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 2v5h_1_D DATA FIRST_RESID 8 DATA SEQUENCE AGAADRVRIL SEALPYLQQF AGRTVVVKYG GAAMKQEELK EAVMRDIVFL DATA SEQUENCE ACVGMRPVVV HGGGPEINAW LGRVGIEPQF HNGLRVTDAD TMEVVEMVLV DATA SEQUENCE GRVNKDIVSR INTTGGRAVG FCGTDGRLVL ARPHDQEGIG FVGEVNSVNS DATA SEQUENCE EVIEPLLERG YIPVISSVAA DENGQSFNIN ADTVAGEIAA ALNAEKLILL DATA SEQUENCE TDTRGILEDP KRPESLIPRL NIPQSRELIA QGIVGGGMIP KVDCCIRSLA DATA SEQUENCE QGVRAAHIID GRIPHALLLE IFTDAGIGTM IVGSGY 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.583 177.584 -0.002 0.000 1.274 8 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 8 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 9 G N -1.075 107.724 108.800 -0.002 0.000 2.650 9 G HA2 0.572 4.526 3.960 -0.009 0.000 0.686 9 G HA3 0.572 4.526 3.960 -0.009 0.000 0.686 9 G C 0.188 175.086 174.900 -0.003 0.000 1.205 9 G CA 0.678 45.777 45.100 -0.003 0.000 0.781 9 G HN 2.433 nan 8.290 nan 0.000 0.648 10 A N 0.596 123.414 122.820 -0.004 0.000 1.803 10 A HA 0.943 5.258 4.320 -0.009 0.000 0.202 10 A C 1.459 179.040 177.584 -0.005 0.000 1.802 10 A CA 1.401 53.436 52.037 -0.004 0.000 1.096 10 A CB -0.389 18.609 19.000 -0.004 0.000 1.046 10 A HN 2.740 nan 8.150 nan 0.000 0.568 11 A N 0.809 123.625 122.820 -0.006 0.000 2.450 11 A HA 0.489 4.804 4.320 -0.009 0.000 0.255 11 A C -0.829 176.750 177.584 -0.008 0.000 1.096 11 A CA 0.195 52.227 52.037 -0.008 0.000 0.778 11 A CB -0.203 18.791 19.000 -0.009 0.000 1.031 11 A HN 0.286 nan 8.150 nan 0.000 0.494 12 D N 1.534 121.929 120.400 -0.009 0.000 3.123 12 D HA 0.191 4.826 4.640 -0.009 0.000 0.305 12 D C 1.383 177.676 176.300 -0.013 0.000 1.373 12 D CA -0.193 53.802 54.000 -0.009 0.000 0.889 12 D CB 0.240 41.036 40.800 -0.006 0.000 1.070 12 D HN 0.561 nan 8.370 nan 0.000 0.494 13 R N -0.262 120.229 120.500 -0.016 0.000 2.228 13 R HA -0.168 4.166 4.340 -0.009 0.000 0.259 13 R C 1.623 177.913 176.300 -0.017 0.000 1.183 13 R CA 0.793 56.880 56.100 -0.021 0.000 1.002 13 R CB -0.604 29.684 30.300 -0.020 0.000 0.879 13 R HN 0.233 nan 8.270 nan 0.000 0.467 14 V N 1.567 121.475 119.914 -0.010 0.000 2.358 14 V HA -0.213 3.902 4.120 -0.009 0.000 0.246 14 V C 2.680 178.772 176.094 -0.003 0.000 1.047 14 V CA 2.015 64.311 62.300 -0.006 0.000 1.035 14 V CB -0.475 31.346 31.823 -0.003 0.000 0.658 14 V HN 0.385 nan 8.190 nan 0.000 0.452 15 R N -0.410 120.089 120.500 -0.003 0.000 2.210 15 R HA 0.002 4.337 4.340 -0.009 0.000 0.203 15 R C 1.931 178.233 176.300 0.003 0.000 1.010 15 R CA 1.010 57.111 56.100 0.003 0.000 1.008 15 R CB -0.195 30.107 30.300 0.003 0.000 0.923 15 R HN 0.419 nan 8.270 nan 0.000 0.469 16 I N 1.066 121.630 120.570 -0.009 0.000 2.546 16 I HA -0.164 4.001 4.170 -0.009 0.000 0.255 16 I C 1.971 178.074 176.117 -0.023 0.000 1.163 16 I CA 0.542 61.830 61.300 -0.019 0.000 1.457 16 I CB -0.281 37.695 38.000 -0.040 0.000 1.092 16 I HN 0.144 nan 8.210 nan 0.000 0.434 17 L N -0.289 120.924 121.223 -0.016 0.000 2.005 17 L HA -0.129 4.206 4.340 -0.009 0.000 0.207 17 L C 2.689 179.567 176.870 0.013 0.000 1.072 17 L CA 1.765 56.601 54.840 -0.007 0.000 0.744 17 L CB -1.063 40.995 42.059 -0.002 0.000 0.895 17 L HN 0.254 nan 8.230 nan 0.000 0.433 18 S N -0.989 114.721 115.700 0.016 0.000 2.382 18 S HA -0.196 4.268 4.470 -0.009 0.000 0.228 18 S C 1.834 176.463 174.600 0.047 0.000 1.027 18 S CA 1.310 59.526 58.200 0.026 0.000 0.991 18 S CB -0.165 63.046 63.200 0.019 0.000 0.823 18 S HN 0.514 nan 8.310 nan 0.000 0.469 19 E N 0.274 120.506 120.200 0.053 0.000 2.338 19 E HA 0.021 4.365 4.350 -0.009 0.000 0.197 19 E C 1.966 178.668 176.600 0.169 0.000 1.007 19 E CA 0.677 57.133 56.400 0.093 0.000 0.849 19 E CB -0.152 29.595 29.700 0.078 0.000 0.774 19 E HN 0.619 nan 8.360 nan 0.000 0.506 20 A N 0.941 123.840 122.820 0.133 0.000 2.206 20 A HA -0.045 4.270 4.320 -0.009 0.000 0.211 20 A C 1.958 179.716 177.584 0.290 0.000 1.158 20 A CA 0.184 52.347 52.037 0.210 0.000 0.761 20 A CB -0.311 18.698 19.000 0.015 0.000 0.801 20 A HN 0.226 nan 8.150 nan 0.000 0.473 21 L N 0.088 121.413 121.223 0.169 0.000 1.971 21 L HA -0.153 4.182 4.340 -0.009 0.000 0.215 21 L C -0.548 176.383 176.870 0.101 0.000 1.072 21 L CA 2.344 57.253 54.840 0.115 0.000 0.758 21 L CB -1.227 40.866 42.059 0.058 0.000 0.889 21 L HN 0.235 nan 8.230 nan 0.000 0.433 22 P HA -0.196 nan 4.420 nan 0.000 0.216 22 P C 0.990 178.181 177.300 -0.182 0.000 1.150 22 P CA 1.645 64.664 63.100 -0.135 0.000 0.843 22 P CB -0.094 31.439 31.700 -0.279 0.000 0.787 23 Y N -1.045 119.315 120.300 0.100 0.000 2.184 23 Y HA -0.087 4.456 4.550 -0.013 0.000 0.290 23 Y C 2.382 178.428 175.900 0.243 0.000 1.129 23 Y CA 0.803 58.999 58.100 0.161 0.000 1.144 23 Y CB -1.478 37.238 38.460 0.427 0.000 0.995 23 Y HN -0.185 nan 8.280 nan 0.000 0.513 24 L N -0.127 121.403 121.223 0.513 0.000 2.013 24 L HA -0.321 4.013 4.340 -0.009 0.000 0.212 24 L C 2.441 179.424 176.870 0.188 0.000 1.073 24 L CA 1.667 56.745 54.840 0.396 0.000 0.753 24 L CB -0.749 41.462 42.059 0.255 0.000 0.890 24 L HN 0.290 nan 8.230 nan 0.000 0.432 25 Q N -0.638 119.211 119.800 0.081 0.000 2.084 25 Q HA -0.291 4.043 4.340 -0.009 0.000 0.202 25 Q C 2.299 178.253 176.000 -0.076 0.000 0.978 25 Q CA 1.691 57.493 55.803 -0.001 0.000 0.844 25 Q CB -0.155 28.562 28.738 -0.034 0.000 0.898 25 Q HN 0.502 nan 8.270 nan 0.000 0.426 26 Q N -0.269 119.405 119.800 -0.210 0.000 2.124 26 Q HA -0.129 4.206 4.340 -0.009 0.000 0.202 26 Q C 0.499 176.190 176.000 -0.515 0.000 0.977 26 Q CA 1.177 56.685 55.803 -0.492 0.000 0.850 26 Q CB 0.194 28.399 28.738 -0.889 0.000 0.901 26 Q HN 0.380 nan 8.270 nan 0.000 0.429 27 F N -0.161 119.826 119.950 0.061 0.000 2.735 27 F HA 0.434 4.954 4.527 -0.011 0.000 0.304 27 F C 0.331 176.168 175.800 0.062 0.000 1.119 27 F CA -0.754 57.275 58.000 0.048 0.000 1.280 27 F CB 0.504 39.517 39.000 0.021 0.000 0.994 27 F HN -0.040 nan 8.300 nan 0.000 0.520 28 A N 0.666 123.587 122.820 0.167 0.000 2.580 28 A HA 0.328 4.643 4.320 -0.009 0.000 0.244 28 A C 1.611 179.262 177.584 0.112 0.000 1.045 28 A CA 1.033 53.144 52.037 0.123 0.000 0.761 28 A CB -0.718 18.323 19.000 0.069 0.000 0.962 28 A HN 1.031 nan 8.150 nan 0.000 0.512 29 G N 2.113 110.972 108.800 0.098 0.000 2.189 29 G HA2 -0.264 3.691 3.960 -0.009 0.000 0.267 29 G HA3 -0.264 3.691 3.960 -0.009 0.000 0.267 29 G C 0.522 175.472 174.900 0.083 0.000 0.975 29 G CA 0.643 45.788 45.100 0.076 0.000 0.644 29 G HN 0.856 nan 8.290 nan 0.000 0.537 30 R N 0.509 121.078 120.500 0.116 0.000 2.531 30 R HA 0.511 4.846 4.340 -0.009 0.000 0.273 30 R C 0.058 176.395 176.300 0.061 0.000 1.070 30 R CA -0.024 56.139 56.100 0.105 0.000 1.112 30 R CB 0.353 30.758 30.300 0.175 0.000 1.049 30 R HN 0.165 nan 8.270 nan 0.000 0.508 31 T N 1.407 115.984 114.554 0.039 0.000 2.799 31 T HA 0.368 4.713 4.350 -0.009 0.000 0.286 31 T C -0.248 174.447 174.700 -0.007 0.000 0.973 31 T CA -0.445 61.669 62.100 0.022 0.000 1.035 31 T CB 1.218 70.101 68.868 0.024 0.000 0.932 31 T HN 0.142 nan 8.240 nan 0.000 0.469 32 V N 4.251 124.158 119.914 -0.012 0.000 2.443 32 V HA 0.363 4.478 4.120 -0.009 0.000 0.293 32 V C -0.238 175.854 176.094 -0.002 0.000 1.021 32 V CA -0.830 61.448 62.300 -0.036 0.000 0.848 32 V CB 1.810 33.587 31.823 -0.076 0.000 0.998 32 V HN 0.691 nan 8.190 nan 0.000 0.424 33 V N 6.031 125.949 119.914 0.006 0.000 2.350 33 V HA 0.405 4.520 4.120 -0.009 0.000 0.276 33 V C -0.033 176.083 176.094 0.037 0.000 1.028 33 V CA -0.450 61.867 62.300 0.028 0.000 0.860 33 V CB 1.670 33.510 31.823 0.029 0.000 0.990 33 V HN 0.612 nan 8.190 nan 0.000 0.453 34 V N 5.434 125.380 119.914 0.053 0.000 2.370 34 V HA 0.421 4.536 4.120 -0.009 0.000 0.283 34 V C 0.272 176.434 176.094 0.112 0.000 1.023 34 V CA -0.911 61.431 62.300 0.070 0.000 0.857 34 V CB 1.788 33.649 31.823 0.063 0.000 0.985 34 V HN 0.694 nan 8.190 nan 0.000 0.443 35 K N 4.827 125.293 120.400 0.111 0.000 2.263 35 K HA 0.198 4.513 4.320 -0.009 0.000 0.282 35 K C -1.258 175.448 176.600 0.177 0.000 1.089 35 K CA -0.456 55.910 56.287 0.133 0.000 0.907 35 K CB 0.537 33.089 32.500 0.086 0.000 1.148 35 K HN 0.662 nan 8.250 nan 0.000 0.470 36 Y N 3.304 123.653 120.300 0.083 0.000 2.367 36 Y HA 0.522 5.067 4.550 -0.007 0.000 0.342 36 Y C -0.028 175.923 175.900 0.085 0.000 0.979 36 Y CA -0.002 58.141 58.100 0.072 0.000 1.161 36 Y CB 0.811 39.313 38.460 0.070 0.000 1.155 36 Y HN 0.715 nan 8.280 nan 0.000 0.503 37 G N 2.283 110.902 108.800 -0.301 0.000 2.488 37 G HA2 0.511 4.466 3.960 -0.009 0.000 0.301 37 G HA3 0.511 4.466 3.960 -0.009 0.000 0.301 37 G C -0.159 174.615 174.900 -0.210 0.000 1.339 37 G CA -0.105 44.813 45.100 -0.303 0.000 0.803 37 G HN 1.448 nan 8.290 nan 0.000 0.482 38 G N -0.411 108.304 108.800 -0.141 0.000 2.574 38 G HA2 0.156 4.111 3.960 -0.009 0.000 0.286 38 G HA3 0.156 4.111 3.960 -0.009 0.000 0.286 38 G C 1.606 176.450 174.900 -0.093 0.000 1.212 38 G CA 2.185 47.230 45.100 -0.091 0.000 0.979 38 G HN 2.184 nan 8.290 nan 0.000 0.557 39 A N -0.507 122.279 122.820 -0.057 0.000 1.902 39 A HA 0.311 4.625 4.320 -0.009 0.000 0.217 39 A C 3.063 180.628 177.584 -0.031 0.000 1.181 39 A CA 3.528 55.542 52.037 -0.038 0.000 0.623 39 A CB -1.107 17.879 19.000 -0.022 0.000 0.818 39 A HN 2.379 nan 8.150 nan 0.000 0.443 40 A N -0.836 121.970 122.820 -0.023 0.000 2.032 40 A HA -0.201 4.114 4.320 -0.009 0.000 0.221 40 A C 2.200 179.820 177.584 0.060 0.000 1.165 40 A CA 2.086 54.148 52.037 0.042 0.000 0.645 40 A CB -0.460 18.602 19.000 0.103 0.000 0.807 40 A HN 0.676 nan 8.150 nan 0.000 0.453 41 M N -1.988 117.516 119.600 -0.161 0.000 2.534 41 M HA 0.110 4.585 4.480 -0.009 0.000 0.263 41 M C 1.973 178.239 176.300 -0.056 0.000 1.152 41 M CA 1.298 56.452 55.300 -0.244 0.000 1.145 41 M CB 0.043 32.267 32.600 -0.627 0.000 1.333 41 M HN 0.360 nan 8.290 nan 0.000 0.477 42 K N 0.579 120.948 120.400 -0.051 0.000 2.005 42 K HA -0.029 4.286 4.320 -0.009 0.000 0.206 42 K C 0.109 176.710 176.600 0.002 0.000 1.044 42 K CA 0.847 57.122 56.287 -0.019 0.000 0.942 42 K CB 0.063 32.549 32.500 -0.025 0.000 0.727 42 K HN 0.377 nan 8.250 nan 0.000 0.439 43 Q N 1.045 120.846 119.800 0.002 0.000 2.304 43 Q HA -0.044 4.291 4.340 -0.009 0.000 0.260 43 Q C 0.390 176.399 176.000 0.016 0.000 0.965 43 Q CA -0.240 55.566 55.803 0.006 0.000 0.898 43 Q CB 1.679 30.416 28.738 -0.000 0.000 1.196 43 Q HN 0.188 nan 8.270 nan 0.000 0.402 44 E N 2.972 123.179 120.200 0.012 0.000 2.085 44 E HA -0.299 4.046 4.350 -0.009 0.000 0.194 44 E C 1.519 178.121 176.600 0.002 0.000 0.994 44 E CA 1.911 58.319 56.400 0.013 0.000 0.801 44 E CB 0.099 29.805 29.700 0.010 0.000 0.743 44 E HN 0.731 nan 8.360 nan 0.000 0.453 45 E N -0.256 119.940 120.200 -0.006 0.000 2.085 45 E HA -0.204 4.141 4.350 -0.009 0.000 0.194 45 E C 2.095 178.665 176.600 -0.050 0.000 0.994 45 E CA 1.569 57.956 56.400 -0.023 0.000 0.801 45 E CB -0.147 29.543 29.700 -0.017 0.000 0.743 45 E HN 0.396 nan 8.360 nan 0.000 0.453 46 L N 0.356 121.561 121.223 -0.031 0.000 2.095 46 L HA -0.066 4.269 4.340 -0.009 0.000 0.204 46 L C 2.820 179.683 176.870 -0.011 0.000 1.080 46 L CA 0.918 55.734 54.840 -0.039 0.000 0.759 46 L CB -0.482 41.575 42.059 -0.002 0.000 0.914 46 L HN 0.071 nan 8.230 nan 0.000 0.439 47 K N 0.498 120.925 120.400 0.044 0.000 2.044 47 K HA -0.248 4.066 4.320 -0.009 0.000 0.210 47 K C 2.163 178.759 176.600 -0.007 0.000 1.049 47 K CA 1.583 57.924 56.287 0.090 0.000 0.927 47 K CB -0.023 32.545 32.500 0.112 0.000 0.713 47 K HN 0.161 nan 8.250 nan 0.000 0.443 48 E N 0.140 120.324 120.200 -0.027 0.000 2.077 48 E HA -0.177 4.168 4.350 -0.009 0.000 0.193 48 E C 1.847 178.396 176.600 -0.085 0.000 0.989 48 E CA 1.230 57.603 56.400 -0.044 0.000 0.800 48 E CB -0.112 29.570 29.700 -0.029 0.000 0.746 48 E HN 0.453 nan 8.360 nan 0.000 0.452 49 A N 0.563 123.278 122.820 -0.175 0.000 1.902 49 A HA -0.130 4.185 4.320 -0.009 0.000 0.217 49 A C 2.552 180.022 177.584 -0.190 0.000 1.181 49 A CA 1.396 53.215 52.037 -0.363 0.000 0.623 49 A CB -0.665 17.855 19.000 -0.801 0.000 0.818 49 A HN 0.165 nan 8.150 nan 0.000 0.443 50 V N 0.078 119.917 119.914 -0.125 0.000 2.332 50 V HA -0.311 3.803 4.120 -0.009 0.000 0.248 50 V C 2.692 178.722 176.094 -0.108 0.000 1.055 50 V CA 2.118 64.363 62.300 -0.091 0.000 1.038 50 V CB -0.683 31.082 31.823 -0.096 0.000 0.651 50 V HN 0.508 nan 8.190 nan 0.000 0.450 51 M N -0.598 118.928 119.600 -0.123 0.000 2.132 51 M HA -0.107 4.367 4.480 -0.009 0.000 0.263 51 M C 2.252 178.544 176.300 -0.014 0.000 1.065 51 M CA 1.573 56.816 55.300 -0.095 0.000 1.122 51 M CB -1.354 31.193 32.600 -0.088 0.000 1.365 51 M HN 0.275 nan 8.290 nan 0.000 0.411 52 R N 0.239 120.748 120.500 0.016 0.000 2.096 52 R HA -0.144 4.190 4.340 -0.009 0.000 0.235 52 R C 1.720 178.108 176.300 0.147 0.000 1.127 52 R CA 1.285 57.438 56.100 0.088 0.000 0.968 52 R CB -0.292 30.079 30.300 0.117 0.000 0.861 52 R HN 0.384 nan 8.270 nan 0.000 0.440 53 D N 0.481 120.956 120.400 0.125 0.000 2.117 53 D HA -0.108 4.527 4.640 -0.009 0.000 0.198 53 D C 1.875 178.289 176.300 0.190 0.000 0.982 53 D CA 0.844 54.942 54.000 0.164 0.000 0.828 53 D CB -0.038 40.837 40.800 0.126 0.000 0.967 53 D HN 0.074 nan 8.370 nan 0.000 0.464 54 I N 0.718 121.348 120.570 0.100 0.000 2.202 54 I HA -0.174 3.991 4.170 -0.009 0.000 0.242 54 I C 2.471 178.651 176.117 0.105 0.000 1.091 54 I CA 0.674 62.023 61.300 0.080 0.000 1.368 54 I CB -0.938 37.067 38.000 0.008 0.000 1.058 54 I HN -0.079 nan 8.210 nan 0.000 0.410 55 V N 0.807 120.777 119.914 0.094 0.000 2.332 55 V HA -0.315 3.800 4.120 -0.009 0.000 0.248 55 V C 2.392 178.552 176.094 0.109 0.000 1.055 55 V CA 1.797 64.144 62.300 0.079 0.000 1.038 55 V CB -0.855 31.003 31.823 0.060 0.000 0.651 55 V HN 0.275 nan 8.190 nan 0.000 0.450 56 F N 0.436 120.407 119.950 0.036 0.000 2.069 56 F HA -0.224 4.297 4.527 -0.010 0.000 0.298 56 F C 2.128 177.972 175.800 0.074 0.000 1.113 56 F CA 1.850 59.874 58.000 0.041 0.000 1.214 56 F CB -0.227 38.799 39.000 0.044 0.000 0.978 56 F HN 0.024 nan 8.300 nan 0.000 0.474 57 L N -0.063 121.366 121.223 0.342 0.000 2.043 57 L HA -0.275 4.060 4.340 -0.009 0.000 0.212 57 L C 2.795 179.714 176.870 0.081 0.000 1.075 57 L CA 1.329 56.323 54.840 0.256 0.000 0.752 57 L CB -1.371 40.824 42.059 0.227 0.000 0.891 57 L HN 0.293 nan 8.230 nan 0.000 0.432 58 A N -0.920 121.926 122.820 0.044 0.000 1.873 58 A HA -0.266 4.049 4.320 -0.009 0.000 0.215 58 A C 2.479 180.033 177.584 -0.051 0.000 1.186 58 A CA 1.696 53.736 52.037 0.006 0.000 0.616 58 A CB -1.313 17.691 19.000 0.006 0.000 0.823 58 A HN 0.583 nan 8.150 nan 0.000 0.442 59 C N -1.104 118.134 119.300 -0.102 0.000 2.411 59 C HA -0.007 4.448 4.460 -0.009 0.000 0.279 59 C C 2.314 177.181 174.990 -0.205 0.000 1.288 59 C CA 1.356 60.280 59.018 -0.158 0.000 1.764 59 C CB -1.128 26.495 27.740 -0.196 0.000 1.974 59 C HN 0.349 nan 8.230 nan 0.000 0.498 60 V N 0.711 120.465 119.914 -0.266 0.000 3.577 60 V HA 0.294 4.408 4.120 -0.009 0.000 0.294 60 V C 1.715 177.775 176.094 -0.057 0.000 1.317 60 V CA 1.382 63.540 62.300 -0.236 0.000 1.169 60 V CB -0.384 31.190 31.823 -0.414 0.000 1.011 60 V HN 0.848 nan 8.190 nan 0.000 0.426 61 G N -0.196 108.584 108.800 -0.033 0.000 2.194 61 G HA2 -0.246 3.709 3.960 -0.009 0.000 0.236 61 G HA3 -0.246 3.709 3.960 -0.009 0.000 0.236 61 G C 0.212 175.142 174.900 0.050 0.000 0.987 61 G CA 0.283 45.390 45.100 0.011 0.000 0.635 61 G HN 0.427 nan 8.290 nan 0.000 0.520 62 M N -0.431 119.215 119.600 0.075 0.000 2.219 62 M HA 0.570 5.045 4.480 -0.009 0.000 0.280 62 M C 0.819 177.156 176.300 0.061 0.000 1.189 62 M CA -0.187 55.167 55.300 0.090 0.000 1.010 62 M CB 0.745 33.419 32.600 0.123 0.000 1.422 62 M HN 0.041 nan 8.290 nan 0.000 0.504 63 R N 1.252 121.786 120.500 0.056 0.000 2.477 63 R HA 0.358 4.693 4.340 -0.009 0.000 0.285 63 R C -2.600 173.728 176.300 0.047 0.000 1.415 63 R CA -1.583 54.547 56.100 0.050 0.000 1.446 63 R CB 0.223 30.551 30.300 0.048 0.000 1.110 63 R HN 0.316 nan 8.270 nan 0.000 0.590 64 P HA 0.115 nan 4.420 nan 0.000 0.275 64 P C -0.403 176.931 177.300 0.057 0.000 1.227 64 P CA -0.232 62.896 63.100 0.048 0.000 0.781 64 P CB 1.607 33.341 31.700 0.055 0.000 0.906 65 V N 3.900 123.846 119.914 0.054 0.000 2.531 65 V HA 0.221 4.335 4.120 -0.009 0.000 0.301 65 V C 0.197 176.337 176.094 0.078 0.000 1.034 65 V CA -0.801 61.541 62.300 0.070 0.000 0.865 65 V CB 2.273 34.131 31.823 0.058 0.000 0.995 65 V HN 0.259 nan 8.190 nan 0.000 0.424 66 V N 5.784 125.756 119.914 0.098 0.000 2.439 66 V HA 0.532 4.646 4.120 -0.009 0.000 0.282 66 V C -0.117 176.083 176.094 0.177 0.000 1.039 66 V CA -0.383 61.990 62.300 0.121 0.000 0.913 66 V CB 1.763 33.638 31.823 0.087 0.000 0.983 66 V HN 0.610 nan 8.190 nan 0.000 0.460 67 V N 5.210 125.236 119.914 0.187 0.000 2.604 67 V HA 0.680 4.794 4.120 -0.009 0.000 0.305 67 V C -0.603 175.639 176.094 0.246 0.000 1.043 67 V CA -0.608 61.794 62.300 0.171 0.000 0.888 67 V CB 1.919 33.798 31.823 0.093 0.000 0.995 67 V HN 1.194 nan 8.190 nan 0.000 0.429 68 H N 1.381 120.530 119.070 0.131 0.000 3.008 68 H HA 0.889 5.440 4.556 -0.009 0.000 0.354 68 H C -0.108 175.269 175.328 0.082 0.000 1.252 68 H CA -0.080 56.044 56.048 0.127 0.000 1.117 68 H CB 1.855 31.740 29.762 0.205 0.000 1.857 68 H HN 0.718 nan 8.280 nan 0.000 0.547 69 G N -0.903 107.953 108.800 0.094 0.000 3.407 69 G HA2 0.530 4.485 3.960 -0.009 0.000 0.187 69 G HA3 0.530 4.485 3.960 -0.009 0.000 0.187 69 G C 0.097 175.112 174.900 0.191 0.000 1.262 69 G CA -0.958 44.175 45.100 0.056 0.000 0.808 69 G HN 1.579 nan 8.290 nan 0.000 0.687 70 G N -1.156 107.712 108.800 0.114 0.000 3.268 70 G HA2 0.433 4.388 3.960 -0.009 0.000 0.233 70 G HA3 0.433 4.388 3.960 -0.009 0.000 0.233 70 G C 0.886 175.848 174.900 0.103 0.000 3.485 70 G CA 0.532 45.694 45.100 0.103 0.000 0.718 70 G HN 1.290 nan 8.290 nan 0.000 0.371 71 G N 1.436 110.296 108.800 0.099 0.000 2.553 71 G HA2 -0.151 3.804 3.960 -0.009 0.000 0.218 71 G HA3 -0.151 3.804 3.960 -0.009 0.000 0.218 71 G C 0.154 175.137 174.900 0.137 0.000 1.195 71 G CA 1.982 47.168 45.100 0.144 0.000 0.779 71 G HN 0.499 nan 8.290 nan 0.000 0.577 72 P HA -0.078 nan 4.420 nan 0.000 0.215 72 P C 1.849 179.204 177.300 0.091 0.000 1.157 72 P CA 1.247 64.390 63.100 0.071 0.000 0.874 72 P CB 0.045 31.764 31.700 0.031 0.000 0.790 73 E N -0.535 119.732 120.200 0.112 0.000 2.077 73 E HA -0.138 4.206 4.350 -0.009 0.000 0.193 73 E C 2.058 178.813 176.600 0.260 0.000 0.989 73 E CA 0.938 57.443 56.400 0.175 0.000 0.800 73 E CB -0.718 29.093 29.700 0.186 0.000 0.746 73 E HN 0.260 nan 8.360 nan 0.000 0.452 74 I N 1.660 122.354 120.570 0.206 0.000 2.118 74 I HA -0.347 3.817 4.170 -0.009 0.000 0.241 74 I C 2.039 178.268 176.117 0.186 0.000 1.070 74 I CA 1.140 62.559 61.300 0.200 0.000 1.327 74 I CB -0.508 37.573 38.000 0.135 0.000 1.034 74 I HN 0.053 nan 8.210 nan 0.000 0.405 75 N N 1.264 120.052 118.700 0.148 0.000 2.060 75 N HA -0.225 4.510 4.740 -0.009 0.000 0.195 75 N C 1.887 177.438 175.510 0.069 0.000 1.028 75 N CA 1.908 55.027 53.050 0.115 0.000 0.861 75 N CB -0.623 37.937 38.487 0.121 0.000 1.029 75 N HN 0.445 nan 8.380 nan 0.000 0.428 76 A N 0.158 122.999 122.820 0.036 0.000 1.883 76 A HA -0.149 4.166 4.320 -0.009 0.000 0.217 76 A C 2.186 179.662 177.584 -0.179 0.000 1.186 76 A CA 1.434 53.411 52.037 -0.101 0.000 0.624 76 A CB -1.120 17.778 19.000 -0.170 0.000 0.822 76 A HN 0.436 nan 8.150 nan 0.000 0.444 77 W N -0.110 121.200 121.300 0.017 0.000 2.407 77 W HA -0.007 4.648 4.660 -0.009 0.000 0.305 77 W C 2.127 178.650 176.519 0.006 0.000 1.196 77 W CA 0.935 58.286 57.345 0.011 0.000 1.311 77 W CB -0.513 28.953 29.460 0.010 0.000 1.135 77 W HN 0.205 nan 8.180 nan 0.000 0.514 78 L N 0.013 121.361 121.223 0.209 0.000 2.051 78 L HA -0.237 4.097 4.340 -0.009 0.000 0.214 78 L C 2.623 179.533 176.870 0.067 0.000 1.076 78 L CA 1.640 56.549 54.840 0.115 0.000 0.758 78 L CB -1.530 40.574 42.059 0.076 0.000 0.890 78 L HN 0.192 nan 8.230 nan 0.000 0.433 79 G N -0.461 108.358 108.800 0.032 0.000 2.422 79 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.218 79 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.218 79 G C 1.685 176.573 174.900 -0.020 0.000 1.146 79 G CA 0.354 45.451 45.100 -0.006 0.000 0.769 79 G HN 0.316 nan 8.290 nan 0.000 0.547 80 R N -0.333 120.144 120.500 -0.040 0.000 2.285 80 R HA 0.046 4.381 4.340 -0.009 0.000 0.213 80 R C 1.298 177.622 176.300 0.041 0.000 1.068 80 R CA 0.620 56.694 56.100 -0.044 0.000 1.004 80 R CB 0.073 30.281 30.300 -0.154 0.000 0.873 80 R HN 0.382 nan 8.270 nan 0.000 0.467 81 V N -0.906 119.051 119.914 0.071 0.000 3.380 81 V HA 0.261 4.376 4.120 -0.009 0.000 0.307 81 V C 1.031 177.150 176.094 0.043 0.000 1.434 81 V CA 0.468 62.812 62.300 0.074 0.000 1.075 81 V CB 0.722 32.606 31.823 0.103 0.000 0.954 81 V HN 0.503 nan 8.190 nan 0.000 0.444 82 G N 1.409 110.226 108.800 0.029 0.000 2.143 82 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.248 82 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.248 82 G C 0.046 174.957 174.900 0.018 0.000 0.991 82 G CA 0.342 45.453 45.100 0.018 0.000 0.689 82 G HN 0.521 nan 8.290 nan 0.000 0.522 83 I N 0.533 121.117 120.570 0.024 0.000 2.385 83 I HA 0.379 4.544 4.170 -0.009 0.000 0.294 83 I C 0.554 176.680 176.117 0.016 0.000 0.988 83 I CA -0.630 60.681 61.300 0.018 0.000 1.265 83 I CB 1.611 39.623 38.000 0.020 0.000 1.388 83 I HN 0.209 nan 8.210 nan 0.000 0.480 84 E N 7.584 127.790 120.200 0.010 0.000 2.174 84 E HA 0.357 4.702 4.350 -0.009 0.000 0.282 84 E C -2.307 174.297 176.600 0.006 0.000 0.992 84 E CA -1.889 54.520 56.400 0.014 0.000 0.803 84 E CB 1.028 30.737 29.700 0.014 0.000 1.090 84 E HN 0.281 nan 8.360 nan 0.000 0.396 85 P HA -0.041 nan 4.420 nan 0.000 0.265 85 P C -1.311 175.987 177.300 -0.004 0.000 1.193 85 P CA 0.312 63.417 63.100 0.008 0.000 0.765 85 P CB 0.456 32.238 31.700 0.137 0.000 0.823 86 Q N 2.081 121.768 119.800 -0.188 0.000 2.289 86 Q HA 0.556 4.890 4.340 -0.009 0.000 0.270 86 Q C -1.817 173.963 176.000 -0.365 0.000 1.038 86 Q CA -0.542 55.188 55.803 -0.122 0.000 0.812 86 Q CB 1.101 29.791 28.738 -0.079 0.000 1.300 86 Q HN 0.267 nan 8.270 nan 0.000 0.427 87 F N 1.330 121.304 119.950 0.041 0.000 2.565 87 F HA 0.406 4.928 4.527 -0.009 0.000 0.313 87 F C -0.557 175.307 175.800 0.107 0.000 1.091 87 F CA -0.728 57.303 58.000 0.052 0.000 0.915 87 F CB 1.899 40.916 39.000 0.028 0.000 1.208 87 F HN 0.574 nan 8.300 nan 0.000 0.453 88 H N 3.362 122.525 119.070 0.154 0.000 2.727 88 H HA 0.378 4.929 4.556 -0.009 0.000 0.330 88 H C -0.526 174.850 175.328 0.079 0.000 0.986 88 H CA -1.263 54.837 56.048 0.086 0.000 1.251 88 H CB 0.471 30.252 29.762 0.032 0.000 1.493 88 H HN 0.539 nan 8.280 nan 0.000 0.515 89 N N 4.283 122.847 118.700 -0.226 0.000 2.669 89 N HA -0.222 4.512 4.740 -0.009 0.000 0.266 89 N C 1.170 176.627 175.510 -0.088 0.000 1.024 89 N CA 1.667 54.586 53.050 -0.219 0.000 0.766 89 N CB -1.250 37.009 38.487 -0.381 0.000 0.898 89 N HN 1.162 nan 8.380 nan 0.000 0.548 90 G N -1.707 107.089 108.800 -0.007 0.000 2.498 90 G HA2 -0.348 3.607 3.960 -0.009 0.000 0.229 90 G HA3 -0.348 3.607 3.960 -0.009 0.000 0.229 90 G C 0.074 175.052 174.900 0.129 0.000 1.156 90 G CA 0.438 45.548 45.100 0.016 0.000 0.680 90 G HN 0.430 nan 8.290 nan 0.000 0.512 91 L N 1.473 122.757 121.223 0.101 0.000 2.350 91 L HA 0.561 4.895 4.340 -0.009 0.000 0.275 91 L C 1.109 178.083 176.870 0.173 0.000 1.099 91 L CA -0.783 54.116 54.840 0.098 0.000 0.808 91 L CB 1.147 43.158 42.059 -0.081 0.000 1.149 91 L HN 0.414 nan 8.230 nan 0.000 0.442 92 R N 2.112 122.648 120.500 0.061 0.000 2.401 92 R HA 0.261 4.595 4.340 -0.009 0.000 0.299 92 R C -0.988 175.181 176.300 -0.218 0.000 1.064 92 R CA -0.572 55.321 56.100 -0.344 0.000 1.000 92 R CB 0.707 30.775 30.300 -0.387 0.000 0.973 92 R HN 0.460 nan 8.270 nan 0.000 0.438 93 V N 5.525 125.291 119.914 -0.246 0.000 2.421 93 V HA 0.077 4.192 4.120 -0.009 0.000 0.271 93 V C -0.084 175.929 176.094 -0.134 0.000 1.031 93 V CA 0.234 62.456 62.300 -0.130 0.000 1.032 93 V CB 0.724 32.490 31.823 -0.094 0.000 1.009 93 V HN 0.890 nan 8.190 nan 0.000 0.477 94 T N 2.662 117.176 114.554 -0.068 0.000 2.912 94 T HA 0.424 4.768 4.350 -0.009 0.000 0.326 94 T C -0.368 174.372 174.700 0.067 0.000 1.080 94 T CA -0.942 61.147 62.100 -0.019 0.000 1.000 94 T CB 0.852 69.726 68.868 0.010 0.000 1.008 94 T HN 0.772 nan 8.240 nan 0.000 0.473 95 D N 2.479 122.913 120.400 0.058 0.000 2.433 95 D HA 0.493 5.127 4.640 -0.009 0.000 0.255 95 D C 1.630 178.052 176.300 0.202 0.000 1.226 95 D CA -0.681 53.401 54.000 0.136 0.000 1.015 95 D CB 0.263 41.095 40.800 0.054 0.000 1.091 95 D HN 0.341 nan 8.370 nan 0.000 0.527 96 A N 0.296 123.267 122.820 0.252 0.000 1.884 96 A HA -0.292 4.022 4.320 -0.009 0.000 0.219 96 A C 1.716 179.264 177.584 -0.060 0.000 1.197 96 A CA 2.326 54.373 52.037 0.017 0.000 0.637 96 A CB -0.991 18.028 19.000 0.033 0.000 0.827 96 A HN 0.638 nan 8.150 nan 0.000 0.450 97 D N -0.829 119.564 120.400 -0.013 0.000 2.104 97 D HA -0.093 4.542 4.640 -0.009 0.000 0.194 97 D C 2.127 178.412 176.300 -0.026 0.000 0.994 97 D CA 1.934 55.920 54.000 -0.023 0.000 0.830 97 D CB -0.885 39.911 40.800 -0.005 0.000 0.959 97 D HN 0.444 nan 8.370 nan 0.000 0.452 98 T N 0.839 115.385 114.554 -0.013 0.000 2.684 98 T HA -0.205 4.140 4.350 -0.009 0.000 0.267 98 T C 1.882 176.561 174.700 -0.034 0.000 1.036 98 T CA 1.423 63.513 62.100 -0.017 0.000 1.148 98 T CB -0.257 68.597 68.868 -0.024 0.000 0.863 98 T HN 0.042 nan 8.240 nan 0.000 0.436 99 M N 1.653 121.222 119.600 -0.052 0.000 2.108 99 M HA -0.105 4.370 4.480 -0.009 0.000 0.261 99 M C 1.993 178.224 176.300 -0.115 0.000 1.066 99 M CA 1.619 56.858 55.300 -0.101 0.000 1.107 99 M CB -0.530 31.939 32.600 -0.218 0.000 1.356 99 M HN 0.229 nan 8.290 nan 0.000 0.406 100 E N -1.057 119.070 120.200 -0.121 0.000 2.070 100 E HA -0.211 4.134 4.350 -0.009 0.000 0.197 100 E C 1.915 178.467 176.600 -0.080 0.000 1.004 100 E CA 1.852 58.190 56.400 -0.105 0.000 0.805 100 E CB -0.366 29.279 29.700 -0.092 0.000 0.744 100 E HN 0.426 nan 8.360 nan 0.000 0.451 101 V N 0.724 120.606 119.914 -0.054 0.000 2.379 101 V HA -0.200 3.914 4.120 -0.009 0.000 0.245 101 V C 2.350 178.421 176.094 -0.039 0.000 1.044 101 V CA 1.103 63.380 62.300 -0.038 0.000 1.036 101 V CB -0.308 31.528 31.823 0.022 0.000 0.664 101 V HN 0.122 nan 8.190 nan 0.000 0.453 102 V N -0.103 119.796 119.914 -0.025 0.000 2.282 102 V HA -0.330 3.785 4.120 -0.009 0.000 0.249 102 V C 2.486 178.567 176.094 -0.023 0.000 1.057 102 V CA 2.407 64.702 62.300 -0.009 0.000 1.032 102 V CB -0.549 31.268 31.823 -0.009 0.000 0.645 102 V HN 0.615 nan 8.190 nan 0.000 0.447 103 E N -0.564 119.609 120.200 -0.046 0.000 2.038 103 E HA -0.246 4.099 4.350 -0.009 0.000 0.195 103 E C 2.320 178.883 176.600 -0.061 0.000 1.000 103 E CA 1.766 58.137 56.400 -0.049 0.000 0.803 103 E CB -0.157 29.502 29.700 -0.069 0.000 0.750 103 E HN 0.529 nan 8.360 nan 0.000 0.448 104 M N -0.016 119.525 119.600 -0.097 0.000 2.108 104 M HA -0.188 4.287 4.480 -0.009 0.000 0.261 104 M C 2.373 178.568 176.300 -0.174 0.000 1.066 104 M CA 1.160 56.371 55.300 -0.147 0.000 1.107 104 M CB -0.177 32.302 32.600 -0.201 0.000 1.356 104 M HN 0.066 nan 8.290 nan 0.000 0.406 105 V N 0.697 120.515 119.914 -0.161 0.000 2.270 105 V HA -0.241 3.874 4.120 -0.009 0.000 0.245 105 V C 2.281 178.367 176.094 -0.013 0.000 1.043 105 V CA 1.629 63.848 62.300 -0.135 0.000 1.014 105 V CB -0.579 31.222 31.823 -0.037 0.000 0.645 105 V HN 0.444 nan 8.190 nan 0.000 0.447 106 L N -0.577 120.666 121.223 0.033 0.000 2.044 106 L HA -0.093 4.242 4.340 -0.009 0.000 0.205 106 L C 2.428 179.383 176.870 0.142 0.000 1.075 106 L CA 1.082 55.992 54.840 0.117 0.000 0.747 106 L CB -0.614 41.485 42.059 0.066 0.000 0.903 106 L HN 0.200 nan 8.230 nan 0.000 0.435 107 V N -0.068 119.879 119.914 0.055 0.000 2.346 107 V HA -0.083 4.032 4.120 -0.009 0.000 0.244 107 V C 2.509 178.618 176.094 0.025 0.000 1.037 107 V CA 1.885 64.215 62.300 0.050 0.000 1.029 107 V CB -0.899 30.931 31.823 0.012 0.000 0.663 107 V HN 0.520 nan 8.190 nan 0.000 0.454 108 G N -0.777 108.010 108.800 -0.023 0.000 2.411 108 G HA2 -0.145 3.810 3.960 -0.009 0.000 0.213 108 G HA3 -0.145 3.810 3.960 -0.009 0.000 0.213 108 G C 1.728 176.598 174.900 -0.050 0.000 1.166 108 G CA 0.732 45.799 45.100 -0.054 0.000 0.802 108 G HN 0.406 nan 8.290 nan 0.000 0.533 109 R N -0.629 119.840 120.500 -0.051 0.000 2.084 109 R HA 0.191 4.525 4.340 -0.009 0.000 0.209 109 R C 2.517 178.824 176.300 0.012 0.000 1.173 109 R CA 0.631 56.711 56.100 -0.033 0.000 1.053 109 R CB -0.186 30.075 30.300 -0.065 0.000 0.948 109 R HN 0.122 nan 8.270 nan 0.000 0.460 110 V N 2.365 122.304 119.914 0.041 0.000 2.270 110 V HA -0.247 3.867 4.120 -0.009 0.000 0.245 110 V C 2.312 178.354 176.094 -0.086 0.000 1.043 110 V CA 2.043 64.357 62.300 0.023 0.000 1.014 110 V CB -0.857 31.027 31.823 0.101 0.000 0.645 110 V HN 0.508 nan 8.190 nan 0.000 0.447 111 N N 0.432 119.139 118.700 0.012 0.000 2.060 111 N HA -0.248 4.486 4.740 -0.009 0.000 0.195 111 N C 1.772 177.267 175.510 -0.025 0.000 1.028 111 N CA 1.583 54.646 53.050 0.022 0.000 0.861 111 N CB -0.021 38.602 38.487 0.227 0.000 1.029 111 N HN 0.290 nan 8.380 nan 0.000 0.428 112 K N 0.892 121.286 120.400 -0.011 0.000 2.288 112 K HA -0.076 4.238 4.320 -0.009 0.000 0.201 112 K C 1.417 178.004 176.600 -0.023 0.000 1.048 112 K CA 0.613 56.887 56.287 -0.021 0.000 0.956 112 K CB -0.609 31.878 32.500 -0.021 0.000 0.746 112 K HN 0.381 nan 8.250 nan 0.000 0.461 113 D N 0.789 121.176 120.400 -0.022 0.000 2.117 113 D HA -0.076 4.559 4.640 -0.009 0.000 0.198 113 D C 1.780 178.062 176.300 -0.030 0.000 0.982 113 D CA 0.893 54.886 54.000 -0.012 0.000 0.828 113 D CB 0.091 40.897 40.800 0.009 0.000 0.967 113 D HN 0.109 nan 8.370 nan 0.000 0.464 114 I N -0.392 120.139 120.570 -0.065 0.000 2.202 114 I HA -0.200 3.965 4.170 -0.009 0.000 0.242 114 I C 2.417 178.495 176.117 -0.065 0.000 1.091 114 I CA 0.458 61.702 61.300 -0.094 0.000 1.368 114 I CB -0.198 37.710 38.000 -0.154 0.000 1.058 114 I HN -0.011 nan 8.210 nan 0.000 0.410 115 V N -0.078 119.810 119.914 -0.043 0.000 2.261 115 V HA -0.328 3.787 4.120 -0.009 0.000 0.246 115 V C 2.629 178.712 176.094 -0.018 0.000 1.047 115 V CA 2.296 64.583 62.300 -0.022 0.000 1.015 115 V CB -0.629 31.180 31.823 -0.023 0.000 0.642 115 V HN 0.450 nan 8.190 nan 0.000 0.446 116 S N -0.630 115.059 115.700 -0.019 0.000 2.365 116 S HA -0.269 4.195 4.470 -0.009 0.000 0.225 116 S C 2.172 176.766 174.600 -0.012 0.000 1.039 116 S CA 2.038 60.230 58.200 -0.012 0.000 1.033 116 S CB -0.237 62.957 63.200 -0.010 0.000 0.887 116 S HN 0.568 nan 8.310 nan 0.000 0.447 117 R N 0.087 120.575 120.500 -0.020 0.000 2.075 117 R HA 0.063 4.398 4.340 -0.009 0.000 0.232 117 R C 2.354 178.641 176.300 -0.021 0.000 1.126 117 R CA 1.632 57.720 56.100 -0.021 0.000 0.963 117 R CB -0.484 29.797 30.300 -0.032 0.000 0.858 117 R HN 0.450 nan 8.270 nan 0.000 0.435 118 I N 1.414 121.967 120.570 -0.028 0.000 2.208 118 I HA -0.317 3.848 4.170 -0.009 0.000 0.245 118 I C 1.712 177.828 176.117 -0.002 0.000 1.097 118 I CA 1.192 62.482 61.300 -0.016 0.000 1.363 118 I CB -0.356 37.636 38.000 -0.014 0.000 1.051 118 I HN 0.169 nan 8.210 nan 0.000 0.413 119 N N 0.360 119.061 118.700 0.002 0.000 2.104 119 N HA -0.171 4.564 4.740 -0.009 0.000 0.190 119 N C 1.933 177.445 175.510 0.004 0.000 1.024 119 N CA 2.152 55.206 53.050 0.007 0.000 0.853 119 N CB -0.691 37.802 38.487 0.010 0.000 1.008 119 N HN 0.483 nan 8.380 nan 0.000 0.424 120 T N -3.566 110.988 114.554 0.001 0.000 3.055 120 T HA 0.033 4.378 4.350 -0.009 0.000 0.265 120 T C 1.620 176.322 174.700 0.004 0.000 1.111 120 T CA 0.971 63.072 62.100 0.002 0.000 1.118 120 T CB -0.487 68.382 68.868 0.002 0.000 0.909 120 T HN 0.012 nan 8.240 nan 0.000 0.501 121 T N 0.824 115.380 114.554 0.004 0.000 3.085 121 T HA 0.381 4.726 4.350 -0.009 0.000 0.263 121 T C 1.672 176.378 174.700 0.010 0.000 1.127 121 T CA 0.771 62.877 62.100 0.010 0.000 1.103 121 T CB -0.369 68.507 68.868 0.012 0.000 0.921 121 T HN 0.774 nan 8.240 nan 0.000 0.510 122 G N 0.653 109.455 108.800 0.003 0.000 2.184 122 G HA2 -0.076 3.878 3.960 -0.009 0.000 0.206 122 G HA3 -0.076 3.878 3.960 -0.009 0.000 0.206 122 G C 0.386 175.278 174.900 -0.013 0.000 0.995 122 G CA -0.375 44.722 45.100 -0.004 0.000 0.651 122 G HN 0.824 nan 8.290 nan 0.000 0.511 123 G N -0.555 108.242 108.800 -0.006 0.000 2.588 123 G HA2 0.581 4.535 3.960 -0.009 0.000 0.281 123 G HA3 0.581 4.535 3.960 -0.009 0.000 0.281 123 G C -0.100 174.795 174.900 -0.008 0.000 1.236 123 G CA -0.734 44.359 45.100 -0.012 0.000 0.969 123 G HN 0.424 nan 8.290 nan 0.000 0.504 124 R N 0.029 120.523 120.500 -0.010 0.000 2.352 124 R HA 0.522 4.856 4.340 -0.009 0.000 0.304 124 R C -0.175 176.226 176.300 0.168 0.000 1.104 124 R CA -0.336 55.794 56.100 0.050 0.000 0.991 124 R CB 1.581 31.841 30.300 -0.067 0.000 1.140 124 R HN 0.588 nan 8.270 nan 0.000 0.540 125 A N 2.341 125.238 122.820 0.129 0.000 2.303 125 A HA 0.682 4.996 4.320 -0.009 0.000 0.317 125 A C -0.379 177.262 177.584 0.094 0.000 1.149 125 A CA -0.549 51.559 52.037 0.119 0.000 0.822 125 A CB 1.126 20.159 19.000 0.055 0.000 1.131 125 A HN 0.396 nan 8.150 nan 0.000 0.493 126 V N 1.297 121.251 119.914 0.068 0.000 2.577 126 V HA 0.632 4.747 4.120 -0.009 0.000 0.303 126 V C 0.584 176.578 176.094 -0.166 0.000 1.042 126 V CA -0.250 61.988 62.300 -0.103 0.000 0.872 126 V CB 1.779 33.511 31.823 -0.150 0.000 0.998 126 V HN 1.195 nan 8.190 nan 0.000 0.423 127 G N 3.327 111.955 108.800 -0.288 0.000 2.335 127 G HA2 0.709 4.663 3.960 -0.009 0.000 0.316 127 G HA3 0.709 4.663 3.960 -0.009 0.000 0.316 127 G C -1.200 173.469 174.900 -0.384 0.000 1.129 127 G CA -0.161 44.833 45.100 -0.177 0.000 0.899 127 G HN 0.379 nan 8.290 nan 0.000 0.448 128 F N 0.399 120.376 119.950 0.045 0.000 2.618 128 F HA 0.645 5.166 4.527 -0.010 0.000 0.332 128 F C 0.907 176.725 175.800 0.030 0.000 1.061 128 F CA -0.750 57.266 58.000 0.026 0.000 0.974 128 F CB 1.952 40.961 39.000 0.015 0.000 1.310 128 F HN 0.734 nan 8.300 nan 0.000 0.491 129 C N -1.132 118.304 119.300 0.227 0.000 2.871 129 C HA 0.785 5.240 4.460 -0.009 0.000 0.351 129 C C 1.547 176.605 174.990 0.114 0.000 1.338 129 C CA -0.044 59.050 59.018 0.127 0.000 1.686 129 C CB 1.002 28.785 27.740 0.072 0.000 2.135 129 C HN 1.041 nan 8.230 nan 0.000 0.476 130 G N -0.007 108.831 108.800 0.063 0.000 2.450 130 G HA2 -0.156 3.798 3.960 -0.009 0.000 0.220 130 G HA3 -0.156 3.798 3.960 -0.009 0.000 0.220 130 G C 1.494 176.420 174.900 0.043 0.000 1.130 130 G CA 1.876 47.000 45.100 0.040 0.000 0.760 130 G HN 1.196 nan 8.290 nan 0.000 0.557 131 T N -0.214 114.375 114.554 0.058 0.000 3.023 131 T HA -0.001 4.344 4.350 -0.009 0.000 0.266 131 T C 0.672 175.408 174.700 0.061 0.000 1.093 131 T CA 0.322 62.453 62.100 0.052 0.000 1.129 131 T CB -0.340 68.556 68.868 0.047 0.000 0.899 131 T HN 0.159 nan 8.240 nan 0.000 0.491 132 D N 1.807 122.268 120.400 0.103 0.000 2.412 132 D HA 0.282 4.917 4.640 -0.009 0.000 0.257 132 D C 1.357 177.718 176.300 0.101 0.000 1.217 132 D CA 1.021 55.113 54.000 0.154 0.000 0.897 132 D CB 0.514 41.517 40.800 0.339 0.000 1.132 132 D HN 0.569 nan 8.370 nan 0.000 0.493 133 G N 3.937 112.778 108.800 0.069 0.000 2.233 133 G HA2 -0.413 3.541 3.960 -0.009 0.000 0.270 133 G HA3 -0.413 3.541 3.960 -0.009 0.000 0.270 133 G C 0.711 175.605 174.900 -0.009 0.000 1.011 133 G CA 0.283 45.395 45.100 0.020 0.000 0.762 133 G HN 0.654 nan 8.290 nan 0.000 0.511 134 R N -1.872 118.629 120.500 0.003 0.000 3.516 134 R HA -0.206 4.128 4.340 -0.009 0.000 0.271 134 R C 1.771 178.053 176.300 -0.030 0.000 1.098 134 R CA 1.095 57.191 56.100 -0.007 0.000 0.732 134 R CB -2.095 28.200 30.300 -0.008 0.000 1.152 134 R HN 0.618 nan 8.270 nan 0.000 0.455 135 L N -0.145 121.049 121.223 -0.048 0.000 1.997 135 L HA -0.168 4.166 4.340 -0.009 0.000 0.216 135 L C 0.649 177.489 176.870 -0.050 0.000 1.074 135 L CA 1.866 56.655 54.840 -0.084 0.000 0.763 135 L CB 0.201 42.184 42.059 -0.126 0.000 0.890 135 L HN 0.066 nan 8.230 nan 0.000 0.434 136 V N 0.657 120.557 119.914 -0.024 0.000 2.483 136 V HA 0.283 4.398 4.120 -0.009 0.000 0.297 136 V C -0.046 176.044 176.094 -0.007 0.000 1.027 136 V CA -0.535 61.756 62.300 -0.015 0.000 0.855 136 V CB 2.051 33.872 31.823 -0.003 0.000 0.995 136 V HN 0.072 nan 8.190 nan 0.000 0.424 137 L N 4.454 125.667 121.223 -0.018 0.000 2.276 137 L HA 0.756 5.091 4.340 -0.009 0.000 0.286 137 L C 0.506 177.349 176.870 -0.046 0.000 1.061 137 L CA -0.221 54.606 54.840 -0.023 0.000 0.807 137 L CB 1.443 43.485 42.059 -0.028 0.000 1.177 137 L HN 0.828 nan 8.230 nan 0.000 0.429 138 A N 5.866 128.649 122.820 -0.061 0.000 2.293 138 A HA 0.736 5.050 4.320 -0.009 0.000 0.302 138 A C -0.412 176.994 177.584 -0.296 0.000 1.119 138 A CA -0.589 51.357 52.037 -0.152 0.000 0.823 138 A CB 0.910 19.839 19.000 -0.119 0.000 1.097 138 A HN 0.892 nan 8.150 nan 0.000 0.491 139 R N 0.645 120.927 120.500 -0.363 0.000 2.867 139 R HA 0.729 5.063 4.340 -0.009 0.000 0.268 139 R C -3.268 172.720 176.300 -0.520 0.000 1.014 139 R CA -1.956 53.894 56.100 -0.417 0.000 0.946 139 R CB 0.903 31.077 30.300 -0.210 0.000 1.208 139 R HN 0.332 nan 8.270 nan 0.000 0.477 140 P HA -0.022 nan 4.420 nan 0.000 0.271 140 P C -0.889 176.403 177.300 -0.013 0.000 1.216 140 P CA 0.000 63.008 63.100 -0.154 0.000 0.776 140 P CB 0.378 32.097 31.700 0.032 0.000 0.881 141 H N 3.063 122.142 119.070 0.014 0.000 2.790 141 H HA -0.010 4.540 4.556 -0.009 0.000 0.358 141 H C 0.784 176.121 175.328 0.016 0.000 1.103 141 H CA 0.633 56.693 56.048 0.020 0.000 1.426 141 H CB 0.667 30.463 29.762 0.058 0.000 1.424 141 H HN 0.411 nan 8.280 nan 0.000 0.599 142 D N 2.033 122.279 120.400 -0.256 0.000 2.149 142 D HA -0.177 4.458 4.640 -0.009 0.000 0.198 142 D C 0.709 177.074 176.300 0.108 0.000 0.990 142 D CA 1.073 55.025 54.000 -0.080 0.000 0.839 142 D CB -0.001 40.701 40.800 -0.163 0.000 0.948 142 D HN 0.472 nan 8.370 nan 0.000 0.460 143 Q N 1.412 121.422 119.800 0.351 0.000 2.244 143 Q HA 0.047 4.382 4.340 -0.009 0.000 0.278 143 Q C -0.782 175.326 176.000 0.180 0.000 1.093 143 Q CA 0.376 56.345 55.803 0.276 0.000 0.916 143 Q CB 0.398 29.309 28.738 0.287 0.000 1.159 143 Q HN -0.143 nan 8.270 nan 0.000 0.384 144 E N 2.060 122.323 120.200 0.104 0.000 2.207 144 E HA 0.665 5.009 4.350 -0.009 0.000 0.270 144 E C 0.116 176.726 176.600 0.017 0.000 0.927 144 E CA 0.383 56.813 56.400 0.050 0.000 0.799 144 E CB 1.414 31.130 29.700 0.027 0.000 1.172 144 E HN 0.656 nan 8.360 nan 0.000 0.404 145 G N 2.839 111.626 108.800 -0.022 0.000 2.144 145 G HA2 -0.211 3.744 3.960 -0.009 0.000 0.218 145 G HA3 -0.211 3.744 3.960 -0.009 0.000 0.218 145 G C 0.592 175.454 174.900 -0.064 0.000 0.988 145 G CA 0.319 45.386 45.100 -0.055 0.000 0.659 145 G HN 0.617 nan 8.290 nan 0.000 0.522 146 I N -2.500 118.046 120.570 -0.042 0.000 4.009 146 I HA 0.587 4.752 4.170 -0.009 0.000 0.331 146 I C 1.279 177.351 176.117 -0.074 0.000 1.462 146 I CA 0.334 61.611 61.300 -0.038 0.000 1.117 146 I CB 0.234 38.244 38.000 0.017 0.000 1.091 146 I HN 1.230 nan 8.210 nan 0.000 0.410 147 G N 2.494 111.203 108.800 -0.152 0.000 2.527 147 G HA2 -0.311 3.644 3.960 -0.009 0.000 0.268 147 G HA3 -0.311 3.644 3.960 -0.009 0.000 0.268 147 G C -0.290 174.396 174.900 -0.357 0.000 1.175 147 G CA 0.270 45.175 45.100 -0.326 0.000 0.962 147 G HN 0.324 nan 8.290 nan 0.000 0.560 148 F N 1.365 121.251 119.950 -0.107 0.000 2.833 148 F HA 0.489 5.011 4.527 -0.009 0.000 0.327 148 F C 0.986 176.802 175.800 0.026 0.000 1.184 148 F CA -0.266 57.579 58.000 -0.258 0.000 1.328 148 F CB 0.455 39.088 39.000 -0.612 0.000 1.440 148 F HN 0.255 nan 8.300 nan 0.000 0.569 149 V N 0.833 120.905 119.914 0.264 0.000 2.465 149 V HA 0.604 4.718 4.120 -0.009 0.000 0.279 149 V C 0.738 177.087 176.094 0.425 0.000 1.045 149 V CA -0.640 61.813 62.300 0.256 0.000 0.938 149 V CB 1.050 32.908 31.823 0.059 0.000 0.986 149 V HN 0.508 nan 8.190 nan 0.000 0.467 150 G N 2.966 111.994 108.800 0.379 0.000 2.471 150 G HA2 0.655 4.609 3.960 -0.009 0.000 0.332 150 G HA3 0.655 4.609 3.960 -0.009 0.000 0.332 150 G C -1.071 173.941 174.900 0.186 0.000 1.176 150 G CA -0.321 44.922 45.100 0.237 0.000 0.949 150 G HN 0.625 nan 8.290 nan 0.000 0.488 151 E N -0.422 119.808 120.200 0.051 0.000 2.263 151 E HA 0.495 4.839 4.350 -0.009 0.000 0.264 151 E C -0.591 175.991 176.600 -0.030 0.000 0.923 151 E CA -0.684 55.730 56.400 0.022 0.000 0.802 151 E CB 1.994 31.649 29.700 -0.074 0.000 1.228 151 E HN 0.222 nan 8.360 nan 0.000 0.417 152 V N 5.275 125.180 119.914 -0.016 0.000 2.415 152 V HA 0.068 4.183 4.120 -0.009 0.000 0.267 152 V C 1.406 177.473 176.094 -0.046 0.000 1.042 152 V CA 0.339 62.624 62.300 -0.026 0.000 1.000 152 V CB 0.395 32.212 31.823 -0.011 0.000 1.015 152 V HN 0.745 nan 8.190 nan 0.000 0.478 153 N N 3.053 121.717 118.700 -0.060 0.000 2.305 153 N HA -0.018 4.716 4.740 -0.009 0.000 0.179 153 N C 0.579 176.061 175.510 -0.045 0.000 1.019 153 N CA 0.942 53.954 53.050 -0.063 0.000 0.869 153 N CB 0.491 38.930 38.487 -0.080 0.000 1.000 153 N HN 0.752 nan 8.380 nan 0.000 0.431 154 S N -0.411 115.265 115.700 -0.039 0.000 2.570 154 S HA 0.551 5.016 4.470 -0.009 0.000 0.270 154 S C -1.056 173.527 174.600 -0.029 0.000 1.149 154 S CA -0.855 57.327 58.200 -0.031 0.000 0.837 154 S CB 2.287 65.470 63.200 -0.029 0.000 1.124 154 S HN -0.115 nan 8.310 nan 0.000 0.465 155 V N 1.759 121.656 119.914 -0.028 0.000 2.604 155 V HA 0.588 4.703 4.120 -0.009 0.000 0.305 155 V C -0.460 175.613 176.094 -0.036 0.000 1.043 155 V CA -0.695 61.585 62.300 -0.032 0.000 0.888 155 V CB 1.519 33.325 31.823 -0.029 0.000 0.995 155 V HN 1.013 nan 8.190 nan 0.000 0.429 156 N N 1.636 120.308 118.700 -0.046 0.000 2.524 156 N HA 0.239 4.973 4.740 -0.009 0.000 0.261 156 N C 0.777 176.244 175.510 -0.072 0.000 0.998 156 N CA -0.044 52.976 53.050 -0.049 0.000 0.915 156 N CB 1.401 39.862 38.487 -0.043 0.000 1.187 156 N HN 0.702 nan 8.380 nan 0.000 0.507 157 S N 2.102 117.763 115.700 -0.065 0.000 2.575 157 S HA 0.034 4.499 4.470 -0.009 0.000 0.215 157 S C 1.031 175.581 174.600 -0.084 0.000 0.966 157 S CA -0.015 58.136 58.200 -0.083 0.000 0.911 157 S CB 0.006 63.173 63.200 -0.057 0.000 0.780 157 S HN 0.647 nan 8.310 nan 0.000 0.514 158 E N 1.174 121.334 120.200 -0.067 0.000 2.219 158 E HA -0.131 4.214 4.350 -0.009 0.000 0.198 158 E C 1.684 178.240 176.600 -0.073 0.000 0.998 158 E CA 1.596 57.963 56.400 -0.055 0.000 0.818 158 E CB -0.366 29.310 29.700 -0.040 0.000 0.741 158 E HN 0.616 nan 8.360 nan 0.000 0.477 159 V N 0.818 120.659 119.914 -0.122 0.000 2.591 159 V HA -0.145 3.969 4.120 -0.009 0.000 0.249 159 V C 2.200 178.172 176.094 -0.203 0.000 1.053 159 V CA 1.431 63.638 62.300 -0.155 0.000 1.068 159 V CB -0.609 31.074 31.823 -0.233 0.000 0.689 159 V HN 0.346 nan 8.190 nan 0.000 0.462 160 I N -0.553 119.872 120.570 -0.242 0.000 3.708 160 I HA 0.133 4.298 4.170 -0.009 0.000 0.302 160 I C 2.329 178.410 176.117 -0.061 0.000 1.255 160 I CA 0.687 61.862 61.300 -0.208 0.000 1.362 160 I CB -0.405 37.417 38.000 -0.296 0.000 1.100 160 I HN 0.349 nan 8.210 nan 0.000 0.434 161 E N 2.851 123.023 120.200 -0.048 0.000 2.072 161 E HA -0.082 4.263 4.350 -0.009 0.000 0.191 161 E C -0.720 175.894 176.600 0.022 0.000 0.985 161 E CA 0.841 57.238 56.400 -0.006 0.000 0.801 161 E CB -1.805 27.891 29.700 -0.007 0.000 0.750 161 E HN 0.365 nan 8.360 nan 0.000 0.452 162 P HA -0.128 nan 4.420 nan 0.000 0.216 162 P C 1.668 179.018 177.300 0.083 0.000 1.150 162 P CA 1.095 64.220 63.100 0.042 0.000 0.837 162 P CB -0.112 31.604 31.700 0.027 0.000 0.786 163 L N -1.565 119.706 121.223 0.080 0.000 2.046 163 L HA -0.179 4.155 4.340 -0.009 0.000 0.208 163 L C 2.514 179.525 176.870 0.235 0.000 1.077 163 L CA 1.348 56.280 54.840 0.153 0.000 0.747 163 L CB -0.969 41.142 42.059 0.088 0.000 0.896 163 L HN -0.018 nan 8.230 nan 0.000 0.432 164 L N -0.645 120.662 121.223 0.139 0.000 2.017 164 L HA -0.214 4.120 4.340 -0.009 0.000 0.208 164 L C 2.779 179.708 176.870 0.099 0.000 1.073 164 L CA 1.186 56.096 54.840 0.116 0.000 0.745 164 L CB -0.537 41.563 42.059 0.069 0.000 0.894 164 L HN 0.292 nan 8.230 nan 0.000 0.432 165 E N 0.198 120.448 120.200 0.083 0.000 2.130 165 E HA -0.234 4.111 4.350 -0.009 0.000 0.196 165 E C 2.123 178.767 176.600 0.073 0.000 0.998 165 E CA 1.235 57.674 56.400 0.065 0.000 0.806 165 E CB -0.115 29.617 29.700 0.055 0.000 0.738 165 E HN 0.461 nan 8.360 nan 0.000 0.459 166 R N -0.860 119.714 120.500 0.123 0.000 2.310 166 R HA 0.041 4.375 4.340 -0.009 0.000 0.202 166 R C 1.126 177.434 176.300 0.012 0.000 0.933 166 R CA 0.563 56.734 56.100 0.119 0.000 1.054 166 R CB 0.405 30.860 30.300 0.258 0.000 0.985 166 R HN 0.255 nan 8.270 nan 0.000 0.489 167 G N 0.068 108.886 108.800 0.030 0.000 2.157 167 G HA2 -0.290 3.665 3.960 -0.009 0.000 0.239 167 G HA3 -0.290 3.665 3.960 -0.009 0.000 0.239 167 G C -0.136 174.706 174.900 -0.097 0.000 0.982 167 G CA -0.306 44.761 45.100 -0.056 0.000 0.650 167 G HN 0.265 nan 8.290 nan 0.000 0.527 168 Y N -0.298 120.026 120.300 0.039 0.000 2.357 168 Y HA 0.566 5.113 4.550 -0.005 0.000 0.340 168 Y C 1.386 177.321 175.900 0.058 0.000 1.260 168 Y CA -0.173 57.957 58.100 0.049 0.000 1.425 168 Y CB 0.626 39.127 38.460 0.068 0.000 1.326 168 Y HN 0.107 nan 8.280 nan 0.000 0.580 169 I N 4.630 125.339 120.570 0.231 0.000 2.337 169 I HA 0.265 4.430 4.170 -0.009 0.000 0.285 169 I C -2.491 173.737 176.117 0.185 0.000 1.041 169 I CA -2.223 59.172 61.300 0.158 0.000 1.199 169 I CB 0.903 38.961 38.000 0.096 0.000 1.370 169 I HN 0.279 nan 8.210 nan 0.000 0.470 170 P HA 0.106 nan 4.420 nan 0.000 0.271 170 P C -0.704 176.725 177.300 0.215 0.000 1.220 170 P CA -0.098 63.162 63.100 0.268 0.000 0.768 170 P CB 0.880 32.714 31.700 0.223 0.000 0.848 171 V N 5.805 125.860 119.914 0.235 0.000 2.350 171 V HA 0.375 4.490 4.120 -0.009 0.000 0.285 171 V C 0.167 176.431 176.094 0.284 0.000 1.014 171 V CA -0.324 62.105 62.300 0.215 0.000 0.831 171 V CB 1.085 32.992 31.823 0.140 0.000 1.000 171 V HN 0.401 nan 8.190 nan 0.000 0.433 172 I N 4.604 125.338 120.570 0.272 0.000 2.382 172 I HA 0.414 4.578 4.170 -0.009 0.000 0.286 172 I C 0.579 176.718 176.117 0.037 0.000 1.002 172 I CA -0.163 61.254 61.300 0.195 0.000 1.135 172 I CB 2.063 40.139 38.000 0.127 0.000 1.288 172 I HN 0.689 nan 8.210 nan 0.000 0.448 173 S N 2.914 118.580 115.700 -0.058 0.000 2.610 173 S HA 0.209 4.673 4.470 -0.009 0.000 0.273 173 S C 0.945 175.428 174.600 -0.196 0.000 1.274 173 S CA -0.506 57.434 58.200 -0.434 0.000 1.023 173 S CB 1.540 64.611 63.200 -0.215 0.000 0.962 173 S HN 0.700 nan 8.310 nan 0.000 0.523 174 S N 0.369 115.945 115.700 -0.207 0.000 2.603 174 S HA 0.134 4.598 4.470 -0.009 0.000 0.220 174 S C 0.362 174.957 174.600 -0.009 0.000 0.967 174 S CA -0.482 57.674 58.200 -0.073 0.000 0.920 174 S CB -0.578 62.590 63.200 -0.054 0.000 0.773 174 S HN 0.556 nan 8.310 nan 0.000 0.529 175 V N 2.156 122.066 119.914 -0.007 0.000 2.530 175 V HA 0.706 4.821 4.120 -0.009 0.000 0.282 175 V C 0.364 176.490 176.094 0.053 0.000 1.048 175 V CA 0.079 62.399 62.300 0.034 0.000 0.997 175 V CB 0.607 32.441 31.823 0.018 0.000 0.987 175 V HN 0.622 nan 8.190 nan 0.000 0.477 176 A N 4.169 127.044 122.820 0.091 0.000 2.515 176 A HA 0.887 5.202 4.320 -0.009 0.000 0.298 176 A C -0.263 177.408 177.584 0.144 0.000 1.059 176 A CA -0.320 51.771 52.037 0.090 0.000 0.698 176 A CB 1.570 20.608 19.000 0.064 0.000 1.289 176 A HN 1.269 nan 8.150 nan 0.000 0.404 177 A N 1.394 124.281 122.820 0.112 0.000 2.401 177 A HA 0.511 4.825 4.320 -0.009 0.000 0.259 177 A C 0.275 177.945 177.584 0.143 0.000 1.103 177 A CA 0.194 52.318 52.037 0.145 0.000 0.789 177 A CB -0.246 18.804 19.000 0.083 0.000 1.035 177 A HN 0.996 nan 8.150 nan 0.000 0.491 178 D N 0.479 121.029 120.400 0.251 0.000 2.438 178 D HA -0.137 4.497 4.640 -0.009 0.000 0.230 178 D C 1.423 177.768 176.300 0.075 0.000 1.248 178 D CA 1.216 55.307 54.000 0.152 0.000 0.883 178 D CB 0.545 41.556 40.800 0.353 0.000 1.233 178 D HN 0.707 nan 8.370 nan 0.000 0.500 179 E N 1.187 121.407 120.200 0.034 0.000 2.418 179 E HA -0.213 4.131 4.350 -0.009 0.000 0.197 179 E C 0.320 176.944 176.600 0.040 0.000 1.026 179 E CA 0.696 57.111 56.400 0.025 0.000 0.862 179 E CB -0.017 29.686 29.700 0.005 0.000 0.799 179 E HN 0.406 nan 8.360 nan 0.000 0.518 180 N N -0.132 118.607 118.700 0.065 0.000 2.254 180 N HA 0.073 4.808 4.740 -0.009 0.000 0.190 180 N C 0.972 176.516 175.510 0.057 0.000 1.107 180 N CA 0.874 53.960 53.050 0.060 0.000 0.869 180 N CB 1.394 39.924 38.487 0.073 0.000 0.983 180 N HN 0.387 nan 8.380 nan 0.000 0.487 181 G N 0.948 109.790 108.800 0.069 0.000 2.211 181 G HA2 -0.244 3.711 3.960 -0.009 0.000 0.201 181 G HA3 -0.244 3.711 3.960 -0.009 0.000 0.201 181 G C 0.062 174.987 174.900 0.041 0.000 0.997 181 G CA -0.261 44.867 45.100 0.047 0.000 0.652 181 G HN 0.372 nan 8.290 nan 0.000 0.500 182 Q N 2.112 121.960 119.800 0.080 0.000 2.297 182 Q HA 0.622 4.956 4.340 -0.009 0.000 0.267 182 Q C 0.524 176.553 176.000 0.048 0.000 1.006 182 Q CA 0.291 56.094 55.803 0.001 0.000 0.896 182 Q CB 0.593 29.361 28.738 0.049 0.000 1.186 182 Q HN 0.312 nan 8.270 nan 0.000 0.392 183 S N 3.697 119.323 115.700 -0.123 0.000 2.572 183 S HA 0.425 4.889 4.470 -0.009 0.000 0.279 183 S C -0.678 173.844 174.600 -0.130 0.000 1.341 183 S CA -0.092 58.077 58.200 -0.052 0.000 1.043 183 S CB 0.198 63.328 63.200 -0.117 0.000 0.887 183 S HN 0.508 nan 8.310 nan 0.000 0.516 184 F N 1.371 121.332 119.950 0.018 0.000 2.576 184 F HA 0.382 4.903 4.527 -0.009 0.000 0.313 184 F C 0.200 176.034 175.800 0.057 0.000 1.078 184 F CA -1.039 57.011 58.000 0.083 0.000 0.921 184 F CB 1.533 40.599 39.000 0.111 0.000 1.232 184 F HN 0.403 nan 8.300 nan 0.000 0.459 185 N N 3.391 122.227 118.700 0.226 0.000 2.439 185 N HA 0.434 5.169 4.740 -0.009 0.000 0.249 185 N C -1.224 174.378 175.510 0.154 0.000 1.003 185 N CA -0.058 53.074 53.050 0.136 0.000 0.942 185 N CB 0.271 38.805 38.487 0.079 0.000 1.115 185 N HN 0.490 nan 8.380 nan 0.000 0.505 186 I N 1.839 122.480 120.570 0.119 0.000 2.460 186 I HA 0.242 4.406 4.170 -0.009 0.000 0.298 186 I C 0.826 176.985 176.117 0.070 0.000 0.989 186 I CA -1.070 60.292 61.300 0.104 0.000 1.173 186 I CB 1.248 39.302 38.000 0.090 0.000 1.338 186 I HN 0.484 nan 8.210 nan 0.000 0.456 187 N N 3.964 122.706 118.700 0.071 0.000 2.359 187 N HA -0.040 4.694 4.740 -0.009 0.000 0.261 187 N C 0.831 176.367 175.510 0.044 0.000 1.267 187 N CA 0.398 53.482 53.050 0.057 0.000 0.864 187 N CB 1.378 39.901 38.487 0.059 0.000 1.063 187 N HN 0.861 nan 8.380 nan 0.000 0.474 188 A N 4.282 127.122 122.820 0.034 0.000 1.930 188 A HA -0.156 4.159 4.320 -0.009 0.000 0.217 188 A C 1.636 179.239 177.584 0.032 0.000 1.175 188 A CA 1.283 53.334 52.037 0.022 0.000 0.627 188 A CB -0.166 18.844 19.000 0.016 0.000 0.815 188 A HN 0.780 nan 8.150 nan 0.000 0.443 189 D N -0.374 120.047 120.400 0.036 0.000 2.104 189 D HA -0.160 4.474 4.640 -0.009 0.000 0.194 189 D C 2.323 178.643 176.300 0.033 0.000 0.994 189 D CA 2.330 56.351 54.000 0.035 0.000 0.830 189 D CB -0.668 40.150 40.800 0.031 0.000 0.959 189 D HN 0.593 nan 8.370 nan 0.000 0.452 190 T N -1.051 113.525 114.554 0.037 0.000 2.904 190 T HA -0.066 4.279 4.350 -0.009 0.000 0.267 190 T C 2.147 176.863 174.700 0.028 0.000 1.059 190 T CA 0.986 63.107 62.100 0.035 0.000 1.137 190 T CB -0.485 68.412 68.868 0.049 0.000 0.879 190 T HN -0.048 nan 8.240 nan 0.000 0.467 191 V N 2.246 122.177 119.914 0.028 0.000 2.295 191 V HA -0.066 4.049 4.120 -0.009 0.000 0.246 191 V C 3.315 179.420 176.094 0.019 0.000 1.049 191 V CA 1.776 64.087 62.300 0.019 0.000 1.024 191 V CB -1.541 30.290 31.823 0.013 0.000 0.648 191 V HN 0.706 nan 8.190 nan 0.000 0.447 192 A N 0.497 123.333 122.820 0.027 0.000 1.917 192 A HA -0.168 4.147 4.320 -0.009 0.000 0.219 192 A C 2.425 180.024 177.584 0.025 0.000 1.182 192 A CA 2.185 54.241 52.037 0.033 0.000 0.633 192 A CB -1.331 17.697 19.000 0.045 0.000 0.819 192 A HN 0.553 nan 8.150 nan 0.000 0.448 193 G N -0.699 108.113 108.800 0.021 0.000 2.418 193 G HA2 -0.177 3.778 3.960 -0.009 0.000 0.217 193 G HA3 -0.177 3.778 3.960 -0.009 0.000 0.217 193 G C 1.382 176.287 174.900 0.008 0.000 1.158 193 G CA 1.068 46.177 45.100 0.015 0.000 0.771 193 G HN 0.488 nan 8.290 nan 0.000 0.545 194 E N 0.533 120.737 120.200 0.007 0.000 2.112 194 E HA -0.003 4.341 4.350 -0.009 0.000 0.190 194 E C 2.694 179.291 176.600 -0.004 0.000 0.979 194 E CA 0.122 56.522 56.400 -0.001 0.000 0.814 194 E CB -0.205 29.493 29.700 -0.003 0.000 0.762 194 E HN 0.346 nan 8.360 nan 0.000 0.460 195 I N 1.414 121.983 120.570 -0.001 0.000 2.163 195 I HA -0.233 3.932 4.170 -0.009 0.000 0.243 195 I C 2.403 178.519 176.117 -0.001 0.000 1.085 195 I CA 1.189 62.486 61.300 -0.005 0.000 1.347 195 I CB -1.431 36.570 38.000 0.001 0.000 1.044 195 I HN -0.038 nan 8.210 nan 0.000 0.408 196 A N 1.130 123.954 122.820 0.006 0.000 1.892 196 A HA -0.221 4.094 4.320 -0.009 0.000 0.218 196 A C 2.591 180.177 177.584 0.003 0.000 1.188 196 A CA 2.549 54.590 52.037 0.007 0.000 0.631 196 A CB -0.920 18.086 19.000 0.011 0.000 0.822 196 A HN 0.454 nan 8.150 nan 0.000 0.447 197 A N -0.410 122.410 122.820 0.000 0.000 1.902 197 A HA 0.157 4.472 4.320 -0.009 0.000 0.217 197 A C 2.517 180.098 177.584 -0.005 0.000 1.181 197 A CA 2.193 54.229 52.037 -0.002 0.000 0.623 197 A CB -1.022 17.975 19.000 -0.004 0.000 0.818 197 A HN 1.131 nan 8.150 nan 0.000 0.443 198 A N -0.373 122.442 122.820 -0.009 0.000 1.902 198 A HA 0.007 4.321 4.320 -0.009 0.000 0.217 198 A C 1.984 179.561 177.584 -0.011 0.000 1.181 198 A CA 1.446 53.475 52.037 -0.013 0.000 0.623 198 A CB -0.516 18.471 19.000 -0.021 0.000 0.818 198 A HN 0.466 nan 8.150 nan 0.000 0.443 199 L N -0.557 120.662 121.223 -0.007 0.000 2.599 199 L HA 0.048 4.382 4.340 -0.009 0.000 0.230 199 L C 0.877 177.749 176.870 0.004 0.000 1.141 199 L CA 0.350 55.188 54.840 -0.003 0.000 0.877 199 L CB -0.626 41.433 42.059 0.000 0.000 1.009 199 L HN 0.656 nan 8.230 nan 0.000 0.447 200 N N 1.032 119.734 118.700 0.004 0.000 2.725 200 N HA -0.183 4.551 4.740 -0.009 0.000 0.251 200 N C 0.243 175.761 175.510 0.014 0.000 1.031 200 N CA 0.101 53.156 53.050 0.009 0.000 0.720 200 N CB -0.120 38.373 38.487 0.009 0.000 0.930 200 N HN 0.379 nan 8.380 nan 0.000 0.543 201 A N 0.561 123.389 122.820 0.012 0.000 2.466 201 A HA 0.094 4.409 4.320 -0.009 0.000 0.238 201 A C 1.197 178.791 177.584 0.017 0.000 1.074 201 A CA 0.472 52.517 52.037 0.013 0.000 0.774 201 A CB 0.545 19.550 19.000 0.009 0.000 1.015 201 A HN 0.634 nan 8.150 nan 0.000 0.498 202 E N 0.709 120.919 120.200 0.016 0.000 2.072 202 E HA -0.043 4.302 4.350 -0.009 0.000 0.190 202 E C 0.041 176.641 176.600 -0.000 0.000 0.982 202 E CA 1.608 58.022 56.400 0.024 0.000 0.803 202 E CB 0.025 29.746 29.700 0.034 0.000 0.755 202 E HN 0.598 nan 8.360 nan 0.000 0.453 203 K N -0.236 120.148 120.400 -0.026 0.000 2.464 203 K HA 0.368 4.683 4.320 -0.009 0.000 0.253 203 K C -1.611 175.000 176.600 0.018 0.000 0.933 203 K CA -1.077 55.211 56.287 0.002 0.000 0.801 203 K CB 2.229 34.696 32.500 -0.054 0.000 1.271 203 K HN 0.011 nan 8.250 nan 0.000 0.430 204 L N 3.740 124.992 121.223 0.047 0.000 2.296 204 L HA 0.564 4.899 4.340 -0.009 0.000 0.286 204 L C -1.345 175.577 176.870 0.087 0.000 1.023 204 L CA -0.213 54.654 54.840 0.046 0.000 0.812 204 L CB 0.881 42.957 42.059 0.029 0.000 1.223 204 L HN 0.571 nan 8.230 nan 0.000 0.421 205 I N 6.339 126.949 120.570 0.068 0.000 2.418 205 I HA 0.330 4.495 4.170 -0.009 0.000 0.287 205 I C -0.910 175.247 176.117 0.068 0.000 1.008 205 I CA -0.527 60.820 61.300 0.078 0.000 1.104 205 I CB 1.676 39.686 38.000 0.016 0.000 1.264 205 I HN 0.478 nan 8.210 nan 0.000 0.438 206 L N 7.071 128.336 121.223 0.070 0.000 2.255 206 L HA 0.465 4.800 4.340 -0.009 0.000 0.289 206 L C -0.361 176.542 176.870 0.055 0.000 1.046 206 L CA -0.606 54.270 54.840 0.059 0.000 0.816 206 L CB 0.854 42.941 42.059 0.046 0.000 1.197 206 L HN 0.427 nan 8.230 nan 0.000 0.427 207 L N 3.647 124.906 121.223 0.061 0.000 2.369 207 L HA 0.316 4.650 4.340 -0.009 0.000 0.279 207 L C 0.475 177.361 176.870 0.025 0.000 1.108 207 L CA 0.416 55.287 54.840 0.052 0.000 0.852 207 L CB 0.960 43.071 42.059 0.086 0.000 1.169 207 L HN 0.604 nan 8.230 nan 0.000 0.452 208 T N 0.494 115.059 114.554 0.018 0.000 2.907 208 T HA 0.258 4.602 4.350 -0.009 0.000 0.290 208 T C -0.257 174.441 174.700 -0.002 0.000 1.066 208 T CA -0.567 61.537 62.100 0.005 0.000 1.012 208 T CB 1.500 70.375 68.868 0.012 0.000 1.184 208 T HN 0.449 nan 8.240 nan 0.000 0.522 209 D N 1.851 122.245 120.400 -0.011 0.000 2.561 209 D HA 0.224 4.859 4.640 -0.009 0.000 0.232 209 D C 0.401 176.696 176.300 -0.009 0.000 1.198 209 D CA 0.125 54.117 54.000 -0.013 0.000 0.826 209 D CB 0.071 40.857 40.800 -0.023 0.000 0.992 209 D HN 0.595 nan 8.370 nan 0.000 0.490 210 T N -4.016 110.536 114.554 -0.003 0.000 2.883 210 T HA 0.376 4.721 4.350 -0.009 0.000 0.296 210 T C 0.909 175.613 174.700 0.006 0.000 1.117 210 T CA -0.825 61.275 62.100 -0.000 0.000 1.006 210 T CB 2.192 71.060 68.868 -0.001 0.000 1.191 210 T HN -0.199 nan 8.240 nan 0.000 0.508 211 R N 0.180 120.684 120.500 0.007 0.000 2.316 211 R HA 0.352 4.686 4.340 -0.009 0.000 0.202 211 R C 1.385 177.695 176.300 0.016 0.000 1.029 211 R CA 0.977 57.083 56.100 0.011 0.000 1.018 211 R CB -0.573 29.733 30.300 0.009 0.000 0.888 211 R HN 1.039 nan 8.270 nan 0.000 0.471 212 G N 0.480 109.290 108.800 0.016 0.000 2.295 212 G HA2 -0.144 3.810 3.960 -0.009 0.000 0.195 212 G HA3 -0.144 3.810 3.960 -0.009 0.000 0.195 212 G C -0.974 173.934 174.900 0.012 0.000 1.269 212 G CA -0.910 44.202 45.100 0.020 0.000 1.170 212 G HN 0.057 nan 8.290 nan 0.000 0.511 213 I N 1.651 122.229 120.570 0.012 0.000 2.321 213 I HA 0.460 4.625 4.170 -0.009 0.000 0.291 213 I C 0.248 176.370 176.117 0.007 0.000 0.998 213 I CA -0.523 60.781 61.300 0.007 0.000 1.227 213 I CB 1.281 39.284 38.000 0.004 0.000 1.368 213 I HN 0.336 nan 8.210 nan 0.000 0.466 214 L N 5.997 127.223 121.223 0.005 0.000 2.312 214 L HA 0.318 4.653 4.340 -0.009 0.000 0.281 214 L C 1.341 178.214 176.870 0.003 0.000 1.070 214 L CA -0.221 54.622 54.840 0.005 0.000 0.805 214 L CB 1.506 43.567 42.059 0.004 0.000 1.174 214 L HN 0.658 nan 8.230 nan 0.000 0.434 215 E N 0.991 121.193 120.200 0.004 0.000 2.107 215 E HA -0.157 4.188 4.350 -0.009 0.000 0.191 215 E C -0.028 176.574 176.600 0.002 0.000 0.982 215 E CA 0.841 57.242 56.400 0.003 0.000 0.809 215 E CB 0.448 30.150 29.700 0.004 0.000 0.756 215 E HN 0.595 nan 8.360 nan 0.000 0.459 216 D N -0.518 119.884 120.400 0.002 0.000 2.440 216 D HA 0.114 4.749 4.640 -0.009 0.000 0.252 216 D C -1.989 174.312 176.300 0.001 0.000 1.180 216 D CA -2.499 51.502 54.000 0.002 0.000 0.894 216 D CB 1.527 42.328 40.800 0.002 0.000 1.111 216 D HN -0.126 nan 8.370 nan 0.000 0.544 217 P HA -0.174 nan 4.420 nan 0.000 0.218 217 P C 0.852 178.152 177.300 -0.001 0.000 1.146 217 P CA 0.928 64.027 63.100 -0.001 0.000 0.813 217 P CB 0.515 32.213 31.700 -0.002 0.000 0.778 218 K N -1.191 119.209 120.400 -0.001 0.000 2.418 218 K HA 0.034 4.349 4.320 -0.009 0.000 0.195 218 K C 1.198 177.798 176.600 0.000 0.000 1.035 218 K CA 0.276 56.562 56.287 -0.001 0.000 1.003 218 K CB 0.088 32.587 32.500 -0.001 0.000 0.793 218 K HN -0.020 nan 8.250 nan 0.000 0.494 219 R N -0.037 120.464 120.500 0.001 0.000 2.388 219 R HA 0.171 4.506 4.340 -0.009 0.000 0.314 219 R C -2.306 173.996 176.300 0.003 0.000 0.959 219 R CA -2.082 54.019 56.100 0.002 0.000 0.851 219 R CB 1.032 31.334 30.300 0.003 0.000 1.168 219 R HN -0.116 nan 8.270 nan 0.000 0.472 220 P HA -0.180 nan 4.420 nan 0.000 0.216 220 P C 0.271 177.574 177.300 0.006 0.000 1.153 220 P CA 1.194 64.296 63.100 0.004 0.000 0.858 220 P CB 0.338 32.041 31.700 0.004 0.000 0.789 221 E N -0.592 119.612 120.200 0.006 0.000 2.455 221 E HA -0.109 4.236 4.350 -0.009 0.000 0.202 221 E C 1.434 178.040 176.600 0.009 0.000 1.045 221 E CA 0.999 57.404 56.400 0.008 0.000 0.872 221 E CB -0.608 29.097 29.700 0.007 0.000 0.792 221 E HN 0.288 nan 8.360 nan 0.000 0.542 222 S N -0.079 115.626 115.700 0.008 0.000 2.701 222 S HA 0.024 4.488 4.470 -0.009 0.000 0.220 222 S C 0.647 175.252 174.600 0.009 0.000 0.954 222 S CA -0.510 57.694 58.200 0.008 0.000 0.936 222 S CB -0.262 62.941 63.200 0.006 0.000 0.777 222 S HN 0.183 nan 8.310 nan 0.000 0.518 223 L N 2.685 123.915 121.223 0.011 0.000 2.660 223 L HA 0.277 4.611 4.340 -0.009 0.000 0.272 223 L C -0.302 176.577 176.870 0.015 0.000 1.194 223 L CA 0.140 54.987 54.840 0.013 0.000 0.945 223 L CB -0.405 41.664 42.059 0.016 0.000 1.212 223 L HN 0.303 nan 8.230 nan 0.000 0.490 224 I N 8.969 129.547 120.570 0.014 0.000 2.363 224 I HA 0.132 4.296 4.170 -0.009 0.000 0.292 224 I C -1.308 174.821 176.117 0.020 0.000 1.075 224 I CA -1.365 59.944 61.300 0.014 0.000 1.333 224 I CB 0.600 38.605 38.000 0.009 0.000 1.415 224 I HN 0.611 nan 8.210 nan 0.000 0.502 225 P HA -0.064 nan 4.420 nan 0.000 0.216 225 P C 0.203 177.522 177.300 0.032 0.000 1.153 225 P CA 0.949 64.070 63.100 0.036 0.000 0.844 225 P CB 0.262 31.986 31.700 0.040 0.000 0.787 226 R N -0.417 120.095 120.500 0.020 0.000 2.628 226 R HA 0.619 4.954 4.340 -0.009 0.000 0.288 226 R C -1.572 174.727 176.300 -0.002 0.000 0.980 226 R CA -0.629 55.475 56.100 0.007 0.000 0.891 226 R CB 0.985 31.295 30.300 0.016 0.000 1.188 226 R HN -0.032 nan 8.270 nan 0.000 0.450 227 L N 2.935 124.149 121.223 -0.015 0.000 2.376 227 L HA 0.518 4.853 4.340 -0.009 0.000 0.258 227 L C -0.615 176.242 176.870 -0.022 0.000 1.013 227 L CA -1.135 53.696 54.840 -0.015 0.000 0.822 227 L CB 2.331 44.380 42.059 -0.016 0.000 1.388 227 L HN 0.796 nan 8.230 nan 0.000 0.413 228 N N 0.580 119.271 118.700 -0.016 0.000 2.725 228 N HA 0.463 5.198 4.740 -0.009 0.000 0.312 228 N C 0.569 176.069 175.510 -0.016 0.000 1.295 228 N CA -0.698 52.341 53.050 -0.017 0.000 0.914 228 N CB 0.626 39.106 38.487 -0.011 0.000 1.177 228 N HN 0.518 nan 8.380 nan 0.000 0.601 229 I N -0.333 120.228 120.570 -0.015 0.000 2.090 229 I HA -0.109 4.056 4.170 -0.009 0.000 0.236 229 I C -0.715 175.396 176.117 -0.009 0.000 1.064 229 I CA 1.201 62.493 61.300 -0.013 0.000 1.324 229 I CB -1.231 36.762 38.000 -0.012 0.000 1.044 229 I HN 0.494 nan 8.210 nan 0.000 0.399 230 P HA -0.207 nan 4.420 nan 0.000 0.216 230 P C 1.455 178.752 177.300 -0.005 0.000 1.150 230 P CA 1.651 64.748 63.100 -0.006 0.000 0.843 230 P CB -0.114 31.583 31.700 -0.005 0.000 0.787 231 Q N -0.261 119.535 119.800 -0.006 0.000 2.050 231 Q HA -0.099 4.236 4.340 -0.009 0.000 0.202 231 Q C 2.500 178.496 176.000 -0.006 0.000 0.980 231 Q CA 1.850 57.650 55.803 -0.005 0.000 0.840 231 Q CB -0.495 28.240 28.738 -0.005 0.000 0.898 231 Q HN 0.235 nan 8.270 nan 0.000 0.424 232 S N 0.491 116.186 115.700 -0.008 0.000 2.359 232 S HA -0.153 4.311 4.470 -0.009 0.000 0.224 232 S C 1.778 176.374 174.600 -0.006 0.000 1.035 232 S CA 0.957 59.152 58.200 -0.008 0.000 1.018 232 S CB -0.185 63.009 63.200 -0.011 0.000 0.876 232 S HN 0.283 nan 8.310 nan 0.000 0.448 233 R N 1.226 121.722 120.500 -0.006 0.000 2.091 233 R HA -0.035 4.299 4.340 -0.009 0.000 0.238 233 R C 2.136 178.434 176.300 -0.004 0.000 1.136 233 R CA 1.037 57.134 56.100 -0.005 0.000 0.959 233 R CB -0.638 29.659 30.300 -0.005 0.000 0.856 233 R HN 0.498 nan 8.270 nan 0.000 0.437 234 E N 0.709 120.907 120.200 -0.003 0.000 2.153 234 E HA -0.115 4.230 4.350 -0.009 0.000 0.194 234 E C 2.174 178.772 176.600 -0.002 0.000 0.988 234 E CA 0.734 57.132 56.400 -0.003 0.000 0.811 234 E CB -0.049 29.649 29.700 -0.002 0.000 0.746 234 E HN 0.341 nan 8.360 nan 0.000 0.466 235 L N 0.298 121.520 121.223 -0.003 0.000 2.072 235 L HA -0.115 4.220 4.340 -0.009 0.000 0.205 235 L C 2.507 179.376 176.870 -0.003 0.000 1.079 235 L CA 0.656 55.494 54.840 -0.002 0.000 0.752 235 L CB -0.344 41.713 42.059 -0.003 0.000 0.906 235 L HN 0.093 nan 8.230 nan 0.000 0.436 236 I N 0.299 120.867 120.570 -0.003 0.000 2.142 236 I HA -0.294 3.871 4.170 -0.009 0.000 0.240 236 I C 2.759 178.874 176.117 -0.002 0.000 1.078 236 I CA 1.355 62.653 61.300 -0.003 0.000 1.343 236 I CB -0.448 37.550 38.000 -0.003 0.000 1.046 236 I HN 0.192 nan 8.210 nan 0.000 0.405 237 A N -0.306 122.512 122.820 -0.002 0.000 2.070 237 A HA -0.207 4.107 4.320 -0.009 0.000 0.220 237 A C 2.122 179.705 177.584 -0.002 0.000 1.159 237 A CA 1.381 53.417 52.037 -0.002 0.000 0.656 237 A CB -0.433 18.566 19.000 -0.002 0.000 0.800 237 A HN 0.533 nan 8.150 nan 0.000 0.453 238 Q N -2.028 117.771 119.800 -0.002 0.000 2.319 238 Q HA 0.274 4.609 4.340 -0.009 0.000 0.202 238 Q C 1.176 177.175 176.000 -0.002 0.000 0.896 238 Q CA 0.331 56.133 55.803 -0.001 0.000 0.942 238 Q CB 0.310 29.048 28.738 -0.001 0.000 1.083 238 Q HN 0.818 nan 8.270 nan 0.000 0.510 239 G N 1.006 109.805 108.800 -0.002 0.000 2.184 239 G HA2 -0.324 3.631 3.960 -0.009 0.000 0.264 239 G HA3 -0.324 3.631 3.960 -0.009 0.000 0.264 239 G C 0.779 175.677 174.900 -0.003 0.000 0.975 239 G CA 0.533 45.632 45.100 -0.003 0.000 0.642 239 G HN 0.404 nan 8.290 nan 0.000 0.536 240 I N 0.016 120.585 120.570 -0.002 0.000 2.286 240 I HA -0.049 4.116 4.170 -0.009 0.000 0.248 240 I C 1.296 177.411 176.117 -0.003 0.000 1.115 240 I CA 1.062 62.361 61.300 -0.002 0.000 1.392 240 I CB -0.091 37.909 38.000 -0.001 0.000 1.065 240 I HN 0.107 nan 8.210 nan 0.000 0.418 241 V N 1.339 121.251 119.914 -0.003 0.000 2.383 241 V HA 0.589 4.704 4.120 -0.009 0.000 0.275 241 V C 0.446 176.537 176.094 -0.005 0.000 1.036 241 V CA -0.171 62.127 62.300 -0.004 0.000 0.889 241 V CB 0.749 32.570 31.823 -0.003 0.000 0.985 241 V HN 0.331 nan 8.190 nan 0.000 0.459 242 G N 2.368 111.164 108.800 -0.007 0.000 2.866 242 G HA2 0.699 4.653 3.960 -0.009 0.000 0.289 242 G HA3 0.699 4.653 3.960 -0.009 0.000 0.289 242 G C 0.282 175.175 174.900 -0.012 0.000 1.396 242 G CA 0.193 45.288 45.100 -0.008 0.000 0.848 242 G HN 1.224 nan 8.290 nan 0.000 0.515 243 G N -0.325 108.466 108.800 -0.014 0.000 2.672 243 G HA2 0.057 4.012 3.960 -0.009 0.000 0.324 243 G HA3 0.057 4.012 3.960 -0.009 0.000 0.324 243 G C 1.436 176.323 174.900 -0.021 0.000 1.286 243 G CA 1.162 46.250 45.100 -0.020 0.000 1.004 243 G HN 1.992 nan 8.290 nan 0.000 0.548 244 G N -1.013 107.771 108.800 -0.025 0.000 2.920 244 G HA2 0.290 4.245 3.960 -0.009 0.000 0.208 244 G HA3 0.290 4.245 3.960 -0.009 0.000 0.208 244 G C 1.478 176.369 174.900 -0.016 0.000 1.159 244 G CA 1.552 46.637 45.100 -0.025 0.000 0.784 244 G HN 0.591 nan 8.290 nan 0.000 0.535 245 M N 0.391 119.984 119.600 -0.012 0.000 2.334 245 M HA 0.292 4.767 4.480 -0.009 0.000 0.266 245 M C 2.172 178.470 176.300 -0.004 0.000 1.082 245 M CA 0.784 56.080 55.300 -0.007 0.000 1.141 245 M CB -0.295 32.301 32.600 -0.006 0.000 1.380 245 M HN 0.195 nan 8.290 nan 0.000 0.440 246 I N 1.328 121.895 120.570 -0.005 0.000 2.091 246 I HA -0.280 3.885 4.170 -0.009 0.000 0.239 246 I C -0.555 175.563 176.117 0.002 0.000 1.061 246 I CA 1.727 63.026 61.300 -0.002 0.000 1.317 246 I CB -2.194 35.804 38.000 -0.004 0.000 1.031 246 I HN 0.218 nan 8.210 nan 0.000 0.401 247 P HA -0.174 nan 4.420 nan 0.000 0.219 247 P C 1.324 178.632 177.300 0.013 0.000 1.146 247 P CA 1.648 64.757 63.100 0.013 0.000 0.808 247 P CB -0.082 31.628 31.700 0.017 0.000 0.779 248 K N -0.381 120.024 120.400 0.008 0.000 2.057 248 K HA -0.048 4.266 4.320 -0.009 0.000 0.206 248 K C 2.138 178.742 176.600 0.006 0.000 1.050 248 K CA 1.074 57.367 56.287 0.009 0.000 0.935 248 K CB -0.662 31.843 32.500 0.007 0.000 0.715 248 K HN -0.045 nan 8.250 nan 0.000 0.439 249 V N 1.958 121.874 119.914 0.003 0.000 2.307 249 V HA -0.253 3.861 4.120 -0.009 0.000 0.245 249 V C 1.605 177.698 176.094 -0.001 0.000 1.045 249 V CA 1.871 64.170 62.300 -0.002 0.000 1.024 249 V CB -0.442 31.378 31.823 -0.004 0.000 0.651 249 V HN 0.293 nan 8.190 nan 0.000 0.449 250 D N -0.406 119.995 120.400 0.003 0.000 2.116 250 D HA -0.219 4.416 4.640 -0.009 0.000 0.193 250 D C 2.216 178.519 176.300 0.005 0.000 0.998 250 D CA 1.880 55.882 54.000 0.004 0.000 0.836 250 D CB -0.631 40.174 40.800 0.009 0.000 0.951 250 D HN 0.573 nan 8.370 nan 0.000 0.449 251 C N 0.291 119.597 119.300 0.009 0.000 2.425 251 C HA -0.145 4.310 4.460 -0.009 0.000 0.277 251 C C 3.053 178.046 174.990 0.005 0.000 1.280 251 C CA 0.676 59.701 59.018 0.011 0.000 1.744 251 C CB -1.181 26.570 27.740 0.019 0.000 1.989 251 C HN 0.408 nan 8.230 nan 0.000 0.491 252 C N 0.728 120.028 119.300 0.001 0.000 2.432 252 C HA -0.035 4.420 4.460 -0.009 0.000 0.277 252 C C 2.529 177.511 174.990 -0.012 0.000 1.249 252 C CA 1.410 60.423 59.018 -0.008 0.000 1.725 252 C CB -1.408 26.323 27.740 -0.016 0.000 2.028 252 C HN 0.651 nan 8.230 nan 0.000 0.477 253 I N 0.215 120.778 120.570 -0.011 0.000 2.163 253 I HA -0.223 3.942 4.170 -0.009 0.000 0.243 253 I C 2.936 179.047 176.117 -0.009 0.000 1.085 253 I CA 1.436 62.730 61.300 -0.012 0.000 1.347 253 I CB -0.585 37.409 38.000 -0.009 0.000 1.044 253 I HN 0.306 nan 8.210 nan 0.000 0.408 254 R N 0.102 120.599 120.500 -0.006 0.000 2.105 254 R HA -0.176 4.159 4.340 -0.009 0.000 0.239 254 R C 2.474 178.770 176.300 -0.006 0.000 1.135 254 R CA 1.753 57.849 56.100 -0.006 0.000 0.967 254 R CB -0.205 30.093 30.300 -0.004 0.000 0.861 254 R HN 0.247 nan 8.270 nan 0.000 0.442 255 S N 0.264 115.961 115.700 -0.005 0.000 2.377 255 S HA 0.020 4.485 4.470 -0.009 0.000 0.223 255 S C 1.986 176.582 174.600 -0.007 0.000 1.030 255 S CA 0.510 58.707 58.200 -0.004 0.000 0.970 255 S CB -0.001 63.198 63.200 -0.001 0.000 0.830 255 S HN 0.245 nan 8.310 nan 0.000 0.473 256 L N 1.236 122.453 121.223 -0.011 0.000 2.046 256 L HA -0.077 4.257 4.340 -0.009 0.000 0.208 256 L C 2.816 179.681 176.870 -0.009 0.000 1.077 256 L CA 1.263 56.095 54.840 -0.013 0.000 0.747 256 L CB -0.626 41.421 42.059 -0.020 0.000 0.896 256 L HN 0.361 nan 8.230 nan 0.000 0.432 257 A N -0.649 122.166 122.820 -0.009 0.000 2.019 257 A HA -0.224 4.091 4.320 -0.009 0.000 0.219 257 A C 2.088 179.669 177.584 -0.006 0.000 1.164 257 A CA 1.378 53.410 52.037 -0.008 0.000 0.644 257 A CB -0.367 18.628 19.000 -0.008 0.000 0.805 257 A HN 0.531 nan 8.150 nan 0.000 0.449 258 Q N -1.867 117.929 119.800 -0.006 0.000 2.403 258 Q HA 0.285 4.619 4.340 -0.009 0.000 0.203 258 Q C 1.026 177.024 176.000 -0.003 0.000 0.932 258 Q CA 0.374 56.174 55.803 -0.005 0.000 0.945 258 Q CB 0.258 28.992 28.738 -0.006 0.000 1.045 258 Q HN 0.844 nan 8.270 nan 0.000 0.511 259 G N 0.019 108.818 108.800 -0.002 0.000 2.184 259 G HA2 -0.207 3.747 3.960 -0.009 0.000 0.206 259 G HA3 -0.207 3.747 3.960 -0.009 0.000 0.206 259 G C 0.120 175.023 174.900 0.005 0.000 0.995 259 G CA -0.303 44.798 45.100 0.002 0.000 0.651 259 G HN 0.173 nan 8.290 nan 0.000 0.511 260 V N 1.068 120.984 119.914 0.002 0.000 2.585 260 V HA 0.227 4.341 4.120 -0.009 0.000 0.296 260 V C 1.933 178.030 176.094 0.004 0.000 1.035 260 V CA 0.925 63.227 62.300 0.004 0.000 1.084 260 V CB 1.189 33.012 31.823 0.001 0.000 0.953 260 V HN 0.419 nan 8.190 nan 0.000 0.483 261 R N 2.742 123.250 120.500 0.014 0.000 2.075 261 R HA 0.183 4.517 4.340 -0.009 0.000 0.232 261 R C 0.570 176.872 176.300 0.005 0.000 1.126 261 R CA 1.349 57.462 56.100 0.022 0.000 0.963 261 R CB 0.065 30.397 30.300 0.052 0.000 0.858 261 R HN 0.902 nan 8.270 nan 0.000 0.435 262 A N -1.240 121.574 122.820 -0.011 0.000 2.547 262 A HA 0.770 5.085 4.320 -0.009 0.000 0.297 262 A C -1.629 175.883 177.584 -0.120 0.000 1.056 262 A CA -0.483 51.503 52.037 -0.085 0.000 0.688 262 A CB 1.752 20.704 19.000 -0.080 0.000 1.282 262 A HN 0.193 nan 8.150 nan 0.000 0.400 263 A N 1.803 124.494 122.820 -0.214 0.000 2.342 263 A HA 0.809 5.124 4.320 -0.009 0.000 0.323 263 A C -0.856 176.541 177.584 -0.311 0.000 1.125 263 A CA -0.492 51.454 52.037 -0.152 0.000 0.785 263 A CB 0.814 19.771 19.000 -0.072 0.000 1.221 263 A HN 0.844 nan 8.150 nan 0.000 0.463 264 H N 1.926 120.987 119.070 -0.015 0.000 2.609 264 H HA 0.402 4.953 4.556 -0.008 0.000 0.344 264 H C -1.171 174.154 175.328 -0.005 0.000 1.040 264 H CA -0.278 55.763 56.048 -0.012 0.000 1.216 264 H CB 1.692 31.439 29.762 -0.025 0.000 1.529 264 H HN 0.520 nan 8.280 nan 0.000 0.519 265 I N 5.856 126.482 120.570 0.093 0.000 2.330 265 I HA 0.242 4.406 4.170 -0.009 0.000 0.286 265 I C 0.481 176.638 176.117 0.066 0.000 1.025 265 I CA -0.297 61.041 61.300 0.062 0.000 1.197 265 I CB 0.477 38.496 38.000 0.031 0.000 1.358 265 I HN 0.400 nan 8.210 nan 0.000 0.467 266 I N 1.798 122.404 120.570 0.059 0.000 3.108 266 I HA 0.586 4.751 4.170 -0.009 0.000 0.312 266 I C -0.722 175.413 176.117 0.030 0.000 1.095 266 I CA -0.804 60.523 61.300 0.045 0.000 1.000 266 I CB 2.253 40.274 38.000 0.035 0.000 1.229 266 I HN 0.215 nan 8.210 nan 0.000 0.454 267 D N 2.585 122.999 120.400 0.023 0.000 2.468 267 D HA 0.270 4.905 4.640 -0.009 0.000 0.218 267 D C 1.081 177.391 176.300 0.017 0.000 1.155 267 D CA -0.055 53.956 54.000 0.017 0.000 0.924 267 D CB 1.269 42.078 40.800 0.014 0.000 1.029 267 D HN 0.822 nan 8.370 nan 0.000 0.515 268 G N 3.106 111.917 108.800 0.018 0.000 2.625 268 G HA2 -0.195 3.760 3.960 -0.009 0.000 0.214 268 G HA3 -0.195 3.760 3.960 -0.009 0.000 0.214 268 G C 1.398 176.306 174.900 0.013 0.000 1.132 268 G CA 0.012 45.125 45.100 0.023 0.000 0.782 268 G HN 0.431 nan 8.290 nan 0.000 0.538 269 R N -0.312 120.192 120.500 0.006 0.000 2.307 269 R HA 0.162 4.496 4.340 -0.009 0.000 0.199 269 R C 0.832 177.133 176.300 0.002 0.000 1.000 269 R CA 0.100 56.201 56.100 0.001 0.000 1.023 269 R CB -0.135 30.164 30.300 -0.002 0.000 0.908 269 R HN 0.576 nan 8.270 nan 0.000 0.473 270 I N -0.618 119.956 120.570 0.007 0.000 2.404 270 I HA 0.437 4.602 4.170 -0.009 0.000 0.293 270 I C -2.724 173.396 176.117 0.005 0.000 0.992 270 I CA -3.111 58.195 61.300 0.009 0.000 1.149 270 I CB 1.856 39.865 38.000 0.015 0.000 1.315 270 I HN -0.290 nan 8.210 nan 0.000 0.446 271 P HA 0.038 nan 4.420 nan 0.000 0.262 271 P C -0.684 176.635 177.300 0.031 0.000 1.182 271 P CA 0.650 63.724 63.100 -0.043 0.000 0.761 271 P CB 0.034 31.735 31.700 0.002 0.000 0.795 272 H N 0.808 119.873 119.070 -0.008 0.000 2.936 272 H HA -0.213 4.339 4.556 -0.007 0.000 0.276 272 H C 1.457 176.772 175.328 -0.021 0.000 1.216 272 H CA 0.664 56.698 56.048 -0.024 0.000 1.132 272 H CB -1.727 28.007 29.762 -0.048 0.000 1.303 272 H HN 0.576 nan 8.280 nan 0.000 0.370 273 A N 0.788 123.642 122.820 0.058 0.000 1.940 273 A HA -0.227 4.087 4.320 -0.009 0.000 0.221 273 A C 2.609 180.202 177.584 0.016 0.000 1.190 273 A CA 1.982 54.038 52.037 0.032 0.000 0.647 273 A CB -0.539 18.475 19.000 0.023 0.000 0.821 273 A HN 0.433 nan 8.150 nan 0.000 0.457 274 L N -0.990 120.249 121.223 0.027 0.000 1.994 274 L HA -0.184 4.150 4.340 -0.009 0.000 0.208 274 L C 2.658 179.529 176.870 0.001 0.000 1.071 274 L CA 1.359 56.200 54.840 0.002 0.000 0.745 274 L CB -0.546 41.530 42.059 0.029 0.000 0.892 274 L HN 0.403 nan 8.230 nan 0.000 0.431 275 L N -0.945 120.319 121.223 0.068 0.000 2.046 275 L HA -0.245 4.089 4.340 -0.009 0.000 0.208 275 L C 2.601 179.509 176.870 0.064 0.000 1.077 275 L CA 0.646 55.560 54.840 0.123 0.000 0.747 275 L CB -0.490 41.575 42.059 0.009 0.000 0.896 275 L HN 0.271 nan 8.230 nan 0.000 0.432 276 L N 0.214 121.445 121.223 0.013 0.000 2.043 276 L HA -0.244 4.091 4.340 -0.009 0.000 0.212 276 L C 2.597 179.436 176.870 -0.051 0.000 1.075 276 L CA 1.818 56.648 54.840 -0.018 0.000 0.752 276 L CB -1.035 41.024 42.059 -0.000 0.000 0.891 276 L HN 0.302 nan 8.230 nan 0.000 0.432 277 E N -0.195 119.956 120.200 -0.082 0.000 2.016 277 E HA -0.153 4.191 4.350 -0.009 0.000 0.190 277 E C 2.164 178.643 176.600 -0.203 0.000 0.985 277 E CA 1.184 57.496 56.400 -0.148 0.000 0.802 277 E CB -0.162 29.405 29.700 -0.222 0.000 0.762 277 E HN 0.287 nan 8.360 nan 0.000 0.448 278 I N -0.056 120.335 120.570 -0.299 0.000 2.179 278 I HA -0.210 3.955 4.170 -0.009 0.000 0.242 278 I C 1.638 177.490 176.117 -0.442 0.000 1.088 278 I CA 1.490 62.499 61.300 -0.486 0.000 1.357 278 I CB -0.982 36.496 38.000 -0.870 0.000 1.051 278 I HN 0.111 nan 8.210 nan 0.000 0.409 279 F N 0.155 120.038 119.950 -0.112 0.000 2.653 279 F HA 0.185 4.711 4.527 -0.000 0.000 0.304 279 F C 0.777 176.098 175.800 -0.798 0.000 1.092 279 F CA -0.051 57.690 58.000 -0.431 0.000 1.279 279 F CB 0.162 38.994 39.000 -0.279 0.000 1.044 279 F HN -0.121 nan 8.300 nan 0.000 0.564 280 T N -1.326 113.050 114.554 -0.296 0.000 2.887 280 T HA 0.232 4.577 4.350 -0.009 0.000 0.292 280 T C -0.223 174.454 174.700 -0.039 0.000 1.087 280 T CA -0.626 61.352 62.100 -0.203 0.000 1.009 280 T CB 1.998 70.808 68.868 -0.097 0.000 1.203 280 T HN -0.182 nan 8.240 nan 0.000 0.518 281 D N 0.805 121.221 120.400 0.027 0.000 2.463 281 D HA 0.364 4.998 4.640 -0.009 0.000 0.224 281 D C 0.550 176.877 176.300 0.045 0.000 1.174 281 D CA -0.170 53.877 54.000 0.077 0.000 0.829 281 D CB 0.107 40.974 40.800 0.113 0.000 0.993 281 D HN 0.618 nan 8.370 nan 0.000 0.497 282 A N 0.312 123.144 122.820 0.019 0.000 2.407 282 A HA 0.500 4.814 4.320 -0.009 0.000 0.248 282 A C 1.218 178.816 177.584 0.023 0.000 1.082 282 A CA -0.086 51.961 52.037 0.016 0.000 0.785 282 A CB 0.427 19.428 19.000 0.002 0.000 1.020 282 A HN 0.165 nan 8.150 nan 0.000 0.489 283 G N 1.758 110.573 108.800 0.024 0.000 3.343 283 G HA2 0.389 4.343 3.960 -0.009 0.000 0.264 283 G HA3 0.389 4.343 3.960 -0.009 0.000 0.264 283 G C 0.602 175.517 174.900 0.025 0.000 0.884 283 G CA 0.120 45.237 45.100 0.029 0.000 1.916 283 G HN 0.846 nan 8.290 nan 0.000 0.618 284 I N -0.981 119.603 120.570 0.024 0.000 3.684 284 I HA 0.369 4.534 4.170 -0.009 0.000 0.304 284 I C 0.597 176.732 176.117 0.030 0.000 1.278 284 I CA 0.004 61.316 61.300 0.021 0.000 1.272 284 I CB -0.916 37.091 38.000 0.012 0.000 1.029 284 I HN 0.238 nan 8.210 nan 0.000 0.458 285 G N 0.326 109.153 108.800 0.045 0.000 2.427 285 G HA2 0.396 4.350 3.960 -0.009 0.000 0.306 285 G HA3 0.396 4.350 3.960 -0.009 0.000 0.306 285 G C -1.497 173.445 174.900 0.070 0.000 1.280 285 G CA -0.412 44.722 45.100 0.057 0.000 0.837 285 G HN 0.070 nan 8.290 nan 0.000 0.482 286 T N 1.249 115.842 114.554 0.066 0.000 2.779 286 T HA 0.559 4.903 4.350 -0.009 0.000 0.280 286 T C 0.045 174.764 174.700 0.031 0.000 0.987 286 T CA -0.214 61.913 62.100 0.044 0.000 0.966 286 T CB 1.323 70.202 68.868 0.018 0.000 0.933 286 T HN 0.583 nan 8.240 nan 0.000 0.442 287 M N 5.000 124.597 119.600 -0.006 0.000 2.157 287 M HA 0.536 5.010 4.480 -0.009 0.000 0.354 287 M C -1.403 174.806 176.300 -0.153 0.000 1.170 287 M CA -0.544 54.636 55.300 -0.200 0.000 1.060 287 M CB 0.295 32.787 32.600 -0.179 0.000 1.615 287 M HN 0.548 nan 8.290 nan 0.000 0.460 288 I N 6.429 126.884 120.570 -0.192 0.000 2.378 288 I HA 0.446 4.611 4.170 -0.009 0.000 0.291 288 I C -0.377 175.669 176.117 -0.118 0.000 0.992 288 I CA -1.026 60.206 61.300 -0.113 0.000 1.154 288 I CB 1.525 39.479 38.000 -0.076 0.000 1.315 288 I HN 0.533 nan 8.210 nan 0.000 0.448 289 V N 1.732 121.601 119.914 -0.074 0.000 2.919 289 V HA 0.713 4.827 4.120 -0.009 0.000 0.316 289 V C 0.809 176.884 176.094 -0.031 0.000 1.077 289 V CA -0.503 61.765 62.300 -0.053 0.000 0.977 289 V CB 1.557 33.359 31.823 -0.034 0.000 1.039 289 V HN 0.839 nan 8.190 nan 0.000 0.441 290 G N 1.204 109.991 108.800 -0.022 0.000 3.088 290 G HA2 0.333 4.288 3.960 -0.009 0.000 0.212 290 G HA3 0.333 4.288 3.960 -0.009 0.000 0.212 290 G C 0.456 175.351 174.900 -0.008 0.000 1.173 290 G CA 0.600 45.691 45.100 -0.014 0.000 0.779 290 G HN 1.392 nan 8.290 nan 0.000 0.540 291 S N -1.081 114.614 115.700 -0.007 0.000 2.776 291 S HA 0.770 5.235 4.470 -0.009 0.000 0.284 291 S C -0.326 174.273 174.600 -0.002 0.000 1.160 291 S CA -0.094 58.105 58.200 -0.003 0.000 1.051 291 S CB 1.939 65.139 63.200 0.002 0.000 1.037 291 S HN 0.983 nan 8.310 nan 0.000 0.485 292 G N 0.633 109.432 108.800 -0.002 0.000 2.340 292 G HA2 0.612 4.567 3.960 -0.009 0.000 0.299 292 G HA3 0.612 4.567 3.960 -0.009 0.000 0.299 292 G C -0.970 173.929 174.900 -0.001 0.000 1.291 292 G CA -0.083 45.017 45.100 -0.001 0.000 0.841 292 G HN 1.535 nan 8.290 nan 0.000 0.500 293 Y N 0.000 120.300 120.300 0.000 0.000 2.660 293 Y HA 0.000 4.545 4.550 -0.009 0.000 0.201 293 Y CA 0.000 58.101 58.100 0.002 0.000 1.940 293 Y CB 0.000 38.461 38.460 0.002 0.000 1.050 293 Y HN 0.000 nan 8.280 nan 0.000 0.758