN 0.657 nan 8.360 nan 0.000 0.492 390 V N -1.704 118.226 119.914 0.026 0.000 2.960 390 V HA 0.509 4.629 4.120 -0.000 0.000 0.315 390 V C -0.376 175.752 176.094 0.056 0.000 1.087 390 V CA -1.237 61.091 62.300 0.045 0.000 0.982 390 V CB 2.152 34.001 31.823 0.043 0.000 1.039 390 V HN -0.298 nan 8.190 nan 0.000 0.437 391 D N 1.742 122.197 120.400 0.092 0.000 2.345 391 D HA 0.551 5.191 4.640 -0.000 0.000 0.247 391 D C 0.063 176.441 176.300 0.130 0.000 1.108 391 D CA 0.113 54.182 54.000 0.115 0.000 0.894 391 D CB 1.044 41.949 40.800 0.175 0.000 1.203 391 D HN 0.618 nan 8.370 nan 0.000 0.430 392 R N 0.666 121.226 120.500 0.099 0.000 2.912 392 R HA 0.479 4.819 4.340 -0.000 0.000 0.262 392 R C -1.102 175.286 176.300 0.148 0.000 1.057 392 R CA -1.014 55.148 56.100 0.103 0.000 0.981 392 R CB 1.543 31.842 30.300 -0.002 0.000 1.201 392 R HN 0.410 nan 8.270 nan 0.000 0.484 393 Y N 0.860 121.192 120.300 0.054 0.000 2.376 393 Y HA 0.357 4.907 4.550 -0.000 0.000 0.326 393 Y C -1.169 174.731 175.900 0.000 0.000 0.970 393 Y CA -0.682 57.461 58.100 0.072 0.000 1.248 393 Y CB 1.252 39.823 38.460 0.184 0.000 1.117 393 Y HN 0.213 nan 8.280 nan 0.000 0.476 394 V N 5.280 124.939 119.914 -0.425 0.000 2.394 394 V HA 0.432 4.552 4.120 -0.000 0.000 0.282 394 V C -0.185 175.657 176.094 -0.421 0.000 1.031 394 V CA -0.438 61.630 62.300 -0.387 0.000 0.881 394 V CB 1.446 33.007 31.823 -0.436 0.000 0.982 394 V HN 0.759 nan 8.190 nan 0.000 0.451 395 S N 5.015 120.539 115.700 -0.294 0.000 2.473 395 S HA 0.740 5.210 4.470 -0.000 0.000 0.307 395 S C -1.097 173.391 174.600 -0.186 0.000 1.094 395 S CA -0.469 57.691 58.200 -0.066 0.000 1.070 395 S CB 0.623 63.906 63.200 0.139 0.000 1.019 395 S HN 0.400 nan 8.310 nan 0.000 0.480 396 F N 3.882 123.906 119.950 0.123 0.000 2.375 396 F HA 0.468 4.995 4.527 0.000 0.000 0.361 396 F C 0.159 176.084 175.800 0.209 0.000 1.117 396 F CA -0.816 57.272 58.000 0.146 0.000 1.037 396 F CB 1.558 40.644 39.000 0.144 0.000 1.192 396 F HN 0.222 nan 8.300 nan 0.000 0.452 397 V N 2.685 122.786 119.914 0.311 0.000 2.567 397 V HA 0.137 4.257 4.120 -0.000 0.000 0.289 397 V C -0.565 175.753 176.094 0.373 0.000 1.049 397 V CA -0.811 61.668 62.300 0.298 0.000 0.969 397 V CB 1.386 33.328 31.823 0.197 0.000 0.995 397 V HN 0.728 nan 8.190 nan 0.000 0.471 398 W N 5.553 126.963 121.300 0.182 0.000 2.376 398 W HA 0.609 5.269 4.660 -0.000 0.000 0.322 398 W C -0.853 175.752 176.519 0.144 0.000 1.160 398 W CA -1.125 56.321 57.345 0.169 0.000 1.218 398 W CB 1.195 30.772 29.460 0.195 0.000 1.205 398 W HN 0.387 nan 8.180 nan 0.000 0.559 399 L N 7.005 128.078 121.223 -0.250 0.000 2.366 399 L HA 0.262 4.602 4.340 -0.000 0.000 0.266 399 L C 0.380 176.808 176.870 -0.736 0.000 1.010 399 L CA -0.232 54.353 54.840 -0.425 0.000 0.879 399 L CB 0.801 42.676 42.059 -0.306 0.000 1.228 399 L HN 0.473 nan 8.230 nan 0.000 0.439 400 T N 2.165 115.886 114.554 -1.388 0.000 2.946 400 T HA 0.215 4.565 4.350 -0.000 0.000 0.311 400 T C 1.332 175.773 174.700 -0.431 0.000 1.063 400 T CA 0.717 62.036 62.100 -1.302 0.000 1.139 400 T CB 0.847 68.685 68.868 -1.717 0.000 0.994 400 T HN 0.800 nan 8.240 nan 0.000 0.547 401 G N 2.345 110.958 108.800 -0.313 0.000 2.777 401 G HA2 0.073 4.033 3.960 -0.000 0.000 0.211 401 G HA3 0.073 4.033 3.960 -0.000 0.000 0.211 401 G C 0.390 174.799 174.900 -0.819 0.000 1.149 401 G CA 0.391 45.169 45.100 -0.536 0.000 0.785 401 G HN 0.844 nan 8.290 nan 0.000 0.536 402 D N -1.256 118.813 120.400 -0.552 0.000 2.895 402 D HA 0.144 4.784 4.640 -0.000 0.000 0.350 402 D C 0.371 176.518 176.300 -0.254 0.000 1.389 402 D CA -0.747 52.975 54.000 -0.463 0.000 0.812 402 D CB -0.792 39.802 40.800 -0.344 0.000 1.164 402 D HN 0.227 nan 8.370 nan 0.000 0.455 403 Q N 0.114 119.747 119.800 -0.277 0.000 2.451 403 Q HA -0.270 4.070 4.340 -0.000 0.000 0.305 403 Q C -0.736 175.230 176.000 -0.057 0.000 1.345 403 Q CA 0.422 56.183 55.803 -0.071 0.000 0.854 403 Q CB -2.196 26.677 28.738 0.225 0.000 1.162 403 Q HN 0.536 nan 8.270 nan 0.000 0.440 404 Y N -2.250 117.977 120.300 -0.123 0.000 3.389 404 Y HA -0.321 4.229 4.550 -0.000 0.000 0.213 404 Y C 0.590 176.508 175.900 0.029 0.000 1.272 404 Y CA 1.262 59.307 58.100 -0.091 0.000 1.444 404 Y CB -2.545 35.712 38.460 -0.338 0.000 1.445 404 Y HN 0.576 nan 8.280 nan 0.000 0.583 405 E N -2.023 118.225 120.200 0.079 0.000 2.791 405 E HA -0.338 4.012 4.350 -0.000 0.000 0.271 405 E C 0.813 177.470 176.600 0.095 0.000 1.044 405 E CA 0.706 57.154 56.400 0.081 0.000 0.814 405 E CB -0.502 29.269 29.700 0.118 0.000 1.400 405 E HN 0.617 nan 8.360 nan 0.000 0.423 406 Q N -1.674 118.192 119.800 0.110 0.000 2.217 406 Q HA 0.298 4.638 4.340 -0.000 0.000 0.217 406 Q C 0.513 176.569 176.000 0.093 0.000 0.844 406 Q CA 0.674 56.551 55.803 0.123 0.000 0.957 406 Q CB 1.050 29.905 28.738 0.195 0.000 1.127 406 Q HN 0.357 nan 8.270 nan 0.000 0.503 407 A N 1.529 124.383 122.820 0.056 0.000 2.507 407 A HA 0.007 4.327 4.320 -0.000 0.000 0.235 407 A C 0.148 177.762 177.584 0.051 0.000 1.070 407 A CA 0.056 52.120 52.037 0.044 0.000 0.768 407 A CB 0.124 19.129 19.000 0.009 0.000 1.011 407 A HN 0.047 nan 8.150 nan 0.000 0.502 408 D N 0.880 121.306 120.400 0.043 0.000 2.631 408 D HA 0.401 5.041 4.640 -0.000 0.000 0.227 408 D C 0.926 177.237 176.300 0.018 0.000 1.146 408 D CA 1.036 55.052 54.000 0.026 0.000 1.009 408 D CB -0.923 39.885 40.800 0.013 0.000 1.057 408 D HN 1.212 nan 8.370 nan 0.000 0.509 409 G N 3.103 111.922 108.800 0.032 0.000 2.326 409 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.286 409 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.286 409 G C 0.093 175.004 174.900 0.018 0.000 1.096 409 G CA -0.200 44.912 45.100 0.019 0.000 1.003 409 G HN 0.490 nan 8.290 nan 0.000 0.503 410 F N 1.709 121.605 119.950 -0.090 0.000 2.518 410 F HA 0.482 5.009 4.527 -0.000 0.000 0.359 410 F C -0.829 174.915 175.800 -0.094 0.000 1.118 410 F CA -1.475 56.450 58.000 -0.124 0.000 1.287 410 F CB 0.876 39.762 39.000 -0.190 0.000 1.132 410 F HN 0.080 nan 8.300 nan 0.000 0.587 411 P HA 0.020 nan 4.420 nan 0.000 0.231 411 P C 0.398 177.677 177.300 -0.036 0.000 1.756 411 P CA 0.234 63.166 63.100 -0.281 0.000 0.990 411 P CB -0.133 31.352 31.700 -0.359 0.000 1.973 412 T N 0.981 115.654 114.554 0.198 0.000 2.684 412 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 412 T C 1.961 176.708 174.700 0.078 0.000 1.036 412 T CA 2.016 64.227 62.100 0.185 0.000 1.148 412 T CB -0.338 68.604 68.868 0.123 0.000 0.863 412 T HN 0.291 nan 8.240 nan 0.000 0.436 413 A N 1.032 123.888 122.820 0.061 0.000 1.972 413 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 413 A C 2.269 179.891 177.584 0.063 0.000 1.169 413 A CA 1.447 53.520 52.037 0.060 0.000 0.635 413 A CB -0.539 18.489 19.000 0.046 0.000 0.810 413 A HN 0.395 nan 8.150 nan 0.000 0.446 414 Q N -0.860 118.962 119.800 0.037 0.000 2.172 414 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 414 Q C 2.077 178.106 176.000 0.049 0.000 0.964 414 Q CA 1.679 57.503 55.803 0.036 0.000 0.855 414 Q CB -0.267 28.469 28.738 -0.004 0.000 0.918 414 Q HN 0.858 nan 8.270 nan 0.000 0.444 415 Q N -0.857 118.951 119.800 0.013 0.000 2.212 415 Q HA -0.001 4.339 4.340 -0.000 0.000 0.199 415 Q C 0.713 176.744 176.000 0.051 0.000 0.950 415 Q CA 0.975 56.733 55.803 -0.074 0.000 0.863 415 Q CB 0.103 28.678 28.738 -0.272 0.000 0.944 415 Q HN 0.444 nan 8.270 nan 0.000 0.465 416 G N 0.158 109.041 108.800 0.139 0.000 2.162 416 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 416 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 416 G C -0.357 174.786 174.900 0.405 0.000 0.976 416 G CA 0.608 45.917 45.100 0.347 0.000 0.655 416 G HN 0.439 nan 8.290 nan 0.000 0.533 417 W N -1.719 119.590 121.300 0.016 0.000 3.153 417 W HA 0.671 5.331 4.660 0.000 0.000 0.316 417 W C -1.094 175.386 176.519 -0.066 0.000 1.255 417 W CA -0.488 56.835 57.345 -0.037 0.000 1.192 417 W CB 0.474 29.815 29.460 -0.199 0.000 1.400 417 W HN 0.451 nan 8.180 nan 0.000 0.568 418 T N 1.755 116.406 114.554 0.161 0.000 2.991 418 T HA 0.622 4.972 4.350 -0.000 0.000 0.303 418 T C 0.069 174.876 174.700 0.177 0.000 1.015 418 T CA 0.509 62.552 62.100 -0.095 0.000 1.007 418 T CB 1.238 70.047 68.868 -0.098 0.000 1.034 418 T HN 1.511 nan 8.240 nan 0.000 0.446 419 G N 1.921 110.799 108.800 0.130 0.000 2.814 419 G HA2 0.218 4.178 3.960 -0.000 0.000 0.677 419 G HA3 0.218 4.178 3.960 -0.000 0.000 0.677 419 G C -0.347 174.851 174.900 0.496 0.000 1.429 419 G CA -0.118 45.198 45.100 0.360 0.000 0.868 419 G HN 1.333 nan 8.290 nan 0.000 0.553 420 S N -1.345 114.581 115.700 0.376 0.000 2.611 420 S HA 0.706 5.176 4.470 -0.000 0.000 0.268 420 S C -0.492 174.234 174.600 0.210 0.000 1.156 420 S CA -0.367 57.965 58.200 0.219 0.000 0.817 420 S CB 1.075 64.372 63.200 0.162 0.000 1.122 420 S HN 1.131 nan 8.310 nan 0.000 0.466 421 L N 2.440 123.777 121.223 0.189 0.000 2.387 421 L HA 0.593 4.933 4.340 -0.000 0.000 0.266 421 L C -0.151 176.888 176.870 0.280 0.000 1.059 421 L CA -0.966 54.033 54.840 0.265 0.000 0.801 421 L CB 0.922 43.139 42.059 0.263 0.000 1.223 421 L HN 0.602 nan 8.230 nan 0.000 0.456 422 L N 0.806 122.186 121.223 0.262 0.000 2.448 422 L HA 0.394 4.734 4.340 -0.000 0.000 0.258 422 L C -0.044 176.934 176.870 0.180 0.000 1.104 422 L CA -0.915 54.082 54.840 0.261 0.000 0.800 422 L CB 0.707 42.850 42.059 0.140 0.000 1.241 422 L HN 0.356 nan 8.230 nan 0.000 0.472 423 L N 1.094 122.354 121.223 0.061 0.000 2.485 423 L HA 0.095 4.435 4.340 -0.000 0.000 0.275 423 L C -2.085 174.736 176.870 -0.080 0.000 1.207 423 L CA -1.531 53.265 54.840 -0.074 0.000 0.855 423 L CB -0.238 41.790 42.059 -0.050 0.000 1.114 423 L HN 0.247 nan 8.230 nan 0.000 0.485 424 P HA 0.110 nan 4.420 nan 0.000 0.265 424 P C -1.026 176.083 177.300 -0.318 0.000 1.193 424 P CA 0.283 63.049 63.100 -0.557 0.000 0.765 424 P CB 0.489 31.887 31.700 -0.502 0.000 0.823 425 R N 2.197 122.509 120.500 -0.314 0.000 2.599 425 R HA 0.336 4.676 4.340 -0.000 0.000 0.295 425 R C -0.280 175.939 176.300 -0.136 0.000 0.963 425 R CA -0.737 55.283 56.100 -0.133 0.000 0.883 425 R CB 1.938 32.238 30.300 0.001 0.000 1.171 425 R HN 0.460 nan 8.270 nan 0.000 0.450 426 E N 2.465 122.606 120.200 -0.098 0.000 2.229 426 E HA 0.172 4.522 4.350 -0.000 0.000 0.283 426 E C -0.822 175.754 176.600 -0.039 0.000 1.030 426 E CA -0.513 55.843 56.400 -0.072 0.000 0.836 426 E CB 0.949 30.603 29.700 -0.077 0.000 1.068 426 E HN -0.000 nan 8.360 nan 0.000 0.401 427 L N 4.544 125.767 121.223 0.000 0.000 2.307 427 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 427 L C -0.034 176.754 176.870 -0.137 0.000 1.023 427 L CA -0.089 54.706 54.840 -0.075 0.000 0.810 427 L CB 1.003 43.047 42.059 -0.024 0.000 1.231 427 L HN 0.557 nan 8.230 nan 0.000 0.423 428 K N 1.415 121.663 120.400 -0.252 0.000 2.499 428 K HA 0.647 4.967 4.320 -0.000 0.000 0.284 428 K C -1.686 174.701 176.600 -0.356 0.000 1.039 428 K CA -0.915 55.215 56.287 -0.262 0.000 0.873 428 K CB 1.310 33.736 32.500 -0.123 0.000 1.545 428 K HN 0.026 nan 8.250 nan 0.000 0.402 429 V N 1.923 121.686 119.914 -0.251 0.000 2.432 429 V HA 0.186 4.306 4.120 -0.000 0.000 0.271 429 V C -0.455 175.602 176.094 -0.062 0.000 1.046 429 V CA -0.139 62.072 62.300 -0.148 0.000 0.945 429 V CB 0.753 32.565 31.823 -0.020 0.000 0.992 429 V HN 0.670 nan 8.190 nan 0.000 0.471 430 Q N 4.034 123.816 119.800 -0.031 0.000 2.256 430 Q HA 0.575 4.915 4.340 -0.000 0.000 0.257 430 Q C -0.148 175.874 176.000 0.038 0.000 0.936 430 Q CA -0.364 55.442 55.803 0.005 0.000 0.903 430 Q CB 1.799 30.548 28.738 0.018 0.000 1.263 430 Q HN 0.923 nan 8.270 nan 0.000 0.440 431 T N -0.231 114.338 114.554 0.024 0.000 2.918 431 T HA 0.793 5.143 4.350 -0.000 0.000 0.286 431 T C -0.675 174.025 174.700 0.000 0.000 1.026 431 T CA -0.788 61.322 62.100 0.017 0.000 1.031 431 T CB 1.266 70.140 68.868 0.009 0.000 1.046 431 T HN 0.306 nan 8.240 nan 0.000 0.479 432 V N 2.455 122.348 119.914 -0.034 0.000 2.407 432 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 432 V C -0.187 175.857 176.094 -0.085 0.000 1.018 432 V CA -0.807 61.455 62.300 -0.064 0.000 0.842 432 V CB 1.144 32.886 31.823 -0.136 0.000 0.996 432 V HN 0.990 nan 8.190 nan 0.000 0.426 433 E N 2.701 122.869 120.200 -0.053 0.000 2.232 433 E HA 0.514 4.864 4.350 -0.000 0.000 0.264 433 E C -0.012 176.559 176.600 -0.048 0.000 0.973 433 E CA -0.794 55.576 56.400 -0.049 0.000 0.849 433 E CB 1.012 30.696 29.700 -0.026 0.000 1.198 433 E HN 0.749 nan 8.360 nan 0.000 0.407 434 N N -1.055 117.620 118.700 -0.042 0.000 2.776 434 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 434 N C -1.029 174.459 175.510 -0.037 0.000 1.112 434 N CA -0.075 52.957 53.050 -0.030 0.000 0.733 434 N CB -1.068 37.409 38.487 -0.017 0.000 1.097 434 N HN 0.056 nan 8.380 nan 0.000 0.558 435 V N 1.336 121.206 119.914 -0.073 0.000 2.461 435 V HA 0.190 4.310 4.120 -0.000 0.000 0.275 435 V C 1.027 177.091 176.094 -0.051 0.000 1.047 435 V CA -0.590 61.656 62.300 -0.090 0.000 0.955 435 V CB 1.582 33.254 31.823 -0.252 0.000 0.988 435 V HN 0.013 nan 8.190 nan 0.000 0.471 436 V N 4.260 124.172 119.914 -0.003 0.000 2.493 436 V HA -0.002 4.118 4.120 -0.000 0.000 0.292 436 V C 0.821 176.926 176.094 0.020 0.000 1.016 436 V CA 0.065 62.374 62.300 0.015 0.000 1.097 436 V CB 0.587 32.432 31.823 0.037 0.000 0.947 436 V HN 0.895 nan 8.190 nan 0.000 0.479 437 D N 5.118 125.526 120.400 0.013 0.000 2.489 437 D HA 0.098 4.738 4.640 -0.000 0.000 0.237 437 D C 0.209 176.538 176.300 0.048 0.000 1.212 437 D CA 0.059 54.074 54.000 0.024 0.000 1.058 437 D CB -0.144 40.665 40.800 0.015 0.000 1.098 437 D HN 0.851 nan 8.370 nan 0.000 0.509 438 N N 0.404 119.150 118.700 0.076 0.000 3.201 438 N HA 0.231 4.971 4.740 -0.000 0.000 0.344 438 N C 0.793 176.373 175.510 0.118 0.000 1.465 438 N CA -0.610 52.491 53.050 0.085 0.000 0.731 438 N CB 0.306 38.842 38.487 0.080 0.000 1.677 438 N HN -0.256 nan 8.380 nan 0.000 0.631 439 E N -0.053 120.215 120.200 0.113 0.000 2.160 439 E HA -0.044 4.306 4.350 -0.000 0.000 0.195 439 E C 1.519 178.237 176.600 0.197 0.000 0.991 439 E CA 1.079 57.558 56.400 0.132 0.000 0.810 439 E CB -0.535 29.229 29.700 0.107 0.000 0.742 439 E HN 0.496 nan 8.360 nan 0.000 0.466 440 L N -0.205 121.148 121.223 0.217 0.000 2.187 440 L HA -0.155 4.185 4.340 -0.000 0.000 0.213 440 L C 1.972 179.140 176.870 0.496 0.000 1.100 440 L CA 0.685 55.701 54.840 0.293 0.000 0.765 440 L CB -0.268 41.934 42.059 0.239 0.000 0.904 440 L HN 0.083 nan 8.230 nan 0.000 0.437 441 V N -1.101 119.053 119.914 0.400 0.000 2.992 441 V HA -0.009 4.111 4.120 -0.000 0.000 0.250 441 V C 2.063 178.409 176.094 0.420 0.000 1.090 441 V CA 0.871 63.414 62.300 0.405 0.000 1.101 441 V CB -0.226 31.674 31.823 0.129 0.000 0.743 441 V HN 0.352 nan 8.190 nan 0.000 0.468 442 R N 0.393 121.048 120.500 0.258 0.000 2.334 442 R HA 0.209 4.549 4.340 -0.000 0.000 0.216 442 R C 0.769 177.131 176.300 0.103 0.000 0.905 442 R CA -0.188 56.005 56.100 0.155 0.000 1.064 442 R CB -0.274 30.087 30.300 0.101 0.000 1.046 442 R HN 0.580 nan 8.270 nan 0.000 0.508 443 E N 2.008 122.291 120.200 0.138 0.000 2.442 443 E HA -0.064 4.286 4.350 -0.000 0.000 0.262 443 E C -0.491 176.070 176.600 -0.065 0.000 1.004 443 E CA 0.280 56.719 56.400 0.065 0.000 0.928 443 E CB 0.650 30.428 29.700 0.129 0.000 0.937 443 E HN 0.125 nan 8.360 nan 0.000 0.446 444 E N 1.751 121.910 120.200 -0.068 0.000 2.374 444 E HA 0.232 4.582 4.350 -0.000 0.000 0.260 444 E C 0.334 176.806 176.600 -0.213 0.000 1.101 444 E CA 0.267 56.578 56.400 -0.148 0.000 0.907 444 E CB 0.877 30.495 29.700 -0.136 0.000 1.014 444 E HN 0.833 nan 8.360 nan 0.000 0.427 445 G N 0.680 109.274 108.800 -0.343 0.000 2.314 445 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.292 445 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.292 445 G C 0.173 175.000 174.900 -0.121 0.000 1.059 445 G CA 0.478 45.282 45.100 -0.494 0.000 0.982 445 G HN 0.397 nan 8.290 nan 0.000 0.505 446 V N -3.785 115.975 119.914 -0.257 0.000 3.345 446 V HA 0.909 5.029 4.120 -0.000 0.000 0.308 446 V C 1.084 176.894 176.094 -0.472 0.000 1.168 446 V CA 0.227 62.027 62.300 -0.834 0.000 1.024 446 V CB 1.727 32.309 31.823 -2.070 0.000 1.211 446 V HN 0.399 nan 8.190 nan 0.000 0.461 447 S N 0.732 116.062 115.700 -0.616 0.000 2.583 447 S HA 0.357 4.827 4.470 -0.000 0.000 0.239 447 S C -0.483 174.324 174.600 0.345 0.000 0.966 447 S CA -0.226 57.962 58.200 -0.019 0.000 0.973 447 S CB -0.819 62.643 63.200 0.436 0.000 0.794 447 S HN 0.868 nan 8.310 nan 0.000 0.463 448 W N -0.148 121.242 121.300 0.150 0.000 3.075 448 W HA 0.734 5.394 4.660 0.000 0.000 0.334 448 W C -1.268 175.297 176.519 0.076 0.000 1.243 448 W CA -1.424 56.011 57.345 0.150 0.000 1.170 448 W CB 0.450 29.978 29.460 0.112 0.000 1.452 448 W HN -0.112 nan 8.180 nan 0.000 0.572 449 V N -0.556 119.532 119.914 0.291 0.000 3.001 449 V HA 0.812 4.932 4.120 -0.000 0.000 0.314 449 V C -0.948 175.262 176.094 0.193 0.000 1.099 449 V CA -1.443 60.951 62.300 0.157 0.000 0.989 449 V CB 1.278 33.149 31.823 0.079 0.000 1.040 449 V HN 0.629 nan 8.190 nan 0.000 0.434 450 V N 3.214 123.205 119.914 0.128 0.000 2.389 450 V HA 0.405 4.525 4.120 -0.000 0.000 0.264 450 V C 1.587 177.710 176.094 0.050 0.000 1.049 450 V CA 0.925 63.276 62.300 0.085 0.000 0.932 450 V CB 0.325 32.187 31.823 0.065 0.000 1.011 450 V HN 1.208 nan 8.190 nan 0.000 0.475 451 G N 4.678 113.501 108.800 0.038 0.000 2.448 451 G HA2 0.040 4.000 3.960 -0.000 0.000 0.218 451 G HA3 0.040 4.000 3.960 -0.000 0.000 0.218 451 G C 0.378 175.287 174.900 0.015 0.000 1.135 451 G CA 0.855 45.971 45.100 0.028 0.000 0.784 451 G HN 0.844 nan 8.290 nan 0.000 0.543 452 E N -2.689 117.516 120.200 0.008 0.000 2.389 452 E HA 0.507 4.857 4.350 -0.000 0.000 0.281 452 E C -1.561 175.037 176.600 -0.002 0.000 1.111 452 E CA -0.840 55.562 56.400 0.004 0.000 0.869 452 E CB 0.722 30.423 29.700 0.002 0.000 1.259 452 E HN 0.079 nan 8.360 nan 0.000 0.434 453 S N 0.069 115.769 115.700 0.000 0.000 2.565 453 S HA 0.300 4.770 4.470 -0.000 0.000 0.274 453 S C -1.642 172.958 174.600 0.001 0.000 1.144 453 S CA -0.600 57.599 58.200 -0.002 0.000 0.849 453 S CB 1.447 64.648 63.200 0.001 0.000 1.103 453 S HN 0.548 nan 8.310 nan 0.000 0.455 454 D N 2.395 122.795 120.400 0.000 0.000 2.643 454 D HA 0.305 4.945 4.640 -0.000 0.000 0.244 454 D C 0.227 176.529 176.300 0.004 0.000 1.257 454 D CA -0.210 53.791 54.000 0.002 0.000 0.831 454 D CB 0.001 40.802 40.800 0.001 0.000 1.043 454 D HN 0.578 nan 8.370 nan 0.000 0.488 455 N N 0.402 119.105 118.700 0.006 0.000 2.929 455 N HA -0.242 4.498 4.740 -0.000 0.000 0.234 455 N C 1.343 176.860 175.510 0.010 0.000 0.908 455 N CA 1.782 54.838 53.050 0.010 0.000 0.993 455 N CB -0.560 37.933 38.487 0.010 0.000 1.075 455 N HN 0.407 nan 8.380 nan 0.000 0.603 456 Q N -0.292 119.512 119.800 0.006 0.000 2.514 456 Q HA 0.231 4.571 4.340 -0.000 0.000 0.208 456 Q C 0.991 176.992 176.000 0.003 0.000 0.938 456 Q CA 1.269 57.076 55.803 0.006 0.000 0.892 456 Q CB -0.232 28.508 28.738 0.004 0.000 1.050 456 Q HN 0.419 nan 8.270 nan 0.000 0.595 457 T N -1.913 112.639 114.554 -0.004 0.000 2.907 457 T HA 0.895 5.245 4.350 -0.000 0.000 0.292 457 T C -0.733 173.955 174.700 -0.021 0.000 1.043 457 T CA -0.424 61.669 62.100 -0.013 0.000 1.003 457 T CB 2.018 70.879 68.868 -0.013 0.000 1.084 457 T HN 0.509 nan 8.240 nan 0.000 0.483 458 A N 1.180 123.976 122.820 -0.040 0.000 2.564 458 A HA 0.872 5.192 4.320 -0.000 0.000 0.288 458 A C -0.473 177.068 177.584 -0.071 0.000 1.164 458 A CA -0.988 51.021 52.037 -0.047 0.000 0.712 458 A CB 1.508 20.480 19.000 -0.047 0.000 1.303 458 A HN 0.886 nan 8.150 nan 0.000 0.418 459 T N 1.282 115.801 114.554 -0.059 0.000 2.809 459 T HA 0.535 4.885 4.350 -0.000 0.000 0.284 459 T C -0.836 173.825 174.700 -0.064 0.000 0.992 459 T CA -0.217 61.845 62.100 -0.063 0.000 0.957 459 T CB 0.588 69.438 68.868 -0.030 0.000 0.942 459 T HN 0.362 nan 8.240 nan 0.000 0.439 460 L N 3.248 124.403 121.223 -0.113 0.000 2.399 460 L HA 0.595 4.935 4.340 -0.000 0.000 0.265 460 L C 0.609 177.490 176.870 0.019 0.000 1.089 460 L CA -0.265 54.526 54.840 -0.082 0.000 0.802 460 L CB 0.622 42.500 42.059 -0.301 0.000 1.180 460 L HN 0.488 nan 8.230 nan 0.000 0.454 461 R N 0.345 120.914 120.500 0.115 0.000 2.513 461 R HA 0.723 5.063 4.340 -0.000 0.000 0.301 461 R C -0.687 175.767 176.300 0.256 0.000 0.968 461 R CA -0.518 55.671 56.100 0.149 0.000 0.872 461 R CB 2.177 32.555 30.300 0.130 0.000 1.177 461 R HN 0.688 nan 8.270 nan 0.000 0.444 462 T N 1.296 116.001 114.554 0.252 0.000 2.671 462 T HA 0.337 4.687 4.350 -0.000 0.000 0.300 462 T C -1.777 173.005 174.700 0.137 0.000 1.238 462 T CA -0.686 61.622 62.100 0.347 0.000 1.020 462 T CB 1.156 70.295 68.868 0.451 0.000 1.503 462 T HN 0.316 nan 8.240 nan 0.000 0.497 463 L N 2.404 123.543 121.223 -0.140 0.000 2.313 463 L HA 0.696 5.036 4.340 -0.000 0.000 0.282 463 L C 0.583 177.293 176.870 -0.267 0.000 1.092 463 L CA 0.269 54.775 54.840 -0.557 0.000 0.831 463 L CB 0.192 41.300 42.059 -1.584 0.000 1.159 463 L HN 0.699 nan 8.230 nan 0.000 0.442 464 G N 6.439 115.099 108.800 -0.233 0.000 2.353 464 G HA2 0.566 4.526 3.960 -0.000 0.000 0.284 464 G HA3 0.566 4.526 3.960 -0.000 0.000 0.284 464 G C -0.720 174.122 174.900 -0.096 0.000 1.172 464 G CA -0.458 44.584 45.100 -0.097 0.000 0.854 464 G HN 0.648 nan 8.290 nan 0.000 0.485 465 I N 2.192 122.768 120.570 0.011 0.000 2.468 465 I HA 0.374 4.544 4.170 -0.000 0.000 0.284 465 I C -0.025 176.162 176.117 0.118 0.000 1.038 465 I CA -0.592 60.743 61.300 0.059 0.000 1.083 465 I CB 2.268 40.341 38.000 0.123 0.000 1.223 465 I HN 0.603 nan 8.210 nan 0.000 0.443 466 T N 2.988 117.568 114.554 0.044 0.000 2.896 466 T HA 0.645 4.995 4.350 -0.000 0.000 0.297 466 T C -0.257 174.379 174.700 -0.107 0.000 1.108 466 T CA -0.817 61.260 62.100 -0.037 0.000 1.004 466 T CB 1.728 70.559 68.868 -0.063 0.000 1.159 466 T HN 0.250 nan 8.240 nan 0.000 0.499 467 I N 2.089 122.485 120.570 -0.290 0.000 2.618 467 I HA 0.346 4.516 4.170 -0.000 0.000 0.284 467 I C 1.372 177.385 176.117 -0.173 0.000 1.146 467 I CA -0.509 60.633 61.300 -0.263 0.000 1.425 467 I CB 0.431 38.212 38.000 -0.364 0.000 1.383 467 I HN 0.963 nan 8.210 nan 0.000 0.562 468 A N 7.350 130.076 122.820 -0.157 0.000 2.566 468 A HA -0.017 4.303 4.320 -0.000 0.000 0.245 468 A C 1.737 179.239 177.584 -0.136 0.000 1.056 468 A CA -0.056 51.889 52.037 -0.155 0.000 0.757 468 A CB 0.024 18.913 19.000 -0.186 0.000 0.979 468 A HN 0.984 nan 8.150 nan 0.000 0.508 469 R N 2.118 122.545 120.500 -0.122 0.000 2.119 469 R HA -0.262 4.078 4.340 -0.000 0.000 0.246 469 R C 0.968 177.198 176.300 -0.118 0.000 1.146 469 R CA 2.229 58.262 56.100 -0.110 0.000 0.962 469 R CB -0.484 29.760 30.300 -0.092 0.000 0.863 469 R HN 0.725 nan 8.270 nan 0.000 0.442 470 E N 0.441 120.565 120.200 -0.127 0.000 2.153 470 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 470 E C 2.000 178.501 176.600 -0.165 0.000 0.988 470 E CA 1.956 58.269 56.400 -0.146 0.000 0.811 470 E CB -0.150 29.459 29.700 -0.152 0.000 0.746 470 E HN 0.412 nan 8.360 nan 0.000 0.466 471 T N 0.356 114.834 114.554 -0.127 0.000 2.812 471 T HA -0.109 4.241 4.350 -0.000 0.000 0.264 471 T C 1.754 176.406 174.700 -0.080 0.000 1.042 471 T CA 1.163 63.215 62.100 -0.080 0.000 1.140 471 T CB -0.080 68.776 68.868 -0.019 0.000 0.870 471 T HN 0.075 nan 8.240 nan 0.000 0.445 472 K N 0.981 121.323 120.400 -0.098 0.000 2.057 472 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 472 K C 2.470 179.016 176.600 -0.091 0.000 1.049 472 K CA 1.152 57.386 56.287 -0.089 0.000 0.931 472 K CB -0.269 32.163 32.500 -0.113 0.000 0.714 472 K HN 0.263 nan 8.250 nan 0.000 0.440 473 A N 0.983 123.731 122.820 -0.121 0.000 1.902 473 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 473 A C 2.301 179.778 177.584 -0.179 0.000 1.181 473 A CA 1.895 53.855 52.037 -0.128 0.000 0.623 473 A CB -0.774 18.147 19.000 -0.132 0.000 0.818 473 A HN 0.470 nan 8.150 nan 0.000 0.443 474 A N -0.351 122.286 122.820 -0.304 0.000 1.930 474 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 474 A C 2.102 179.458 177.584 -0.379 0.000 1.175 474 A CA 1.352 53.035 52.037 -0.590 0.000 0.627 474 A CB -0.580 17.672 19.000 -1.246 0.000 0.815 474 A HN 0.467 nan 8.150 nan 0.000 0.443 475 L N -0.964 120.220 121.223 -0.064 0.000 2.191 475 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 475 L C 2.124 179.063 176.870 0.115 0.000 1.103 475 L CA 0.903 55.869 54.840 0.209 0.000 0.769 475 L CB -0.300 41.858 42.059 0.167 0.000 0.908 475 L HN 0.381 nan 8.230 nan 0.000 0.438 476 L N -1.973 119.264 121.223 0.024 0.000 2.470 476 L HA 0.172 4.512 4.340 -0.000 0.000 0.219 476 L C 2.702 179.575 176.870 0.005 0.000 1.071 476 L CA 0.400 55.255 54.840 0.026 0.000 0.850 476 L CB -0.513 41.550 42.059 0.006 0.000 1.040 476 L HN 0.082 nan 8.230 nan 0.000 0.475 477 A N 1.230 124.025 122.820 -0.041 0.000 1.906 477 A HA -0.276 4.044 4.320 -0.000 0.000 0.222 477 A C 1.634 179.209 177.584 -0.016 0.000 1.282 477 A CA 2.433 54.441 52.037 -0.049 0.000 0.675 477 A CB -0.610 18.330 19.000 -0.100 0.000 0.838 477 A HN 0.538 nan 8.150 nan 0.000 0.469 478 N N -0.210 118.495 118.700 0.007 0.000 2.328 478 N HA 0.213 4.953 4.740 -0.000 0.000 0.247 478 N C 0.303 175.839 175.510 0.044 0.000 1.165 478 N CA 0.600 53.664 53.050 0.023 0.000 0.873 478 N CB 0.607 39.109 38.487 0.025 0.000 1.125 478 N HN 0.450 nan 8.380 nan 0.000 0.513 479 G N -0.039 108.792 108.800 0.052 0.000 2.448 479 G HA2 0.178 4.138 3.960 -0.000 0.000 0.285 479 G HA3 0.178 4.138 3.960 -0.000 0.000 0.285 479 G C -0.309 174.626 174.900 0.058 0.000 1.176 479 G CA -0.157 44.986 45.100 0.072 0.000 0.852 479 G HN 0.042 nan 8.290 nan 0.000 0.530 480 S N -0.139 115.600 115.700 0.066 0.000 2.465 480 S HA 0.384 4.854 4.470 -0.000 0.000 0.279 480 S C 0.128 174.759 174.600 0.052 0.000 1.201 480 S CA -0.607 57.623 58.200 0.051 0.000 1.053 480 S CB 0.442 63.672 63.200 0.051 0.000 0.953 480 S HN 0.407 nan 8.310 nan 0.000 0.488 481 V N 5.651 125.587 119.914 0.037 0.000 2.407 481 V HA 0.481 4.601 4.120 -0.000 0.000 0.278 481 V C 0.142 176.249 176.094 0.021 0.000 1.037 481 V CA -0.461 61.858 62.300 0.032 0.000 0.900 481 V CB 1.564 33.402 31.823 0.025 0.000 0.983 481 V HN 0.917 nan 8.190 nan 0.000 0.459 482 T N 4.300 118.864 114.554 0.017 0.000 2.890 482 T HA 0.677 5.027 4.350 -0.000 0.000 0.295 482 T C -0.085 174.602 174.700 -0.022 0.000 0.993 482 T CA -0.256 61.845 62.100 0.002 0.000 0.979 482 T CB 1.544 70.417 68.868 0.009 0.000 0.967 482 T HN 0.904 nan 8.240 nan 0.000 0.441 483 A N 3.087 125.887 122.820 -0.033 0.000 2.295 483 A HA 0.812 5.132 4.320 -0.000 0.000 0.318 483 A C -0.184 177.338 177.584 -0.103 0.000 1.134 483 A CA -0.710 51.292 52.037 -0.058 0.000 0.827 483 A CB 0.662 19.645 19.000 -0.028 0.000 1.136 483 A HN 0.628 nan 8.150 nan 0.000 0.493 484 E N 1.153 121.262 120.200 -0.151 0.000 2.195 484 E HA 0.286 4.636 4.350 -0.000 0.000 0.271 484 E C -0.718 175.859 176.600 -0.038 0.000 0.923 484 E CA -0.728 55.572 56.400 -0.166 0.000 0.790 484 E CB 1.316 30.770 29.700 -0.410 0.000 1.155 484 E HN 0.600 nan 8.360 nan 0.000 0.402 485 E N 1.745 121.931 120.200 -0.024 0.000 2.414 485 E HA 0.012 4.362 4.350 -0.000 0.000 0.263 485 E C -0.401 176.190 176.600 -0.015 0.000 1.000 485 E CA 0.073 56.461 56.400 -0.020 0.000 0.914 485 E CB 0.524 30.203 29.700 -0.036 0.000 0.948 485 E HN 0.264 nan 8.360 nan 0.000 0.444 486 D N 2.097 122.497 120.400 -0.001 0.000 2.449 486 D HA 0.008 4.648 4.640 -0.000 0.000 0.236 486 D C 0.623 176.888 176.300 -0.058 0.000 1.149 486 D CA 0.822 54.831 54.000 0.014 0.000 0.878 486 D CB 0.732 41.540 40.800 0.013 0.000 1.198 486 D HN 0.286 nan 8.370 nan 0.000 0.446 487 R N -0.097 120.361 120.500 -0.070 0.000 2.710 487 R HA 0.454 4.794 4.340 -0.000 0.000 0.270 487 R C -1.520 174.748 176.300 -0.053 0.000 1.021 487 R CA -0.583 55.414 56.100 -0.171 0.000 0.889 487 R CB 1.592 31.577 30.300 -0.525 0.000 1.243 487 R HN 0.349 nan 8.270 nan 0.000 0.464 488 T N 3.347 117.851 114.554 -0.083 0.000 2.863 488 T HA 0.527 4.877 4.350 -0.000 0.000 0.285 488 T C -0.873 173.777 174.700 -0.082 0.000 1.009 488 T CA -0.582 61.480 62.100 -0.064 0.000 0.989 488 T CB 1.135 69.957 68.868 -0.076 0.000 1.004 488 T HN 0.312 nan 8.240 nan 0.000 0.455 489 L N 2.878 124.029 121.223 -0.121 0.000 2.409 489 L HA 0.463 4.803 4.340 -0.000 0.000 0.272 489 L C 0.630 177.331 176.870 -0.282 0.000 0.980 489 L CA -0.595 54.154 54.840 -0.152 0.000 0.826 489 L CB 2.170 44.175 42.059 -0.091 0.000 1.268 489 L HN 0.702 nan 8.230 nan 0.000 0.407 490 Q N 0.390 120.167 119.800 -0.039 0.000 2.652 490 Q HA 0.121 4.461 4.340 -0.000 0.000 0.211 490 Q C 0.576 176.715 176.000 0.230 0.000 0.858 490 Q CA 0.171 56.015 55.803 0.067 0.000 0.895 490 Q CB 0.473 29.229 28.738 0.030 0.000 1.194 490 Q HN 0.788 nan 8.270 nan 0.000 0.645 491 T N -0.133 114.504 114.554 0.138 0.000 2.813 491 T HA 0.488 4.838 4.350 -0.000 0.000 0.297 491 T C 0.301 175.086 174.700 0.142 0.000 1.036 491 T CA -0.353 61.810 62.100 0.106 0.000 1.044 491 T CB 0.894 69.797 68.868 0.057 0.000 0.993 491 T HN 0.267 nan 8.240 nan 0.000 0.535 492 A N 1.051 123.897 122.820 0.044 0.000 2.488 492 A HA 0.610 4.930 4.320 -0.000 0.000 0.249 492 A C 0.517 178.143 177.584 0.069 0.000 1.083 492 A CA -0.097 51.943 52.037 0.005 0.000 0.768 492 A CB -0.957 18.029 19.000 -0.023 0.000 1.017 492 A HN 1.741 nan 8.150 nan 0.000 0.496 493 A N 1.721 124.602 122.820 0.103 0.000 2.605 493 A HA 0.607 4.927 4.320 -0.000 0.000 0.294 493 A C -1.294 176.408 177.584 0.197 0.000 1.062 493 A CA -0.389 51.726 52.037 0.130 0.000 0.682 493 A CB 1.172 20.237 19.000 0.109 0.000 1.278 493 A HN 1.386 nan 8.150 nan 0.000 0.410 494 V N 1.787 121.814 119.914 0.189 0.000 2.380 494 V HA 0.483 4.603 4.120 -0.000 0.000 0.286 494 V C -0.711 175.493 176.094 0.184 0.000 1.015 494 V CA -0.473 61.962 62.300 0.225 0.000 0.834 494 V CB 1.286 33.217 31.823 0.179 0.000 1.009 494 V HN 0.744 nan 8.190 nan 0.000 0.428 495 V N 7.466 127.524 119.914 0.239 0.000 2.357 495 V HA 0.430 4.550 4.120 -0.000 0.000 0.284 495 V C -2.068 174.223 176.094 0.329 0.000 1.018 495 V CA -1.963 60.486 62.300 0.249 0.000 0.841 495 V CB 1.939 33.892 31.823 0.218 0.000 0.991 495 V HN 0.646 nan 8.190 nan 0.000 0.437 496 P HA 0.132 nan 4.420 nan 0.000 0.269 496 P C -0.368 177.152 177.300 0.366 0.000 1.209 496 P CA -0.178 63.040 63.100 0.197 0.000 0.776 496 P CB 0.643 32.410 31.700 0.112 0.000 0.876 497 F N 1.147 121.125 119.950 0.047 0.000 2.535 497 F HA 0.118 4.645 4.527 0.000 0.000 0.332 497 F C 2.076 177.906 175.800 0.050 0.000 1.208 497 F CA -0.538 57.486 58.000 0.041 0.000 1.330 497 F CB -0.830 38.118 39.000 -0.086 0.000 1.167 497 F HN 0.429 nan 8.300 nan 0.000 0.597 498 A N 1.205 124.145 122.820 0.199 0.000 1.902 498 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 498 A C 0.731 178.373 177.584 0.098 0.000 1.181 498 A CA 1.353 53.456 52.037 0.110 0.000 0.623 498 A CB -0.421 18.611 19.000 0.053 0.000 0.818 498 A HN 0.697 nan 8.150 nan 0.000 0.443 499 Q N -0.364 119.503 119.800 0.110 0.000 2.271 499 Q HA 0.525 4.865 4.340 -0.000 0.000 0.268 499 Q C -1.562 174.497 176.000 0.098 0.000 1.021 499 Q CA -0.422 55.427 55.803 0.077 0.000 0.802 499 Q CB 1.707 30.472 28.738 0.045 0.000 1.282 499 Q HN 0.319 nan 8.270 nan 0.000 0.431 500 S N 3.753 119.477 115.700 0.039 0.000 2.638 500 S HA 0.662 5.132 4.470 -0.000 0.000 0.298 500 S C -2.415 172.140 174.600 -0.075 0.000 1.111 500 S CA -1.022 57.152 58.200 -0.044 0.000 1.027 500 S CB 1.367 64.499 63.200 -0.113 0.000 1.064 500 S HN 0.606 nan 8.310 nan 0.000 0.525 501 P HA 0.156 nan 4.420 nan 0.000 0.273 501 P C -0.046 177.234 177.300 -0.034 0.000 1.250 501 P CA -0.277 62.763 63.100 -0.101 0.000 0.793 501 P CB 0.481 32.059 31.700 -0.204 0.000 1.011 502 S N -1.921 113.799 115.700 0.033 0.000 2.593 502 S HA 0.255 4.725 4.470 -0.000 0.000 0.236 502 S C 0.497 175.156 174.600 0.099 0.000 0.991 502 S CA -0.241 57.991 58.200 0.052 0.000 0.963 502 S CB -0.578 62.652 63.200 0.050 0.000 0.865 502 S HN 0.643 nan 8.310 nan 0.000 0.488 503 S N 0.642 116.431 115.700 0.149 0.000 2.685 503 S HA 0.561 5.031 4.470 -0.000 0.000 0.282 503 S C -0.720 174.029 174.600 0.248 0.000 1.159 503 S CA -1.036 57.303 58.200 0.231 0.000 0.833 503 S CB 1.230 64.642 63.200 0.354 0.000 1.151 503 S HN 0.152 nan 8.310 nan 0.000 0.485 504 K N 0.349 120.807 120.400 0.097 0.000 2.675 504 K HA 0.314 4.634 4.320 -0.000 0.000 0.213 504 K C -1.393 174.916 176.600 -0.485 0.000 1.074 504 K CA 0.074 56.306 56.287 -0.092 0.000 1.172 504 K CB -0.321 32.037 32.500 -0.236 0.000 0.927 504 K HN 0.480 nan 8.250 nan 0.000 0.471 505 F N 1.843 121.915 119.950 0.203 0.000 2.532 505 F HA 0.353 4.880 4.527 -0.000 0.000 0.365 505 F C -0.387 175.523 175.800 0.184 0.000 1.112 505 F CA -1.294 56.752 58.000 0.077 0.000 1.082 505 F CB 0.597 39.650 39.000 0.088 0.000 1.319 505 F HN -0.024 nan 8.300 nan 0.000 0.457 506 F N -0.080 119.962 119.950 0.153 0.000 2.817 506 F HA 0.846 5.373 4.527 -0.000 0.000 0.317 506 F C -2.100 173.754 175.800 0.090 0.000 1.168 506 F CA -1.656 56.414 58.000 0.116 0.000 0.911 506 F CB 1.100 40.144 39.000 0.074 0.000 1.337 506 F HN -0.141 nan 8.300 nan 0.000 0.464 507 V N 2.620 122.731 119.914 0.328 0.000 2.407 507 V HA 0.516 4.636 4.120 -0.000 0.000 0.291 507 V C -1.088 175.175 176.094 0.282 0.000 1.018 507 V CA -0.540 61.884 62.300 0.206 0.000 0.842 507 V CB 1.347 33.248 31.823 0.130 0.000 0.996 507 V HN 0.798 nan 8.190 nan 0.000 0.426 508 L N 6.176 127.559 121.223 0.266 0.000 2.289 508 L HA 0.859 5.199 4.340 -0.000 0.000 0.285 508 L C 0.293 177.206 176.870 0.071 0.000 1.049 508 L CA 0.564 55.496 54.840 0.153 0.000 0.804 508 L CB 1.711 43.833 42.059 0.104 0.000 1.195 508 L HN 0.840 nan 8.230 nan 0.000 0.428 509 T N 2.600 117.179 114.554 0.041 0.000 2.876 509 T HA 0.985 5.335 4.350 -0.000 0.000 0.289 509 T C -0.560 174.185 174.700 0.075 0.000 1.014 509 T CA -0.274 61.863 62.100 0.062 0.000 0.986 509 T CB 1.731 70.636 68.868 0.062 0.000 1.021 509 T HN 1.131 nan 8.240 nan 0.000 0.458 510 A N 2.027 124.935 122.820 0.147 0.000 2.599 510 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 510 A C -1.719 176.004 177.584 0.231 0.000 1.055 510 A CA -1.079 51.115 52.037 0.261 0.000 0.683 510 A CB 1.448 20.759 19.000 0.518 0.000 1.278 510 A HN 0.792 nan 8.150 nan 0.000 0.412 511 Q N 0.477 120.395 119.800 0.197 0.000 2.330 511 Q HA 0.623 4.963 4.340 -0.000 0.000 0.269 511 Q C -1.689 174.290 176.000 -0.035 0.000 1.022 511 Q CA -0.757 55.087 55.803 0.067 0.000 0.796 511 Q CB 2.366 31.121 28.738 0.028 0.000 1.271 511 Q HN 0.514 nan 8.270 nan 0.000 0.450 512 L N 2.368 123.467 121.223 -0.207 0.000 2.313 512 L HA 0.367 4.707 4.340 -0.000 0.000 0.283 512 L C -0.382 176.041 176.870 -0.745 0.000 1.013 512 L CA -0.046 54.438 54.840 -0.593 0.000 0.816 512 L CB 1.637 43.269 42.059 -0.711 0.000 1.236 512 L HN 0.538 nan 8.230 nan 0.000 0.419 513 E N 3.371 123.123 120.200 -0.746 0.000 2.158 513 E HA 0.538 4.888 4.350 -0.000 0.000 0.271 513 E C -1.354 174.882 176.600 -0.606 0.000 0.911 513 E CA -0.419 55.661 56.400 -0.533 0.000 0.767 513 E CB 1.500 31.040 29.700 -0.266 0.000 1.120 513 E HN 0.203 nan 8.360 nan 0.000 0.405 514 F N 3.232 123.162 119.950 -0.033 0.000 2.492 514 F HA 0.429 4.956 4.527 0.000 0.000 0.327 514 F C -1.896 173.891 175.800 -0.022 0.000 1.079 514 F CA -2.547 55.462 58.000 0.015 0.000 0.967 514 F CB 0.961 40.093 39.000 0.221 0.000 1.169 514 F HN 0.274 nan 8.300 nan 0.000 0.472 515 P HA 0.226 nan 4.420 nan 0.000 0.279 515 P C 0.023 177.313 177.300 -0.016 0.000 1.252 515 P CA -0.250 62.873 63.100 0.039 0.000 0.811 515 P CB 1.432 33.140 31.700 0.013 0.000 1.035 516 A N 2.472 125.274 122.820 -0.031 0.000 1.958 516 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 516 A C 2.160 179.665 177.584 -0.131 0.000 1.178 516 A CA 2.638 54.634 52.037 -0.069 0.000 0.642 516 A CB -1.851 17.126 19.000 -0.038 0.000 0.816 516 A HN 0.694 nan 8.150 nan 0.000 0.453 517 S N -0.238 115.400 115.700 -0.104 0.000 2.469 517 S HA 0.135 4.605 4.470 -0.000 0.000 0.238 517 S C 1.818 176.305 174.600 -0.190 0.000 0.998 517 S CA 1.061 59.191 58.200 -0.116 0.000 0.957 517 S CB -0.501 62.659 63.200 -0.066 0.000 0.764 517 S HN 0.924 nan 8.310 nan 0.000 0.514 518 A N 2.112 124.761 122.820 -0.284 0.000 2.066 518 A HA 0.093 4.413 4.320 -0.000 0.000 0.218 518 A C 2.304 179.356 177.584 -0.887 0.000 1.157 518 A CA 0.579 52.342 52.037 -0.457 0.000 0.670 518 A CB -0.463 18.309 19.000 -0.380 0.000 0.804 518 A HN 0.516 nan 8.150 nan 0.000 0.453 519 R N 0.508 120.461 120.500 -0.911 0.000 2.103 519 R HA -0.137 4.203 4.340 -0.000 0.000 0.242 519 R C 2.166 178.287 176.300 -0.299 0.000 1.142 519 R CA 1.850 57.497 56.100 -0.755 0.000 0.960 519 R CB -0.406 29.678 30.300 -0.360 0.000 0.858 519 R HN 0.671 nan 8.270 nan 0.000 0.439 520 S N 0.046 115.622 115.700 -0.208 0.000 2.593 520 S HA 0.014 4.484 4.470 -0.000 0.000 0.217 520 S C 0.894 175.448 174.600 -0.077 0.000 0.966 520 S CA -0.171 57.970 58.200 -0.099 0.000 0.914 520 S CB 0.095 63.251 63.200 -0.074 0.000 0.776 520 S HN 0.244 nan 8.310 nan 0.000 0.523 521 S N 1.607 117.244 115.700 -0.106 0.000 2.672 521 S HA 0.506 4.976 4.470 -0.000 0.000 0.276 521 S C -2.733 171.858 174.600 -0.015 0.000 1.207 521 S CA -1.298 56.868 58.200 -0.057 0.000 1.002 521 S CB 0.781 63.944 63.200 -0.061 0.000 0.998 521 S HN 0.019 nan 8.310 nan 0.000 0.542 522 P HA 0.248 nan 4.420 nan 0.000 0.253 522 P C 0.053 177.338 177.300 -0.025 0.000 1.508 522 P CA -0.360 62.730 63.100 -0.017 0.000 0.883 522 P CB -0.225 31.457 31.700 -0.030 0.000 1.519 523 L N 0.564 121.792 121.223 0.009 0.000 2.525 523 L HA 0.013 4.353 4.340 -0.000 0.000 0.278 523 L C -0.218 176.646 176.870 -0.010 0.000 1.218 523 L CA 0.785 55.633 54.840 0.014 0.000 0.878 523 L CB 0.201 42.339 42.059 0.131 0.000 1.127 523 L HN 0.085 nan 8.230 nan 0.000 0.492 524 Q N 4.185 123.927 119.800 -0.096 0.000 2.269 524 Q HA 0.426 4.766 4.340 -0.000 0.000 0.263 524 Q C -1.522 174.365 176.000 -0.189 0.000 0.983 524 Q CA -0.568 55.178 55.803 -0.094 0.000 0.777 524 Q CB 2.182 30.765 28.738 -0.258 0.000 1.273 524 Q HN 0.654 nan 8.270 nan 0.000 0.440 525 S N 0.537 116.306 115.700 0.116 0.000 2.547 525 S HA 0.947 5.417 4.470 -0.000 0.000 0.281 525 S C -0.292 174.522 174.600 0.357 0.000 1.118 525 S CA -0.273 58.019 58.200 0.153 0.000 0.947 525 S CB 1.966 65.380 63.200 0.357 0.000 1.053 525 S HN 0.872 nan 8.310 nan 0.000 0.482 526 G N 1.396 110.416 108.800 0.367 0.000 2.623 526 G HA2 0.571 4.531 3.960 -0.000 0.000 0.085 526 G HA3 0.571 4.531 3.960 -0.000 0.000 0.085 526 G C -2.060 172.798 174.900 -0.070 0.000 1.116 526 G CA -0.431 44.869 45.100 0.333 0.000 1.200 526 G HN 0.518 nan 8.290 nan 0.000 0.556 527 F N 0.409 120.664 119.950 0.508 0.000 2.668 527 F HA 0.619 5.146 4.527 -0.000 0.000 0.309 527 F C -0.532 175.368 175.800 0.166 0.000 1.117 527 F CA -0.801 57.358 58.000 0.264 0.000 0.951 527 F CB 2.291 41.345 39.000 0.089 0.000 1.323 527 F HN 0.276 nan 8.300 nan 0.000 0.451 528 E N 2.497 122.837 120.200 0.234 0.000 2.183 528 E HA 0.721 5.071 4.350 -0.000 0.000 0.271 528 E C -1.055 175.558 176.600 0.021 0.000 0.919 528 E CA -0.771 55.679 56.400 0.084 0.000 0.781 528 E CB 2.842 32.548 29.700 0.010 0.000 1.140 528 E HN 0.578 nan 8.360 nan 0.000 0.402 529 I N -1.532 119.058 120.570 0.034 0.000 3.239 529 I HA 0.426 4.596 4.170 -0.000 0.000 0.314 529 I C -0.144 176.004 176.117 0.051 0.000 1.126 529 I CA -1.299 60.015 61.300 0.023 0.000 0.973 529 I CB 1.291 39.369 38.000 0.129 0.000 1.252 529 I HN 0.547 nan 8.210 nan 0.000 0.463 530 L N 0.531 121.805 121.223 0.085 0.000 3.739 530 L HA -0.225 4.115 4.340 -0.000 0.000 0.442 530 L C 0.086 176.996 176.870 0.066 0.000 1.241 530 L CA 0.589 55.487 54.840 0.097 0.000 0.819 530 L CB -1.712 40.410 42.059 0.105 0.000 1.679 530 L HN 0.876 nan 8.230 nan 0.000 0.889 531 A N -0.102 122.734 122.820 0.027 0.000 2.356 531 A HA 0.942 5.262 4.320 -0.000 0.000 0.323 531 A C 0.232 177.828 177.584 0.020 0.000 1.119 531 A CA 0.407 52.457 52.037 0.022 0.000 0.790 531 A CB 1.882 20.878 19.000 -0.007 0.000 1.273 531 A HN 0.485 nan 8.150 nan 0.000 0.452 532 S N -0.192 115.524 115.700 0.028 0.000 2.873 532 S HA 0.383 4.853 4.470 -0.000 0.000 0.303 532 S C 0.688 175.287 174.600 -0.001 0.000 1.222 532 S CA 0.261 58.465 58.200 0.007 0.000 0.923 532 S CB 0.565 63.769 63.200 0.007 0.000 1.286 532 S HN 0.731 nan 8.310 nan 0.000 0.571 533 E N -0.122 120.061 120.200 -0.029 0.000 2.106 533 E HA 0.040 4.390 4.350 -0.000 0.000 0.192 533 E C 1.206 177.801 176.600 -0.007 0.000 0.984 533 E CA 1.130 57.515 56.400 -0.025 0.000 0.806 533 E CB -0.268 29.403 29.700 -0.047 0.000 0.750 533 E HN 0.606 nan 8.360 nan 0.000 0.458 534 L N 0.339 121.561 121.223 -0.002 0.000 2.607 534 L HA 0.275 4.615 4.340 -0.000 0.000 0.228 534 L C -0.012 176.931 176.870 0.121 0.000 1.123 534 L CA 0.087 54.965 54.840 0.063 0.000 0.890 534 L CB 0.160 42.279 42.059 0.099 0.000 1.103 534 L HN -0.017 nan 8.230 nan 0.000 0.468 535 E N 0.675 120.942 120.200 0.111 0.000 2.392 535 E HA 0.632 4.982 4.350 -0.000 0.000 0.279 535 E C -0.986 175.656 176.600 0.070 0.000 0.964 535 E CA -0.903 55.566 56.400 0.116 0.000 0.777 535 E CB 2.719 32.537 29.700 0.196 0.000 1.249 535 E HN 0.081 nan 8.360 nan 0.000 0.449 536 R N -0.462 120.068 120.500 0.049 0.000 2.728 536 R HA 0.495 4.835 4.340 -0.000 0.000 0.259 536 R C -1.798 174.511 176.300 0.016 0.000 1.057 536 R CA -0.728 55.388 56.100 0.026 0.000 0.908 536 R CB 1.494 31.794 30.300 0.001 0.000 1.259 536 R HN 0.379 nan 8.270 nan 0.000 0.472 537 T N 1.393 115.959 114.554 0.019 0.000 2.841 537 T HA 0.705 5.055 4.350 -0.000 0.000 0.285 537 T C -0.803 173.915 174.700 0.030 0.000 0.991 537 T CA -0.464 61.646 62.100 0.017 0.000 0.966 537 T CB 1.596 70.478 68.868 0.023 0.000 0.962 537 T HN 0.721 nan 8.240 nan 0.000 0.438 538 A N 3.711 126.548 122.820 0.028 0.000 2.305 538 A HA 0.877 5.197 4.320 -0.000 0.000 0.322 538 A C -0.523 177.135 177.584 0.122 0.000 1.187 538 A CA -0.704 51.379 52.037 0.076 0.000 0.825 538 A CB 0.365 19.374 19.000 0.016 0.000 1.164 538 A HN 0.874 nan 8.150 nan 0.000 0.498 539 I N 3.051 123.757 120.570 0.228 0.000 2.468 539 I HA 0.463 4.633 4.170 -0.000 0.000 0.285 539 I C -1.189 175.144 176.117 0.359 0.000 1.039 539 I CA -0.462 60.940 61.300 0.169 0.000 1.074 539 I CB 1.401 39.529 38.000 0.212 0.000 1.228 539 I HN 0.797 nan 8.210 nan 0.000 0.436 540 Y N 4.493 124.941 120.300 0.247 0.000 2.625 540 Y HA 0.586 5.136 4.550 -0.000 0.000 0.338 540 Y C -1.632 174.379 175.900 0.185 0.000 1.123 540 Y CA -1.586 56.695 58.100 0.303 0.000 1.046 540 Y CB 0.883 39.625 38.460 0.469 0.000 1.299 540 Y HN 0.416 nan 8.280 nan 0.000 0.464 541 Y N 2.128 122.575 120.300 0.245 0.000 2.334 541 Y HA 0.530 5.080 4.550 0.000 0.000 0.328 541 Y C -0.518 175.369 175.900 -0.022 0.000 1.130 541 Y CA -0.518 57.567 58.100 -0.025 0.000 1.163 541 Y CB 1.599 39.990 38.460 -0.116 0.000 1.207 541 Y HN 0.818 nan 8.280 nan 0.000 0.471 542 Q N 4.826 124.105 119.800 -0.868 0.000 2.292 542 Q HA 0.281 4.621 4.340 -0.000 0.000 0.270 542 Q C -0.852 174.640 176.000 -0.847 0.000 1.024 542 Q CA -0.521 54.965 55.803 -0.530 0.000 0.768 542 Q CB 0.887 29.508 28.738 -0.195 0.000 1.250 542 Q HN 0.875 nan 8.270 nan 0.000 0.447 543 F N 0.731 120.438 119.950 -0.405 0.000 2.293 543 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 543 F C 2.441 178.130 175.800 -0.186 0.000 1.089 543 F CA 1.404 59.248 58.000 -0.260 0.000 1.377 543 F CB 0.033 38.945 39.000 -0.148 0.000 1.051 543 F HN 0.688 nan 8.300 nan 0.000 0.511 544 S N 0.982 116.692 115.700 0.018 0.000 2.400 544 S HA -0.282 4.188 4.470 -0.000 0.000 0.234 544 S C 1.242 175.815 174.600 -0.044 0.000 1.049 544 S CA 1.805 60.000 58.200 -0.009 0.000 1.039 544 S CB -0.819 62.367 63.200 -0.024 0.000 0.856 544 S HN 0.596 nan 8.310 nan 0.000 0.465 545 N N 0.210 118.838 118.700 -0.121 0.000 2.387 545 N HA 0.092 4.832 4.740 -0.000 0.000 0.259 545 N C -1.024 174.341 175.510 -0.242 0.000 1.369 545 N CA -0.005 52.954 53.050 -0.152 0.000 0.867 545 N CB -0.848 37.544 38.487 -0.159 0.000 1.341 545 N HN 0.530 nan 8.380 nan 0.000 0.495 546 E N 0.351 120.393 120.200 -0.263 0.000 2.131 546 E HA -0.190 4.160 4.350 -0.000 0.000 0.166 546 E C -1.016 175.301 176.600 -0.471 0.000 1.514 546 E CA 0.687 56.881 56.400 -0.345 0.000 0.646 546 E CB -1.342 28.358 29.700 0.000 0.000 1.051 546 E HN 0.437 nan 8.360 nan 0.000 0.315 547 S N 0.591 115.850 115.700 -0.734 0.000 2.569 547 S HA 0.564 5.034 4.470 -0.000 0.000 0.280 547 S C -0.322 173.924 174.600 -0.589 0.000 1.111 547 S CA -0.828 57.027 58.200 -0.575 0.000 0.887 547 S CB 1.605 64.541 63.200 -0.441 0.000 1.095 547 S HN 0.258 nan 8.310 nan 0.000 0.476 548 L N 2.482 123.462 121.223 -0.404 0.000 2.289 548 L HA 0.647 4.987 4.340 -0.000 0.000 0.285 548 L C -0.998 175.724 176.870 -0.246 0.000 1.049 548 L CA -0.577 54.110 54.840 -0.255 0.000 0.804 548 L CB 1.320 43.228 42.059 -0.252 0.000 1.195 548 L HN 0.355 nan 8.230 nan 0.000 0.428 549 V N 4.055 123.743 119.914 -0.376 0.000 2.680 549 V HA 0.440 4.560 4.120 -0.000 0.000 0.309 549 V C -0.316 175.531 176.094 -0.411 0.000 1.052 549 V CA -0.712 61.315 62.300 -0.455 0.000 0.908 549 V CB 2.385 33.754 31.823 -0.757 0.000 1.001 549 V HN 0.367 nan 8.190 nan 0.000 0.431 550 V N 2.869 122.653 119.914 -0.217 0.000 2.325 550 V HA 0.321 4.441 4.120 -0.000 0.000 0.280 550 V C -0.398 175.641 176.094 -0.092 0.000 1.016 550 V CA -0.449 61.777 62.300 -0.124 0.000 0.818 550 V CB 1.414 33.205 31.823 -0.054 0.000 1.019 550 V HN 0.921 nan 8.190 nan 0.000 0.434 551 D N 4.666 125.030 120.400 -0.061 0.000 2.336 551 D HA 0.211 4.851 4.640 -0.000 0.000 0.249 551 D C 0.801 177.088 176.300 -0.021 0.000 1.213 551 D CA -0.185 53.816 54.000 0.002 0.000 0.870 551 D CB 0.873 41.734 40.800 0.102 0.000 1.076 551 D HN 0.460 nan 8.370 nan 0.000 0.483 552 R N 1.802 122.272 120.500 -0.050 0.000 2.507 552 R HA 0.045 4.385 4.340 -0.000 0.000 0.298 552 R C 1.831 178.088 176.300 -0.072 0.000 0.999 552 R CA -0.031 56.022 56.100 -0.078 0.000 1.082 552 R CB 0.328 30.539 30.300 -0.149 0.000 1.246 552 R HN 0.369 nan 8.270 nan 0.000 0.553 553 S N 0.469 116.144 115.700 -0.042 0.000 2.442 553 S HA -0.185 4.285 4.470 -0.000 0.000 0.236 553 S C 1.503 176.084 174.600 -0.031 0.000 1.007 553 S CA 0.979 59.159 58.200 -0.034 0.000 0.965 553 S CB 0.063 63.254 63.200 -0.015 0.000 0.773 553 S HN 0.368 nan 8.310 nan 0.000 0.504 554 Q N -0.307 119.479 119.800 -0.023 0.000 2.139 554 Q HA 0.248 4.588 4.340 -0.000 0.000 0.219 554 Q C 0.995 177.000 176.000 0.007 0.000 0.805 554 Q CA 0.081 55.880 55.803 -0.008 0.000 1.024 554 Q CB 0.576 29.311 28.738 -0.005 0.000 1.163 554 Q HN 0.476 nan 8.270 nan 0.000 0.485 555 T N 0.156 114.704 114.554 -0.009 0.000 2.720 555 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 555 T C 0.900 175.627 174.700 0.044 0.000 1.037 555 T CA 1.247 63.351 62.100 0.006 0.000 1.144 555 T CB 0.054 68.902 68.868 -0.034 0.000 0.864 555 T HN 0.065 nan 8.240 nan 0.000 0.444 556 S N -0.492 115.222 115.700 0.023 0.000 2.552 556 S HA 0.624 5.094 4.470 -0.000 0.000 0.314 556 S C 0.940 175.564 174.600 0.041 0.000 1.099 556 S CA -0.410 57.830 58.200 0.067 0.000 1.070 556 S CB 1.289 64.506 63.200 0.029 0.000 0.998 556 S HN 0.285 nan 8.310 nan 0.000 0.474 557 A N 4.084 126.950 122.820 0.076 0.000 2.125 557 A HA 0.174 4.494 4.320 -0.000 0.000 0.219 557 A C 1.939 179.440 177.584 -0.139 0.000 1.156 557 A CA 1.598 53.635 52.037 0.001 0.000 0.671 557 A CB -0.600 18.439 19.000 0.064 0.000 0.794 557 A HN 1.150 nan 8.150 nan 0.000 0.459 558 A N -0.932 121.795 122.820 -0.154 0.000 2.238 558 A HA 0.513 4.833 4.320 -0.000 0.000 0.210 558 A C 2.183 179.677 177.584 -0.151 0.000 1.179 558 A CA 1.091 52.986 52.037 -0.237 0.000 0.827 558 A CB -0.503 18.356 19.000 -0.234 0.000 0.856 558 A HN 0.789 nan 8.150 nan 0.000 0.488 559 A N 1.277 124.035 122.820 -0.104 0.000 1.902 559 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 559 A C 0.183 177.707 177.584 -0.100 0.000 1.181 559 A CA 1.682 53.655 52.037 -0.107 0.000 0.623 559 A CB -1.572 17.370 19.000 -0.097 0.000 0.818 559 A HN 0.413 nan 8.150 nan 0.000 0.443 560 P HA -0.159 nan 4.420 nan 0.000 0.217 560 P C 1.357 178.605 177.300 -0.086 0.000 1.151 560 P CA 2.228 65.282 63.100 -0.078 0.000 0.849 560 P CB -0.185 31.473 31.700 -0.070 0.000 0.787 561 T N -6.682 107.806 114.554 -0.110 0.000 3.069 561 T HA 0.195 4.545 4.350 -0.000 0.000 0.252 561 T C 0.351 174.978 174.700 -0.121 0.000 1.053 561 T CA -0.265 61.767 62.100 -0.114 0.000 0.964 561 T CB -0.664 68.123 68.868 -0.134 0.000 1.005 561 T HN -0.016 nan 8.240 nan 0.000 0.532 562 N N 2.533 121.156 118.700 -0.127 0.000 2.716 562 N HA 0.316 5.056 4.740 -0.000 0.000 0.253 562 N C -2.262 173.177 175.510 -0.118 0.000 1.170 562 N CA -1.616 51.353 53.050 -0.135 0.000 0.807 562 N CB 2.093 40.478 38.487 -0.170 0.000 1.183 562 N HN 0.023 nan 8.380 nan 0.000 0.524 563 P HA -0.155 nan 4.420 nan 0.000 0.221 563 P C 1.354 178.622 177.300 -0.053 0.000 1.145 563 P CA 1.004 64.067 63.100 -0.063 0.000 0.795 563 P CB 0.277 31.952 31.700 -0.042 0.000 0.775 564 G N -0.069 108.696 108.800 -0.058 0.000 2.470 564 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.220 564 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.220 564 G C 0.626 175.545 174.900 0.030 0.000 1.121 564 G CA 0.180 45.285 45.100 0.009 0.000 0.766 564 G HN 0.210 nan 8.290 nan 0.000 0.553 565 L N 3.216 124.382 121.223 -0.095 0.000 2.356 565 L HA 0.217 4.557 4.340 -0.000 0.000 0.282 565 L C -0.043 176.723 176.870 -0.174 0.000 1.132 565 L CA -1.079 53.666 54.840 -0.157 0.000 0.923 565 L CB 0.413 42.337 42.059 -0.225 0.000 1.278 565 L HN 0.207 nan 8.230 nan 0.000 0.436 566 D N 0.780 121.058 120.400 -0.204 0.000 2.472 566 D HA -0.032 4.608 4.640 -0.000 0.000 0.237 566 D C 0.648 176.696 176.300 -0.420 0.000 1.141 566 D CA 0.189 54.008 54.000 -0.302 0.000 0.875 566 D CB 1.004 41.552 40.800 -0.420 0.000 1.192 566 D HN 0.458 nan 8.370 nan 0.000 0.450 567 S N 0.130 115.604 115.700 -0.377 0.000 2.900 567 S HA 0.153 4.623 4.470 -0.000 0.000 0.253 567 S C 0.358 174.796 174.600 -0.269 0.000 1.029 567 S CA -0.950 57.063 58.200 -0.310 0.000 1.096 567 S CB -0.705 62.400 63.200 -0.158 0.000 1.067 567 S HN 0.427 nan 8.310 nan 0.000 0.610 568 F N 2.292 122.171 119.950 -0.119 0.000 2.496 568 F HA 0.628 5.155 4.527 -0.000 0.000 0.344 568 F C 0.365 176.110 175.800 -0.092 0.000 1.155 568 F CA -0.808 57.124 58.000 -0.113 0.000 1.302 568 F CB -0.884 38.018 39.000 -0.163 0.000 1.159 568 F HN -0.137 nan 8.300 nan 0.000 0.595 569 T N 2.816 117.502 114.554 0.219 0.000 2.916 569 T HA 0.116 4.466 4.350 -0.000 0.000 0.303 569 T C -0.094 174.734 174.700 0.213 0.000 1.025 569 T CA -0.325 61.851 62.100 0.127 0.000 1.142 569 T CB 0.155 69.066 68.868 0.072 0.000 0.947 569 T HN 0.511 nan 8.240 nan 0.000 0.544 570 E N 1.705 121.971 120.200 0.110 0.000 2.202 570 E HA 0.618 4.968 4.350 -0.000 0.000 0.272 570 E C -0.288 176.331 176.600 0.031 0.000 0.951 570 E CA -0.585 55.897 56.400 0.135 0.000 0.813 570 E CB 2.015 31.775 29.700 0.101 0.000 1.151 570 E HN 0.755 nan 8.360 nan 0.000 0.398 571 S N -0.071 115.648 115.700 0.033 0.000 2.611 571 S HA 0.723 5.193 4.470 -0.000 0.000 0.270 571 S C -0.789 173.734 174.600 -0.129 0.000 1.131 571 S CA -0.651 57.508 58.200 -0.068 0.000 0.826 571 S CB 1.630 64.746 63.200 -0.139 0.000 1.095 571 S HN 0.583 nan 8.310 nan 0.000 0.461 572 G N 0.949 109.559 108.800 -0.317 0.000 2.706 572 G HA2 0.604 4.564 3.960 -0.000 0.000 0.297 572 G HA3 0.604 4.564 3.960 -0.000 0.000 0.297 572 G C -1.597 172.708 174.900 -0.992 0.000 1.403 572 G CA -0.909 43.560 45.100 -1.052 0.000 0.954 572 G HN 0.605 nan 8.290 nan 0.000 0.500 573 K N 0.500 119.960 120.400 -1.567 0.000 2.322 573 K HA 0.380 4.700 4.320 -0.000 0.000 0.283 573 K C -1.043 175.462 176.600 -0.158 0.000 1.042 573 K CA -0.479 55.400 56.287 -0.681 0.000 0.958 573 K CB 1.934 34.069 32.500 -0.607 0.000 0.984 573 K HN 0.311 nan 8.250 nan 0.000 0.473 574 L N 2.954 124.143 121.223 -0.056 0.000 2.555 574 L HA 0.257 4.597 4.340 -0.000 0.000 0.264 574 L C -0.675 176.294 176.870 0.164 0.000 0.972 574 L CA -0.329 54.551 54.840 0.068 0.000 0.876 574 L CB 1.364 43.225 42.059 -0.331 0.000 1.216 574 L HN 0.575 nan 8.230 nan 0.000 0.415 575 R N 4.978 125.593 120.500 0.192 0.000 2.265 575 R HA 0.573 4.913 4.340 -0.000 0.000 0.314 575 R C -1.291 174.767 176.300 -0.403 0.000 1.053 575 R CA -0.453 55.595 56.100 -0.087 0.000 0.931 575 R CB 0.606 30.740 30.300 -0.276 0.000 1.024 575 R HN 0.749 nan 8.270 nan 0.000 0.457 576 L N 6.518 127.598 121.223 -0.239 0.000 2.259 576 L HA 0.319 4.659 4.340 -0.000 0.000 0.288 576 L C -0.394 176.368 176.870 -0.180 0.000 1.051 576 L CA -0.576 54.156 54.840 -0.180 0.000 0.824 576 L CB 0.360 42.366 42.059 -0.087 0.000 1.206 576 L HN 0.573 nan 8.230 nan 0.000 0.429 577 F N 1.104 121.032 119.950 -0.037 0.000 2.435 577 F HA 0.081 4.608 4.527 0.000 0.000 0.316 577 F C 1.050 176.845 175.800 -0.009 0.000 1.220 577 F CA -0.132 57.836 58.000 -0.053 0.000 1.241 577 F CB 0.333 39.245 39.000 -0.148 0.000 1.234 577 F HN 0.406 nan 8.300 nan 0.000 0.569 578 D N 1.124 121.652 120.400 0.214 0.000 2.277 578 D HA 0.405 5.045 4.640 -0.000 0.000 0.249 578 D C -0.350 176.009 176.300 0.097 0.000 1.134 578 D CA 0.134 54.206 54.000 0.119 0.000 0.863 578 D CB 1.357 42.211 40.800 0.091 0.000 1.143 578 D HN 0.324 nan 8.370 nan 0.000 0.458 579 V N -0.630 119.323 119.914 0.065 0.000 3.141 579 V HA 0.592 4.712 4.120 -0.000 0.000 0.312 579 V C -0.848 175.258 176.094 0.021 0.000 1.157 579 V CA -0.962 61.359 62.300 0.036 0.000 1.041 579 V CB 2.426 34.269 31.823 0.034 0.000 1.071 579 V HN 0.220 nan 8.190 nan 0.000 0.441 580 I N 1.779 122.355 120.570 0.010 0.000 2.354 580 I HA 0.522 4.692 4.170 -0.000 0.000 0.286 580 I C 0.644 176.762 176.117 0.003 0.000 1.007 580 I CA 0.178 61.481 61.300 0.006 0.000 1.167 580 I CB 0.864 38.865 38.000 0.002 0.000 1.320 580 I HN 1.031 nan 8.210 nan 0.000 0.458 581 E N 4.387 124.589 120.200 0.003 0.000 2.134 581 E HA 0.136 4.486 4.350 -0.000 0.000 0.194 581 E C 0.544 177.143 176.600 -0.002 0.000 0.937 581 E CA 0.409 56.809 56.400 0.000 0.000 0.874 581 E CB 0.565 30.265 29.700 -0.000 0.000 0.853 581 E HN 0.471 nan 8.360 nan 0.000 0.471 582 N N -0.409 118.289 118.700 -0.002 0.000 2.535 582 N HA 0.171 4.911 4.740 -0.000 0.000 0.294 582 N C -0.130 175.378 175.510 -0.003 0.000 1.408 582 N CA 0.702 53.750 53.050 -0.003 0.000 0.927 582 N CB 1.435 39.919 38.487 -0.005 0.000 1.276 582 N HN 0.361 nan 8.380 nan 0.000 0.505 583 G N 0.640 109.439 108.800 -0.002 0.000 2.225 583 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 583 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 583 G C 0.146 175.046 174.900 -0.001 0.000 0.988 583 G CA 0.055 45.154 45.100 -0.001 0.000 0.625 583 G HN 0.477 nan 8.290 nan 0.000 0.527 584 Q N 0.547 120.346 119.800 -0.001 0.000 2.266 584 Q HA 0.571 4.911 4.340 -0.000 0.000 0.261 584 Q C -0.199 175.803 176.000 0.003 0.000 0.985 584 Q CA -0.666 55.138 55.803 0.000 0.000 0.873 584 Q CB 1.141 29.878 28.738 -0.002 0.000 1.306 584 Q HN 0.430 nan 8.270 nan 0.000 0.447 585 E N 2.550 122.754 120.200 0.005 0.000 2.283 585 E HA 0.143 4.493 4.350 -0.000 0.000 0.278 585 E C -1.184 175.423 176.600 0.012 0.000 1.027 585 E CA -0.125 56.282 56.400 0.011 0.000 0.843 585 E CB 0.863 30.571 29.700 0.013 0.000 1.062 585 E HN 0.612 nan 8.360 nan 0.000 0.401 586 Q N 1.315 121.127 119.800 0.019 0.000 2.565 586 Q HA 0.448 4.788 4.340 -0.000 0.000 0.294 586 Q C -1.498 174.527 176.000 0.042 0.000 1.005 586 Q CA -1.054 54.762 55.803 0.022 0.000 0.771 586 Q CB 1.397 30.143 28.738 0.012 0.000 1.486 586 Q HN 0.339 nan 8.270 nan 0.000 0.422 587 V N 1.757 121.706 119.914 0.058 0.000 2.530 587 V HA 0.092 4.212 4.120 -0.000 0.000 0.282 587 V C 0.325 176.469 176.094 0.084 0.000 1.048 587 V CA -0.163 62.196 62.300 0.097 0.000 0.997 587 V CB 0.998 32.922 31.823 0.169 0.000 0.987 587 V HN 0.852 nan 8.190 nan 0.000 0.477 588 E N 3.155 123.405 120.200 0.083 0.000 2.568 588 E HA -0.045 4.305 4.350 -0.000 0.000 0.262 588 E C -0.212 176.400 176.600 0.019 0.000 0.961 588 E CA -0.187 56.246 56.400 0.056 0.000 0.945 588 E CB 0.499 30.248 29.700 0.081 0.000 0.924 588 E HN 0.750 nan 8.360 nan 0.000 0.467 589 T N 4.859 119.406 114.554 -0.011 0.000 2.870 589 T HA 0.118 4.468 4.350 -0.000 0.000 0.300 589 T C -0.080 174.579 174.700 -0.068 0.000 0.989 589 T CA -0.479 61.585 62.100 -0.059 0.000 1.139 589 T CB 0.412 69.251 68.868 -0.049 0.000 0.920 589 T HN 0.357 nan 8.240 nan 0.000 0.537 590 L N 3.963 125.111 121.223 -0.125 0.000 2.295 590 L HA 0.363 4.703 4.340 -0.000 0.000 0.288 590 L C -0.253 176.595 176.870 -0.037 0.000 1.079 590 L CA -0.413 54.358 54.840 -0.115 0.000 0.830 590 L CB 0.212 42.167 42.059 -0.172 0.000 1.200 590 L HN 0.515 nan 8.230 nan 0.000 0.438 591 D N 4.974 125.380 120.400 0.010 0.000 2.443 591 D HA 0.323 4.963 4.640 -0.000 0.000 0.221 591 D C -0.786 175.576 176.300 0.103 0.000 1.097 591 D CA -0.090 53.943 54.000 0.056 0.000 0.865 591 D CB 0.390 41.222 40.800 0.052 0.000 1.034 591 D HN 0.510 nan 8.370 nan 0.000 0.511 592 L N 2.907 124.213 121.223 0.138 0.000 2.325 592 L HA 0.532 4.872 4.340 -0.000 0.000 0.279 592 L C 0.073 177.048 176.870 0.175 0.000 1.054 592 L CA -0.546 54.405 54.840 0.185 0.000 0.804 592 L CB 1.933 44.138 42.059 0.243 0.000 1.200 592 L HN 0.287 nan 8.230 nan 0.000 0.436 593 T N 2.138 116.817 114.554 0.209 0.000 2.965 593 T HA 0.391 4.741 4.350 -0.000 0.000 0.306 593 T C -0.568 174.279 174.700 0.246 0.000 0.991 593 T CA -0.356 61.853 62.100 0.182 0.000 1.001 593 T CB 1.547 70.489 68.868 0.123 0.000 0.984 593 T HN 0.157 nan 8.240 nan 0.000 0.446 594 V N 4.133 124.155 119.914 0.179 0.000 2.357 594 V HA 0.448 4.568 4.120 -0.000 0.000 0.284 594 V C -0.015 176.139 176.094 0.100 0.000 1.018 594 V CA -0.787 61.610 62.300 0.162 0.000 0.841 594 V CB 1.672 33.571 31.823 0.126 0.000 0.991 594 V HN 0.672 nan 8.190 nan 0.000 0.437 595 V N 6.066 126.045 119.914 0.108 0.000 2.370 595 V HA 0.386 4.506 4.120 -0.000 0.000 0.279 595 V C -0.061 175.966 176.094 -0.112 0.000 1.029 595 V CA -0.429 61.887 62.300 0.027 0.000 0.870 595 V CB 1.758 33.666 31.823 0.141 0.000 0.984 595 V HN 0.619 nan 8.190 nan 0.000 0.451 596 V N 4.101 123.792 119.914 -0.372 0.000 2.313 596 V HA 0.377 4.497 4.120 -0.000 0.000 0.278 596 V C -0.278 175.583 176.094 -0.390 0.000 1.017 596 V CA -0.410 61.577 62.300 -0.522 0.000 0.823 596 V CB 1.553 32.704 31.823 -1.120 0.000 1.010 596 V HN 0.842 nan 8.190 nan 0.000 0.443 597 D N 5.367 125.648 120.400 -0.197 0.000 2.485 597 D HA 0.282 4.922 4.640 -0.000 0.000 0.256 597 D C 0.702 176.881 176.300 -0.202 0.000 1.141 597 D CA 0.166 54.135 54.000 -0.051 0.000 0.942 597 D CB 0.118 41.012 40.800 0.157 0.000 1.003 597 D HN 0.546 nan 8.370 nan 0.000 0.507 598 N N 1.612 119.968 118.700 -0.573 0.000 1.258 598 N HA -0.342 4.398 4.740 -0.000 0.000 0.141 598 N C 0.914 176.351 175.510 -0.122 0.000 0.811 598 N CA 2.374 55.148 53.050 -0.460 0.000 0.960 598 N CB -1.152 37.233 38.487 -0.170 0.000 1.205 598 N HN 0.323 nan 8.380 nan 0.000 0.527 599 A N 0.192 123.087 122.820 0.124 0.000 2.119 599 A HA 0.237 4.557 4.320 -0.000 0.000 0.217 599 A C 0.735 178.331 177.584 0.020 0.000 1.153 599 A CA 1.236 53.391 52.037 0.195 0.000 0.692 599 A CB -0.109 19.159 19.000 0.446 0.000 0.799 599 A HN 0.358 nan 8.150 nan 0.000 0.458 600 V N 1.550 121.354 119.914 -0.184 0.000 2.405 600 V HA 0.245 4.365 4.120 -0.000 0.000 0.264 600 V C -0.332 175.554 176.094 -0.347 0.000 1.048 600 V CA -0.124 61.862 62.300 -0.524 0.000 0.966 600 V CB 0.779 32.140 31.823 -0.770 0.000 1.015 600 V HN 0.134 nan 8.190 nan 0.000 0.477 601 V N 5.307 125.035 119.914 -0.311 0.000 2.417 601 V HA 0.464 4.584 4.120 -0.000 0.000 0.291 601 V C -0.062 175.941 176.094 -0.153 0.000 1.024 601 V CA -0.630 61.557 62.300 -0.188 0.000 0.861 601 V CB 1.811 33.553 31.823 -0.135 0.000 0.985 601 V HN 0.891 nan 8.190 nan 0.000 0.436 602 E N 3.334 123.494 120.200 -0.066 0.000 2.216 602 E HA 0.483 4.833 4.350 -0.000 0.000 0.260 602 E C -1.406 175.186 176.600 -0.013 0.000 0.880 602 E CA -0.535 55.819 56.400 -0.076 0.000 0.765 602 E CB 2.493 32.203 29.700 0.018 0.000 1.174 602 E HN 0.451 nan 8.360 nan 0.000 0.417 603 V N 4.384 124.263 119.914 -0.059 0.000 2.350 603 V HA 0.275 4.395 4.120 -0.000 0.000 0.276 603 V C -0.810 175.337 176.094 0.089 0.000 1.028 603 V CA -0.505 61.855 62.300 0.101 0.000 0.860 603 V CB -0.129 31.797 31.823 0.172 0.000 0.990 603 V HN 0.572 nan 8.190 nan 0.000 0.453 604 Y N 2.618 123.054 120.300 0.226 0.000 2.446 604 Y HA 0.786 5.336 4.550 0.000 0.000 0.338 604 Y C 0.352 176.428 175.900 0.293 0.000 1.055 604 Y CA -0.613 57.645 58.100 0.263 0.000 1.101 604 Y CB 2.158 40.712 38.460 0.158 0.000 1.221 604 Y HN 0.688 nan 8.280 nan 0.000 0.460 605 A N 1.948 125.079 122.820 0.519 0.000 2.459 605 A HA 0.399 4.719 4.320 -0.000 0.000 0.296 605 A C -0.279 177.468 177.584 0.272 0.000 1.039 605 A CA -0.943 51.278 52.037 0.306 0.000 0.698 605 A CB 0.553 19.617 19.000 0.107 0.000 1.261 605 A HN 1.014 nan 8.150 nan 0.000 0.405 606 N N 1.134 119.937 118.700 0.171 0.000 2.686 606 N HA -0.282 4.458 4.740 -0.000 0.000 0.249 606 N C 1.011 176.619 175.510 0.163 0.000 1.082 606 N CA 1.126 54.260 53.050 0.140 0.000 0.725 606 N CB -0.657 37.900 38.487 0.118 0.000 1.009 606 N HN 2.126 nan 8.380 nan 0.000 0.545 607 G N 0.582 109.490 108.800 0.181 0.000 2.233 607 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.270 607 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.270 607 G C 0.570 175.579 174.900 0.182 0.000 1.011 607 G CA 1.194 46.387 45.100 0.156 0.000 0.762 607 G HN 0.815 nan 8.290 nan 0.000 0.511 608 R N -2.162 118.503 120.500 0.274 0.000 2.518 608 R HA 0.585 4.925 4.340 -0.000 0.000 0.419 608 R C -0.149 176.441 176.300 0.483 0.000 0.902 608 R CA -0.457 55.830 56.100 0.311 0.000 1.146 608 R CB 0.142 30.630 30.300 0.313 0.000 1.652 608 R HN 0.582 nan 8.270 nan 0.000 0.555 609 F N 1.144 121.268 119.950 0.290 0.000 2.608 609 F HA 0.764 5.291 4.527 -0.000 0.000 0.309 609 F C -1.859 174.083 175.800 0.237 0.000 1.103 609 F CA -0.635 57.561 58.000 0.326 0.000 0.954 609 F CB 2.313 41.478 39.000 0.276 0.000 1.267 609 F HN 0.116 nan 8.300 nan 0.000 0.444 610 A N 5.503 128.037 122.820 -0.477 0.000 2.459 610 A HA 0.743 5.063 4.320 -0.000 0.000 0.296 610 A C -2.623 174.621 177.584 -0.566 0.000 1.039 610 A CA -0.528 51.228 52.037 -0.468 0.000 0.698 610 A CB 1.603 20.404 19.000 -0.331 0.000 1.261 610 A HN 0.946 nan 8.150 nan 0.000 0.405 611 L N 1.944 122.945 121.223 -0.371 0.000 2.441 611 L HA 0.790 5.130 4.340 -0.000 0.000 0.270 611 L C -0.783 176.017 176.870 -0.116 0.000 0.973 611 L CA 0.190 54.935 54.840 -0.157 0.000 0.842 611 L CB 1.953 44.020 42.059 0.014 0.000 1.239 611 L HN 0.558 nan 8.230 nan 0.000 0.406 612 S N 2.547 118.185 115.700 -0.102 0.000 2.536 612 S HA 0.923 5.393 4.470 -0.000 0.000 0.298 612 S C -0.571 173.948 174.600 -0.136 0.000 1.083 612 S CA -0.521 57.593 58.200 -0.143 0.000 0.995 612 S CB 2.026 65.121 63.200 -0.175 0.000 1.058 612 S HN 0.815 nan 8.310 nan 0.000 0.488 613 T N 0.223 114.644 114.554 -0.220 0.000 2.665 613 T HA 0.552 4.902 4.350 -0.000 0.000 0.303 613 T C -2.171 172.304 174.700 -0.375 0.000 1.334 613 T CA -0.616 61.350 62.100 -0.223 0.000 1.011 613 T CB 0.412 69.227 68.868 -0.090 0.000 1.573 613 T HN 0.570 nan 8.240 nan 0.000 0.492 614 W N 1.514 122.702 121.300 -0.186 0.000 2.391 614 W HA 0.700 5.360 4.660 0.000 0.000 0.311 614 W C -0.005 176.367 176.519 -0.245 0.000 1.087 614 W CA -0.705 56.503 57.345 -0.230 0.000 1.209 614 W CB 1.483 30.766 29.460 -0.294 0.000 1.273 614 W HN 0.759 nan 8.180 nan 0.000 0.482 615 A N 4.354 127.191 122.820 0.029 0.000 2.802 615 A HA 0.445 4.765 4.320 -0.000 0.000 0.344 615 A C -0.053 177.495 177.584 -0.059 0.000 1.215 615 A CA -0.826 51.188 52.037 -0.038 0.000 0.821 615 A CB 0.080 19.061 19.000 -0.032 0.000 1.099 615 A HN 0.737 nan 8.150 nan 0.000 0.479 616 R N 2.017 122.377 120.500 -0.235 0.000 4.556 616 R HA 0.136 4.476 4.340 -0.000 0.000 0.197 616 R C 0.494 176.808 176.300 0.023 0.000 1.791 616 R CA 0.151 55.916 56.100 -0.558 0.000 1.526 616 R CB -0.087 29.331 30.300 -1.471 0.000 1.410 616 R HN 0.767 nan 8.270 nan 0.000 0.826 617 S N -0.310 115.519 115.700 0.214 0.000 2.584 617 S HA -0.003 4.467 4.470 -0.000 0.000 0.270 617 S C 0.664 175.556 174.600 0.488 0.000 1.346 617 S CA -0.791 57.586 58.200 0.296 0.000 1.018 617 S CB 1.166 64.493 63.200 0.211 0.000 0.899 617 S HN 0.663 nan 8.310 nan 0.000 0.542 618 W N 1.421 122.818 121.300 0.162 0.000 2.726 618 W HA 0.183 4.843 4.660 -0.000 0.000 0.285 618 W C -0.519 175.956 176.519 -0.072 0.000 1.110 618 W CA -0.188 57.159 57.345 0.003 0.000 1.579 618 W CB -0.267 29.058 29.460 -0.224 0.000 1.118 618 W HN 0.694 nan 8.180 nan 0.000 0.556 619 Y N 3.499 123.933 120.300 0.223 0.000 2.610 619 Y HA -0.058 4.492 4.550 -0.000 0.000 0.332 619 Y C 1.667 177.562 175.900 -0.007 0.000 1.201 619 Y CA 0.636 58.786 58.100 0.084 0.000 1.465 619 Y CB 0.233 38.803 38.460 0.182 0.000 1.283 619 Y HN -0.043 nan 8.280 nan 0.000 0.563 620 D N 0.839 121.316 120.400 0.129 0.000 2.182 620 D HA -0.187 4.453 4.640 -0.000 0.000 0.201 620 D C 1.161 177.519 176.300 0.097 0.000 0.986 620 D CA 1.290 55.330 54.000 0.067 0.000 0.847 620 D CB -0.027 40.798 40.800 0.042 0.000 0.942 620 D HN 0.576 nan 8.370 nan 0.000 0.467 621 N N 0.227 119.001 118.700 0.123 0.000 2.515 621 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 621 N C 0.117 175.672 175.510 0.076 0.000 1.109 621 N CA 0.213 53.308 53.050 0.075 0.000 0.903 621 N CB 0.101 38.606 38.487 0.030 0.000 0.969 621 N HN -0.095 nan 8.380 nan 0.000 0.450 622 S N 0.641 116.417 115.700 0.127 0.000 4.139 622 S HA 0.082 4.552 4.470 -0.000 0.000 0.215 622 S C 1.220 175.871 174.600 0.085 0.000 1.390 622 S CA -0.148 58.120 58.200 0.114 0.000 0.885 622 S CB -0.274 63.034 63.200 0.180 0.000 1.560 622 S HN 0.425 nan 8.310 nan 0.000 0.449 623 T N -2.342 112.238 114.554 0.043 0.000 3.058 623 T HA 0.200 4.550 4.350 -0.000 0.000 0.278 623 T C 0.365 175.016 174.700 -0.081 0.000 0.974 623 T CA -0.441 61.668 62.100 0.015 0.000 0.893 623 T CB 0.186 69.070 68.868 0.027 0.000 1.138 623 T HN 0.201 nan 8.240 nan 0.000 0.529 624 Q N 1.109 120.866 119.800 -0.071 0.000 2.421 624 Q HA 0.456 4.796 4.340 -0.000 0.000 0.255 624 Q C -0.346 175.521 176.000 -0.223 0.000 1.013 624 Q CA 0.344 56.071 55.803 -0.126 0.000 0.895 624 Q CB 1.144 29.839 28.738 -0.072 0.000 1.271 624 Q HN 0.570 nan 8.270 nan 0.000 0.460 625 I N 2.218 122.554 120.570 -0.389 0.000 2.545 625 I HA 0.454 4.624 4.170 -0.000 0.000 0.292 625 I C -0.395 175.268 176.117 -0.757 0.000 1.040 625 I CA -0.682 60.218 61.300 -0.666 0.000 1.068 625 I CB 1.971 39.283 38.000 -1.146 0.000 1.251 625 I HN 0.371 nan 8.210 nan 0.000 0.424 626 R N 4.187 124.393 120.500 -0.490 0.000 2.725 626 R HA 0.563 4.903 4.340 -0.000 0.000 0.277 626 R C -1.450 174.873 176.300 0.040 0.000 0.987 626 R CA -0.805 55.195 56.100 -0.168 0.000 0.901 626 R CB 2.003 32.316 30.300 0.020 0.000 1.207 626 R HN 0.239 nan 8.270 nan 0.000 0.463 627 F N 1.806 121.878 119.950 0.203 0.000 2.418 627 F HA 0.315 4.842 4.527 -0.000 0.000 0.341 627 F C 0.115 175.974 175.800 0.097 0.000 1.120 627 F CA 0.308 58.295 58.000 -0.022 0.000 1.232 627 F CB 0.587 39.427 39.000 -0.266 0.000 1.175 627 F HN 0.333 nan 8.300 nan 0.000 0.569 628 F N 3.186 123.212 119.950 0.127 0.000 2.569 628 F HA 0.543 5.070 4.527 0.000 0.000 0.312 628 F C -1.605 174.370 175.800 0.292 0.000 1.109 628 F CA -0.900 57.204 58.000 0.174 0.000 0.919 628 F CB 1.229 40.306 39.000 0.127 0.000 1.211 628 F HN 0.502 nan 8.300 nan 0.000 0.446 629 H N 4.560 123.217 119.070 -0.689 0.000 3.042 629 H HA 0.273 4.829 4.556 0.000 0.000 0.345 629 H C -0.486 174.504 175.328 -0.564 0.000 1.052 629 H CA -0.819 54.826 56.048 -0.672 0.000 1.311 629 H CB 1.125 30.797 29.762 -0.151 0.000 1.810 629 H HN 0.565 nan 8.280 nan 0.000 0.505 630 N N 3.268 121.358 118.700 -1.017 0.000 2.434 630 N HA 0.118 4.858 4.740 -0.000 0.000 0.196 630 N C 1.269 176.492 175.510 -0.478 0.000 1.183 630 N CA 0.705 53.438 53.050 -0.528 0.000 0.849 630 N CB 0.125 38.420 38.487 -0.320 0.000 0.992 630 N HN 0.978 nan 8.380 nan 0.000 0.460 631 G N -0.424 107.915 108.800 -0.768 0.000 2.234 631 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 631 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 631 G C -0.373 174.407 174.900 -0.201 0.000 0.987 631 G CA 0.231 45.144 45.100 -0.311 0.000 0.625 631 G HN 0.427 nan 8.290 nan 0.000 0.532 632 E N 1.435 121.458 120.200 -0.294 0.000 2.130 632 E HA 0.524 4.874 4.350 -0.000 0.000 0.284 632 E C 1.005 177.610 176.600 0.009 0.000 1.018 632 E CA 0.833 57.168 56.400 -0.108 0.000 0.817 632 E CB 0.546 30.184 29.700 -0.104 0.000 1.078 632 E HN 1.603 nan 8.360 nan 0.000 0.396 633 G N 3.265 112.113 108.800 0.080 0.000 2.632 633 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.224 633 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.224 633 G C -0.481 174.567 174.900 0.247 0.000 1.341 633 G CA -0.003 45.178 45.100 0.134 0.000 0.880 633 G HN 0.597 nan 8.290 nan 0.000 0.566 634 E N -2.144 118.162 120.200 0.176 0.000 2.408 634 E HA 0.684 5.034 4.350 -0.000 0.000 0.275 634 E C -1.656 174.931 176.600 -0.022 0.000 0.935 634 E CA -0.666 55.736 56.400 0.003 0.000 0.775 634 E CB 2.495 32.189 29.700 -0.009 0.000 1.277 634 E HN 1.561 nan 8.360 nan 0.000 0.455 635 V N 2.019 121.770 119.914 -0.272 0.000 2.932 635 V HA 0.390 4.510 4.120 -0.000 0.000 0.307 635 V C -1.879 173.976 176.094 -0.397 0.000 1.147 635 V CA -0.383 61.713 62.300 -0.341 0.000 0.951 635 V CB 2.238 33.794 31.823 -0.445 0.000 1.031 635 V HN 0.811 nan 8.190 nan 0.000 0.426 636 Q N 5.160 124.690 119.800 -0.450 0.000 2.341 636 Q HA 0.508 4.848 4.340 -0.000 0.000 0.268 636 Q C -1.606 174.188 176.000 -0.344 0.000 1.013 636 Q CA -0.261 55.371 55.803 -0.285 0.000 0.798 636 Q CB 2.304 30.928 28.738 -0.189 0.000 1.253 636 Q HN 0.667 nan 8.270 nan 0.000 0.457 637 F N 1.806 121.686 119.950 -0.117 0.000 2.394 637 F HA 0.484 5.011 4.527 -0.000 0.000 0.340 637 F C 0.615 176.427 175.800 0.019 0.000 1.105 637 F CA -0.318 57.687 58.000 0.009 0.000 1.124 637 F CB 1.006 40.114 39.000 0.180 0.000 1.145 637 F HN 0.232 nan 8.300 nan 0.000 0.505 638 R N 1.064 121.690 120.500 0.210 0.000 2.698 638 R HA 0.298 4.638 4.340 -0.000 0.000 0.275 638 R C -0.687 175.694 176.300 0.135 0.000 1.001 638 R CA -1.229 54.946 56.100 0.125 0.000 0.896 638 R CB 1.741 32.065 30.300 0.040 0.000 1.218 638 R HN 0.791 nan 8.270 nan 0.000 0.462 639 N N -0.286 118.472 118.700 0.096 0.000 2.740 639 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 639 N C -0.796 174.772 175.510 0.097 0.000 1.062 639 N CA 0.067 53.163 53.050 0.075 0.000 0.704 639 N CB -0.788 37.734 38.487 0.058 0.000 0.968 639 N HN 0.103 nan 8.380 nan 0.000 0.547 640 V N 0.407 120.392 119.914 0.118 0.000 2.530 640 V HA 0.557 4.677 4.120 -0.000 0.000 0.282 640 V C 0.555 176.638 176.094 -0.019 0.000 1.048 640 V CA 0.119 62.473 62.300 0.090 0.000 0.997 640 V CB 1.636 33.543 31.823 0.140 0.000 0.987 640 V HN 0.329 nan 8.190 nan 0.000 0.477 641 S N 3.550 119.237 115.700 -0.023 0.000 2.565 641 S HA 0.744 5.214 4.470 -0.000 0.000 0.269 641 S C -1.535 173.074 174.600 0.016 0.000 1.153 641 S CA -0.474 57.713 58.200 -0.021 0.000 0.835 641 S CB 2.017 65.221 63.200 0.006 0.000 1.122 641 S HN 0.421 nan 8.310 nan 0.000 0.462 642 V N 2.605 122.536 119.914 0.028 0.000 2.531 642 V HA 0.669 4.789 4.120 -0.000 0.000 0.301 642 V C -0.213 175.930 176.094 0.081 0.000 1.034 642 V CA -0.649 61.690 62.300 0.064 0.000 0.865 642 V CB 1.691 33.525 31.823 0.018 0.000 0.995 642 V HN 0.805 nan 8.190 nan 0.000 0.424 643 S N 3.850 119.631 115.700 0.135 0.000 2.433 643 S HA 0.494 4.964 4.470 -0.000 0.000 0.310 643 S C -0.572 174.149 174.600 0.201 0.000 1.097 643 S CA -0.511 57.768 58.200 0.132 0.000 1.103 643 S CB 0.821 64.090 63.200 0.116 0.000 0.992 643 S HN 0.866 nan 8.310 nan 0.000 0.469 644 E N 3.239 123.541 120.200 0.171 0.000 2.179 644 E HA 0.597 4.947 4.350 -0.000 0.000 0.275 644 E C 0.833 177.548 176.600 0.191 0.000 0.945 644 E CA 0.015 56.548 56.400 0.221 0.000 0.792 644 E CB 0.943 30.744 29.700 0.167 0.000 1.125 644 E HN 0.894 nan 8.360 nan 0.000 0.397 645 G N 3.915 112.858 108.800 0.238 0.000 2.612 645 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.200 645 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.200 645 G C 0.512 175.502 174.900 0.151 0.000 1.053 645 G CA -0.175 45.025 45.100 0.167 0.000 0.707 645 G HN 0.700 nan 8.290 nan 0.000 0.497 646 L N -1.968 119.369 121.223 0.191 0.000 6.963 646 L HA -0.187 4.153 4.340 -0.000 0.000 0.053 646 L C 0.646 177.671 176.870 0.259 0.000 1.740 646 L CA 2.127 57.097 54.840 0.216 0.000 1.613 646 L CB -1.333 40.832 42.059 0.178 0.000 2.780 646 L HN 1.645 nan 8.230 nan 0.000 1.092 647 Y N -2.029 118.285 120.300 0.022 0.000 2.750 647 Y HA 0.570 5.120 4.550 0.000 0.000 0.335 647 Y C -0.682 175.220 175.900 0.002 0.000 1.252 647 Y CA -1.234 56.863 58.100 -0.005 0.000 1.064 647 Y CB 1.058 39.511 38.460 -0.010 0.000 1.321 647 Y HN 0.422 nan 8.280 nan 0.000 0.451 648 N N 0.985 119.667 118.700 -0.029 0.000 2.420 648 N HA 0.388 5.128 4.740 -0.000 0.000 0.249 648 N C 0.293 175.768 175.510 -0.058 0.000 1.033 648 N CA 0.465 53.470 53.050 -0.075 0.000 0.944 648 N CB 1.719 40.228 38.487 0.037 0.000 1.113 648 N HN 0.932 nan 8.380 nan 0.000 0.502 649 A N 3.391 126.087 122.820 -0.207 0.000 2.167 649 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 649 A C -0.083 177.347 177.584 -0.258 0.000 1.151 649 A CA 0.306 52.246 52.037 -0.163 0.000 0.735 649 A CB -0.198 18.672 19.000 -0.217 0.000 0.802 649 A HN 0.718 nan 8.150 nan 0.000 0.467 650 W N -0.884 120.465 121.300 0.082 0.000 2.104 650 W HA 0.420 5.080 4.660 0.000 0.000 0.291 650 W C -2.296 174.255 176.519 0.054 0.000 0.936 650 W CA -1.808 55.590 57.345 0.087 0.000 1.856 650 W CB 0.527 30.024 29.460 0.061 0.000 2.036 650 W HN 0.104 nan 8.180 nan 0.000 0.393 651 P HA -0.208 nan 4.420 nan 0.000 0.218 651 P C 1.091 178.463 177.300 0.121 0.000 1.146 651 P CA 1.704 64.878 63.100 0.122 0.000 0.813 651 P CB 0.491 32.234 31.700 0.072 0.000 0.778 652 E N -1.730 118.562 120.200 0.154 0.000 2.474 652 E HA 0.064 4.414 4.350 -0.000 0.000 0.194 652 E C 0.824 177.497 176.600 0.122 0.000 1.041 652 E CA 0.015 56.489 56.400 0.123 0.000 0.874 652 E CB 0.047 29.818 29.700 0.119 0.000 0.914 652 E HN 0.207 nan 8.360 nan 0.000 0.498 653 R N 0.000 120.594 120.500 0.157 0.000 2.786 653 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 653 R CA 0.000 56.158 56.100 0.096 0.000 0.921 653 R CB 0.000 30.346 30.300 0.076 0.000 0.687 653 R HN 0.000 nan 8.270 nan 0.000 0.535