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 2i5k_1_B DATA FIRST_RESID 20 DATA SEQUENCE NSVAASQMRN ALNKLXXXXX XXDAARAKFE NELDSFFTLF RRYLVEKSSR DATA SEQUENCE TTLEWDKIKS PNPDEVVKYE IISQQPENVS NLSKLAVLKL NGGLGTSMGC DATA SEQUENCE VGPKSVIEVR EGNTFLDLSV RQIEYLNRQY DSDVPLLLMN SFNTDKDTEH DATA SEQUENCE LIKKYSANRI RIRSFNQSRF PRVYKDSLLP VPTEYDSPLD AWYPPGHGDL DATA SEQUENCE FESLHVSGEL DALIAQGREI LFVSNGDNLG ATVDLKILNH MIETGAEYIM DATA SEQUENCE ELTDKTRADV KGGTLISYDG QVRLLEVAQV PKEHIDEFKN IRKFTNFNTN DATA SEQUENCE NLWINLKAVK RLIESSNLEM EIIPNQKTIX XXXXXXNVLQ LETACGAAIR DATA SEQUENCE HFDGAHGVVV PRSRFLPVKT CSDLLLVKSD LFRLEHGSLK LDPSRFGPNP DATA SEQUENCE LIKLGSHFKK VSGFNARIPH IPKIVELDHL TITGNVFLGK DVTLRGTVII DATA SEQUENCE VCSDGHKIDI PNGSILENVV VTGNLQILEH 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 N HA 0.000 nan 4.740 nan 0.000 0.220 20 N C 0.000 175.509 175.510 -0.002 0.000 1.280 20 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 20 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 21 S N -0.883 114.815 115.700 -0.003 0.000 2.634 21 S HA 0.851 5.321 4.470 -0.000 0.000 0.261 21 S C 2.111 176.712 174.600 0.001 0.000 1.271 21 S CA 0.555 58.753 58.200 -0.003 0.000 0.985 21 S CB -0.323 62.874 63.200 -0.005 0.000 0.968 21 S HN 2.246 nan 8.310 nan 0.000 0.568 22 V N 0.043 119.957 119.914 0.002 0.000 2.307 22 V HA 0.174 4.294 4.120 -0.000 0.000 0.245 22 V C 2.606 178.705 176.094 0.008 0.000 1.045 22 V CA 2.958 65.261 62.300 0.005 0.000 1.024 22 V CB -1.471 30.355 31.823 0.004 0.000 0.651 22 V HN 1.132 nan 8.190 nan 0.000 0.449 23 A N -0.555 122.271 122.820 0.009 0.000 2.119 23 A HA 0.378 4.698 4.320 -0.000 0.000 0.216 23 A C 2.397 179.990 177.584 0.015 0.000 1.152 23 A CA 1.775 53.822 52.037 0.016 0.000 0.708 23 A CB -0.432 18.579 19.000 0.020 0.000 0.805 23 A HN 1.132 nan 8.150 nan 0.000 0.460 24 A N -0.582 122.242 122.820 0.007 0.000 1.935 24 A HA 0.304 4.624 4.320 -0.000 0.000 0.214 24 A C 2.424 180.009 177.584 0.002 0.000 1.178 24 A CA 1.662 53.699 52.037 -0.001 0.000 0.640 24 A CB -0.878 18.117 19.000 -0.007 0.000 0.825 24 A HN 0.742 nan 8.150 nan 0.000 0.447 25 S N -1.121 114.582 115.700 0.005 0.000 2.481 25 S HA 0.135 4.605 4.470 -0.000 0.000 0.231 25 S C 2.061 176.668 174.600 0.013 0.000 0.996 25 S CA 1.629 59.833 58.200 0.007 0.000 0.942 25 S CB -0.509 62.695 63.200 0.006 0.000 0.768 25 S HN 0.789 nan 8.310 nan 0.000 0.520 26 Q N -0.847 118.963 119.800 0.017 0.000 2.245 26 Q HA 0.369 4.709 4.340 -0.000 0.000 0.201 26 Q C 2.448 178.468 176.000 0.032 0.000 0.955 26 Q CA 2.010 57.827 55.803 0.024 0.000 0.870 26 Q CB -1.365 27.389 28.738 0.026 0.000 0.945 26 Q HN 1.008 nan 8.270 nan 0.000 0.461 27 M N 0.199 119.817 119.600 0.030 0.000 2.394 27 M HA 0.370 4.850 4.480 -0.000 0.000 0.266 27 M C 2.491 178.813 176.300 0.036 0.000 1.098 27 M CA 1.901 57.226 55.300 0.042 0.000 1.149 27 M CB -1.429 31.185 32.600 0.025 0.000 1.369 27 M HN 0.802 nan 8.290 nan 0.000 0.450 28 R N 1.349 121.860 120.500 0.018 0.000 2.189 28 R HA 0.058 4.398 4.340 -0.000 0.000 0.218 28 R C 1.939 178.251 176.300 0.020 0.000 1.074 28 R CA 2.151 58.259 56.100 0.014 0.000 0.991 28 R CB -2.505 27.797 30.300 0.004 0.000 0.883 28 R HN 1.027 nan 8.270 nan 0.000 0.457 29 N N 0.578 119.291 118.700 0.023 0.000 2.331 29 N HA 0.211 4.951 4.740 -0.000 0.000 0.180 29 N C 2.293 177.821 175.510 0.030 0.000 1.019 29 N CA 1.328 54.392 53.050 0.023 0.000 0.881 29 N CB -0.297 38.203 38.487 0.022 0.000 0.972 29 N HN 0.733 nan 8.380 nan 0.000 0.435 30 A N 0.010 122.855 122.820 0.042 0.000 2.016 30 A HA 0.450 4.770 4.320 -0.000 0.000 0.217 30 A C 2.683 180.296 177.584 0.048 0.000 1.162 30 A CA 1.524 53.593 52.037 0.052 0.000 0.662 30 A CB -0.651 18.395 19.000 0.077 0.000 0.812 30 A HN 1.094 nan 8.150 nan 0.000 0.450 31 L N -0.750 120.498 121.223 0.042 0.000 2.291 31 L HA 0.033 4.373 4.340 -0.000 0.000 0.214 31 L C 2.297 179.179 176.870 0.019 0.000 1.120 31 L CA 2.326 57.183 54.840 0.028 0.000 0.799 31 L CB -2.678 39.394 42.059 0.022 0.000 0.925 31 L HN 0.792 nan 8.230 nan 0.000 0.446 32 N N 0.069 118.781 118.700 0.021 0.000 2.376 32 N HA -0.009 4.731 4.740 -0.000 0.000 0.177 32 N C 2.301 177.824 175.510 0.021 0.000 1.024 32 N CA 1.867 54.928 53.050 0.018 0.000 0.893 32 N CB -0.456 38.041 38.487 0.016 0.000 0.980 32 N HN 0.794 nan 8.380 nan 0.000 0.439 33 K N 0.149 120.565 120.400 0.027 0.000 2.103 33 K HA 0.600 4.920 4.320 -0.000 0.000 0.204 33 K C 1.723 178.344 176.600 0.035 0.000 1.052 33 K CA 1.077 57.382 56.287 0.030 0.000 0.945 33 K CB -1.596 30.924 32.500 0.034 0.000 0.722 33 K HN 0.923 nan 8.250 nan 0.000 0.443 43 A N 0.545 123.294 122.820 -0.118 0.000 2.855 43 A HA 0.782 5.101 4.320 -0.000 0.000 0.313 43 A C 0.206 177.733 177.584 -0.095 0.000 1.173 43 A CA 0.383 52.321 52.037 -0.164 0.000 0.753 43 A CB 0.453 19.334 19.000 -0.200 0.000 1.200 43 A HN 1.638 nan 8.150 nan 0.000 0.442 44 A N 1.748 124.521 122.820 -0.080 0.000 2.457 44 A HA 0.566 4.886 4.320 -0.000 0.000 0.298 44 A C 1.515 179.071 177.584 -0.046 0.000 1.288 44 A CA 0.890 52.896 52.037 -0.051 0.000 0.956 44 A CB -0.762 18.214 19.000 -0.040 0.000 1.135 44 A HN 2.529 nan 8.150 nan 0.000 0.535 45 R N 0.269 120.746 120.500 -0.039 0.000 4.016 45 R HA -0.164 4.176 4.340 -0.000 0.000 0.385 45 R C 0.798 177.077 176.300 -0.036 0.000 1.158 45 R CA 2.258 58.339 56.100 -0.031 0.000 1.117 45 R CB -2.633 27.653 30.300 -0.023 0.000 1.635 45 R HN 2.465 nan 8.270 nan 0.000 0.560 46 A N -0.021 122.769 122.820 -0.051 0.000 3.282 46 A HA 0.637 4.957 4.320 -0.000 0.000 0.287 46 A C 0.935 178.484 177.584 -0.058 0.000 1.366 46 A CA 0.813 52.817 52.037 -0.055 0.000 1.069 46 A CB -0.396 18.560 19.000 -0.074 0.000 1.109 46 A HN 1.800 nan 8.150 nan 0.000 0.638 47 K N 0.126 120.500 120.400 -0.043 0.000 2.237 47 K HA 0.437 4.757 4.320 -0.000 0.000 0.283 47 K C 0.419 176.996 176.600 -0.038 0.000 1.080 47 K CA 0.187 56.452 56.287 -0.037 0.000 0.965 47 K CB -1.577 30.907 32.500 -0.026 0.000 1.098 47 K HN 1.367 nan 8.250 nan 0.000 0.434 48 F N 1.736 121.656 119.950 -0.050 0.000 2.669 48 F HA 0.274 4.801 4.527 -0.000 0.000 0.303 48 F C 1.772 177.530 175.800 -0.069 0.000 1.341 48 F CA 0.909 58.868 58.000 -0.068 0.000 1.449 48 F CB -2.024 36.914 39.000 -0.104 0.000 1.146 48 F HN 0.890 nan 8.300 nan 0.000 0.530 49 E N -0.013 120.161 120.200 -0.044 0.000 2.106 49 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 49 E C 2.032 178.614 176.600 -0.030 0.000 0.984 49 E CA 1.580 57.959 56.400 -0.036 0.000 0.806 49 E CB -1.833 27.855 29.700 -0.021 0.000 0.750 49 E HN 0.960 nan 8.360 nan 0.000 0.458 50 N N 1.280 119.970 118.700 -0.018 0.000 2.060 50 N HA -0.305 4.434 4.740 -0.000 0.000 0.195 50 N C 2.104 177.621 175.510 0.012 0.000 1.028 50 N CA 1.900 54.953 53.050 0.004 0.000 0.861 50 N CB -0.647 37.848 38.487 0.013 0.000 1.029 50 N HN 0.748 nan 8.380 nan 0.000 0.428 51 E N -0.286 119.903 120.200 -0.018 0.000 2.031 51 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 51 E C 2.763 179.246 176.600 -0.196 0.000 0.994 51 E CA 1.634 58.013 56.400 -0.035 0.000 0.800 51 E CB -0.516 29.113 29.700 -0.119 0.000 0.752 51 E HN 0.648 nan 8.360 nan 0.000 0.447 52 L N 1.319 122.435 121.223 -0.177 0.000 2.046 52 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 52 L C 2.177 178.999 176.870 -0.080 0.000 1.077 52 L CA 2.505 57.250 54.840 -0.159 0.000 0.747 52 L CB -1.211 40.792 42.059 -0.092 0.000 0.896 52 L HN 0.042 nan 8.230 nan 0.000 0.432 53 D N -1.117 119.253 120.400 -0.050 0.000 2.097 53 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 53 D C 2.524 178.816 176.300 -0.013 0.000 0.989 53 D CA 1.718 55.705 54.000 -0.022 0.000 0.827 53 D CB 0.027 40.824 40.800 -0.004 0.000 0.966 53 D HN 0.508 nan 8.370 nan 0.000 0.456 54 S N -0.565 115.148 115.700 0.021 0.000 2.383 54 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 54 S C 1.748 176.399 174.600 0.085 0.000 1.030 54 S CA 0.603 58.878 58.200 0.125 0.000 1.002 54 S CB -0.397 62.988 63.200 0.309 0.000 0.829 54 S HN 0.258 nan 8.310 nan 0.000 0.467 55 F N 1.987 121.661 119.950 -0.459 0.000 2.171 55 F HA -0.020 4.507 4.527 -0.000 0.000 0.300 55 F C 2.288 177.968 175.800 -0.199 0.000 1.090 55 F CA 1.566 59.196 58.000 -0.617 0.000 1.293 55 F CB -0.972 37.394 39.000 -1.056 0.000 1.013 55 F HN 0.285 nan 8.300 nan 0.000 0.486 56 F N -0.076 119.740 119.950 -0.223 0.000 2.075 56 F HA -0.177 4.349 4.527 -0.000 0.000 0.297 56 F C 2.480 178.181 175.800 -0.166 0.000 1.113 56 F CA 2.284 60.153 58.000 -0.220 0.000 1.218 56 F CB -1.733 37.214 39.000 -0.088 0.000 0.984 56 F HN 0.091 nan 8.300 nan 0.000 0.472 57 T N 0.714 115.222 114.554 -0.077 0.000 2.665 57 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 57 T C 2.478 177.165 174.700 -0.023 0.000 1.035 57 T CA 2.648 64.731 62.100 -0.028 0.000 1.151 57 T CB -1.475 67.402 68.868 0.015 0.000 0.862 57 T HN 1.022 nan 8.240 nan 0.000 0.438 58 L N 1.060 122.272 121.223 -0.019 0.000 1.976 58 L HA 0.232 4.572 4.340 -0.000 0.000 0.209 58 L C 2.991 179.841 176.870 -0.034 0.000 1.071 58 L CA 2.887 57.738 54.840 0.019 0.000 0.746 58 L CB -2.273 39.855 42.059 0.114 0.000 0.890 58 L HN 0.553 nan 8.230 nan 0.000 0.432 59 F N 0.189 119.997 119.950 -0.237 0.000 2.126 59 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 59 F C 3.059 178.840 175.800 -0.031 0.000 1.096 59 F CA 4.257 62.120 58.000 -0.229 0.000 1.255 59 F CB -1.556 37.078 39.000 -0.609 0.000 0.997 59 F HN 0.675 nan 8.300 nan 0.000 0.479 60 R N 0.133 120.591 120.500 -0.069 0.000 2.073 60 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 60 R C 2.384 178.689 176.300 0.010 0.000 1.134 60 R CA 1.712 57.798 56.100 -0.023 0.000 0.952 60 R CB -1.580 28.699 30.300 -0.035 0.000 0.850 60 R HN 0.735 nan 8.270 nan 0.000 0.433 61 R N -1.280 119.234 120.500 0.023 0.000 2.092 61 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 61 R C 2.274 178.607 176.300 0.055 0.000 1.119 61 R CA 1.671 57.792 56.100 0.034 0.000 0.970 61 R CB -0.549 29.777 30.300 0.044 0.000 0.864 61 R HN 0.648 nan 8.270 nan 0.000 0.440 62 Y N 0.894 121.181 120.300 -0.022 0.000 2.114 62 Y HA -0.274 4.275 4.550 -0.000 0.000 0.282 62 Y C 1.804 177.697 175.900 -0.010 0.000 1.165 62 Y CA 1.869 59.962 58.100 -0.011 0.000 1.148 62 Y CB -0.374 38.077 38.460 -0.015 0.000 0.972 62 Y HN 0.146 nan 8.280 nan 0.000 0.504 63 L N -0.891 120.254 121.223 -0.131 0.000 2.156 63 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 63 L C 2.317 179.097 176.870 -0.149 0.000 1.095 63 L CA 1.153 55.872 54.840 -0.201 0.000 0.770 63 L CB -0.588 41.446 42.059 -0.042 0.000 0.914 63 L HN 0.172 nan 8.230 nan 0.000 0.439 64 V N -0.329 119.536 119.914 -0.082 0.000 2.295 64 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 64 V C 2.292 178.342 176.094 -0.073 0.000 1.049 64 V CA 2.050 64.315 62.300 -0.058 0.000 1.024 64 V CB -0.629 31.179 31.823 -0.026 0.000 0.648 64 V HN 0.493 nan 8.190 nan 0.000 0.447 65 E N 0.013 120.163 120.200 -0.084 0.000 2.338 65 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 65 E C 2.080 178.603 176.600 -0.129 0.000 1.007 65 E CA 0.878 57.231 56.400 -0.079 0.000 0.849 65 E CB -0.131 29.542 29.700 -0.046 0.000 0.774 65 E HN 0.515 nan 8.360 nan 0.000 0.506 66 K N 1.143 121.413 120.400 -0.217 0.000 2.209 66 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 66 K C 2.109 178.634 176.600 -0.125 0.000 1.048 66 K CA 1.298 57.445 56.287 -0.233 0.000 0.940 66 K CB -0.128 32.174 32.500 -0.330 0.000 0.729 66 K HN -0.029 nan 8.250 nan 0.000 0.451 67 S N -0.221 115.424 115.700 -0.092 0.000 2.335 67 S HA -0.052 4.418 4.470 -0.000 0.000 0.217 67 S C 0.741 175.317 174.600 -0.041 0.000 1.032 67 S CA 0.790 58.957 58.200 -0.056 0.000 0.985 67 S CB -0.459 62.715 63.200 -0.043 0.000 0.896 67 S HN 0.551 nan 8.310 nan 0.000 0.445 68 S N 1.387 117.065 115.700 -0.036 0.000 2.652 68 S HA 0.454 4.924 4.470 -0.000 0.000 0.270 68 S C -0.055 174.534 174.600 -0.019 0.000 1.243 68 S CA -1.005 57.183 58.200 -0.020 0.000 0.999 68 S CB 0.618 63.812 63.200 -0.010 0.000 0.973 68 S HN 0.688 nan 8.310 nan 0.000 0.544 69 R N 0.259 120.756 120.500 -0.006 0.000 2.484 69 R HA 0.220 4.560 4.340 -0.000 0.000 0.293 69 R C -0.911 175.391 176.300 0.003 0.000 1.023 69 R CA 0.096 56.197 56.100 0.000 0.000 1.037 69 R CB -0.611 29.697 30.300 0.013 0.000 0.951 69 R HN 0.537 nan 8.270 nan 0.000 0.418 70 T N 3.753 118.306 114.554 -0.002 0.000 3.332 70 T HA 0.247 4.597 4.350 -0.000 0.000 0.385 70 T C -0.966 173.734 174.700 0.000 0.000 1.695 70 T CA -0.474 61.627 62.100 0.001 0.000 1.397 70 T CB 0.787 69.653 68.868 -0.004 0.000 1.100 70 T HN 0.719 nan 8.240 nan 0.000 0.669 71 T N 1.896 116.450 114.554 0.001 0.000 3.578 71 T HA 0.478 4.828 4.350 -0.000 0.000 0.343 71 T C 0.239 174.930 174.700 -0.015 0.000 1.126 71 T CA -0.838 61.254 62.100 -0.015 0.000 1.092 71 T CB 0.800 69.668 68.868 0.000 0.000 1.160 71 T HN 0.597 nan 8.240 nan 0.000 0.469 72 L N 1.149 122.321 121.223 -0.086 0.000 2.543 72 L HA 0.678 5.018 4.340 -0.000 0.000 0.285 72 L C 0.805 177.670 176.870 -0.009 0.000 1.236 72 L CA 0.234 54.984 54.840 -0.149 0.000 0.871 72 L CB -1.362 40.367 42.059 -0.550 0.000 1.121 72 L HN 1.096 nan 8.230 nan 0.000 0.501 73 E N 2.795 123.091 120.200 0.160 0.000 2.351 73 E HA 0.115 4.465 4.350 -0.000 0.000 0.266 73 E C 0.864 177.585 176.600 0.200 0.000 1.031 73 E CA 0.070 56.589 56.400 0.199 0.000 0.911 73 E CB 0.059 29.887 29.700 0.212 0.000 0.986 73 E HN 1.089 nan 8.360 nan 0.000 0.446 74 W N 2.728 124.003 121.300 -0.042 0.000 2.363 74 W HA -0.162 4.498 4.660 -0.000 0.000 0.296 74 W C 0.610 177.098 176.519 -0.052 0.000 1.212 74 W CA 1.896 59.163 57.345 -0.131 0.000 1.260 74 W CB 0.066 29.268 29.460 -0.429 0.000 1.131 74 W HN 0.740 nan 8.180 nan 0.000 0.530 75 D N 0.820 121.295 120.400 0.126 0.000 2.158 75 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 75 D C 2.235 178.525 176.300 -0.018 0.000 0.995 75 D CA 2.958 56.994 54.000 0.060 0.000 0.846 75 D CB -0.203 40.650 40.800 0.088 0.000 0.941 75 D HN 0.265 nan 8.370 nan 0.000 0.456 76 K N 0.170 120.594 120.400 0.039 0.000 2.387 76 K HA 0.224 4.544 4.320 -0.000 0.000 0.198 76 K C 0.989 177.658 176.600 0.116 0.000 1.022 76 K CA 0.033 56.321 56.287 0.002 0.000 1.128 76 K CB -1.023 31.394 32.500 -0.137 0.000 0.853 76 K HN 0.451 nan 8.250 nan 0.000 0.523 77 I N -1.721 118.881 120.570 0.053 0.000 2.396 77 I HA 0.607 4.777 4.170 -0.000 0.000 0.289 77 I C -0.022 176.010 176.117 -0.142 0.000 1.056 77 I CA -0.646 60.641 61.300 -0.020 0.000 1.365 77 I CB 0.964 38.773 38.000 -0.318 0.000 1.407 77 I HN 0.077 nan 8.210 nan 0.000 0.509 78 K N 4.116 124.486 120.400 -0.050 0.000 2.340 78 K HA 0.724 5.044 4.320 -0.000 0.000 0.244 78 K C -0.135 176.422 176.600 -0.071 0.000 0.973 78 K CA -0.301 55.938 56.287 -0.080 0.000 0.828 78 K CB 1.321 33.788 32.500 -0.055 0.000 1.226 78 K HN 0.873 nan 8.250 nan 0.000 0.437 79 S N 2.072 117.712 115.700 -0.100 0.000 2.523 79 S HA 0.528 4.998 4.470 -0.000 0.000 0.275 79 S C -2.082 172.486 174.600 -0.053 0.000 1.281 79 S CA -1.196 56.939 58.200 -0.108 0.000 1.050 79 S CB 0.565 63.665 63.200 -0.166 0.000 0.937 79 S HN 0.617 nan 8.310 nan 0.000 0.492 80 P HA 0.123 nan 4.420 nan 0.000 0.264 80 P C -0.749 176.549 177.300 -0.002 0.000 1.179 80 P CA -0.050 63.052 63.100 0.003 0.000 0.763 80 P CB 0.252 31.966 31.700 0.024 0.000 0.806 81 N N 3.248 121.952 118.700 0.007 0.000 2.417 81 N HA 0.237 4.977 4.740 -0.000 0.000 0.300 81 N C -1.493 174.028 175.510 0.018 0.000 1.102 81 N CA -2.315 50.738 53.050 0.005 0.000 0.886 81 N CB 0.459 38.945 38.487 -0.002 0.000 1.203 81 N HN 0.177 nan 8.380 nan 0.000 0.496 82 P HA -0.237 nan 4.420 nan 0.000 0.220 82 P C 0.461 177.783 177.300 0.036 0.000 1.149 82 P CA 1.422 64.538 63.100 0.026 0.000 0.829 82 P CB 0.470 32.178 31.700 0.015 0.000 0.772 83 D N -0.674 119.741 120.400 0.023 0.000 2.162 83 D HA -0.104 4.536 4.640 -0.000 0.000 0.203 83 D C 1.871 178.194 176.300 0.039 0.000 0.967 83 D CA 0.887 54.892 54.000 0.008 0.000 0.840 83 D CB -0.074 40.718 40.800 -0.013 0.000 0.972 83 D HN 0.162 nan 8.370 nan 0.000 0.482 84 E N -0.966 119.275 120.200 0.069 0.000 2.170 84 E HA 0.085 4.435 4.350 -0.000 0.000 0.191 84 E C -0.249 176.453 176.600 0.171 0.000 0.981 84 E CA 0.361 56.833 56.400 0.120 0.000 0.830 84 E CB 1.087 30.833 29.700 0.077 0.000 0.775 84 E HN 0.025 nan 8.360 nan 0.000 0.470 85 V N 1.966 121.955 119.914 0.126 0.000 2.445 85 V HA 0.172 4.291 4.120 -0.000 0.000 0.283 85 V C -0.686 175.467 176.094 0.099 0.000 1.014 85 V CA -0.658 61.709 62.300 0.111 0.000 0.852 85 V CB 1.722 33.585 31.823 0.066 0.000 1.021 85 V HN -0.133 nan 8.190 nan 0.000 0.435 86 V N 5.279 125.272 119.914 0.131 0.000 2.432 86 V HA 0.338 4.458 4.120 -0.000 0.000 0.275 86 V C 0.660 176.782 176.094 0.046 0.000 1.043 86 V CA -0.697 61.658 62.300 0.091 0.000 0.925 86 V CB 1.401 33.295 31.823 0.119 0.000 0.985 86 V HN 0.745 nan 8.190 nan 0.000 0.466 87 K N 2.286 122.710 120.400 0.040 0.000 2.230 87 K HA 0.091 4.411 4.320 -0.000 0.000 0.253 87 K C 0.604 177.244 176.600 0.067 0.000 1.008 87 K CA -0.118 56.202 56.287 0.056 0.000 0.910 87 K CB 0.505 33.035 32.500 0.049 0.000 0.994 87 K HN 0.657 nan 8.250 nan 0.000 0.495 88 Y N 1.781 122.060 120.300 -0.034 0.000 2.153 88 Y HA -0.244 4.306 4.550 -0.000 0.000 0.289 88 Y C 2.599 178.478 175.900 -0.036 0.000 1.127 88 Y CA 2.518 60.591 58.100 -0.045 0.000 1.131 88 Y CB -0.642 37.803 38.460 -0.024 0.000 0.995 88 Y HN 0.895 nan 8.280 nan 0.000 0.505 89 E N 0.785 120.985 120.200 0.001 0.000 2.164 89 E HA -0.307 4.043 4.350 -0.000 0.000 0.206 89 E C 1.983 178.507 176.600 -0.127 0.000 1.032 89 E CA 2.486 58.847 56.400 -0.065 0.000 0.832 89 E CB -1.530 28.172 29.700 0.003 0.000 0.742 89 E HN 0.694 nan 8.360 nan 0.000 0.460 90 I N -0.211 120.298 120.570 -0.102 0.000 2.226 90 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 90 I C 2.725 178.763 176.117 -0.132 0.000 1.100 90 I CA 1.428 62.678 61.300 -0.084 0.000 1.374 90 I CB -0.166 37.814 38.000 -0.033 0.000 1.057 90 I HN 0.297 nan 8.210 nan 0.000 0.413 91 I N -0.565 119.848 120.570 -0.262 0.000 2.202 91 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 91 I C 2.663 178.592 176.117 -0.313 0.000 1.091 91 I CA 0.868 61.985 61.300 -0.305 0.000 1.368 91 I CB -0.341 37.373 38.000 -0.477 0.000 1.058 91 I HN 0.201 nan 8.210 nan 0.000 0.410 92 S N 0.576 115.994 115.700 -0.471 0.000 2.531 92 S HA -0.271 4.199 4.470 -0.000 0.000 0.235 92 S C 0.913 175.405 174.600 -0.180 0.000 1.061 92 S CA 1.437 59.402 58.200 -0.391 0.000 1.250 92 S CB -0.440 62.562 63.200 -0.329 0.000 1.183 92 S HN 0.420 nan 8.310 nan 0.000 0.413 93 Q N 1.417 121.147 119.800 -0.117 0.000 2.613 93 Q HA 0.354 4.694 4.340 -0.000 0.000 0.228 93 Q C 0.617 176.579 176.000 -0.062 0.000 1.318 93 Q CA 0.276 56.040 55.803 -0.066 0.000 0.907 93 Q CB 0.065 28.779 28.738 -0.041 0.000 1.593 93 Q HN 0.596 nan 8.270 nan 0.000 0.559 94 Q N 2.057 121.820 119.800 -0.062 0.000 1.734 94 Q HA 0.338 4.678 4.340 -0.000 0.000 0.147 94 Q C -1.983 173.994 176.000 -0.038 0.000 0.447 94 Q CA 0.261 56.036 55.803 -0.045 0.000 0.734 94 Q CB -0.539 28.174 28.738 -0.042 0.000 0.855 94 Q HN 0.552 nan 8.270 nan 0.000 0.259 95 P HA 0.854 nan 4.420 nan 0.000 0.321 95 P C -1.647 175.629 177.300 -0.040 0.000 1.259 95 P CA 0.243 63.320 63.100 -0.038 0.000 0.864 95 P CB 1.707 33.382 31.700 -0.043 0.000 1.355 96 E N -0.045 120.131 120.200 -0.041 0.000 2.651 96 E HA 0.403 4.752 4.350 -0.000 0.000 0.360 96 E C -1.719 174.846 176.600 -0.059 0.000 0.932 96 E CA -0.749 55.623 56.400 -0.046 0.000 0.761 96 E CB -0.340 29.348 29.700 -0.020 0.000 1.462 96 E HN 0.544 nan 8.360 nan 0.000 0.392 97 N N 2.270 120.916 118.700 -0.090 0.000 2.504 97 N HA 0.371 5.111 4.740 -0.000 0.000 0.280 97 N C 0.582 176.005 175.510 -0.145 0.000 1.052 97 N CA -0.451 52.544 53.050 -0.092 0.000 0.887 97 N CB 1.927 40.372 38.487 -0.070 0.000 1.323 97 N HN 0.241 nan 8.380 nan 0.000 0.509 98 V N 2.343 122.166 119.914 -0.153 0.000 2.307 98 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 98 V C 1.991 178.004 176.094 -0.135 0.000 1.045 98 V CA 1.740 63.909 62.300 -0.219 0.000 1.024 98 V CB -0.569 31.182 31.823 -0.121 0.000 0.651 98 V HN 0.664 nan 8.190 nan 0.000 0.449 99 S N 0.879 116.535 115.700 -0.075 0.000 2.400 99 S HA -0.305 4.165 4.470 -0.000 0.000 0.234 99 S C 1.786 176.358 174.600 -0.046 0.000 1.049 99 S CA 1.912 60.085 58.200 -0.045 0.000 1.039 99 S CB -0.674 62.507 63.200 -0.031 0.000 0.856 99 S HN 0.653 nan 8.310 nan 0.000 0.465 100 N N 1.704 120.367 118.700 -0.062 0.000 2.091 100 N HA -0.099 4.641 4.740 -0.000 0.000 0.193 100 N C 1.436 176.927 175.510 -0.032 0.000 1.021 100 N CA 1.026 54.047 53.050 -0.048 0.000 0.862 100 N CB -0.688 37.758 38.487 -0.067 0.000 1.018 100 N HN 0.398 nan 8.380 nan 0.000 0.429 101 L N -0.191 120.997 121.223 -0.058 0.000 2.261 101 L HA -0.135 4.205 4.340 -0.000 0.000 0.216 101 L C 2.292 179.162 176.870 -0.000 0.000 1.114 101 L CA 0.675 55.496 54.840 -0.031 0.000 0.777 101 L CB -0.501 41.522 42.059 -0.061 0.000 0.910 101 L HN 0.212 nan 8.230 nan 0.000 0.440 102 S N 0.223 115.921 115.700 -0.003 0.000 2.402 102 S HA -0.269 4.201 4.470 -0.000 0.000 0.233 102 S C 2.244 176.855 174.600 0.019 0.000 1.030 102 S CA 2.137 60.342 58.200 0.008 0.000 1.003 102 S CB 0.008 63.210 63.200 0.004 0.000 0.813 102 S HN 0.552 nan 8.310 nan 0.000 0.477 103 K N 0.118 120.533 120.400 0.025 0.000 2.262 103 K HA 0.416 4.736 4.320 -0.000 0.000 0.200 103 K C 0.686 177.322 176.600 0.060 0.000 1.058 103 K CA 0.518 56.829 56.287 0.040 0.000 0.974 103 K CB -0.972 31.553 32.500 0.041 0.000 0.910 103 K HN 0.366 nan 8.250 nan 0.000 0.484 104 L N 1.866 123.132 121.223 0.072 0.000 2.540 104 L HA 0.446 4.786 4.340 -0.000 0.000 0.276 104 L C 0.220 177.146 176.870 0.094 0.000 1.212 104 L CA -0.409 54.499 54.840 0.113 0.000 0.893 104 L CB 0.311 42.453 42.059 0.138 0.000 1.138 104 L HN 0.464 nan 8.230 nan 0.000 0.491 105 A N 4.734 127.617 122.820 0.104 0.000 2.384 105 A HA 0.829 5.148 4.320 -0.000 0.000 0.312 105 A C -1.265 176.377 177.584 0.097 0.000 1.113 105 A CA -0.618 51.468 52.037 0.081 0.000 0.779 105 A CB 1.762 20.796 19.000 0.056 0.000 1.307 105 A HN 0.499 nan 8.150 nan 0.000 0.436 106 V N 1.988 121.951 119.914 0.081 0.000 2.409 106 V HA 0.444 4.564 4.120 -0.000 0.000 0.290 106 V C -0.491 175.615 176.094 0.019 0.000 1.017 106 V CA -0.238 62.120 62.300 0.097 0.000 0.841 106 V CB 1.024 32.938 31.823 0.152 0.000 1.003 106 V HN 0.822 nan 8.190 nan 0.000 0.426 107 L N 4.293 125.481 121.223 -0.060 0.000 2.325 107 L HA 0.764 5.104 4.340 -0.000 0.000 0.278 107 L C -0.383 176.393 176.870 -0.156 0.000 1.023 107 L CA -0.606 54.193 54.840 -0.069 0.000 0.811 107 L CB 1.753 43.791 42.059 -0.035 0.000 1.249 107 L HN 0.540 nan 8.230 nan 0.000 0.431 108 K N 4.429 124.753 120.400 -0.127 0.000 2.483 108 K HA 0.457 4.777 4.320 -0.000 0.000 0.256 108 K C -1.121 175.368 176.600 -0.186 0.000 0.961 108 K CA -0.346 55.842 56.287 -0.165 0.000 0.873 108 K CB 1.034 33.462 32.500 -0.121 0.000 1.107 108 K HN 0.541 nan 8.250 nan 0.000 0.432 109 L N 3.318 124.411 121.223 -0.217 0.000 2.628 109 L HA -0.008 4.332 4.340 -0.000 0.000 0.274 109 L C 0.763 177.495 176.870 -0.229 0.000 1.209 109 L CA 0.275 54.978 54.840 -0.227 0.000 0.930 109 L CB -0.053 41.855 42.059 -0.251 0.000 1.183 109 L HN 0.659 nan 8.230 nan 0.000 0.492 110 N N 1.184 119.746 118.700 -0.230 0.000 2.305 110 N HA 0.141 4.881 4.740 -0.000 0.000 0.248 110 N C 1.188 176.575 175.510 -0.206 0.000 1.290 110 N CA 0.394 53.315 53.050 -0.215 0.000 0.873 110 N CB 0.826 39.196 38.487 -0.194 0.000 1.261 110 N HN 0.574 nan 8.380 nan 0.000 0.504 111 G N -0.921 107.759 108.800 -0.201 0.000 2.650 111 G HA2 0.094 4.054 3.960 -0.000 0.000 0.214 111 G HA3 0.094 4.054 3.960 -0.000 0.000 0.214 111 G C 0.701 175.494 174.900 -0.179 0.000 1.136 111 G CA 0.100 45.090 45.100 -0.184 0.000 0.789 111 G HN 0.314 nan 8.290 nan 0.000 0.536 112 G N 0.175 108.867 108.800 -0.181 0.000 2.361 112 G HA2 0.448 4.408 3.960 -0.000 0.000 0.260 112 G HA3 0.448 4.408 3.960 -0.000 0.000 0.260 112 G C -0.098 174.705 174.900 -0.163 0.000 1.261 112 G CA -0.462 44.535 45.100 -0.171 0.000 0.897 112 G HN 0.241 nan 8.290 nan 0.000 0.499 113 L N 1.486 122.624 121.223 -0.141 0.000 2.439 113 L HA 0.523 4.863 4.340 -0.000 0.000 0.259 113 L C 1.406 178.214 176.870 -0.104 0.000 1.129 113 L CA -0.460 54.309 54.840 -0.118 0.000 0.803 113 L CB 1.507 43.502 42.059 -0.108 0.000 1.161 113 L HN 0.592 nan 8.230 nan 0.000 0.462 114 G N -1.521 107.231 108.800 -0.081 0.000 4.222 114 G HA2 0.108 4.067 3.960 -0.000 0.000 0.301 114 G HA3 0.108 4.067 3.960 -0.000 0.000 0.301 114 G C 0.947 175.820 174.900 -0.046 0.000 1.171 114 G CA 0.370 45.431 45.100 -0.065 0.000 0.937 114 G HN 0.729 nan 8.290 nan 0.000 0.557 115 T N -1.760 112.766 114.554 -0.047 0.000 2.857 115 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 115 T C 2.585 177.268 174.700 -0.029 0.000 1.048 115 T CA 1.615 63.694 62.100 -0.035 0.000 1.139 115 T CB -0.343 68.505 68.868 -0.034 0.000 0.874 115 T HN 0.359 nan 8.240 nan 0.000 0.455 116 S N 0.986 116.666 115.700 -0.033 0.000 2.547 116 S HA 0.128 4.598 4.470 -0.000 0.000 0.235 116 S C 1.556 176.142 174.600 -0.023 0.000 0.980 116 S CA 0.405 58.589 58.200 -0.027 0.000 0.941 116 S CB -0.698 62.482 63.200 -0.032 0.000 0.763 116 S HN 0.524 nan 8.310 nan 0.000 0.532 117 M N 0.958 120.542 119.600 -0.026 0.000 2.589 117 M HA 0.309 4.789 4.480 -0.000 0.000 0.344 117 M C 0.824 177.115 176.300 -0.014 0.000 1.168 117 M CA 0.118 55.406 55.300 -0.021 0.000 0.956 117 M CB 0.856 33.440 32.600 -0.025 0.000 1.370 117 M HN 0.466 nan 8.290 nan 0.000 0.518 118 G N 1.517 110.308 108.800 -0.015 0.000 2.351 118 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.297 118 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.297 118 G C -0.542 174.351 174.900 -0.011 0.000 1.054 118 G CA -0.230 44.862 45.100 -0.012 0.000 1.123 118 G HN 0.542 nan 8.290 nan 0.000 0.512 119 C N -0.220 119.070 119.300 -0.016 0.000 2.608 119 C HA 0.512 4.972 4.460 -0.000 0.000 0.325 119 C C 0.522 175.499 174.990 -0.022 0.000 1.147 119 C CA -0.851 58.158 59.018 -0.015 0.000 1.359 119 C CB 1.809 29.543 27.740 -0.010 0.000 1.912 119 C HN 0.576 nan 8.230 nan 0.000 0.466 120 V N 4.668 124.571 119.914 -0.019 0.000 2.405 120 V HA 0.691 4.811 4.120 -0.000 0.000 0.264 120 V C 0.860 176.939 176.094 -0.025 0.000 1.048 120 V CA 1.734 64.020 62.300 -0.023 0.000 0.966 120 V CB 0.146 31.959 31.823 -0.017 0.000 1.015 120 V HN 1.351 nan 8.190 nan 0.000 0.477 121 G N 6.936 115.714 108.800 -0.037 0.000 2.331 121 G HA2 0.031 3.991 3.960 -0.000 0.000 0.402 121 G HA3 0.031 3.991 3.960 -0.000 0.000 0.402 121 G C -3.411 171.454 174.900 -0.059 0.000 1.275 121 G CA -1.109 43.966 45.100 -0.042 0.000 1.003 121 G HN 0.467 nan 8.290 nan 0.000 0.500 122 P HA 0.220 nan 4.420 nan 0.000 0.266 122 P C 0.839 178.091 177.300 -0.080 0.000 1.215 122 P CA 0.032 63.081 63.100 -0.085 0.000 0.763 122 P CB 1.135 32.792 31.700 -0.072 0.000 0.806 123 K N 3.316 123.643 120.400 -0.122 0.000 2.189 123 K HA -0.244 4.076 4.320 -0.000 0.000 0.207 123 K C 1.570 178.082 176.600 -0.147 0.000 1.046 123 K CA 2.224 58.424 56.287 -0.145 0.000 0.928 123 K CB -0.262 32.098 32.500 -0.234 0.000 0.720 123 K HN 0.481 nan 8.250 nan 0.000 0.458 124 S N -0.169 115.422 115.700 -0.181 0.000 2.607 124 S HA -0.035 4.435 4.470 -0.000 0.000 0.224 124 S C 1.500 176.194 174.600 0.157 0.000 0.969 124 S CA 0.542 58.686 58.200 -0.093 0.000 0.927 124 S CB 0.117 63.227 63.200 -0.150 0.000 0.772 124 S HN 0.277 nan 8.310 nan 0.000 0.533 125 V N -1.209 118.764 119.914 0.099 0.000 3.596 125 V HA 0.489 4.609 4.120 -0.000 0.000 0.289 125 V C 0.452 176.606 176.094 0.100 0.000 1.336 125 V CA -0.594 61.765 62.300 0.098 0.000 1.137 125 V CB -1.020 30.830 31.823 0.046 0.000 0.966 125 V HN 0.442 nan 8.190 nan 0.000 0.428 126 I N 1.817 122.481 120.570 0.157 0.000 2.556 126 I HA 0.148 4.318 4.170 -0.000 0.000 0.284 126 I C 0.659 176.785 176.117 0.015 0.000 1.114 126 I CA 0.104 61.465 61.300 0.100 0.000 1.418 126 I CB 0.497 38.584 38.000 0.145 0.000 1.394 126 I HN 0.298 nan 8.210 nan 0.000 0.552 127 E N 4.686 124.868 120.200 -0.031 0.000 2.406 127 E HA -0.037 4.313 4.350 -0.000 0.000 0.258 127 E C 0.683 177.181 176.600 -0.170 0.000 1.043 127 E CA -0.065 56.286 56.400 -0.081 0.000 0.929 127 E CB 1.208 30.881 29.700 -0.045 0.000 0.969 127 E HN 0.590 nan 8.360 nan 0.000 0.462 128 V N 3.735 123.476 119.914 -0.289 0.000 2.788 128 V HA 0.191 4.311 4.120 -0.000 0.000 0.241 128 V C 0.477 176.415 176.094 -0.261 0.000 1.083 128 V CA 0.723 62.786 62.300 -0.395 0.000 1.103 128 V CB 0.508 31.862 31.823 -0.783 0.000 0.800 128 V HN 0.510 nan 8.190 nan 0.000 0.476 129 R N 0.680 121.057 120.500 -0.206 0.000 2.548 129 R HA 0.307 4.647 4.340 -0.000 0.000 0.280 129 R C -0.839 175.410 176.300 -0.085 0.000 1.061 129 R CA -0.102 55.919 56.100 -0.133 0.000 0.915 129 R CB 1.392 31.604 30.300 -0.147 0.000 1.210 129 R HN 0.603 nan 8.270 nan 0.000 0.442 130 E N 2.146 122.316 120.200 -0.049 0.000 2.183 130 E HA -0.298 4.052 4.350 -0.000 0.000 0.196 130 E C 0.616 177.198 176.600 -0.029 0.000 1.364 130 E CA 0.765 57.148 56.400 -0.029 0.000 0.700 130 E CB -1.229 28.454 29.700 -0.028 0.000 1.106 130 E HN 1.156 nan 8.360 nan 0.000 0.347 131 G N 0.403 109.186 108.800 -0.029 0.000 2.328 131 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.256 131 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.256 131 G C 0.202 175.084 174.900 -0.031 0.000 1.014 131 G CA 0.350 45.436 45.100 -0.024 0.000 0.620 131 G HN 0.456 nan 8.290 nan 0.000 0.530 132 N N 2.296 120.969 118.700 -0.046 0.000 2.497 132 N HA 0.351 5.091 4.740 -0.000 0.000 0.268 132 N C 0.994 176.457 175.510 -0.079 0.000 1.171 132 N CA 0.933 53.957 53.050 -0.044 0.000 0.948 132 N CB 1.026 39.482 38.487 -0.051 0.000 1.069 132 N HN 0.683 nan 8.380 nan 0.000 0.460 133 T N -0.917 113.620 114.554 -0.028 0.000 2.732 133 T HA 0.172 4.522 4.350 -0.000 0.000 0.287 133 T C 1.479 176.149 174.700 -0.050 0.000 0.993 133 T CA -0.303 61.782 62.100 -0.025 0.000 0.966 133 T CB 0.221 69.137 68.868 0.081 0.000 1.047 133 T HN 0.281 nan 8.240 nan 0.000 0.527 134 F N -0.120 119.808 119.950 -0.037 0.000 2.095 134 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 134 F C 2.292 178.071 175.800 -0.035 0.000 1.104 134 F CA 1.125 59.093 58.000 -0.053 0.000 1.232 134 F CB -0.664 38.294 39.000 -0.069 0.000 0.987 134 F HN 0.342 nan 8.300 nan 0.000 0.475 135 L N 0.323 121.668 121.223 0.203 0.000 2.056 135 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 135 L C 1.851 178.767 176.870 0.076 0.000 1.078 135 L CA 1.761 56.668 54.840 0.112 0.000 0.749 135 L CB -1.090 41.043 42.059 0.125 0.000 0.901 135 L HN -0.003 nan 8.230 nan 0.000 0.433 136 D N -0.227 120.259 120.400 0.143 0.000 2.127 136 D HA -0.269 4.371 4.640 -0.000 0.000 0.190 136 D C 2.294 178.621 176.300 0.045 0.000 1.000 136 D CA 2.001 56.090 54.000 0.148 0.000 0.839 136 D CB -0.491 40.384 40.800 0.125 0.000 0.955 136 D HN 0.346 nan 8.370 nan 0.000 0.446 137 L N 0.606 121.842 121.223 0.022 0.000 2.127 137 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 137 L C 2.573 179.448 176.870 0.009 0.000 1.089 137 L CA 0.810 55.650 54.840 -0.001 0.000 0.757 137 L CB -0.313 41.726 42.059 -0.034 0.000 0.899 137 L HN -0.050 nan 8.230 nan 0.000 0.434 138 S N -0.469 115.238 115.700 0.011 0.000 2.351 138 S HA -0.180 4.289 4.470 -0.000 0.000 0.220 138 S C 2.032 176.611 174.600 -0.034 0.000 1.035 138 S CA 1.541 59.740 58.200 -0.002 0.000 1.031 138 S CB -0.294 62.897 63.200 -0.016 0.000 0.928 138 S HN 0.169 nan 8.310 nan 0.000 0.433 139 V N 2.129 121.975 119.914 -0.113 0.000 2.219 139 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 139 V C 2.496 178.570 176.094 -0.033 0.000 1.053 139 V CA 1.869 64.073 62.300 -0.160 0.000 1.009 139 V CB -0.729 30.854 31.823 -0.399 0.000 0.636 139 V HN 0.382 nan 8.190 nan 0.000 0.445 140 R N -0.520 119.983 120.500 0.006 0.000 2.140 140 R HA -0.282 4.058 4.340 -0.000 0.000 0.250 140 R C 2.424 178.779 176.300 0.093 0.000 1.150 140 R CA 2.218 58.352 56.100 0.056 0.000 0.966 140 R CB -0.396 29.929 30.300 0.042 0.000 0.869 140 R HN 0.621 nan 8.270 nan 0.000 0.445 141 Q N -0.264 119.581 119.800 0.075 0.000 2.224 141 Q HA -0.058 4.282 4.340 -0.000 0.000 0.203 141 Q C 1.996 178.091 176.000 0.158 0.000 0.970 141 Q CA 0.960 56.833 55.803 0.116 0.000 0.865 141 Q CB 0.164 28.952 28.738 0.084 0.000 0.922 141 Q HN 0.397 nan 8.270 nan 0.000 0.445 142 I N -0.594 120.038 120.570 0.103 0.000 2.731 142 I HA -0.145 4.025 4.170 -0.000 0.000 0.260 142 I C 2.041 178.208 176.117 0.084 0.000 1.138 142 I CA 0.328 61.680 61.300 0.086 0.000 1.461 142 I CB 0.199 38.226 38.000 0.045 0.000 1.128 142 I HN 0.154 nan 8.210 nan 0.000 0.438 143 E N 0.563 120.808 120.200 0.076 0.000 2.108 143 E HA -0.366 3.984 4.350 -0.000 0.000 0.203 143 E C 2.004 178.668 176.600 0.107 0.000 1.022 143 E CA 2.291 58.739 56.400 0.081 0.000 0.823 143 E CB -0.290 29.464 29.700 0.091 0.000 0.744 143 E HN 0.545 nan 8.360 nan 0.000 0.456 144 Y N 0.033 120.336 120.300 0.006 0.000 2.457 144 Y HA -0.046 4.504 4.550 -0.000 0.000 0.292 144 Y C 1.824 177.699 175.900 -0.042 0.000 1.125 144 Y CA 0.769 58.847 58.100 -0.037 0.000 1.254 144 Y CB 0.086 38.521 38.460 -0.042 0.000 1.012 144 Y HN 0.139 nan 8.280 nan 0.000 0.555 145 L N 0.287 121.525 121.223 0.025 0.000 2.044 145 L HA -0.187 4.153 4.340 -0.000 0.000 0.205 145 L C 1.540 178.425 176.870 0.024 0.000 1.075 145 L CA 1.661 56.516 54.840 0.024 0.000 0.747 145 L CB -0.819 41.307 42.059 0.112 0.000 0.903 145 L HN 0.273 nan 8.230 nan 0.000 0.435 146 N N 0.816 119.528 118.700 0.021 0.000 2.149 146 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 146 N C 2.017 177.508 175.510 -0.032 0.000 1.019 146 N CA 2.057 55.120 53.050 0.020 0.000 0.857 146 N CB -0.365 38.136 38.487 0.023 0.000 0.997 146 N HN 0.398 nan 8.380 nan 0.000 0.426 147 R N 0.876 121.312 120.500 -0.106 0.000 2.093 147 R HA 0.111 4.451 4.340 -0.000 0.000 0.224 147 R C 1.997 178.129 176.300 -0.279 0.000 1.101 147 R CA 0.857 56.867 56.100 -0.150 0.000 0.979 147 R CB -1.053 29.172 30.300 -0.125 0.000 0.877 147 R HN 0.203 nan 8.270 nan 0.000 0.441 148 Q N -0.765 118.735 119.800 -0.500 0.000 2.224 148 Q HA -0.041 4.299 4.340 -0.000 0.000 0.203 148 Q C 0.158 175.651 176.000 -0.845 0.000 0.970 148 Q CA 1.271 56.593 55.803 -0.802 0.000 0.865 148 Q CB 0.211 28.227 28.738 -1.205 0.000 0.922 148 Q HN 0.838 nan 8.270 nan 0.000 0.445 149 Y N -1.013 119.200 120.300 -0.146 0.000 2.715 149 Y HA 0.212 4.762 4.550 -0.000 0.000 0.255 149 Y C 0.097 175.959 175.900 -0.063 0.000 1.139 149 Y CA -0.360 57.686 58.100 -0.089 0.000 1.151 149 Y CB -0.374 38.041 38.460 -0.075 0.000 1.201 149 Y HN 0.052 nan 8.280 nan 0.000 0.556 150 D N 1.360 121.768 120.400 0.013 0.000 2.982 150 D HA -0.028 4.612 4.640 -0.000 0.000 0.207 150 D C 0.454 176.779 176.300 0.041 0.000 1.258 150 D CA 1.145 55.152 54.000 0.012 0.000 0.758 150 D CB -1.096 39.706 40.800 0.003 0.000 0.886 150 D HN 0.461 nan 8.370 nan 0.000 0.389 151 S N -1.314 114.416 115.700 0.050 0.000 2.745 151 S HA 0.698 5.168 4.470 -0.000 0.000 0.306 151 S C -0.594 174.027 174.600 0.034 0.000 1.137 151 S CA -0.131 58.097 58.200 0.048 0.000 0.900 151 S CB 2.640 65.878 63.200 0.064 0.000 1.176 151 S HN 0.619 nan 8.310 nan 0.000 0.520 152 D N 0.417 120.836 120.400 0.031 0.000 2.363 152 D HA 0.489 5.129 4.640 -0.000 0.000 0.258 152 D C -1.419 174.899 176.300 0.030 0.000 1.259 152 D CA -0.345 53.672 54.000 0.028 0.000 0.921 152 D CB 1.014 41.828 40.800 0.023 0.000 1.201 152 D HN 0.441 nan 8.370 nan 0.000 0.524 153 V N 4.535 124.469 119.914 0.034 0.000 2.439 153 V HA 0.577 4.697 4.120 -0.000 0.000 0.282 153 V C -1.866 174.249 176.094 0.034 0.000 1.039 153 V CA -1.376 60.947 62.300 0.038 0.000 0.913 153 V CB 1.521 33.371 31.823 0.046 0.000 0.983 153 V HN 0.489 nan 8.190 nan 0.000 0.460 154 P HA 0.506 nan 4.420 nan 0.000 0.292 154 P C -0.652 176.666 177.300 0.029 0.000 1.283 154 P CA -0.378 62.739 63.100 0.028 0.000 0.835 154 P CB 1.517 33.234 31.700 0.029 0.000 1.017 155 L N 4.110 125.342 121.223 0.015 0.000 2.276 155 L HA 0.551 4.891 4.340 -0.000 0.000 0.286 155 L C -0.070 176.812 176.870 0.020 0.000 1.061 155 L CA -0.729 54.115 54.840 0.007 0.000 0.807 155 L CB -0.061 41.980 42.059 -0.030 0.000 1.177 155 L HN 0.377 nan 8.230 nan 0.000 0.429 156 L N 4.545 125.788 121.223 0.033 0.000 2.325 156 L HA 0.588 4.928 4.340 -0.000 0.000 0.281 156 L C -0.579 176.316 176.870 0.042 0.000 1.004 156 L CA -0.453 54.437 54.840 0.084 0.000 0.823 156 L CB 1.659 43.797 42.059 0.132 0.000 1.236 156 L HN 0.694 nan 8.230 nan 0.000 0.415 157 L N 5.224 126.455 121.223 0.014 0.000 2.321 157 L HA 0.396 4.736 4.340 -0.000 0.000 0.272 157 L C 0.193 176.882 176.870 -0.303 0.000 1.050 157 L CA -0.089 54.687 54.840 -0.107 0.000 0.893 157 L CB 1.258 43.268 42.059 -0.082 0.000 1.272 157 L HN 0.652 nan 8.230 nan 0.000 0.435 158 M N 4.296 123.626 119.600 -0.450 0.000 2.435 158 M HA 0.122 4.602 4.480 -0.000 0.000 0.338 158 M C -0.400 175.560 176.300 -0.567 0.000 1.628 158 M CA 0.217 54.956 55.300 -0.935 0.000 1.215 158 M CB -0.045 32.132 32.600 -0.706 0.000 1.905 158 M HN 0.515 nan 8.290 nan 0.000 0.457 159 N N 2.473 120.853 118.700 -0.533 0.000 2.478 159 N HA 0.497 5.236 4.740 -0.000 0.000 0.275 159 N C -0.625 174.741 175.510 -0.239 0.000 1.221 159 N CA -0.467 52.404 53.050 -0.298 0.000 0.979 159 N CB 1.376 39.742 38.487 -0.201 0.000 1.202 159 N HN 0.708 nan 8.380 nan 0.000 0.564 160 S N -1.184 114.413 115.700 -0.172 0.000 2.709 160 S HA 0.401 4.871 4.470 -0.000 0.000 0.302 160 S C 0.824 175.373 174.600 -0.084 0.000 1.127 160 S CA -0.846 57.286 58.200 -0.113 0.000 0.905 160 S CB 0.493 63.593 63.200 -0.168 0.000 1.151 160 S HN 0.525 nan 8.310 nan 0.000 0.510 161 F N 0.957 120.887 119.950 -0.033 0.000 2.307 161 F HA 0.035 4.562 4.527 -0.000 0.000 0.301 161 F C 1.366 177.182 175.800 0.026 0.000 1.076 161 F CA 1.425 59.432 58.000 0.011 0.000 1.383 161 F CB -1.215 37.814 39.000 0.049 0.000 1.055 161 F HN 0.564 nan 8.300 nan 0.000 0.526 162 N N -0.176 118.125 118.700 -0.665 0.000 2.457 162 N HA -0.053 4.687 4.740 -0.000 0.000 0.180 162 N C 1.384 176.771 175.510 -0.205 0.000 1.050 162 N CA 1.356 54.142 53.050 -0.441 0.000 0.906 162 N CB -0.014 38.153 38.487 -0.534 0.000 0.968 162 N HN 0.590 nan 8.380 nan 0.000 0.445 163 T N -3.939 110.511 114.554 -0.173 0.000 3.028 163 T HA 0.118 4.468 4.350 -0.000 0.000 0.250 163 T C 1.252 175.909 174.700 -0.071 0.000 0.979 163 T CA -0.107 61.923 62.100 -0.117 0.000 1.004 163 T CB -0.158 68.625 68.868 -0.141 0.000 1.120 163 T HN -0.171 nan 8.240 nan 0.000 0.482 164 D N 2.904 123.268 120.400 -0.060 0.000 2.154 164 D HA -0.230 4.410 4.640 -0.000 0.000 0.190 164 D C 2.065 178.364 176.300 -0.002 0.000 1.003 164 D CA 2.190 56.173 54.000 -0.028 0.000 0.849 164 D CB -0.114 40.689 40.800 0.005 0.000 0.942 164 D HN 0.719 nan 8.370 nan 0.000 0.446 165 K N -0.129 120.279 120.400 0.014 0.000 2.059 165 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 165 K C 1.480 178.086 176.600 0.010 0.000 1.050 165 K CA 1.902 58.202 56.287 0.022 0.000 0.927 165 K CB -0.298 32.221 32.500 0.032 0.000 0.714 165 K HN 0.159 nan 8.250 nan 0.000 0.447 166 D N 0.270 120.668 120.400 -0.004 0.000 2.183 166 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 166 D C 1.900 178.200 176.300 -0.000 0.000 0.962 166 D CA 1.433 55.430 54.000 -0.005 0.000 0.849 166 D CB -0.242 40.549 40.800 -0.016 0.000 0.978 166 D HN 0.329 nan 8.370 nan 0.000 0.488 167 T N 0.471 115.021 114.554 -0.007 0.000 2.777 167 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 167 T C 2.132 176.846 174.700 0.024 0.000 1.040 167 T CA 1.872 63.973 62.100 0.002 0.000 1.141 167 T CB -0.431 68.422 68.868 -0.026 0.000 0.868 167 T HN 0.388 nan 8.240 nan 0.000 0.444 168 E N 0.784 120.996 120.200 0.020 0.000 2.110 168 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 168 E C 2.013 178.633 176.600 0.033 0.000 0.988 168 E CA 2.101 58.520 56.400 0.032 0.000 0.804 168 E CB -1.786 27.931 29.700 0.030 0.000 0.745 168 E HN 0.974 nan 8.360 nan 0.000 0.458 169 H N -1.056 118.027 119.070 0.022 0.000 2.307 169 H HA 0.326 4.882 4.556 -0.000 0.000 0.303 169 H C 2.728 178.063 175.328 0.012 0.000 1.073 169 H CA 3.196 59.253 56.048 0.015 0.000 1.338 169 H CB -0.943 28.824 29.762 0.008 0.000 1.389 169 H HN 0.819 nan 8.280 nan 0.000 0.503 170 L N 1.318 122.552 121.223 0.019 0.000 2.191 170 L HA 0.180 4.520 4.340 -0.000 0.000 0.212 170 L C 3.231 180.135 176.870 0.057 0.000 1.103 170 L CA 2.653 57.505 54.840 0.020 0.000 0.769 170 L CB -2.090 39.990 42.059 0.036 0.000 0.908 170 L HN 0.989 nan 8.230 nan 0.000 0.438 171 I N -0.454 120.183 120.570 0.110 0.000 2.546 171 I HA 0.061 4.231 4.170 -0.000 0.000 0.255 171 I C 2.954 179.175 176.117 0.173 0.000 1.163 171 I CA 2.367 63.799 61.300 0.220 0.000 1.457 171 I CB -1.916 36.177 38.000 0.155 0.000 1.092 171 I HN 0.662 nan 8.210 nan 0.000 0.434 172 K N 1.100 121.537 120.400 0.062 0.000 2.281 172 K HA -0.147 4.173 4.320 -0.000 0.000 0.203 172 K C 2.438 179.022 176.600 -0.026 0.000 1.046 172 K CA 2.152 58.456 56.287 0.028 0.000 0.938 172 K CB -1.694 30.812 32.500 0.009 0.000 0.737 172 K HN 0.961 nan 8.250 nan 0.000 0.458 173 K N 0.067 120.382 120.400 -0.141 0.000 2.097 173 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 173 K C 1.931 178.362 176.600 -0.281 0.000 1.049 173 K CA 1.559 57.671 56.287 -0.291 0.000 0.933 173 K CB -0.911 31.287 32.500 -0.505 0.000 0.717 173 K HN 0.765 nan 8.250 nan 0.000 0.442 174 Y N 1.664 121.974 120.300 0.016 0.000 2.465 174 Y HA 0.247 4.797 4.550 -0.000 0.000 0.311 174 Y C 0.866 176.777 175.900 0.019 0.000 1.204 174 Y CA -0.628 57.484 58.100 0.019 0.000 1.272 174 Y CB -0.746 37.728 38.460 0.022 0.000 1.083 174 Y HN -0.014 nan 8.280 nan 0.000 0.508 175 S N 1.662 117.422 115.700 0.100 0.000 2.596 175 S HA 0.267 4.737 4.470 -0.000 0.000 0.298 175 S C 0.808 175.446 174.600 0.064 0.000 1.255 175 S CA 0.371 58.613 58.200 0.070 0.000 1.083 175 S CB -0.307 62.915 63.200 0.036 0.000 0.837 175 S HN 0.608 nan 8.310 nan 0.000 0.499 176 A N 3.551 126.410 122.820 0.065 0.000 2.632 176 A HA -0.192 4.128 4.320 -0.000 0.000 0.294 176 A C 0.224 177.854 177.584 0.077 0.000 1.447 176 A CA 0.710 52.782 52.037 0.058 0.000 0.728 176 A CB -2.106 16.919 19.000 0.041 0.000 1.102 176 A HN 0.855 nan 8.150 nan 0.000 0.422 177 N N -1.084 117.673 118.700 0.095 0.000 2.906 177 N HA 0.808 5.548 4.740 -0.000 0.000 0.327 177 N C 0.779 176.329 175.510 0.066 0.000 1.344 177 N CA -0.239 52.870 53.050 0.098 0.000 0.823 177 N CB 0.761 39.337 38.487 0.148 0.000 1.351 177 N HN 0.776 nan 8.380 nan 0.000 0.604 178 R N 0.064 120.598 120.500 0.056 0.000 3.179 178 R HA 0.624 4.964 4.340 -0.000 0.000 0.317 178 R C -0.125 176.193 176.300 0.030 0.000 1.331 178 R CA 0.341 56.465 56.100 0.040 0.000 1.184 178 R CB -1.166 29.157 30.300 0.039 0.000 1.408 178 R HN 0.472 nan 8.270 nan 0.000 0.598 179 I N -0.968 119.617 120.570 0.025 0.000 2.841 179 I HA 0.721 4.891 4.170 -0.000 0.000 0.298 179 I C -0.294 175.832 176.117 0.014 0.000 1.304 179 I CA -1.416 59.889 61.300 0.008 0.000 1.019 179 I CB 2.032 40.015 38.000 -0.029 0.000 1.282 179 I HN 0.343 nan 8.210 nan 0.000 0.432 180 R N 4.106 124.614 120.500 0.014 0.000 2.937 180 R HA 0.650 4.990 4.340 -0.000 0.000 0.264 180 R C -1.133 175.178 176.300 0.018 0.000 1.334 180 R CA -0.499 55.614 56.100 0.022 0.000 1.516 180 R CB -0.000 30.315 30.300 0.026 0.000 1.187 180 R HN 0.734 nan 8.270 nan 0.000 0.609 181 I N 2.840 123.415 120.570 0.010 0.000 2.587 181 I HA 0.075 4.245 4.170 -0.000 0.000 0.284 181 I C 0.772 176.912 176.117 0.039 0.000 1.134 181 I CA 1.099 62.402 61.300 0.006 0.000 1.410 181 I CB 1.007 38.992 38.000 -0.024 0.000 1.392 181 I HN 0.488 nan 8.210 nan 0.000 0.545 182 R N 4.621 125.150 120.500 0.049 0.000 2.483 182 R HA 0.729 5.069 4.340 -0.000 0.000 0.303 182 R C -0.408 175.960 176.300 0.115 0.000 0.987 182 R CA -0.432 55.713 56.100 0.075 0.000 0.881 182 R CB 1.153 31.495 30.300 0.070 0.000 1.177 182 R HN 0.723 nan 8.270 nan 0.000 0.451 183 S N 1.497 117.263 115.700 0.109 0.000 2.593 183 S HA 0.930 5.399 4.470 -0.000 0.000 0.297 183 S C -0.174 174.543 174.600 0.195 0.000 1.112 183 S CA -0.486 57.773 58.200 0.099 0.000 1.043 183 S CB 0.840 64.051 63.200 0.018 0.000 1.054 183 S HN 1.511 nan 8.310 nan 0.000 0.516 184 F N 0.252 120.194 119.950 -0.013 0.000 2.619 184 F HA 0.615 5.142 4.527 -0.000 0.000 0.308 184 F C -0.867 174.925 175.800 -0.013 0.000 1.097 184 F CA -1.136 56.858 58.000 -0.010 0.000 0.953 184 F CB 1.005 39.997 39.000 -0.012 0.000 1.287 184 F HN 0.574 nan 8.300 nan 0.000 0.446 185 N N 2.254 120.991 118.700 0.061 0.000 2.530 185 N HA 0.210 4.950 4.740 -0.000 0.000 0.277 185 N C -0.521 175.005 175.510 0.027 0.000 1.168 185 N CA -0.196 52.832 53.050 -0.037 0.000 0.979 185 N CB 1.478 39.989 38.487 0.039 0.000 1.141 185 N HN 0.977 nan 8.380 nan 0.000 0.459 186 Q N 0.657 120.419 119.800 -0.064 0.000 2.214 186 Q HA 0.411 4.751 4.340 -0.000 0.000 0.168 186 Q C -0.341 175.661 176.000 0.003 0.000 1.047 186 Q CA -0.654 55.146 55.803 -0.005 0.000 1.102 186 Q CB -0.004 28.688 28.738 -0.078 0.000 1.458 186 Q HN 0.338 nan 8.270 nan 0.000 0.561 187 S N -0.461 115.202 115.700 -0.061 0.000 2.610 187 S HA 0.603 5.073 4.470 -0.000 0.000 0.273 187 S C -0.155 174.368 174.600 -0.129 0.000 1.274 187 S CA -0.416 57.731 58.200 -0.088 0.000 1.023 187 S CB 0.944 64.055 63.200 -0.149 0.000 0.962 187 S HN 0.588 nan 8.310 nan 0.000 0.523 188 R N 1.672 122.068 120.500 -0.174 0.000 2.294 188 R HA 0.694 5.034 4.340 -0.000 0.000 0.319 188 R C -1.260 174.828 176.300 -0.354 0.000 0.984 188 R CA -0.376 55.450 56.100 -0.456 0.000 0.861 188 R CB -0.116 29.682 30.300 -0.836 0.000 1.104 188 R HN 0.504 nan 8.270 nan 0.000 0.451 189 F N 2.969 122.380 119.950 -0.899 0.000 2.561 189 F HA 0.694 5.221 4.527 -0.000 0.000 0.321 189 F C -2.137 173.030 175.800 -1.054 0.000 1.065 189 F CA -3.146 54.228 58.000 -1.042 0.000 0.934 189 F CB 2.987 41.366 39.000 -1.035 0.000 1.215 189 F HN 0.365 nan 8.300 nan 0.000 0.471 190 P HA 0.376 nan 4.420 nan 0.000 0.293 190 P C -0.320 177.012 177.300 0.052 0.000 1.313 190 P CA -0.334 62.628 63.100 -0.229 0.000 0.787 190 P CB 0.569 32.089 31.700 -0.301 0.000 0.910 191 R N 2.251 122.990 120.500 0.399 0.000 2.738 191 R HA 0.492 4.832 4.340 -0.000 0.000 0.268 191 R C 0.059 176.502 176.300 0.238 0.000 1.062 191 R CA -0.041 56.311 56.100 0.421 0.000 1.158 191 R CB -0.395 30.111 30.300 0.343 0.000 1.046 191 R HN 0.443 nan 8.270 nan 0.000 0.493 192 V N -1.125 118.903 119.914 0.191 0.000 3.164 192 V HA 0.826 4.946 4.120 -0.000 0.000 0.313 192 V C 0.140 176.289 176.094 0.092 0.000 1.188 192 V CA -0.570 61.822 62.300 0.153 0.000 1.058 192 V CB 1.759 33.693 31.823 0.186 0.000 1.110 192 V HN 1.081 nan 8.190 nan 0.000 0.453 193 Y N -0.862 119.486 120.300 0.079 0.000 2.342 193 Y HA 0.652 5.202 4.550 -0.000 0.000 0.334 193 Y C 1.033 176.967 175.900 0.058 0.000 1.067 193 Y CA -0.530 57.603 58.100 0.056 0.000 1.128 193 Y CB 0.702 39.189 38.460 0.046 0.000 1.200 193 Y HN 0.913 nan 8.280 nan 0.000 0.464 194 K N 0.935 121.363 120.400 0.047 0.000 2.032 194 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 194 K C 1.224 177.855 176.600 0.052 0.000 1.048 194 K CA 2.242 58.559 56.287 0.050 0.000 0.927 194 K CB -0.907 31.616 32.500 0.038 0.000 0.712 194 K HN 0.928 nan 8.250 nan 0.000 0.441 195 D N 0.574 120.998 120.400 0.041 0.000 2.092 195 D HA -0.148 4.492 4.640 -0.000 0.000 0.203 195 D C 2.126 178.450 176.300 0.040 0.000 0.978 195 D CA 2.120 56.141 54.000 0.036 0.000 0.861 195 D CB -0.917 39.899 40.800 0.026 0.000 1.005 195 D HN 0.492 nan 8.370 nan 0.000 0.450 196 S N 0.171 115.895 115.700 0.039 0.000 2.515 196 S HA 0.107 4.577 4.470 -0.000 0.000 0.231 196 S C 2.021 176.653 174.600 0.053 0.000 0.987 196 S CA 1.152 59.376 58.200 0.040 0.000 0.936 196 S CB -1.127 62.094 63.200 0.035 0.000 0.766 196 S HN 1.069 nan 8.310 nan 0.000 0.528 197 L N -1.257 120.006 121.223 0.066 0.000 3.829 197 L HA 0.139 4.479 4.340 -0.000 0.000 0.440 197 L C 0.335 177.260 176.870 0.091 0.000 1.192 197 L CA 1.259 56.151 54.840 0.087 0.000 0.848 197 L CB -2.833 39.283 42.059 0.097 0.000 1.744 197 L HN 1.305 nan 8.230 nan 0.000 0.920 198 L N -2.103 119.171 121.223 0.086 0.000 2.362 198 L HA 0.975 5.315 4.340 -0.000 0.000 0.275 198 L C -1.195 175.740 176.870 0.109 0.000 0.998 198 L CA -1.674 53.220 54.840 0.090 0.000 0.820 198 L CB 1.181 43.279 42.059 0.064 0.000 1.270 198 L HN 0.349 nan 8.230 nan 0.000 0.415 199 P HA 0.023 nan 4.420 nan 0.000 0.245 199 P C 1.462 178.818 177.300 0.094 0.000 1.123 199 P CA 0.486 63.677 63.100 0.151 0.000 0.853 199 P CB 0.311 32.106 31.700 0.158 0.000 0.786 200 V N 5.970 125.934 119.914 0.083 0.000 2.324 200 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 200 V C -0.111 175.972 176.094 -0.018 0.000 1.060 200 V CA 2.209 64.528 62.300 0.032 0.000 1.042 200 V CB -1.778 30.062 31.823 0.028 0.000 0.650 200 V HN 0.649 nan 8.190 nan 0.000 0.450 201 P HA 0.190 nan 4.420 nan 0.000 0.339 201 P C 0.332 177.600 177.300 -0.054 0.000 1.376 201 P CA 0.669 63.691 63.100 -0.130 0.000 0.797 201 P CB 0.758 32.290 31.700 -0.281 0.000 1.872 202 T N -3.413 111.108 114.554 -0.055 0.000 3.764 202 T HA 0.094 4.444 4.350 -0.000 0.000 0.300 202 T C 0.102 174.811 174.700 0.016 0.000 0.943 202 T CA -0.138 61.955 62.100 -0.012 0.000 1.151 202 T CB 0.119 68.966 68.868 -0.035 0.000 1.116 202 T HN 0.259 nan 8.240 nan 0.000 0.483 203 E N 1.266 121.448 120.200 -0.030 0.000 2.232 203 E HA 0.353 4.703 4.350 -0.000 0.000 0.264 203 E C 0.596 177.227 176.600 0.051 0.000 0.973 203 E CA -0.543 55.850 56.400 -0.012 0.000 0.849 203 E CB 1.041 30.665 29.700 -0.127 0.000 1.198 203 E HN 0.486 nan 8.360 nan 0.000 0.407 204 Y N 0.176 120.548 120.300 0.120 0.000 2.228 204 Y HA -0.186 4.364 4.550 -0.000 0.000 0.285 204 Y C 0.336 176.413 175.900 0.295 0.000 1.178 204 Y CA 1.412 59.618 58.100 0.177 0.000 1.202 204 Y CB 0.048 38.556 38.460 0.081 0.000 0.974 204 Y HN 0.281 nan 8.280 nan 0.000 0.527 205 D N 0.365 120.430 120.400 -0.558 0.000 2.337 205 D HA 0.237 4.877 4.640 -0.000 0.000 0.238 205 D C -0.844 175.176 176.300 -0.467 0.000 1.331 205 D CA -0.160 53.613 54.000 -0.378 0.000 0.967 205 D CB 0.747 41.411 40.800 -0.227 0.000 1.382 205 D HN 0.367 nan 8.370 nan 0.000 0.549 206 S N 2.110 117.559 115.700 -0.418 0.000 2.661 206 S HA 0.687 5.156 4.470 -0.000 0.000 0.265 206 S C -2.204 172.141 174.600 -0.424 0.000 1.225 206 S CA -1.099 56.885 58.200 -0.360 0.000 0.986 206 S CB 0.479 63.495 63.200 -0.306 0.000 1.008 206 S HN 0.190 nan 8.310 nan 0.000 0.565 207 P HA -0.078 nan 4.420 nan 0.000 0.264 207 P C 1.170 178.243 177.300 -0.378 0.000 1.139 207 P CA 0.971 63.907 63.100 -0.273 0.000 0.754 207 P CB -0.370 31.203 31.700 -0.211 0.000 0.737 208 L N 2.410 123.499 121.223 -0.222 0.000 2.093 208 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 208 L C 1.965 178.812 176.870 -0.038 0.000 1.085 208 L CA 2.631 57.395 54.840 -0.127 0.000 0.755 208 L CB -2.238 39.864 42.059 0.072 0.000 0.904 208 L HN 0.520 nan 8.230 nan 0.000 0.435 209 D N -0.859 119.517 120.400 -0.039 0.000 2.644 209 D HA 0.492 5.132 4.640 -0.000 0.000 0.252 209 D C 1.375 177.648 176.300 -0.044 0.000 1.254 209 D CA 0.810 54.815 54.000 0.008 0.000 0.884 209 D CB -0.393 40.404 40.800 -0.006 0.000 1.034 209 D HN 1.056 nan 8.370 nan 0.000 0.473 210 A N -1.429 121.296 122.820 -0.160 0.000 2.427 210 A HA 0.447 4.767 4.320 -0.000 0.000 0.225 210 A C 0.728 178.271 177.584 -0.068 0.000 1.257 210 A CA -0.423 51.483 52.037 -0.219 0.000 0.985 210 A CB 0.207 18.926 19.000 -0.468 0.000 1.136 210 A HN 0.551 nan 8.150 nan 0.000 0.538 211 W N -0.759 120.544 121.300 0.005 0.000 1.971 211 W HA 0.517 5.177 4.660 -0.000 0.000 0.476 211 W C 0.121 176.801 176.519 0.268 0.000 1.983 211 W CA -0.599 56.684 57.345 -0.102 0.000 2.229 211 W CB 0.330 29.369 29.460 -0.702 0.000 1.624 211 W HN 0.370 nan 8.180 nan 0.000 0.751 212 Y N -2.065 118.528 120.300 0.489 0.000 2.527 212 Y HA 0.315 4.865 4.550 -0.000 0.000 0.328 212 Y C -3.219 172.939 175.900 0.429 0.000 1.216 212 Y CA -3.194 55.196 58.100 0.484 0.000 1.152 212 Y CB -0.055 38.560 38.460 0.258 0.000 1.342 212 Y HN -0.001 nan 8.280 nan 0.000 0.465 213 P HA 0.302 nan 4.420 nan 0.000 0.280 213 P C -2.580 174.833 177.300 0.190 0.000 1.244 213 P CA -1.917 61.303 63.100 0.201 0.000 0.784 213 P CB 1.381 33.149 31.700 0.114 0.000 0.913 214 P HA 0.124 nan 4.420 nan 0.000 0.259 214 P C 0.687 177.984 177.300 -0.005 0.000 1.480 214 P CA 0.637 63.702 63.100 -0.059 0.000 0.842 214 P CB -0.583 30.657 31.700 -0.767 0.000 1.513 215 G N 1.311 110.134 108.800 0.038 0.000 2.757 215 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.638 215 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.638 215 G C 0.330 175.221 174.900 -0.014 0.000 1.344 215 G CA -0.234 44.877 45.100 0.019 0.000 0.855 215 G HN 0.468 nan 8.290 nan 0.000 0.537 216 H N 0.166 119.200 119.070 -0.060 0.000 2.533 216 H HA 0.256 4.812 4.556 -0.000 0.000 0.271 216 H C 1.945 177.206 175.328 -0.111 0.000 1.000 216 H CA 1.223 57.209 56.048 -0.104 0.000 1.149 216 H CB -0.242 29.454 29.762 -0.111 0.000 1.375 216 H HN 0.896 nan 8.280 nan 0.000 0.582 217 G N 1.247 109.872 108.800 -0.291 0.000 2.494 217 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 217 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 217 G C 1.234 176.110 174.900 -0.040 0.000 1.140 217 G CA 0.507 45.528 45.100 -0.132 0.000 0.801 217 G HN 0.458 nan 8.290 nan 0.000 0.536 218 D N 0.067 120.419 120.400 -0.081 0.000 2.392 218 D HA -0.059 4.581 4.640 -0.000 0.000 0.228 218 D C 2.174 178.435 176.300 -0.065 0.000 1.003 218 D CA 0.162 54.116 54.000 -0.077 0.000 0.917 218 D CB -0.094 40.587 40.800 -0.198 0.000 0.890 218 D HN 0.193 nan 8.370 nan 0.000 0.532 219 L N -0.242 120.882 121.223 -0.164 0.000 1.963 219 L HA -0.208 4.132 4.340 -0.000 0.000 0.220 219 L C 1.695 178.484 176.870 -0.137 0.000 1.076 219 L CA 1.911 56.618 54.840 -0.222 0.000 0.772 219 L CB -0.952 40.815 42.059 -0.486 0.000 0.892 219 L HN 0.035 nan 8.230 nan 0.000 0.435 220 F N 0.585 120.579 119.950 0.072 0.000 2.065 220 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 220 F C 2.880 178.708 175.800 0.046 0.000 1.112 220 F CA 2.127 60.165 58.000 0.064 0.000 1.212 220 F CB -1.725 37.319 39.000 0.073 0.000 0.975 220 F HN 0.307 nan 8.300 nan 0.000 0.476 221 E N 0.655 120.992 120.200 0.228 0.000 2.012 221 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 221 E C 2.173 178.835 176.600 0.103 0.000 1.007 221 E CA 2.149 58.635 56.400 0.144 0.000 0.816 221 E CB -1.479 28.300 29.700 0.131 0.000 0.762 221 E HN 0.478 nan 8.360 nan 0.000 0.451 222 S N 0.198 115.959 115.700 0.103 0.000 2.474 222 S HA 0.004 4.474 4.470 -0.000 0.000 0.235 222 S C 2.024 176.693 174.600 0.116 0.000 0.997 222 S CA 1.184 59.459 58.200 0.125 0.000 0.949 222 S CB -0.152 63.138 63.200 0.150 0.000 0.766 222 S HN 0.411 nan 8.310 nan 0.000 0.517 223 L N 2.343 123.603 121.223 0.062 0.000 2.093 223 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 223 L C 2.699 179.456 176.870 -0.189 0.000 1.085 223 L CA 2.393 57.116 54.840 -0.194 0.000 0.755 223 L CB -1.259 40.757 42.059 -0.072 0.000 0.904 223 L HN 0.618 nan 8.230 nan 0.000 0.435 224 H N -3.120 115.925 119.070 -0.042 0.000 2.547 224 H HA 0.287 4.843 4.556 -0.000 0.000 0.272 224 H C 2.100 177.415 175.328 -0.021 0.000 0.971 224 H CA 1.105 57.136 56.048 -0.028 0.000 1.245 224 H CB -0.523 29.251 29.762 0.020 0.000 1.440 224 H HN 0.222 nan 8.280 nan 0.000 0.540 225 V N 1.542 121.457 119.914 0.001 0.000 2.548 225 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 225 V C 2.878 178.971 176.094 -0.001 0.000 1.055 225 V CA 2.076 64.384 62.300 0.013 0.000 1.065 225 V CB -0.073 31.775 31.823 0.042 0.000 0.681 225 V HN 0.869 nan 8.190 nan 0.000 0.462 226 S N 0.284 115.968 115.700 -0.026 0.000 2.428 226 S HA 0.082 4.552 4.470 -0.000 0.000 0.230 226 S C 1.736 176.288 174.600 -0.081 0.000 1.014 226 S CA 1.078 59.251 58.200 -0.044 0.000 0.957 226 S CB 0.065 63.202 63.200 -0.104 0.000 0.784 226 S HN 1.267 nan 8.310 nan 0.000 0.499 227 G N -0.045 108.691 108.800 -0.106 0.000 2.132 227 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.228 227 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.228 227 G C 0.575 175.399 174.900 -0.126 0.000 1.000 227 G CA 1.059 46.106 45.100 -0.087 0.000 0.693 227 G HN 0.976 nan 8.290 nan 0.000 0.515 228 E N -1.116 118.943 120.200 -0.235 0.000 2.208 228 E HA 0.418 4.768 4.350 -0.000 0.000 0.193 228 E C 3.157 179.654 176.600 -0.171 0.000 0.988 228 E CA 2.178 58.420 56.400 -0.263 0.000 0.828 228 E CB -0.719 28.658 29.700 -0.539 0.000 0.763 228 E HN 1.986 nan 8.360 nan 0.000 0.478 229 L N 1.240 122.379 121.223 -0.140 0.000 1.955 229 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 229 L C 2.462 179.311 176.870 -0.034 0.000 1.072 229 L CA 2.923 57.728 54.840 -0.058 0.000 0.755 229 L CB -1.511 40.535 42.059 -0.020 0.000 0.888 229 L HN 0.458 nan 8.230 nan 0.000 0.432 230 D N -0.408 119.972 120.400 -0.034 0.000 2.156 230 D HA -0.220 4.420 4.640 -0.000 0.000 0.190 230 D C 2.433 178.720 176.300 -0.023 0.000 0.998 230 D CA 2.158 56.145 54.000 -0.021 0.000 0.842 230 D CB -0.459 40.328 40.800 -0.022 0.000 0.974 230 D HN 0.619 nan 8.370 nan 0.000 0.447 231 A N 0.986 123.786 122.820 -0.035 0.000 1.971 231 A HA -0.224 4.096 4.320 -0.000 0.000 0.222 231 A C 2.664 180.236 177.584 -0.020 0.000 1.182 231 A CA 3.214 55.234 52.037 -0.028 0.000 0.649 231 A CB -1.242 17.735 19.000 -0.038 0.000 0.818 231 A HN 0.312 nan 8.150 nan 0.000 0.458 232 L N -0.754 120.453 121.223 -0.027 0.000 2.072 232 L HA 0.203 4.542 4.340 -0.000 0.000 0.205 232 L C 3.094 179.966 176.870 0.004 0.000 1.079 232 L CA 2.526 57.360 54.840 -0.011 0.000 0.752 232 L CB -2.139 39.910 42.059 -0.016 0.000 0.906 232 L HN 0.806 nan 8.230 nan 0.000 0.436 233 I N -0.606 119.967 120.570 0.004 0.000 2.163 233 I HA 0.058 4.228 4.170 -0.000 0.000 0.243 233 I C 2.943 179.066 176.117 0.010 0.000 1.085 233 I CA 2.715 64.023 61.300 0.013 0.000 1.347 233 I CB -1.673 36.336 38.000 0.014 0.000 1.044 233 I HN 0.701 nan 8.210 nan 0.000 0.408 234 A N -1.277 121.545 122.820 0.003 0.000 1.930 234 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 234 A C 2.260 179.847 177.584 0.005 0.000 1.175 234 A CA 1.579 53.618 52.037 0.003 0.000 0.627 234 A CB -0.751 18.249 19.000 -0.001 0.000 0.815 234 A HN 0.781 nan 8.150 nan 0.000 0.443 235 Q N -0.887 118.916 119.800 0.004 0.000 2.541 235 Q HA 0.073 4.413 4.340 -0.000 0.000 0.215 235 Q C 0.934 176.941 176.000 0.012 0.000 0.977 235 Q CA 0.816 56.623 55.803 0.007 0.000 0.934 235 Q CB -0.299 28.443 28.738 0.007 0.000 0.988 235 Q HN 0.944 nan 8.270 nan 0.000 0.521 236 G N 0.888 109.695 108.800 0.013 0.000 2.131 236 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.201 236 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.201 236 G C -0.387 174.525 174.900 0.021 0.000 1.000 236 G CA -0.240 44.869 45.100 0.015 0.000 0.680 236 G HN 0.157 nan 8.290 nan 0.000 0.514 237 R N -0.626 119.888 120.500 0.024 0.000 2.589 237 R HA 0.706 5.046 4.340 -0.000 0.000 0.293 237 R C 0.621 176.946 176.300 0.042 0.000 0.963 237 R CA 0.219 56.339 56.100 0.034 0.000 0.905 237 R CB 1.511 31.832 30.300 0.034 0.000 1.144 237 R HN 0.508 nan 8.270 nan 0.000 0.459 238 E N 2.044 122.277 120.200 0.055 0.000 2.541 238 E HA 0.257 4.607 4.350 -0.000 0.000 0.219 238 E C 0.446 177.100 176.600 0.088 0.000 0.922 238 E CA 0.327 56.766 56.400 0.065 0.000 1.095 238 E CB 0.458 30.192 29.700 0.058 0.000 1.112 238 E HN 0.588 nan 8.360 nan 0.000 0.516 239 I N 0.073 120.704 120.570 0.102 0.000 2.607 239 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 239 I C -0.559 175.638 176.117 0.133 0.000 1.129 239 I CA -0.889 60.491 61.300 0.134 0.000 1.042 239 I CB 2.420 40.537 38.000 0.194 0.000 1.242 239 I HN -0.030 nan 8.210 nan 0.000 0.421 240 L N 4.961 126.240 121.223 0.093 0.000 2.305 240 L HA 0.385 4.725 4.340 -0.000 0.000 0.281 240 L C -0.759 176.127 176.870 0.026 0.000 1.085 240 L CA -0.456 54.410 54.840 0.044 0.000 0.813 240 L CB 1.250 43.298 42.059 -0.018 0.000 1.157 240 L HN 0.523 nan 8.230 nan 0.000 0.436 241 F N 5.249 125.072 119.950 -0.212 0.000 2.350 241 F HA 0.448 4.974 4.527 -0.000 0.000 0.365 241 F C -0.545 174.994 175.800 -0.436 0.000 1.122 241 F CA -0.684 56.974 58.000 -0.571 0.000 1.139 241 F CB 0.810 39.276 39.000 -0.890 0.000 1.220 241 F HN 0.008 nan 8.300 nan 0.000 0.499 242 V N 5.797 125.142 119.914 -0.948 0.000 2.394 242 V HA 0.627 4.747 4.120 -0.000 0.000 0.282 242 V C -0.309 175.224 176.094 -0.934 0.000 1.031 242 V CA -0.335 61.515 62.300 -0.750 0.000 0.881 242 V CB 1.047 32.620 31.823 -0.417 0.000 0.982 242 V HN 0.890 nan 8.190 nan 0.000 0.451 243 S N 3.190 118.448 115.700 -0.737 0.000 2.588 243 S HA 0.564 5.034 4.470 -0.000 0.000 0.275 243 S C -0.718 173.690 174.600 -0.321 0.000 1.130 243 S CA -1.104 56.784 58.200 -0.519 0.000 0.855 243 S CB 1.565 64.451 63.200 -0.523 0.000 1.116 243 S HN 0.536 nan 8.310 nan 0.000 0.472 244 N N 0.538 119.095 118.700 -0.237 0.000 2.344 244 N HA 0.179 4.919 4.740 -0.000 0.000 0.236 244 N C 1.546 176.926 175.510 -0.217 0.000 1.279 244 N CA 0.686 53.600 53.050 -0.226 0.000 0.882 244 N CB 0.215 38.596 38.487 -0.177 0.000 1.110 244 N HN 0.925 nan 8.380 nan 0.000 0.436 245 G N 0.240 108.883 108.800 -0.262 0.000 2.408 245 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 245 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 245 G C 0.529 175.198 174.900 -0.385 0.000 1.150 245 G CA 0.814 45.734 45.100 -0.300 0.000 0.776 245 G HN 0.715 nan 8.290 nan 0.000 0.542 246 D N -0.449 119.693 120.400 -0.430 0.000 2.336 246 D HA 0.052 4.692 4.640 -0.000 0.000 0.228 246 D C 0.399 176.661 176.300 -0.064 0.000 1.120 246 D CA -0.575 53.166 54.000 -0.432 0.000 0.839 246 D CB -0.199 40.335 40.800 -0.443 0.000 0.932 246 D HN 0.083 nan 8.370 nan 0.000 0.509 247 N N 1.144 119.805 118.700 -0.065 0.000 2.457 247 N HA 0.167 4.907 4.740 -0.000 0.000 0.250 247 N C 0.483 175.998 175.510 0.008 0.000 0.982 247 N CA -0.368 52.648 53.050 -0.057 0.000 0.941 247 N CB 1.095 39.555 38.487 -0.044 0.000 1.120 247 N HN 0.084 nan 8.380 nan 0.000 0.505 248 L N 1.981 123.194 121.223 -0.017 0.000 2.446 248 L HA 0.223 4.563 4.340 -0.000 0.000 0.219 248 L C 2.072 178.929 176.870 -0.021 0.000 1.116 248 L CA 0.451 55.276 54.840 -0.026 0.000 0.844 248 L CB 0.077 42.063 42.059 -0.121 0.000 0.970 248 L HN 0.552 nan 8.230 nan 0.000 0.457 249 G N 0.060 108.850 108.800 -0.017 0.000 2.511 249 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.217 249 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.217 249 G C 1.051 176.008 174.900 0.095 0.000 1.133 249 G CA 0.403 45.523 45.100 0.034 0.000 0.792 249 G HN 0.346 nan 8.290 nan 0.000 0.539 250 A N 1.739 124.635 122.820 0.127 0.000 3.052 250 A HA 0.486 4.806 4.320 -0.000 0.000 0.266 250 A C 1.214 178.960 177.584 0.270 0.000 1.855 250 A CA 0.490 52.676 52.037 0.250 0.000 1.473 250 A CB -1.186 17.959 19.000 0.241 0.000 1.038 250 A HN 0.409 nan 8.150 nan 0.000 0.619 251 T N -1.521 113.115 114.554 0.138 0.000 2.732 251 T HA 0.377 4.727 4.350 -0.000 0.000 0.287 251 T C 0.155 174.758 174.700 -0.162 0.000 0.993 251 T CA -0.484 61.647 62.100 0.051 0.000 0.966 251 T CB 0.636 69.546 68.868 0.069 0.000 1.047 251 T HN 0.241 nan 8.240 nan 0.000 0.527 252 V N 2.582 122.385 119.914 -0.185 0.000 2.427 252 V HA 0.225 4.345 4.120 -0.000 0.000 0.268 252 V C 0.427 176.511 176.094 -0.018 0.000 1.046 252 V CA -0.322 61.804 62.300 -0.290 0.000 0.970 252 V CB 0.704 32.435 31.823 -0.153 0.000 1.001 252 V HN 0.911 nan 8.190 nan 0.000 0.476 253 D N 4.882 125.352 120.400 0.116 0.000 2.428 253 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 253 D C 1.019 177.326 176.300 0.012 0.000 1.123 253 D CA -0.159 53.913 54.000 0.119 0.000 0.869 253 D CB 1.365 42.277 40.800 0.186 0.000 1.032 253 D HN 0.411 nan 8.370 nan 0.000 0.506 254 L N 3.505 124.722 121.223 -0.009 0.000 2.012 254 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 254 L C 2.852 179.651 176.870 -0.118 0.000 1.073 254 L CA 1.979 56.772 54.840 -0.079 0.000 0.748 254 L CB -0.482 41.523 42.059 -0.091 0.000 0.891 254 L HN 0.418 nan 8.230 nan 0.000 0.431 255 K N 0.304 120.655 120.400 -0.082 0.000 2.218 255 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 255 K C 1.665 178.176 176.600 -0.149 0.000 1.046 255 K CA 2.001 58.228 56.287 -0.099 0.000 0.933 255 K CB -1.048 31.397 32.500 -0.092 0.000 0.728 255 K HN 0.404 nan 8.250 nan 0.000 0.454 256 I N -0.504 119.923 120.570 -0.240 0.000 2.235 256 I HA -0.105 4.065 4.170 -0.000 0.000 0.241 256 I C 2.466 178.234 176.117 -0.582 0.000 1.085 256 I CA 0.754 61.783 61.300 -0.452 0.000 1.378 256 I CB -0.146 37.446 38.000 -0.680 0.000 1.076 256 I HN 0.286 nan 8.210 nan 0.000 0.415 257 L N 1.483 122.300 121.223 -0.677 0.000 2.129 257 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 257 L C 1.895 178.649 176.870 -0.194 0.000 1.087 257 L CA 2.089 56.686 54.840 -0.406 0.000 0.757 257 L CB -0.978 40.978 42.059 -0.172 0.000 0.896 257 L HN 0.288 nan 8.230 nan 0.000 0.434 258 N N -1.952 116.653 118.700 -0.158 0.000 2.148 258 N HA -0.246 4.494 4.740 -0.000 0.000 0.186 258 N C 2.213 177.685 175.510 -0.063 0.000 1.031 258 N CA 1.019 54.014 53.050 -0.092 0.000 0.848 258 N CB -0.346 38.095 38.487 -0.077 0.000 1.005 258 N HN 0.533 nan 8.380 nan 0.000 0.427 259 H N 0.507 119.490 119.070 -0.145 0.000 2.321 259 H HA -0.181 4.374 4.556 -0.000 0.000 0.295 259 H C 1.980 177.272 175.328 -0.060 0.000 1.102 259 H CA 1.769 57.758 56.048 -0.099 0.000 1.266 259 H CB -0.278 29.421 29.762 -0.105 0.000 1.363 259 H HN 0.341 nan 8.280 nan 0.000 0.492 260 M N -0.001 119.594 119.600 -0.007 0.000 2.213 260 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 260 M C 2.422 178.704 176.300 -0.031 0.000 1.062 260 M CA 1.272 56.570 55.300 -0.003 0.000 1.105 260 M CB -0.119 32.445 32.600 -0.060 0.000 1.385 260 M HN 0.333 nan 8.290 nan 0.000 0.417 261 I N -0.109 120.427 120.570 -0.057 0.000 2.852 261 I HA -0.110 4.060 4.170 -0.000 0.000 0.264 261 I C 2.425 178.509 176.117 -0.055 0.000 1.179 261 I CA 1.130 62.408 61.300 -0.037 0.000 1.480 261 I CB -0.096 37.887 38.000 -0.029 0.000 1.111 261 I HN 0.302 nan 8.210 nan 0.000 0.441 262 E N 0.061 120.206 120.200 -0.093 0.000 2.051 262 E HA -0.198 4.152 4.350 -0.000 0.000 0.189 262 E C 1.984 178.507 176.600 -0.128 0.000 0.979 262 E CA 1.420 57.759 56.400 -0.102 0.000 0.803 262 E CB -1.392 28.242 29.700 -0.110 0.000 0.761 262 E HN 0.588 nan 8.360 nan 0.000 0.451 263 T N -2.595 111.833 114.554 -0.210 0.000 3.215 263 T HA 0.346 4.696 4.350 -0.000 0.000 0.254 263 T C 1.732 176.368 174.700 -0.107 0.000 1.149 263 T CA 0.810 62.782 62.100 -0.213 0.000 1.042 263 T CB -0.613 68.022 68.868 -0.388 0.000 0.966 263 T HN 1.351 nan 8.240 nan 0.000 0.534 264 G N 1.460 110.222 108.800 -0.062 0.000 2.416 264 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.301 264 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.301 264 G C 0.321 175.247 174.900 0.044 0.000 0.985 264 G CA 0.051 45.148 45.100 -0.004 0.000 0.934 264 G HN 1.214 nan 8.290 nan 0.000 0.513 265 A N -0.933 121.933 122.820 0.076 0.000 2.386 265 A HA 0.611 4.931 4.320 -0.000 0.000 0.248 265 A C 1.036 178.734 177.584 0.189 0.000 1.082 265 A CA 0.582 52.723 52.037 0.173 0.000 0.789 265 A CB 0.411 19.601 19.000 0.317 0.000 1.025 265 A HN 0.528 nan 8.150 nan 0.000 0.490 266 E N -0.706 119.645 120.200 0.253 0.000 2.481 266 E HA 0.167 4.517 4.350 -0.000 0.000 0.198 266 E C -1.212 175.538 176.600 0.250 0.000 1.027 266 E CA 0.421 57.003 56.400 0.304 0.000 0.900 266 E CB 0.448 30.413 29.700 0.441 0.000 0.993 266 E HN 0.624 nan 8.360 nan 0.000 0.482 267 Y N 0.195 120.523 120.300 0.046 0.000 2.376 267 Y HA 0.336 4.886 4.550 -0.000 0.000 0.321 267 Y C -1.708 174.181 175.900 -0.018 0.000 1.189 267 Y CA -0.832 57.191 58.100 -0.128 0.000 1.069 267 Y CB 1.161 39.344 38.460 -0.461 0.000 1.292 267 Y HN -0.186 nan 8.280 nan 0.000 0.430 268 I N 7.246 128.046 120.570 0.383 0.000 2.447 268 I HA 0.386 4.556 4.170 -0.000 0.000 0.287 268 I C -0.858 175.499 176.117 0.400 0.000 1.023 268 I CA -0.735 60.710 61.300 0.241 0.000 1.083 268 I CB 2.027 40.063 38.000 0.059 0.000 1.245 268 I HN 0.632 nan 8.210 nan 0.000 0.434 269 M N 6.246 125.999 119.600 0.256 0.000 2.238 269 M HA 0.382 4.862 4.480 -0.000 0.000 0.350 269 M C -0.675 175.709 176.300 0.141 0.000 1.138 269 M CA -0.357 55.082 55.300 0.231 0.000 1.040 269 M CB 1.257 33.941 32.600 0.139 0.000 1.639 269 M HN 0.463 nan 8.290 nan 0.000 0.451 270 E N 5.148 125.441 120.200 0.155 0.000 2.200 270 E HA 0.435 4.785 4.350 -0.000 0.000 0.283 270 E C -1.305 175.263 176.600 -0.054 0.000 1.015 270 E CA -0.301 56.154 56.400 0.091 0.000 0.819 270 E CB 1.278 31.084 29.700 0.176 0.000 1.081 270 E HN 0.616 nan 8.360 nan 0.000 0.397 271 L N 2.204 123.370 121.223 -0.095 0.000 2.346 271 L HA 0.522 4.862 4.340 -0.000 0.000 0.274 271 L C 0.094 176.802 176.870 -0.271 0.000 1.007 271 L CA -0.680 54.032 54.840 -0.212 0.000 0.818 271 L CB 2.101 44.093 42.059 -0.112 0.000 1.284 271 L HN 0.457 nan 8.230 nan 0.000 0.424 272 T N -0.227 114.028 114.554 -0.499 0.000 2.916 272 T HA 0.295 4.645 4.350 -0.000 0.000 0.292 272 T C -0.975 173.553 174.700 -0.287 0.000 1.055 272 T CA -0.561 61.312 62.100 -0.378 0.000 1.009 272 T CB 1.486 70.129 68.868 -0.375 0.000 1.118 272 T HN 0.547 nan 8.240 nan 0.000 0.497 273 D N 2.626 122.983 120.400 -0.071 0.000 2.450 273 D HA 0.392 5.032 4.640 -0.000 0.000 0.247 273 D C 0.281 176.702 176.300 0.203 0.000 1.162 273 D CA 0.464 54.499 54.000 0.057 0.000 0.879 273 D CB 0.447 41.283 40.800 0.059 0.000 1.163 273 D HN 0.612 nan 8.370 nan 0.000 0.472 274 K N 1.872 122.444 120.400 0.286 0.000 2.383 274 K HA 0.371 4.690 4.320 -0.000 0.000 0.286 274 K C 0.544 177.234 176.600 0.151 0.000 1.051 274 K CA -0.628 55.851 56.287 0.321 0.000 0.974 274 K CB -0.334 32.285 32.500 0.200 0.000 0.968 274 K HN 0.577 nan 8.250 nan 0.000 0.475 275 T N -1.456 113.178 114.554 0.132 0.000 2.874 275 T HA 0.486 4.836 4.350 -0.000 0.000 0.281 275 T C 1.842 176.552 174.700 0.018 0.000 0.994 275 T CA 0.231 62.376 62.100 0.076 0.000 1.015 275 T CB 1.311 70.234 68.868 0.091 0.000 1.028 275 T HN 0.923 nan 8.240 nan 0.000 0.523 276 R N 0.677 121.188 120.500 0.019 0.000 2.174 276 R HA 0.019 4.359 4.340 -0.000 0.000 0.253 276 R C 1.910 178.194 176.300 -0.026 0.000 1.165 276 R CA 2.045 58.145 56.100 0.000 0.000 0.984 276 R CB -1.850 28.458 30.300 0.013 0.000 0.873 276 R HN 1.236 nan 8.270 nan 0.000 0.456 277 A N -0.154 122.649 122.820 -0.027 0.000 3.264 277 A HA 0.484 4.804 4.320 -0.000 0.000 0.299 277 A C -0.026 177.500 177.584 -0.097 0.000 1.272 277 A CA -0.036 51.972 52.037 -0.049 0.000 1.030 277 A CB 0.302 19.285 19.000 -0.027 0.000 1.102 277 A HN 0.428 nan 8.150 nan 0.000 0.615 278 D N -0.956 119.341 120.400 -0.171 0.000 2.410 278 D HA 0.001 4.641 4.640 -0.000 0.000 0.275 278 D C 2.130 178.186 176.300 -0.406 0.000 1.152 278 D CA 1.175 54.948 54.000 -0.378 0.000 0.825 278 D CB 0.485 40.958 40.800 -0.545 0.000 1.312 278 D HN 0.310 nan 8.370 nan 0.000 0.532 279 V N 1.104 120.867 119.914 -0.252 0.000 2.243 279 V HA -0.401 3.719 4.120 -0.000 0.000 0.258 279 V C 2.488 178.419 176.094 -0.270 0.000 1.073 279 V CA 3.500 65.654 62.300 -0.242 0.000 1.069 279 V CB -1.814 29.916 31.823 -0.155 0.000 0.681 279 V HN 0.251 nan 8.190 nan 0.000 0.457 280 K N 1.681 121.971 120.400 -0.184 0.000 2.160 280 K HA 0.095 4.415 4.320 -0.000 0.000 0.206 280 K C 1.549 178.096 176.600 -0.090 0.000 1.047 280 K CA 1.516 57.740 56.287 -0.105 0.000 0.930 280 K CB -1.884 30.578 32.500 -0.063 0.000 0.720 280 K HN 1.392 nan 8.250 nan 0.000 0.450 281 G N 0.130 108.815 108.800 -0.192 0.000 2.562 281 G HA2 0.409 4.369 3.960 -0.000 0.000 0.233 281 G HA3 0.409 4.369 3.960 -0.000 0.000 0.233 281 G C 0.616 175.511 174.900 -0.007 0.000 1.266 281 G CA -0.005 45.014 45.100 -0.136 0.000 0.852 281 G HN 0.785 nan 8.290 nan 0.000 0.581 282 G N -0.965 107.923 108.800 0.146 0.000 2.477 282 G HA2 0.558 4.518 3.960 -0.000 0.000 0.304 282 G HA3 0.558 4.518 3.960 -0.000 0.000 0.304 282 G C -0.328 174.734 174.900 0.270 0.000 1.175 282 G CA 0.066 45.326 45.100 0.267 0.000 0.907 282 G HN 0.784 nan 8.290 nan 0.000 0.509 283 T N -2.028 112.726 114.554 0.332 0.000 2.838 283 T HA 0.644 4.994 4.350 -0.000 0.000 0.292 283 T C -0.353 174.485 174.700 0.228 0.000 1.113 283 T CA 0.016 62.283 62.100 0.279 0.000 1.008 283 T CB 0.818 69.893 68.868 0.345 0.000 1.259 283 T HN 1.178 nan 8.240 nan 0.000 0.520 284 L N 3.285 124.612 121.223 0.173 0.000 2.312 284 L HA 0.930 5.270 4.340 -0.000 0.000 0.281 284 L C 0.234 177.189 176.870 0.142 0.000 1.070 284 L CA -0.809 54.103 54.840 0.120 0.000 0.805 284 L CB -0.408 41.694 42.059 0.071 0.000 1.174 284 L HN 0.869 nan 8.230 nan 0.000 0.434 285 I N -0.085 120.551 120.570 0.110 0.000 3.294 285 I HA 0.861 5.031 4.170 -0.000 0.000 0.311 285 I C 0.057 176.217 176.117 0.073 0.000 1.111 285 I CA -0.939 60.419 61.300 0.097 0.000 0.976 285 I CB 2.061 40.119 38.000 0.097 0.000 1.260 285 I HN 0.552 nan 8.210 nan 0.000 0.474 286 S N 1.433 117.171 115.700 0.063 0.000 2.498 286 S HA 0.516 4.985 4.470 -0.000 0.000 0.324 286 S C -1.550 173.121 174.600 0.117 0.000 1.071 286 S CA -0.267 57.972 58.200 0.066 0.000 1.113 286 S CB 0.047 63.262 63.200 0.025 0.000 0.976 286 S HN 0.538 nan 8.310 nan 0.000 0.462 287 Y N 3.284 123.558 120.300 -0.043 0.000 2.327 287 Y HA 0.406 4.956 4.550 -0.000 0.000 0.325 287 Y C 0.335 176.206 175.900 -0.047 0.000 0.999 287 Y CA 0.241 58.309 58.100 -0.053 0.000 1.195 287 Y CB 1.036 39.465 38.460 -0.052 0.000 1.132 287 Y HN 0.860 nan 8.280 nan 0.000 0.455 288 D N 2.529 122.707 120.400 -0.369 0.000 2.772 288 D HA -0.060 4.580 4.640 -0.000 0.000 0.233 288 D C 1.268 177.488 176.300 -0.133 0.000 1.143 288 D CA 1.411 55.236 54.000 -0.291 0.000 0.700 288 D CB -2.010 38.576 40.800 -0.358 0.000 1.076 288 D HN 2.127 nan 8.370 nan 0.000 0.430 289 G N -4.123 104.627 108.800 -0.083 0.000 2.148 289 G HA2 0.399 4.359 3.960 -0.000 0.000 0.254 289 G HA3 0.399 4.359 3.960 -0.000 0.000 0.254 289 G C 0.392 175.279 174.900 -0.020 0.000 0.981 289 G CA 1.795 46.868 45.100 -0.045 0.000 0.670 289 G HN 2.359 nan 8.290 nan 0.000 0.528 290 Q N -1.703 118.095 119.800 -0.005 0.000 2.387 290 Q HA 1.010 5.350 4.340 -0.000 0.000 0.273 290 Q C -0.074 175.952 176.000 0.044 0.000 1.089 290 Q CA 0.006 55.817 55.803 0.014 0.000 0.824 290 Q CB 1.869 30.605 28.738 -0.002 0.000 1.367 290 Q HN 2.061 nan 8.270 nan 0.000 0.443 291 V N -0.056 119.883 119.914 0.042 0.000 2.406 291 V HA 0.954 5.074 4.120 -0.000 0.000 0.272 291 V C 0.282 176.394 176.094 0.031 0.000 1.043 291 V CA 0.115 62.443 62.300 0.047 0.000 0.915 291 V CB 0.459 32.313 31.823 0.052 0.000 0.988 291 V HN 1.485 nan 8.190 nan 0.000 0.466 292 R N 3.794 124.317 120.500 0.038 0.000 2.836 292 R HA 0.892 5.232 4.340 -0.000 0.000 0.269 292 R C -1.084 175.228 176.300 0.019 0.000 1.010 292 R CA -0.392 55.721 56.100 0.022 0.000 0.930 292 R CB 1.401 31.719 30.300 0.031 0.000 1.218 292 R HN 1.679 nan 8.270 nan 0.000 0.473 293 L N 1.483 122.717 121.223 0.018 0.000 2.259 293 L HA 0.752 5.092 4.340 -0.000 0.000 0.288 293 L C -0.036 176.843 176.870 0.015 0.000 1.051 293 L CA -0.447 54.416 54.840 0.039 0.000 0.824 293 L CB 0.781 42.871 42.059 0.052 0.000 1.206 293 L HN 0.947 nan 8.230 nan 0.000 0.429 294 L N 4.353 125.584 121.223 0.013 0.000 2.260 294 L HA 0.648 4.988 4.340 -0.000 0.000 0.289 294 L C 0.329 177.171 176.870 -0.046 0.000 1.057 294 L CA -0.534 54.239 54.840 -0.112 0.000 0.811 294 L CB 0.134 42.034 42.059 -0.265 0.000 1.184 294 L HN 0.675 nan 8.230 nan 0.000 0.429 295 E N 2.150 122.309 120.200 -0.069 0.000 2.250 295 E HA 0.454 4.804 4.350 -0.000 0.000 0.265 295 E C 1.540 178.090 176.600 -0.084 0.000 1.033 295 E CA 0.167 56.583 56.400 0.027 0.000 0.888 295 E CB 2.147 31.873 29.700 0.045 0.000 1.151 295 E HN 0.582 nan 8.360 nan 0.000 0.412 296 V N -0.404 119.564 119.914 0.090 0.000 2.324 296 V HA -0.277 3.843 4.120 -0.000 0.000 0.250 296 V C 2.102 178.183 176.094 -0.022 0.000 1.060 296 V CA 2.242 64.576 62.300 0.057 0.000 1.042 296 V CB -1.378 30.532 31.823 0.144 0.000 0.650 296 V HN 0.731 nan 8.190 nan 0.000 0.450 297 A N -0.304 122.514 122.820 -0.003 0.000 2.032 297 A HA -0.244 4.075 4.320 -0.000 0.000 0.221 297 A C 2.034 179.599 177.584 -0.030 0.000 1.165 297 A CA 2.177 54.211 52.037 -0.005 0.000 0.645 297 A CB -0.554 18.454 19.000 0.014 0.000 0.807 297 A HN 0.654 nan 8.150 nan 0.000 0.453 298 Q N -0.874 118.882 119.800 -0.073 0.000 2.220 298 Q HA 0.288 4.628 4.340 -0.000 0.000 0.205 298 Q C -0.629 175.292 176.000 -0.132 0.000 0.865 298 Q CA 0.038 55.784 55.803 -0.095 0.000 0.960 298 Q CB 0.809 29.481 28.738 -0.109 0.000 1.097 298 Q HN 0.382 nan 8.270 nan 0.000 0.493 299 V N 2.441 122.275 119.914 -0.135 0.000 2.427 299 V HA 0.409 4.529 4.120 -0.000 0.000 0.286 299 V C -2.141 173.944 176.094 -0.016 0.000 1.034 299 V CA -2.239 60.009 62.300 -0.087 0.000 0.893 299 V CB 1.213 32.941 31.823 -0.158 0.000 0.982 299 V HN 0.088 nan 8.190 nan 0.000 0.452 300 P HA 0.234 nan 4.420 nan 0.000 0.271 300 P C 0.655 177.955 177.300 -0.001 0.000 1.218 300 P CA -0.210 62.910 63.100 0.035 0.000 0.780 300 P CB 0.793 32.549 31.700 0.094 0.000 0.901 301 K N 2.262 122.649 120.400 -0.022 0.000 2.281 301 K HA -0.187 4.133 4.320 -0.000 0.000 0.203 301 K C 1.585 178.119 176.600 -0.110 0.000 1.046 301 K CA 1.913 58.169 56.287 -0.051 0.000 0.938 301 K CB -1.296 31.180 32.500 -0.040 0.000 0.737 301 K HN 0.555 nan 8.250 nan 0.000 0.458 302 E N -0.600 119.507 120.200 -0.156 0.000 2.478 302 E HA -0.028 4.322 4.350 -0.000 0.000 0.198 302 E C 1.126 177.350 176.600 -0.627 0.000 1.046 302 E CA 0.738 56.929 56.400 -0.348 0.000 0.870 302 E CB 0.172 29.645 29.700 -0.377 0.000 0.818 302 E HN 0.781 nan 8.360 nan 0.000 0.527 303 H N -1.896 116.981 119.070 -0.322 0.000 3.680 303 H HA 0.240 4.796 4.556 -0.000 0.000 0.260 303 H C 1.581 176.669 175.328 -0.400 0.000 1.183 303 H CA -0.106 55.596 56.048 -0.577 0.000 1.159 303 H CB 0.522 29.611 29.762 -1.122 0.000 1.567 303 H HN 0.092 nan 8.280 nan 0.000 0.648 304 I N 1.864 122.376 120.570 -0.097 0.000 2.113 304 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 304 I C 2.594 178.737 176.117 0.043 0.000 1.057 304 I CA 2.241 63.546 61.300 0.009 0.000 1.314 304 I CB -0.619 37.388 38.000 0.011 0.000 1.022 304 I HN 0.349 nan 8.210 nan 0.000 0.408 305 D N 0.531 120.922 120.400 -0.015 0.000 2.158 305 D HA -0.247 4.393 4.640 -0.000 0.000 0.197 305 D C 1.929 178.262 176.300 0.055 0.000 0.995 305 D CA 1.847 55.850 54.000 0.005 0.000 0.846 305 D CB -0.652 40.135 40.800 -0.022 0.000 0.941 305 D HN 0.584 nan 8.370 nan 0.000 0.456 306 E N -1.154 119.088 120.200 0.069 0.000 2.058 306 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 306 E C 1.852 178.675 176.600 0.371 0.000 0.997 306 E CA 1.093 57.632 56.400 0.232 0.000 0.801 306 E CB -0.285 29.564 29.700 0.250 0.000 0.746 306 E HN 0.600 nan 8.360 nan 0.000 0.450 307 F N 1.747 121.743 119.950 0.077 0.000 2.069 307 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 307 F C 2.400 178.031 175.800 -0.283 0.000 1.113 307 F CA 2.236 60.046 58.000 -0.317 0.000 1.214 307 F CB -0.684 38.172 39.000 -0.241 0.000 0.978 307 F HN -0.055 nan 8.300 nan 0.000 0.474 308 K N 0.288 120.592 120.400 -0.160 0.000 2.442 308 K HA -0.100 4.220 4.320 -0.000 0.000 0.198 308 K C 0.937 177.475 176.600 -0.103 0.000 1.042 308 K CA 1.037 57.196 56.287 -0.213 0.000 0.958 308 K CB -1.501 30.949 32.500 -0.084 0.000 0.766 308 K HN 0.412 nan 8.250 nan 0.000 0.474 309 N N 1.482 120.193 118.700 0.019 0.000 2.400 309 N HA 0.021 4.761 4.740 -0.000 0.000 0.267 309 N C 0.884 176.476 175.510 0.138 0.000 1.208 309 N CA -0.331 52.779 53.050 0.100 0.000 0.951 309 N CB 0.169 38.761 38.487 0.176 0.000 1.227 309 N HN 0.381 nan 8.380 nan 0.000 0.488 310 I N 1.678 122.290 120.570 0.070 0.000 2.623 310 I HA -0.122 4.047 4.170 -0.000 0.000 0.261 310 I C 1.857 178.037 176.117 0.104 0.000 1.204 310 I CA 1.227 62.574 61.300 0.079 0.000 1.444 310 I CB -0.229 37.797 38.000 0.044 0.000 1.094 310 I HN 0.271 nan 8.210 nan 0.000 0.451 311 R N 1.307 121.870 120.500 0.105 0.000 2.297 311 R HA 0.210 4.550 4.340 -0.000 0.000 0.197 311 R C 1.873 178.216 176.300 0.072 0.000 0.943 311 R CA 1.294 57.441 56.100 0.079 0.000 1.038 311 R CB -0.208 30.134 30.300 0.070 0.000 0.957 311 R HN 0.506 nan 8.270 nan 0.000 0.484 312 K N -1.026 119.451 120.400 0.127 0.000 2.402 312 K HA 0.264 4.584 4.320 -0.000 0.000 0.203 312 K C -0.169 176.269 176.600 -0.271 0.000 1.077 312 K CA 0.249 56.549 56.287 0.022 0.000 1.051 312 K CB 0.168 32.798 32.500 0.217 0.000 0.907 312 K HN 0.144 nan 8.250 nan 0.000 0.554 313 F N 0.626 120.596 119.950 0.035 0.000 2.794 313 F HA 0.323 4.850 4.527 -0.000 0.000 0.353 313 F C 1.692 177.500 175.800 0.013 0.000 1.371 313 F CA -0.268 57.742 58.000 0.018 0.000 1.173 313 F CB 1.313 40.281 39.000 -0.052 0.000 1.693 313 F HN 0.158 nan 8.300 nan 0.000 0.606 314 T N -1.004 113.606 114.554 0.093 0.000 2.946 314 T HA -0.097 4.253 4.350 -0.000 0.000 0.271 314 T C 0.930 175.696 174.700 0.109 0.000 1.104 314 T CA 1.408 63.557 62.100 0.083 0.000 1.114 314 T CB -0.374 68.517 68.868 0.040 0.000 0.867 314 T HN 0.251 nan 8.240 nan 0.000 0.513 315 N N -0.303 118.479 118.700 0.137 0.000 2.653 315 N HA 0.740 5.480 4.740 -0.000 0.000 0.294 315 N C -0.831 174.820 175.510 0.236 0.000 1.305 315 N CA -0.678 52.442 53.050 0.118 0.000 0.827 315 N CB 1.640 40.154 38.487 0.045 0.000 1.415 315 N HN 0.472 nan 8.380 nan 0.000 0.546 316 F N -2.260 117.666 119.950 -0.040 0.000 2.741 316 F HA 0.415 4.942 4.527 -0.000 0.000 0.311 316 F C -0.966 174.770 175.800 -0.107 0.000 1.149 316 F CA -1.309 56.655 58.000 -0.061 0.000 0.930 316 F CB 0.950 39.891 39.000 -0.099 0.000 1.312 316 F HN 0.282 nan 8.300 nan 0.000 0.450 317 N N 0.944 119.664 118.700 0.034 0.000 2.452 317 N HA 0.187 4.927 4.740 -0.000 0.000 0.266 317 N C 0.650 176.016 175.510 -0.239 0.000 1.175 317 N CA 0.640 53.649 53.050 -0.068 0.000 0.945 317 N CB 1.285 39.822 38.487 0.083 0.000 1.063 317 N HN 0.872 nan 8.380 nan 0.000 0.472 318 T N 0.668 115.006 114.554 -0.361 0.000 3.107 318 T HA 0.081 4.431 4.350 -0.000 0.000 0.249 318 T C 0.733 175.402 174.700 -0.052 0.000 1.096 318 T CA -0.077 61.764 62.100 -0.433 0.000 1.012 318 T CB -0.492 68.153 68.868 -0.373 0.000 0.977 318 T HN 0.652 nan 8.240 nan 0.000 0.527 319 N N 1.223 119.915 118.700 -0.014 0.000 2.678 319 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 319 N C -1.204 174.265 175.510 -0.068 0.000 1.136 319 N CA 0.636 53.690 53.050 0.008 0.000 0.757 319 N CB -1.651 36.839 38.487 0.004 0.000 1.135 319 N HN 0.478 nan 8.380 nan 0.000 0.565 320 N N 0.873 119.543 118.700 -0.050 0.000 2.448 320 N HA 0.242 4.982 4.740 -0.000 0.000 0.250 320 N C -0.502 174.951 175.510 -0.095 0.000 1.136 320 N CA 0.215 53.188 53.050 -0.128 0.000 0.953 320 N CB 0.226 38.761 38.487 0.079 0.000 1.251 320 N HN 0.315 nan 8.380 nan 0.000 0.502 321 L N 1.270 122.322 121.223 -0.285 0.000 2.346 321 L HA 0.576 4.916 4.340 -0.000 0.000 0.276 321 L C -0.658 176.036 176.870 -0.294 0.000 1.006 321 L CA -1.022 53.736 54.840 -0.136 0.000 0.817 321 L CB 1.291 43.270 42.059 -0.133 0.000 1.272 321 L HN 0.267 nan 8.230 nan 0.000 0.421 322 W N 4.431 125.698 121.300 -0.054 0.000 2.294 322 W HA 0.624 5.284 4.660 -0.000 0.000 0.314 322 W C -0.483 175.886 176.519 -0.249 0.000 1.044 322 W CA -0.266 57.058 57.345 -0.034 0.000 1.284 322 W CB 0.765 30.277 29.460 0.087 0.000 1.231 322 W HN 0.192 nan 8.180 nan 0.000 0.419 323 I N 3.811 124.308 120.570 -0.121 0.000 2.382 323 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 323 I C 0.451 176.559 176.117 -0.014 0.000 1.002 323 I CA -0.989 60.135 61.300 -0.293 0.000 1.135 323 I CB 1.058 38.829 38.000 -0.381 0.000 1.288 323 I HN 0.386 nan 8.210 nan 0.000 0.448 324 N N 6.715 125.451 118.700 0.060 0.000 2.417 324 N HA 0.004 4.744 4.740 -0.000 0.000 0.272 324 N C 0.924 176.546 175.510 0.188 0.000 1.304 324 N CA 0.206 53.349 53.050 0.156 0.000 0.906 324 N CB 0.828 39.439 38.487 0.207 0.000 1.135 324 N HN 0.633 nan 8.380 nan 0.000 0.483 325 L N 4.551 125.857 121.223 0.138 0.000 2.012 325 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 325 L C 2.875 179.816 176.870 0.119 0.000 1.073 325 L CA 2.188 57.104 54.840 0.127 0.000 0.748 325 L CB -0.642 41.467 42.059 0.084 0.000 0.891 325 L HN 0.648 nan 8.230 nan 0.000 0.431 326 K N 0.252 120.712 120.400 0.099 0.000 2.059 326 K HA -0.197 4.123 4.320 -0.000 0.000 0.212 326 K C 2.165 178.811 176.600 0.076 0.000 1.050 326 K CA 1.872 58.204 56.287 0.075 0.000 0.927 326 K CB -1.565 30.974 32.500 0.065 0.000 0.714 326 K HN 0.483 nan 8.250 nan 0.000 0.447 327 A N 0.484 123.378 122.820 0.124 0.000 2.019 327 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 327 A C 2.587 180.180 177.584 0.014 0.000 1.164 327 A CA 1.703 53.797 52.037 0.096 0.000 0.644 327 A CB -0.447 18.707 19.000 0.257 0.000 0.805 327 A HN 0.346 nan 8.150 nan 0.000 0.449 328 V N 0.199 120.188 119.914 0.126 0.000 2.270 328 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 328 V C 3.145 179.239 176.094 -0.000 0.000 1.043 328 V CA 2.640 64.984 62.300 0.074 0.000 1.014 328 V CB -1.326 30.630 31.823 0.222 0.000 0.645 328 V HN 0.737 nan 8.190 nan 0.000 0.447 329 K N 0.198 120.615 120.400 0.027 0.000 1.987 329 K HA -0.281 4.039 4.320 -0.000 0.000 0.216 329 K C 2.216 178.802 176.600 -0.025 0.000 1.051 329 K CA 2.235 58.526 56.287 0.007 0.000 0.942 329 K CB -1.014 31.495 32.500 0.015 0.000 0.722 329 K HN 0.471 nan 8.250 nan 0.000 0.444 330 R N -0.437 120.043 120.500 -0.033 0.000 2.136 330 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 330 R C 2.543 178.791 176.300 -0.086 0.000 1.131 330 R CA 2.233 58.301 56.100 -0.053 0.000 0.937 330 R CB -0.667 29.599 30.300 -0.057 0.000 0.863 330 R HN 0.472 nan 8.270 nan 0.000 0.435 331 L N -0.465 120.669 121.223 -0.149 0.000 2.313 331 L HA -0.065 4.275 4.340 -0.000 0.000 0.214 331 L C 2.732 179.512 176.870 -0.150 0.000 1.119 331 L CA 0.681 55.405 54.840 -0.194 0.000 0.809 331 L CB -0.281 41.557 42.059 -0.367 0.000 0.933 331 L HN 0.292 nan 8.230 nan 0.000 0.449 332 I N -0.236 120.267 120.570 -0.111 0.000 2.277 332 I HA -0.076 4.094 4.170 -0.000 0.000 0.243 332 I C 2.760 178.857 176.117 -0.033 0.000 1.094 332 I CA 1.959 63.223 61.300 -0.059 0.000 1.393 332 I CB -1.456 36.536 38.000 -0.012 0.000 1.078 332 I HN 0.334 nan 8.210 nan 0.000 0.417 333 E N 0.674 120.857 120.200 -0.029 0.000 2.268 333 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 333 E C 1.987 178.574 176.600 -0.023 0.000 0.995 333 E CA 1.300 57.689 56.400 -0.019 0.000 0.836 333 E CB -0.868 28.823 29.700 -0.015 0.000 0.763 333 E HN 1.330 nan 8.360 nan 0.000 0.491 334 S N 0.765 116.444 115.700 -0.036 0.000 2.526 334 S HA 0.260 4.730 4.470 -0.000 0.000 0.247 334 S C 0.693 175.271 174.600 -0.036 0.000 1.076 334 S CA 0.453 58.633 58.200 -0.033 0.000 1.105 334 S CB -0.980 62.197 63.200 -0.039 0.000 0.793 334 S HN 0.837 nan 8.310 nan 0.000 0.458 335 S N 1.327 117.007 115.700 -0.032 0.000 4.120 335 S HA -0.185 4.285 4.470 -0.000 0.000 0.435 335 S C 0.542 175.120 174.600 -0.037 0.000 0.694 335 S CA 0.687 58.867 58.200 -0.034 0.000 1.628 335 S CB -0.879 62.314 63.200 -0.012 0.000 1.391 335 S HN 0.760 nan 8.310 nan 0.000 0.490 336 N N 2.280 120.939 118.700 -0.067 0.000 2.218 336 N HA 0.173 4.913 4.740 -0.000 0.000 0.224 336 N C 0.779 176.207 175.510 -0.137 0.000 1.248 336 N CA 0.645 53.669 53.050 -0.044 0.000 0.875 336 N CB -0.026 38.451 38.487 -0.016 0.000 1.165 336 N HN 0.848 nan 8.380 nan 0.000 0.485 337 L N 1.561 122.635 121.223 -0.249 0.000 2.827 337 L HA 0.306 4.646 4.340 -0.000 0.000 0.280 337 L C 0.220 176.878 176.870 -0.353 0.000 1.122 337 L CA 0.676 55.258 54.840 -0.429 0.000 1.044 337 L CB -1.597 40.239 42.059 -0.372 0.000 1.402 337 L HN 0.336 nan 8.230 nan 0.000 0.467 338 E N 4.031 123.886 120.200 -0.575 0.000 2.255 338 E HA 0.684 5.034 4.350 -0.000 0.000 0.256 338 E C -0.928 175.619 176.600 -0.088 0.000 0.887 338 E CA -0.558 55.727 56.400 -0.192 0.000 0.782 338 E CB 1.125 30.826 29.700 0.001 0.000 1.214 338 E HN 0.827 nan 8.360 nan 0.000 0.417 339 M N 2.148 121.750 119.600 0.004 0.000 2.644 339 M HA 0.366 4.846 4.480 -0.000 0.000 0.316 339 M C -0.374 175.975 176.300 0.080 0.000 1.200 339 M CA -0.985 54.356 55.300 0.070 0.000 0.944 339 M CB 1.704 34.351 32.600 0.078 0.000 1.691 339 M HN 0.323 nan 8.290 nan 0.000 0.471 340 E N 1.678 121.926 120.200 0.080 0.000 2.413 340 E HA 0.130 4.480 4.350 -0.000 0.000 0.263 340 E C -0.803 175.840 176.600 0.071 0.000 1.015 340 E CA 0.199 56.641 56.400 0.070 0.000 0.916 340 E CB 0.398 30.129 29.700 0.051 0.000 0.947 340 E HN 0.310 nan 8.360 nan 0.000 0.440 341 I N 3.976 124.600 120.570 0.090 0.000 2.352 341 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 341 I C 0.076 176.247 176.117 0.090 0.000 1.036 341 I CA -0.222 61.140 61.300 0.105 0.000 1.336 341 I CB -0.035 38.066 38.000 0.169 0.000 1.407 341 I HN 0.390 nan 8.210 nan 0.000 0.497 342 I N 8.703 129.307 120.570 0.056 0.000 2.297 342 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 342 I C -1.994 174.128 176.117 0.008 0.000 1.033 342 I CA -1.498 59.824 61.300 0.038 0.000 1.253 342 I CB 0.979 38.992 38.000 0.022 0.000 1.396 342 I HN 0.342 nan 8.210 nan 0.000 0.476 343 P HA 0.164 nan 4.420 nan 0.000 0.209 343 P C -0.038 177.233 177.300 -0.048 0.000 1.843 343 P CA -0.139 62.932 63.100 -0.048 0.000 0.985 343 P CB -0.344 31.395 31.700 0.065 0.000 1.904 344 N N 0.205 118.864 118.700 -0.068 0.000 2.454 344 N HA 0.406 5.145 4.740 -0.000 0.000 0.254 344 N C 0.279 175.739 175.510 -0.083 0.000 1.228 344 N CA 0.170 53.184 53.050 -0.060 0.000 0.900 344 N CB -0.353 38.099 38.487 -0.058 0.000 1.089 344 N HN 0.448 nan 8.380 nan 0.000 0.449 345 Q N -0.875 118.898 119.800 -0.046 0.000 2.340 345 Q HA 0.786 5.126 4.340 -0.000 0.000 0.268 345 Q C -0.205 175.780 176.000 -0.025 0.000 1.031 345 Q CA -0.463 55.318 55.803 -0.037 0.000 0.804 345 Q CB 0.799 29.531 28.738 -0.011 0.000 1.286 345 Q HN 1.536 nan 8.270 nan 0.000 0.448 346 K N 0.581 120.968 120.400 -0.021 0.000 2.523 346 K HA 0.802 5.122 4.320 -0.000 0.000 0.257 346 K C -0.396 176.205 176.600 0.002 0.000 0.932 346 K CA -0.320 55.962 56.287 -0.008 0.000 0.812 346 K CB 1.317 33.813 32.500 -0.007 0.000 1.326 346 K HN 0.819 nan 8.250 nan 0.000 0.433 347 T N 1.221 115.777 114.554 0.003 0.000 2.728 347 T HA 0.703 5.052 4.350 -0.000 0.000 0.296 347 T C 0.330 175.032 174.700 0.005 0.000 0.940 347 T CA 0.431 62.534 62.100 0.005 0.000 1.013 347 T CB -0.163 68.707 68.868 0.003 0.000 0.912 347 T HN 1.319 nan 8.240 nan 0.000 0.484 357 V N -1.525 118.397 119.914 0.013 0.000 3.182 357 V HA 1.083 5.203 4.120 -0.000 0.000 0.308 357 V C -0.131 175.964 176.094 0.002 0.000 1.240 357 V CA -0.465 61.846 62.300 0.018 0.000 1.063 357 V CB 1.088 32.926 31.823 0.024 0.000 1.076 357 V HN 2.400 nan 8.190 nan 0.000 0.446 358 L N 1.108 122.330 121.223 -0.002 0.000 2.409 358 L HA 0.935 5.275 4.340 -0.000 0.000 0.272 358 L C -0.471 176.324 176.870 -0.125 0.000 0.980 358 L CA -0.800 54.008 54.840 -0.054 0.000 0.826 358 L CB 1.098 43.133 42.059 -0.040 0.000 1.268 358 L HN 0.828 nan 8.230 nan 0.000 0.407 359 Q N 2.905 122.545 119.800 -0.266 0.000 2.341 359 Q HA 0.788 5.128 4.340 -0.000 0.000 0.268 359 Q C -0.408 175.326 176.000 -0.444 0.000 1.013 359 Q CA -0.537 54.884 55.803 -0.638 0.000 0.798 359 Q CB 2.152 30.444 28.738 -0.744 0.000 1.253 359 Q HN 1.071 nan 8.270 nan 0.000 0.457 360 L N 2.252 123.320 121.223 -0.259 0.000 2.260 360 L HA 0.601 4.941 4.340 -0.000 0.000 0.289 360 L C 0.065 177.027 176.870 0.154 0.000 1.057 360 L CA -0.264 54.561 54.840 -0.026 0.000 0.811 360 L CB 0.202 42.285 42.059 0.040 0.000 1.184 360 L HN 0.779 nan 8.230 nan 0.000 0.429 361 E N 1.736 121.974 120.200 0.064 0.000 2.416 361 E HA 0.858 5.207 4.350 -0.000 0.000 0.273 361 E C -0.578 176.047 176.600 0.042 0.000 0.935 361 E CA -0.306 56.147 56.400 0.088 0.000 0.784 361 E CB 1.969 31.702 29.700 0.054 0.000 1.301 361 E HN 0.641 nan 8.360 nan 0.000 0.454 362 T N -2.069 112.488 114.554 0.005 0.000 2.887 362 T HA 0.804 5.154 4.350 -0.000 0.000 0.292 362 T C -0.632 173.970 174.700 -0.164 0.000 1.087 362 T CA -0.947 61.137 62.100 -0.027 0.000 1.009 362 T CB 1.673 70.553 68.868 0.021 0.000 1.203 362 T HN 0.721 nan 8.240 nan 0.000 0.518 363 A N -0.563 122.150 122.820 -0.178 0.000 2.342 363 A HA 0.707 5.027 4.320 -0.000 0.000 0.323 363 A C 1.817 179.283 177.584 -0.197 0.000 1.125 363 A CA -0.455 51.325 52.037 -0.428 0.000 0.785 363 A CB -0.048 18.812 19.000 -0.234 0.000 1.221 363 A HN 1.486 nan 8.150 nan 0.000 0.463 364 C N 1.657 120.792 119.300 -0.275 0.000 2.403 364 C HA 0.093 4.553 4.460 -0.000 0.000 0.277 364 C C 2.467 177.637 174.990 0.300 0.000 1.248 364 C CA 2.329 61.387 59.018 0.067 0.000 1.762 364 C CB -1.395 26.378 27.740 0.054 0.000 2.014 364 C HN 1.030 nan 8.230 nan 0.000 0.486 365 G N -0.044 108.896 108.800 0.233 0.000 2.408 365 G HA2 0.160 4.120 3.960 -0.000 0.000 0.217 365 G HA3 0.160 4.120 3.960 -0.000 0.000 0.217 365 G C 2.051 177.047 174.900 0.161 0.000 1.150 365 G CA 1.394 46.646 45.100 0.254 0.000 0.776 365 G HN 0.956 nan 8.290 nan 0.000 0.542 366 A N 1.320 124.226 122.820 0.143 0.000 1.986 366 A HA 0.171 4.491 4.320 -0.000 0.000 0.220 366 A C 2.727 180.418 177.584 0.178 0.000 1.171 366 A CA 2.164 54.275 52.037 0.123 0.000 0.640 366 A CB -0.720 18.343 19.000 0.105 0.000 0.811 366 A HN 0.884 nan 8.150 nan 0.000 0.451 367 A N -0.378 122.597 122.820 0.259 0.000 2.186 367 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 367 A C 1.950 179.791 177.584 0.428 0.000 1.159 367 A CA 1.214 53.454 52.037 0.339 0.000 0.680 367 A CB -0.731 18.508 19.000 0.399 0.000 0.787 367 A HN 0.687 nan 8.150 nan 0.000 0.467 368 I N 0.651 121.216 120.570 -0.008 0.000 2.145 368 I HA -0.418 3.752 4.170 -0.000 0.000 0.244 368 I C 2.726 178.874 176.117 0.051 0.000 1.075 368 I CA 2.233 63.252 61.300 -0.469 0.000 1.332 368 I CB -0.147 37.385 38.000 -0.779 0.000 1.033 368 I HN 0.569 nan 8.210 nan 0.000 0.410 369 R N 0.033 120.598 120.500 0.108 0.000 2.117 369 R HA -0.223 4.117 4.340 -0.000 0.000 0.243 369 R C 1.391 177.715 176.300 0.038 0.000 1.143 369 R CA 1.850 57.969 56.100 0.033 0.000 0.968 369 R CB -1.429 28.817 30.300 -0.089 0.000 0.863 369 R HN 0.577 nan 8.270 nan 0.000 0.444 370 H N -0.221 118.932 119.070 0.138 0.000 2.682 370 H HA 0.133 4.689 4.556 -0.000 0.000 0.293 370 H C -0.584 174.665 175.328 -0.132 0.000 1.080 370 H CA 0.206 56.250 56.048 -0.006 0.000 1.189 370 H CB -0.400 29.297 29.762 -0.109 0.000 1.311 370 H HN 0.087 nan 8.280 nan 0.000 0.599 371 F N 0.746 120.765 119.950 0.115 0.000 2.556 371 F HA 0.179 4.706 4.527 -0.000 0.000 0.314 371 F C 0.170 176.028 175.800 0.098 0.000 1.106 371 F CA -1.247 56.832 58.000 0.131 0.000 0.911 371 F CB 1.555 40.693 39.000 0.230 0.000 1.190 371 F HN -0.079 nan 8.300 nan 0.000 0.448 372 D N 1.689 122.228 120.400 0.232 0.000 2.383 372 D HA 0.345 4.985 4.640 -0.000 0.000 0.252 372 D C 1.128 177.536 176.300 0.181 0.000 1.166 372 D CA 1.169 55.260 54.000 0.151 0.000 0.879 372 D CB 1.247 42.103 40.800 0.093 0.000 1.164 372 D HN 0.875 nan 8.370 nan 0.000 0.462 373 G N 1.855 110.736 108.800 0.135 0.000 2.168 373 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.263 373 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.263 373 G C 0.583 175.620 174.900 0.229 0.000 0.977 373 G CA 0.300 45.474 45.100 0.123 0.000 0.659 373 G HN 0.858 nan 8.290 nan 0.000 0.533 374 A N 1.459 124.437 122.820 0.264 0.000 2.548 374 A HA 0.545 4.864 4.320 -0.000 0.000 0.247 374 A C 0.724 178.480 177.584 0.287 0.000 1.067 374 A CA 1.114 53.322 52.037 0.285 0.000 0.757 374 A CB -0.074 19.056 19.000 0.216 0.000 0.996 374 A HN 1.718 nan 8.150 nan 0.000 0.504 375 H N 0.293 119.424 119.070 0.101 0.000 2.960 375 H HA 0.730 5.286 4.556 -0.000 0.000 0.323 375 H C -0.179 175.207 175.328 0.097 0.000 1.326 375 H CA -0.436 55.661 56.048 0.083 0.000 1.124 375 H CB 0.991 30.810 29.762 0.094 0.000 1.853 375 H HN 0.772 nan 8.280 nan 0.000 0.536 376 G N -0.402 108.403 108.800 0.008 0.000 2.434 376 G HA2 0.497 4.457 3.960 -0.000 0.000 0.330 376 G HA3 0.497 4.457 3.960 -0.000 0.000 0.330 376 G C -1.187 173.692 174.900 -0.036 0.000 1.155 376 G CA -0.506 44.570 45.100 -0.039 0.000 0.917 376 G HN 0.560 nan 8.290 nan 0.000 0.493 377 V N 1.846 121.740 119.914 -0.034 0.000 2.612 377 V HA 0.492 4.612 4.120 -0.000 0.000 0.301 377 V C -0.297 175.807 176.094 0.017 0.000 1.059 377 V CA -0.621 61.671 62.300 -0.012 0.000 0.886 377 V CB 1.618 33.397 31.823 -0.074 0.000 1.007 377 V HN 0.620 nan 8.190 nan 0.000 0.426 378 V N 7.113 127.046 119.914 0.031 0.000 2.924 378 V HA 0.568 4.688 4.120 -0.000 0.000 0.305 378 V C 0.024 176.122 176.094 0.006 0.000 1.073 378 V CA 0.739 63.044 62.300 0.007 0.000 1.098 378 V CB 1.643 33.478 31.823 0.021 0.000 1.000 378 V HN 1.054 nan 8.190 nan 0.000 0.484 379 V N 2.056 121.903 119.914 -0.112 0.000 3.120 379 V HA 0.655 4.775 4.120 -0.000 0.000 0.303 379 V C -3.005 172.943 176.094 -0.243 0.000 1.238 379 V CA -2.142 59.976 62.300 -0.303 0.000 1.008 379 V CB 1.954 33.654 31.823 -0.204 0.000 1.064 379 V HN 0.682 nan 8.190 nan 0.000 0.434 380 P HA 0.511 nan 4.420 nan 0.000 0.279 380 P C 0.440 177.710 177.300 -0.049 0.000 1.252 380 P CA -0.645 62.375 63.100 -0.134 0.000 0.811 380 P CB 0.981 32.606 31.700 -0.125 0.000 1.035 381 R N 0.532 121.047 120.500 0.026 0.000 2.211 381 R HA -0.162 4.178 4.340 -0.000 0.000 0.240 381 R C 2.057 178.424 176.300 0.111 0.000 1.144 381 R CA 1.578 57.748 56.100 0.117 0.000 0.992 381 R CB -0.783 29.610 30.300 0.155 0.000 0.869 381 R HN 0.568 nan 8.270 nan 0.000 0.462 382 S N 1.177 116.914 115.700 0.062 0.000 2.429 382 S HA -0.243 4.227 4.470 -0.000 0.000 0.251 382 S C 1.665 176.312 174.600 0.078 0.000 1.104 382 S CA 2.144 60.382 58.200 0.063 0.000 1.130 382 S CB -0.125 63.087 63.200 0.018 0.000 1.000 382 S HN 0.571 nan 8.310 nan 0.000 0.449 383 R N -1.007 119.540 120.500 0.078 0.000 2.468 383 R HA 0.247 4.587 4.340 -0.000 0.000 0.280 383 R C -0.354 176.064 176.300 0.196 0.000 0.963 383 R CA -0.251 55.917 56.100 0.113 0.000 1.083 383 R CB -0.352 30.013 30.300 0.109 0.000 1.200 383 R HN 0.459 nan 8.270 nan 0.000 0.541 384 F N 1.927 121.880 119.950 0.004 0.000 2.310 384 F HA 0.369 4.896 4.527 -0.000 0.000 0.365 384 F C -0.998 174.821 175.800 0.032 0.000 1.080 384 F CA -1.998 56.008 58.000 0.010 0.000 1.187 384 F CB 1.034 40.026 39.000 -0.013 0.000 1.465 384 F HN -0.041 nan 8.300 nan 0.000 0.496 385 L N 8.596 129.654 121.223 -0.274 0.000 2.502 385 L HA 0.539 4.879 4.340 -0.000 0.000 0.247 385 L C -2.574 174.076 176.870 -0.367 0.000 1.180 385 L CA -2.242 52.421 54.840 -0.296 0.000 0.956 385 L CB 0.403 42.356 42.059 -0.176 0.000 1.282 385 L HN 0.188 nan 8.230 nan 0.000 0.470 386 P HA 0.239 nan 4.420 nan 0.000 0.288 386 P C -0.871 176.313 177.300 -0.195 0.000 1.267 386 P CA -0.251 62.612 63.100 -0.394 0.000 0.815 386 P CB 1.881 33.242 31.700 -0.565 0.000 0.989 387 V N 4.606 124.484 119.914 -0.060 0.000 2.235 387 V HA 0.163 4.282 4.120 -0.000 0.000 0.266 387 V C 1.222 177.314 176.094 -0.003 0.000 1.055 387 V CA -0.329 61.975 62.300 0.007 0.000 0.844 387 V CB 0.500 32.423 31.823 0.167 0.000 1.097 387 V HN 0.462 nan 8.190 nan 0.000 0.453 388 K N 1.130 121.498 120.400 -0.053 0.000 2.305 388 K HA 0.197 4.517 4.320 -0.000 0.000 0.199 388 K C 0.490 177.062 176.600 -0.047 0.000 1.047 388 K CA 0.529 56.783 56.287 -0.055 0.000 0.976 388 K CB 0.411 32.883 32.500 -0.046 0.000 0.765 388 K HN 0.579 nan 8.250 nan 0.000 0.474 389 T N -0.581 113.941 114.554 -0.053 0.000 3.012 389 T HA 0.108 4.458 4.350 -0.000 0.000 0.330 389 T C 0.668 175.307 174.700 -0.102 0.000 1.321 389 T CA -0.791 61.275 62.100 -0.057 0.000 1.067 389 T CB 1.586 70.427 68.868 -0.044 0.000 1.235 389 T HN -0.011 nan 8.240 nan 0.000 0.479 390 C N 1.120 120.347 119.300 -0.122 0.000 2.403 390 C HA -0.102 4.358 4.460 -0.000 0.000 0.279 390 C C 3.009 177.860 174.990 -0.232 0.000 1.269 390 C CA 1.504 60.346 59.018 -0.293 0.000 1.774 390 C CB -0.926 26.669 27.740 -0.242 0.000 1.993 390 C HN 1.036 nan 8.230 nan 0.000 0.496 391 S N 0.650 116.313 115.700 -0.062 0.000 2.374 391 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 391 S C 1.570 176.132 174.600 -0.064 0.000 1.037 391 S CA 1.919 60.099 58.200 -0.034 0.000 1.024 391 S CB -0.424 62.751 63.200 -0.041 0.000 0.861 391 S HN 0.585 nan 8.310 nan 0.000 0.456 392 D N 0.848 121.194 120.400 -0.091 0.000 2.218 392 D HA -0.047 4.593 4.640 -0.000 0.000 0.204 392 D C 1.851 178.061 176.300 -0.150 0.000 0.976 392 D CA 0.634 54.571 54.000 -0.104 0.000 0.853 392 D CB -0.246 40.493 40.800 -0.103 0.000 0.939 392 D HN 0.390 nan 8.370 nan 0.000 0.481 393 L N 0.628 121.712 121.223 -0.232 0.000 2.275 393 L HA -0.068 4.271 4.340 -0.000 0.000 0.215 393 L C 2.325 179.069 176.870 -0.210 0.000 1.119 393 L CA 0.335 54.985 54.840 -0.316 0.000 0.790 393 L CB -0.002 41.719 42.059 -0.563 0.000 0.919 393 L HN 0.089 nan 8.230 nan 0.000 0.443 394 L N -1.049 120.127 121.223 -0.079 0.000 2.127 394 L HA -0.157 4.183 4.340 -0.000 0.000 0.203 394 L C 2.392 179.311 176.870 0.081 0.000 1.080 394 L CA 0.811 55.744 54.840 0.155 0.000 0.768 394 L CB 0.006 42.238 42.059 0.288 0.000 0.924 394 L HN 0.170 nan 8.230 nan 0.000 0.444 395 L N 0.146 121.390 121.223 0.036 0.000 1.956 395 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 395 L C 2.582 179.492 176.870 0.067 0.000 1.073 395 L CA 2.386 57.268 54.840 0.070 0.000 0.762 395 L CB -0.363 41.725 42.059 0.049 0.000 0.889 395 L HN 0.412 nan 8.230 nan 0.000 0.433 396 V N -3.083 116.756 119.914 -0.125 0.000 3.241 396 V HA -0.168 3.952 4.120 -0.000 0.000 0.269 396 V C 1.940 177.952 176.094 -0.137 0.000 1.151 396 V CA 1.345 63.456 62.300 -0.315 0.000 1.158 396 V CB -0.741 30.812 31.823 -0.449 0.000 0.764 396 V HN 0.410 nan 8.190 nan 0.000 0.508 397 K N 1.367 121.751 120.400 -0.027 0.000 2.361 397 K HA 0.205 4.525 4.320 -0.000 0.000 0.194 397 K C 1.230 177.876 176.600 0.075 0.000 1.032 397 K CA 0.672 56.969 56.287 0.017 0.000 1.048 397 K CB 0.374 32.904 32.500 0.050 0.000 0.842 397 K HN 0.745 nan 8.250 nan 0.000 0.526 398 S N 1.332 117.102 115.700 0.117 0.000 2.655 398 S HA 0.010 4.480 4.470 -0.000 0.000 0.265 398 S C 0.880 175.549 174.600 0.114 0.000 1.240 398 S CA -0.412 57.857 58.200 0.115 0.000 0.986 398 S CB 0.891 64.163 63.200 0.119 0.000 0.985 398 S HN 0.188 nan 8.310 nan 0.000 0.562 399 D N -0.279 120.160 120.400 0.065 0.000 2.378 399 D HA -0.093 4.547 4.640 -0.000 0.000 0.222 399 D C 1.441 177.736 176.300 -0.008 0.000 0.980 399 D CA 0.228 54.245 54.000 0.029 0.000 0.907 399 D CB -0.458 40.347 40.800 0.009 0.000 0.899 399 D HN 0.362 nan 8.370 nan 0.000 0.527 400 L N -1.049 120.175 121.223 0.002 0.000 2.456 400 L HA 0.139 4.479 4.340 -0.000 0.000 0.224 400 L C -0.085 176.517 176.870 -0.448 0.000 1.148 400 L CA 0.908 55.640 54.840 -0.179 0.000 0.825 400 L CB -0.227 41.757 42.059 -0.126 0.000 0.937 400 L HN -0.110 nan 8.230 nan 0.000 0.450 401 F N -1.397 118.528 119.950 -0.042 0.000 2.576 401 F HA 0.679 5.206 4.527 -0.000 0.000 0.313 401 F C 0.601 176.369 175.800 -0.053 0.000 1.078 401 F CA -0.756 57.214 58.000 -0.051 0.000 0.921 401 F CB 0.887 39.854 39.000 -0.054 0.000 1.232 401 F HN -0.315 nan 8.300 nan 0.000 0.459 402 R N 1.571 122.138 120.500 0.111 0.000 2.589 402 R HA 0.817 5.157 4.340 -0.000 0.000 0.293 402 R C -1.877 174.440 176.300 0.030 0.000 0.963 402 R CA -0.916 55.207 56.100 0.037 0.000 0.905 402 R CB 1.417 31.708 30.300 -0.015 0.000 1.144 402 R HN 0.658 nan 8.270 nan 0.000 0.459 403 L N 1.905 123.115 121.223 -0.021 0.000 2.259 403 L HA 0.452 4.792 4.340 -0.000 0.000 0.288 403 L C -0.587 176.202 176.870 -0.134 0.000 1.051 403 L CA -0.291 54.512 54.840 -0.061 0.000 0.824 403 L CB 1.016 43.036 42.059 -0.066 0.000 1.206 403 L HN 0.822 nan 8.230 nan 0.000 0.429 404 E N 4.853 124.950 120.200 -0.171 0.000 2.216 404 E HA 0.368 4.718 4.350 -0.000 0.000 0.260 404 E C -0.762 175.601 176.600 -0.396 0.000 0.880 404 E CA -0.642 55.533 56.400 -0.373 0.000 0.765 404 E CB 0.721 30.224 29.700 -0.327 0.000 1.174 404 E HN 0.581 nan 8.360 nan 0.000 0.417 405 H N 1.590 120.506 119.070 -0.257 0.000 2.791 405 H HA -0.203 4.353 4.556 -0.000 0.000 0.302 405 H C 0.917 176.121 175.328 -0.207 0.000 1.198 405 H CA 1.047 56.868 56.048 -0.378 0.000 1.145 405 H CB -1.577 27.563 29.762 -1.037 0.000 1.385 405 H HN 1.085 nan 8.280 nan 0.000 0.409 406 G N -0.718 108.044 108.800 -0.063 0.000 2.143 406 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.249 406 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.249 406 G C 0.124 175.004 174.900 -0.032 0.000 0.981 406 G CA 0.473 45.555 45.100 -0.031 0.000 0.665 406 G HN 0.652 nan 8.290 nan 0.000 0.528 407 S N 0.131 115.804 115.700 -0.045 0.000 2.500 407 S HA 0.690 5.159 4.470 -0.000 0.000 0.301 407 S C -0.095 174.495 174.600 -0.016 0.000 1.092 407 S CA -0.774 57.413 58.200 -0.020 0.000 1.030 407 S CB 1.610 64.817 63.200 0.011 0.000 1.031 407 S HN 0.253 nan 8.310 nan 0.000 0.483 408 L N 3.671 124.891 121.223 -0.006 0.000 2.312 408 L HA 0.365 4.705 4.340 -0.000 0.000 0.287 408 L C 0.673 177.691 176.870 0.247 0.000 1.091 408 L CA -0.061 54.821 54.840 0.070 0.000 0.846 408 L CB -0.703 41.240 42.059 -0.194 0.000 1.219 408 L HN 0.799 nan 8.230 nan 0.000 0.439 409 K N 3.767 124.279 120.400 0.187 0.000 2.227 409 K HA 0.420 4.740 4.320 -0.000 0.000 0.280 409 K C -0.423 176.209 176.600 0.053 0.000 1.041 409 K CA -0.639 55.717 56.287 0.114 0.000 0.905 409 K CB 1.088 33.606 32.500 0.030 0.000 1.068 409 K HN 0.519 nan 8.250 nan 0.000 0.470 410 L N 2.196 123.369 121.223 -0.083 0.000 2.456 410 L HA 0.105 4.445 4.340 -0.000 0.000 0.272 410 L C 0.590 177.281 176.870 -0.299 0.000 1.189 410 L CA 0.068 54.660 54.840 -0.414 0.000 0.846 410 L CB 0.829 42.652 42.059 -0.394 0.000 1.111 410 L HN 0.865 nan 8.230 nan 0.000 0.475 411 D N 5.713 125.907 120.400 -0.343 0.000 2.515 411 D HA -0.056 4.584 4.640 -0.000 0.000 0.232 411 D C -1.596 174.535 176.300 -0.281 0.000 1.157 411 D CA -0.507 53.344 54.000 -0.249 0.000 0.871 411 D CB 1.245 41.907 40.800 -0.229 0.000 1.200 411 D HN 0.477 nan 8.370 nan 0.000 0.466 412 P HA -0.118 nan 4.420 nan 0.000 0.217 412 P C 1.352 178.412 177.300 -0.400 0.000 1.151 412 P CA 1.262 64.194 63.100 -0.281 0.000 0.828 412 P CB 0.020 31.650 31.700 -0.117 0.000 0.788 413 S N 0.324 115.896 115.700 -0.213 0.000 2.387 413 S HA -0.181 4.289 4.470 -0.000 0.000 0.230 413 S C 1.708 176.198 174.600 -0.184 0.000 1.035 413 S CA 1.005 59.144 58.200 -0.101 0.000 1.014 413 S CB -0.825 62.345 63.200 -0.050 0.000 0.836 413 S HN 0.037 nan 8.310 nan 0.000 0.466 414 R N 0.389 120.683 120.500 -0.342 0.000 2.272 414 R HA 0.446 4.785 4.340 -0.000 0.000 0.334 414 R C -1.217 174.882 176.300 -0.335 0.000 1.117 414 R CA -0.394 55.553 56.100 -0.255 0.000 0.966 414 R CB -0.956 29.195 30.300 -0.248 0.000 1.049 414 R HN 0.335 nan 8.270 nan 0.000 0.477 415 F N 2.823 122.755 119.950 -0.030 0.000 2.908 415 F HA 0.435 4.962 4.527 -0.000 0.000 0.328 415 F C 1.036 176.832 175.800 -0.006 0.000 1.211 415 F CA -0.032 57.959 58.000 -0.016 0.000 1.291 415 F CB 1.257 40.251 39.000 -0.010 0.000 0.962 415 F HN 0.680 nan 8.300 nan 0.000 0.505 416 G N -0.186 108.682 108.800 0.113 0.000 3.183 416 G HA2 0.579 4.539 3.960 -0.000 0.000 0.247 416 G HA3 0.579 4.539 3.960 -0.000 0.000 0.247 416 G C -2.604 172.332 174.900 0.060 0.000 1.211 416 G CA -0.776 44.378 45.100 0.090 0.000 0.835 416 G HN -0.089 nan 8.290 nan 0.000 0.604 417 P HA 0.383 nan 4.420 nan 0.000 0.278 417 P C -0.645 176.680 177.300 0.043 0.000 1.258 417 P CA -0.818 62.316 63.100 0.056 0.000 0.811 417 P CB 0.608 32.346 31.700 0.062 0.000 1.063 418 N N 1.093 119.823 118.700 0.050 0.000 2.444 418 N HA 0.198 4.938 4.740 -0.000 0.000 0.255 418 N C -2.152 173.386 175.510 0.047 0.000 1.255 418 N CA -1.007 52.070 53.050 0.045 0.000 0.933 418 N CB -0.636 37.903 38.487 0.087 0.000 1.143 418 N HN 0.368 nan 8.380 nan 0.000 0.453 419 P HA 0.114 nan 4.420 nan 0.000 0.275 419 P C -0.550 176.763 177.300 0.023 0.000 1.228 419 P CA -0.307 62.816 63.100 0.038 0.000 0.786 419 P CB 0.280 32.002 31.700 0.036 0.000 0.927 420 L N 4.318 125.544 121.223 0.004 0.000 2.295 420 L HA 0.380 4.720 4.340 -0.000 0.000 0.288 420 L C 0.533 177.337 176.870 -0.109 0.000 1.079 420 L CA -0.459 54.350 54.840 -0.051 0.000 0.830 420 L CB -1.027 40.988 42.059 -0.073 0.000 1.200 420 L HN 0.299 nan 8.230 nan 0.000 0.438 421 I N 3.510 124.032 120.570 -0.081 0.000 2.312 421 I HA 0.432 4.602 4.170 -0.000 0.000 0.290 421 I C 0.309 176.354 176.117 -0.119 0.000 1.008 421 I CA -0.196 61.048 61.300 -0.094 0.000 1.226 421 I CB 1.275 39.249 38.000 -0.045 0.000 1.371 421 I HN 0.519 nan 8.210 nan 0.000 0.468 422 K N 8.196 128.498 120.400 -0.163 0.000 2.592 422 K HA 0.433 4.753 4.320 -0.000 0.000 0.212 422 K C -0.957 175.544 176.600 -0.166 0.000 1.013 422 K CA -0.496 55.704 56.287 -0.145 0.000 1.034 422 K CB 1.297 33.709 32.500 -0.147 0.000 1.292 422 K HN 0.532 nan 8.250 nan 0.000 0.521 423 L N 1.518 122.620 121.223 -0.201 0.000 2.367 423 L HA 0.209 4.549 4.340 -0.000 0.000 0.275 423 L C 1.362 178.117 176.870 -0.192 0.000 1.129 423 L CA -0.230 54.376 54.840 -0.389 0.000 0.839 423 L CB 0.427 42.191 42.059 -0.492 0.000 1.133 423 L HN 0.540 nan 8.230 nan 0.000 0.453 424 G N 1.073 109.793 108.800 -0.132 0.000 2.525 424 G HA2 0.070 4.030 3.960 -0.000 0.000 0.276 424 G HA3 0.070 4.030 3.960 -0.000 0.000 0.276 424 G C 1.026 176.084 174.900 0.263 0.000 1.388 424 G CA 0.212 45.362 45.100 0.083 0.000 1.050 424 G HN 0.753 nan 8.290 nan 0.000 0.520 425 S N -1.972 113.882 115.700 0.257 0.000 2.461 425 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 425 S C 1.588 176.334 174.600 0.243 0.000 1.005 425 S CA 0.938 59.272 58.200 0.223 0.000 0.942 425 S CB -0.501 62.776 63.200 0.129 0.000 0.776 425 S HN 0.621 nan 8.310 nan 0.000 0.514 426 H N -0.194 118.962 119.070 0.143 0.000 2.568 426 H HA 0.035 4.591 4.556 -0.000 0.000 0.281 426 H C -0.002 175.140 175.328 -0.310 0.000 1.028 426 H CA 0.886 56.863 56.048 -0.117 0.000 1.199 426 H CB -0.170 29.440 29.762 -0.253 0.000 1.352 426 H HN 0.575 nan 8.280 nan 0.000 0.605 427 F N -0.604 119.408 119.950 0.103 0.000 2.654 427 F HA 0.156 4.683 4.527 -0.000 0.000 0.303 427 F C 1.938 177.802 175.800 0.107 0.000 1.099 427 F CA -0.038 58.039 58.000 0.128 0.000 1.270 427 F CB 0.294 39.391 39.000 0.162 0.000 1.024 427 F HN -0.010 nan 8.300 nan 0.000 0.548 428 K N 1.249 121.752 120.400 0.173 0.000 1.991 428 K HA 0.134 4.454 4.320 -0.000 0.000 0.207 428 K C 1.412 178.045 176.600 0.055 0.000 1.045 428 K CA 1.488 57.833 56.287 0.097 0.000 0.937 428 K CB -1.019 31.513 32.500 0.053 0.000 0.720 428 K HN 0.234 nan 8.250 nan 0.000 0.438 429 K N 0.648 121.068 120.400 0.032 0.000 2.258 429 K HA 0.464 4.784 4.320 -0.000 0.000 0.264 429 K C 1.205 177.831 176.600 0.044 0.000 1.007 429 K CA 0.245 56.542 56.287 0.017 0.000 0.941 429 K CB 0.895 33.392 32.500 -0.005 0.000 0.966 429 K HN 0.198 nan 8.250 nan 0.000 0.480 430 V N 1.301 121.233 119.914 0.030 0.000 2.719 430 V HA -0.197 3.923 4.120 -0.000 0.000 0.252 430 V C 2.850 178.994 176.094 0.084 0.000 1.065 430 V CA 2.435 64.768 62.300 0.054 0.000 1.086 430 V CB -0.184 31.645 31.823 0.010 0.000 0.700 430 V HN 1.063 nan 8.190 nan 0.000 0.467 431 S N 0.711 116.435 115.700 0.041 0.000 2.383 431 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 431 S C 2.125 176.732 174.600 0.011 0.000 1.026 431 S CA 1.443 59.660 58.200 0.028 0.000 0.981 431 S CB -0.737 62.468 63.200 0.008 0.000 0.818 431 S HN 0.500 nan 8.310 nan 0.000 0.472 432 G N 0.582 109.377 108.800 -0.009 0.000 2.418 432 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 432 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 432 G C 1.254 176.074 174.900 -0.133 0.000 1.158 432 G CA 0.850 45.895 45.100 -0.091 0.000 0.771 432 G HN 0.586 nan 8.290 nan 0.000 0.545 433 F N 1.775 121.646 119.950 -0.132 0.000 2.206 433 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 433 F C 2.379 178.139 175.800 -0.067 0.000 1.090 433 F CA 1.364 59.320 58.000 -0.072 0.000 1.323 433 F CB 0.064 39.093 39.000 0.049 0.000 1.028 433 F HN 0.031 nan 8.300 nan 0.000 0.492 434 N N 1.076 119.844 118.700 0.113 0.000 2.216 434 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 434 N C 2.088 177.536 175.510 -0.102 0.000 1.017 434 N CA 1.190 54.248 53.050 0.013 0.000 0.861 434 N CB -0.784 37.755 38.487 0.088 0.000 0.986 434 N HN 0.402 nan 8.380 nan 0.000 0.428 435 A N 1.245 124.013 122.820 -0.087 0.000 1.948 435 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 435 A C 2.312 179.838 177.584 -0.096 0.000 1.177 435 A CA 1.524 53.534 52.037 -0.046 0.000 0.636 435 A CB -0.314 18.672 19.000 -0.023 0.000 0.815 435 A HN 0.222 nan 8.150 nan 0.000 0.449 436 R N -1.735 118.547 120.500 -0.363 0.000 2.167 436 R HA 0.362 4.702 4.340 -0.000 0.000 0.201 436 R C -0.083 176.008 176.300 -0.348 0.000 1.024 436 R CA 0.458 56.223 56.100 -0.558 0.000 1.053 436 R CB 0.270 29.992 30.300 -0.963 0.000 0.987 436 R HN 0.453 nan 8.270 nan 0.000 0.493 437 I N 2.600 122.889 120.570 -0.468 0.000 2.778 437 I HA 0.204 4.373 4.170 -0.000 0.000 0.285 437 I C -1.889 174.035 176.117 -0.322 0.000 1.236 437 I CA -1.419 59.630 61.300 -0.420 0.000 1.089 437 I CB 1.703 39.321 38.000 -0.637 0.000 1.601 437 I HN -0.053 nan 8.210 nan 0.000 0.573 438 P HA -0.078 nan 4.420 nan 0.000 0.225 438 P C 0.085 177.218 177.300 -0.279 0.000 1.156 438 P CA 1.197 64.102 63.100 -0.325 0.000 0.787 438 P CB 0.258 31.657 31.700 -0.501 0.000 0.802 439 H N 0.650 119.714 119.070 -0.010 0.000 2.786 439 H HA 0.243 4.799 4.556 -0.000 0.000 0.284 439 H C 0.457 175.789 175.328 0.008 0.000 1.104 439 H CA -1.415 54.637 56.048 0.007 0.000 1.339 439 H CB 0.417 30.185 29.762 0.010 0.000 1.427 439 H HN -0.041 nan 8.280 nan 0.000 0.497 440 I N 4.678 125.329 120.570 0.135 0.000 2.742 440 I HA -0.029 4.141 4.170 -0.000 0.000 0.287 440 I C -1.734 174.433 176.117 0.083 0.000 1.186 440 I CA -1.344 60.015 61.300 0.099 0.000 1.417 440 I CB -0.468 37.600 38.000 0.113 0.000 1.377 440 I HN 0.218 nan 8.210 nan 0.000 0.556 441 P HA 0.155 nan 4.420 nan 0.000 0.272 441 P C -0.095 177.232 177.300 0.045 0.000 1.230 441 P CA -0.282 62.849 63.100 0.050 0.000 0.788 441 P CB 0.389 32.112 31.700 0.038 0.000 0.949 442 K N 2.522 122.942 120.400 0.033 0.000 2.315 442 K HA 0.202 4.522 4.320 -0.000 0.000 0.291 442 K C 0.685 177.298 176.600 0.023 0.000 1.074 442 K CA -0.078 56.224 56.287 0.025 0.000 0.936 442 K CB -1.245 31.265 32.500 0.016 0.000 1.049 442 K HN 0.721 nan 8.250 nan 0.000 0.471 443 I N -0.209 120.376 120.570 0.026 0.000 3.914 443 I HA 0.199 4.369 4.170 -0.000 0.000 0.333 443 I C 1.209 177.333 176.117 0.013 0.000 1.449 443 I CA -0.304 61.011 61.300 0.025 0.000 1.135 443 I CB 0.929 38.951 38.000 0.037 0.000 1.073 443 I HN 0.265 nan 8.210 nan 0.000 0.401 444 V N 1.864 121.779 119.914 0.001 0.000 2.759 444 V HA -0.092 4.028 4.120 -0.000 0.000 0.256 444 V C 1.570 177.659 176.094 -0.008 0.000 1.080 444 V CA 1.928 64.218 62.300 -0.017 0.000 1.101 444 V CB -0.382 31.426 31.823 -0.026 0.000 0.698 444 V HN 0.578 nan 8.190 nan 0.000 0.477 445 E N -0.179 120.024 120.200 0.005 0.000 2.736 445 E HA 0.231 4.581 4.350 -0.000 0.000 0.208 445 E C -0.366 176.245 176.600 0.019 0.000 0.996 445 E CA -0.273 56.134 56.400 0.012 0.000 1.104 445 E CB 0.994 30.701 29.700 0.013 0.000 1.111 445 E HN 0.454 nan 8.360 nan 0.000 0.455 446 L N -0.430 120.806 121.223 0.021 0.000 2.325 446 L HA 0.382 4.722 4.340 -0.000 0.000 0.278 446 L C 0.268 177.163 176.870 0.042 0.000 1.023 446 L CA -0.134 54.725 54.840 0.032 0.000 0.811 446 L CB 1.362 43.441 42.059 0.033 0.000 1.249 446 L HN -0.190 nan 8.230 nan 0.000 0.431 447 D N 0.963 121.399 120.400 0.059 0.000 2.527 447 D HA 0.036 4.675 4.640 -0.000 0.000 0.249 447 D C -0.213 176.161 176.300 0.124 0.000 1.029 447 D CA 1.010 55.058 54.000 0.079 0.000 0.951 447 D CB 0.175 41.021 40.800 0.077 0.000 1.093 447 D HN 0.586 nan 8.370 nan 0.000 0.464 448 H N 0.502 119.574 119.070 0.003 0.000 2.823 448 H HA 0.471 5.027 4.556 0.000 0.000 0.332 448 H C -1.678 173.644 175.328 -0.010 0.000 0.980 448 H CA -0.786 55.262 56.048 -0.001 0.000 1.286 448 H CB 0.822 30.584 29.762 -0.000 0.000 1.541 448 H HN -0.045 nan 8.280 nan 0.000 0.521 449 L N 4.743 126.012 121.223 0.076 0.000 2.346 449 L HA 0.617 4.957 4.340 -0.000 0.000 0.276 449 L C -0.846 175.973 176.870 -0.084 0.000 1.006 449 L CA -0.153 54.725 54.840 0.063 0.000 0.817 449 L CB 2.103 44.163 42.059 0.001 0.000 1.272 449 L HN 0.790 nan 8.230 nan 0.000 0.421 450 T N 5.409 119.957 114.554 -0.009 0.000 3.109 450 T HA 0.632 4.982 4.350 -0.000 0.000 0.311 450 T C -1.057 173.613 174.700 -0.051 0.000 1.011 450 T CA -0.333 61.725 62.100 -0.070 0.000 1.026 450 T CB 0.342 69.196 68.868 -0.023 0.000 1.047 450 T HN 0.523 nan 8.240 nan 0.000 0.448 451 I N 3.274 123.764 120.570 -0.134 0.000 2.569 451 I HA 0.607 4.777 4.170 -0.000 0.000 0.296 451 I C -0.034 176.021 176.117 -0.104 0.000 1.028 451 I CA -0.799 60.419 61.300 -0.137 0.000 1.082 451 I CB 2.693 40.536 38.000 -0.262 0.000 1.264 451 I HN 0.587 nan 8.210 nan 0.000 0.429 452 T N 3.093 117.635 114.554 -0.021 0.000 2.952 452 T HA 0.665 5.015 4.350 -0.000 0.000 0.305 452 T C -0.071 174.644 174.700 0.024 0.000 1.064 452 T CA 0.379 62.493 62.100 0.024 0.000 1.008 452 T CB 1.800 70.683 68.868 0.025 0.000 1.078 452 T HN 1.138 nan 8.240 nan 0.000 0.459 453 G N 3.647 112.453 108.800 0.010 0.000 2.593 453 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.237 453 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.237 453 G C -0.287 174.295 174.900 -0.529 0.000 1.312 453 G CA -0.394 44.589 45.100 -0.194 0.000 0.896 453 G HN 0.792 nan 8.290 nan 0.000 0.574 454 N N 0.327 118.653 118.700 -0.623 0.000 2.555 454 N HA 0.477 5.217 4.740 -0.000 0.000 0.244 454 N C -0.519 174.929 175.510 -0.103 0.000 1.114 454 N CA 0.116 52.841 53.050 -0.541 0.000 0.963 454 N CB 0.497 38.858 38.487 -0.209 0.000 1.276 454 N HN 0.669 nan 8.380 nan 0.000 0.510 455 V N 3.948 123.794 119.914 -0.113 0.000 2.656 455 V HA 0.506 4.626 4.120 -0.000 0.000 0.307 455 V C -0.846 175.169 176.094 -0.132 0.000 1.051 455 V CA -0.699 61.629 62.300 0.048 0.000 0.893 455 V CB 1.352 33.256 31.823 0.136 0.000 0.999 455 V HN 0.298 nan 8.190 nan 0.000 0.426 456 F N 4.867 124.823 119.950 0.011 0.000 2.449 456 F HA 0.585 5.112 4.527 -0.000 0.000 0.342 456 F C -0.260 175.539 175.800 -0.001 0.000 1.127 456 F CA -0.744 57.243 58.000 -0.021 0.000 0.975 456 F CB 1.601 40.574 39.000 -0.045 0.000 1.146 456 F HN 0.171 nan 8.300 nan 0.000 0.444 457 L N 3.110 124.391 121.223 0.097 0.000 2.292 457 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 457 L C 0.863 177.776 176.870 0.072 0.000 1.065 457 L CA -0.176 54.706 54.840 0.069 0.000 0.806 457 L CB 0.818 42.892 42.059 0.025 0.000 1.175 457 L HN 0.709 nan 8.230 nan 0.000 0.431 458 G N 1.955 110.804 108.800 0.082 0.000 2.631 458 G HA2 0.418 4.378 3.960 -0.000 0.000 0.271 458 G HA3 0.418 4.378 3.960 -0.000 0.000 0.271 458 G C -0.156 174.833 174.900 0.148 0.000 1.302 458 G CA -0.078 45.081 45.100 0.098 0.000 1.002 458 G HN 0.758 nan 8.290 nan 0.000 0.519 459 K N -0.723 119.805 120.400 0.213 0.000 2.326 459 K HA 0.412 4.732 4.320 -0.000 0.000 0.275 459 K C 0.494 177.145 176.600 0.085 0.000 1.018 459 K CA 0.519 56.937 56.287 0.218 0.000 0.962 459 K CB -0.311 32.248 32.500 0.098 0.000 0.953 459 K HN 0.732 nan 8.250 nan 0.000 0.475 460 D N -0.649 119.783 120.400 0.054 0.000 2.699 460 D HA -0.127 4.513 4.640 -0.000 0.000 0.239 460 D C -0.427 175.893 176.300 0.034 0.000 1.136 460 D CA 1.010 55.026 54.000 0.026 0.000 0.668 460 D CB -1.503 39.298 40.800 0.002 0.000 1.060 460 D HN 0.418 nan 8.370 nan 0.000 0.429 461 V N 0.151 120.093 119.914 0.046 0.000 2.607 461 V HA 0.478 4.598 4.120 -0.000 0.000 0.289 461 V C 0.981 177.092 176.094 0.030 0.000 1.053 461 V CA 0.103 62.425 62.300 0.037 0.000 0.996 461 V CB 2.047 33.894 31.823 0.041 0.000 0.995 461 V HN 0.180 nan 8.190 nan 0.000 0.476 462 T N 6.113 120.680 114.554 0.023 0.000 2.812 462 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 462 T C -0.602 174.109 174.700 0.018 0.000 0.990 462 T CA -0.282 61.830 62.100 0.019 0.000 0.960 462 T CB 0.627 69.504 68.868 0.015 0.000 0.948 462 T HN 0.366 nan 8.240 nan 0.000 0.438 463 L N 4.741 125.976 121.223 0.019 0.000 2.307 463 L HA 0.684 5.024 4.340 -0.000 0.000 0.284 463 L C 0.353 177.235 176.870 0.019 0.000 1.023 463 L CA -0.821 54.030 54.840 0.019 0.000 0.810 463 L CB 1.198 43.270 42.059 0.021 0.000 1.231 463 L HN 0.377 nan 8.230 nan 0.000 0.423 464 R N 1.744 122.254 120.500 0.018 0.000 2.651 464 R HA 0.602 4.942 4.340 -0.000 0.000 0.278 464 R C 0.209 176.519 176.300 0.016 0.000 1.010 464 R CA -0.148 55.962 56.100 0.016 0.000 0.896 464 R CB 2.146 32.453 30.300 0.012 0.000 1.211 464 R HN 0.809 nan 8.270 nan 0.000 0.456 465 G N 1.360 110.171 108.800 0.018 0.000 2.574 465 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.301 465 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.301 465 G C -0.422 174.490 174.900 0.020 0.000 1.166 465 G CA 0.403 45.511 45.100 0.014 0.000 0.971 465 G HN 0.538 nan 8.290 nan 0.000 0.542 466 T N 0.710 115.258 114.554 -0.010 0.000 2.779 466 T HA 0.584 4.934 4.350 -0.000 0.000 0.280 466 T C -0.418 174.274 174.700 -0.014 0.000 0.987 466 T CA -0.023 62.056 62.100 -0.034 0.000 0.966 466 T CB 1.813 70.567 68.868 -0.189 0.000 0.933 466 T HN 0.940 nan 8.240 nan 0.000 0.442 467 V N 5.550 125.494 119.914 0.050 0.000 2.443 467 V HA 0.506 4.626 4.120 -0.000 0.000 0.293 467 V C -0.402 175.735 176.094 0.072 0.000 1.021 467 V CA -0.711 61.612 62.300 0.039 0.000 0.848 467 V CB 1.484 33.328 31.823 0.035 0.000 0.998 467 V HN 0.817 nan 8.190 nan 0.000 0.424 468 I N 6.324 126.916 120.570 0.037 0.000 2.428 468 I HA 0.451 4.620 4.170 -0.000 0.000 0.279 468 I C -0.509 175.622 176.117 0.023 0.000 1.040 468 I CA -0.107 61.224 61.300 0.052 0.000 1.171 468 I CB 1.073 39.095 38.000 0.035 0.000 1.312 468 I HN 0.456 nan 8.210 nan 0.000 0.470 469 I N 7.097 127.676 120.570 0.015 0.000 2.321 469 I HA 0.376 4.546 4.170 -0.000 0.000 0.291 469 I C -0.321 175.801 176.117 0.009 0.000 0.998 469 I CA -0.805 60.500 61.300 0.008 0.000 1.227 469 I CB 1.738 39.741 38.000 0.005 0.000 1.368 469 I HN 0.236 nan 8.210 nan 0.000 0.466 470 V N 7.027 126.950 119.914 0.014 0.000 2.462 470 V HA 0.362 4.482 4.120 -0.000 0.000 0.288 470 V C -0.844 175.265 176.094 0.026 0.000 1.020 470 V CA -0.395 61.916 62.300 0.020 0.000 0.857 470 V CB 1.394 33.231 31.823 0.024 0.000 1.013 470 V HN 0.957 nan 8.190 nan 0.000 0.431 471 C N 7.331 126.650 119.300 0.031 0.000 2.307 471 C HA 0.843 5.303 4.460 -0.000 0.000 0.340 471 C C 0.985 176.027 174.990 0.088 0.000 1.275 471 C CA 0.415 59.465 59.018 0.054 0.000 1.811 471 C CB 0.219 27.986 27.740 0.044 0.000 2.372 471 C HN 1.203 nan 8.230 nan 0.000 0.531 472 S N 3.751 119.562 115.700 0.185 0.000 2.681 472 S HA 0.611 5.081 4.470 -0.000 0.000 0.270 472 S C 0.107 174.791 174.600 0.139 0.000 1.209 472 S CA 0.216 58.525 58.200 0.182 0.000 0.988 472 S CB 0.487 63.813 63.200 0.209 0.000 1.006 472 S HN 1.124 nan 8.310 nan 0.000 0.558 473 D N -1.075 119.349 120.400 0.039 0.000 2.478 473 D HA 0.432 5.072 4.640 -0.000 0.000 0.234 473 D C 1.460 177.627 176.300 -0.223 0.000 1.154 473 D CA 0.304 54.286 54.000 -0.031 0.000 0.874 473 D CB -0.974 39.819 40.800 -0.013 0.000 1.198 473 D HN 1.750 nan 8.370 nan 0.000 0.455 474 G N 0.435 109.129 108.800 -0.177 0.000 2.579 474 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.222 474 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.222 474 G C 0.586 175.344 174.900 -0.236 0.000 1.201 474 G CA 0.699 45.632 45.100 -0.278 0.000 0.710 474 G HN 1.077 nan 8.290 nan 0.000 0.516 475 H N 0.659 119.747 119.070 0.030 0.000 2.437 475 H HA 0.747 5.303 4.556 -0.000 0.000 0.338 475 H C 0.450 175.797 175.328 0.031 0.000 1.495 475 H CA 0.373 56.436 56.048 0.025 0.000 1.453 475 H CB 0.952 30.724 29.762 0.017 0.000 1.707 475 H HN 0.380 nan 8.280 nan 0.000 0.655 476 K N 1.128 121.645 120.400 0.194 0.000 2.557 476 K HA 0.270 4.590 4.320 -0.000 0.000 0.257 476 K C -1.979 174.693 176.600 0.120 0.000 0.933 476 K CA -0.812 55.560 56.287 0.142 0.000 0.820 476 K CB 2.002 34.590 32.500 0.147 0.000 1.330 476 K HN 0.593 nan 8.250 nan 0.000 0.432 477 I N 1.702 122.350 120.570 0.130 0.000 2.389 477 I HA 0.424 4.593 4.170 -0.000 0.000 0.288 477 I C -1.074 175.130 176.117 0.145 0.000 0.999 477 I CA -0.079 61.281 61.300 0.101 0.000 1.129 477 I CB 1.472 39.507 38.000 0.059 0.000 1.288 477 I HN 0.360 nan 8.210 nan 0.000 0.444 478 D N 7.972 128.428 120.400 0.093 0.000 2.339 478 D HA 0.329 4.969 4.640 -0.000 0.000 0.241 478 D C -0.225 176.117 176.300 0.070 0.000 1.183 478 D CA 0.290 54.344 54.000 0.090 0.000 0.859 478 D CB 1.286 42.097 40.800 0.017 0.000 1.067 478 D HN 0.492 nan 8.370 nan 0.000 0.484 479 I N 5.536 126.158 120.570 0.086 0.000 2.363 479 I HA 0.103 4.273 4.170 -0.000 0.000 0.292 479 I C -1.803 174.344 176.117 0.050 0.000 1.075 479 I CA -1.595 59.740 61.300 0.058 0.000 1.333 479 I CB 0.772 38.805 38.000 0.055 0.000 1.415 479 I HN 0.080 nan 8.210 nan 0.000 0.502 480 P HA -0.038 nan 4.420 nan 0.000 0.266 480 P C -0.578 176.744 177.300 0.037 0.000 1.193 480 P CA -0.137 62.982 63.100 0.031 0.000 0.770 480 P CB 0.339 32.051 31.700 0.019 0.000 0.836 481 N N 0.962 119.686 118.700 0.041 0.000 2.292 481 N HA 0.024 4.764 4.740 -0.000 0.000 0.242 481 N C 1.835 177.363 175.510 0.031 0.000 1.243 481 N CA 1.730 54.807 53.050 0.045 0.000 0.851 481 N CB -0.499 38.012 38.487 0.040 0.000 1.093 481 N HN 0.772 nan 8.380 nan 0.000 0.450 482 G N 0.164 108.982 108.800 0.030 0.000 2.270 482 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.268 482 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.268 482 G C 0.257 175.168 174.900 0.019 0.000 0.982 482 G CA 1.073 46.184 45.100 0.019 0.000 0.628 482 G HN 0.961 nan 8.290 nan 0.000 0.544 483 S N -0.010 115.703 115.700 0.022 0.000 2.563 483 S HA 0.402 4.872 4.470 -0.000 0.000 0.284 483 S C 0.331 174.942 174.600 0.017 0.000 1.331 483 S CA 0.295 58.506 58.200 0.018 0.000 1.047 483 S CB 1.638 64.850 63.200 0.020 0.000 0.859 483 S HN 1.505 nan 8.310 nan 0.000 0.514 484 I N 2.490 123.067 120.570 0.013 0.000 2.493 484 I HA 0.425 4.595 4.170 -0.000 0.000 0.279 484 I C -1.760 174.363 176.117 0.010 0.000 1.045 484 I CA -1.168 60.139 61.300 0.012 0.000 1.106 484 I CB 0.560 38.565 38.000 0.010 0.000 1.216 484 I HN 0.643 nan 8.210 nan 0.000 0.459 485 L N 6.868 128.097 121.223 0.011 0.000 2.309 485 L HA 0.638 4.978 4.340 -0.000 0.000 0.282 485 L C -0.217 176.658 176.870 0.008 0.000 1.036 485 L CA -0.315 54.530 54.840 0.008 0.000 0.806 485 L CB 1.553 43.618 42.059 0.010 0.000 1.220 485 L HN 0.585 nan 8.230 nan 0.000 0.429 486 E N 3.512 123.714 120.200 0.004 0.000 2.313 486 E HA 0.205 4.555 4.350 -0.000 0.000 0.280 486 E C -1.185 175.412 176.600 -0.004 0.000 0.898 486 E CA -0.631 55.771 56.400 0.002 0.000 0.803 486 E CB 0.981 30.683 29.700 0.003 0.000 1.286 486 E HN 0.727 nan 8.360 nan 0.000 0.401 487 N N 1.549 120.243 118.700 -0.010 0.000 2.573 487 N HA -0.183 4.557 4.740 -0.000 0.000 0.280 487 N C -1.568 173.929 175.510 -0.022 0.000 1.187 487 N CA 0.558 53.595 53.050 -0.021 0.000 0.717 487 N CB -0.261 38.214 38.487 -0.020 0.000 0.899 487 N HN 0.190 nan 8.380 nan 0.000 0.546 488 V N 1.363 121.263 119.914 -0.023 0.000 3.023 488 V HA 0.354 4.474 4.120 -0.000 0.000 0.294 488 V C -0.827 175.256 176.094 -0.018 0.000 1.324 488 V CA -0.803 61.487 62.300 -0.017 0.000 0.979 488 V CB 2.512 34.330 31.823 -0.009 0.000 1.093 488 V HN 0.020 nan 8.190 nan 0.000 0.434 489 V N 5.467 125.371 119.914 -0.016 0.000 2.398 489 V HA 0.610 4.730 4.120 -0.000 0.000 0.286 489 V C -0.406 175.684 176.094 -0.007 0.000 1.026 489 V CA -0.535 61.759 62.300 -0.011 0.000 0.868 489 V CB 1.810 33.625 31.823 -0.014 0.000 0.982 489 V HN 0.581 nan 8.190 nan 0.000 0.443 490 V N 4.013 123.926 119.914 -0.002 0.000 2.448 490 V HA 0.761 4.881 4.120 -0.000 0.000 0.295 490 V C -0.006 176.087 176.094 -0.003 0.000 1.025 490 V CA -0.193 62.106 62.300 -0.002 0.000 0.859 490 V CB 1.798 33.623 31.823 0.004 0.000 0.988 490 V HN 0.956 nan 8.190 nan 0.000 0.431 491 T N 2.480 117.027 114.554 -0.011 0.000 2.853 491 T HA 0.822 5.172 4.350 -0.000 0.000 0.311 491 T C -0.238 174.435 174.700 -0.045 0.000 1.307 491 T CA 0.700 62.789 62.100 -0.019 0.000 1.019 491 T CB 1.704 70.563 68.868 -0.015 0.000 1.264 491 T HN 1.742 nan 8.240 nan 0.000 0.497 492 G N 2.941 111.696 108.800 -0.076 0.000 2.280 492 G HA2 0.069 4.029 3.960 -0.000 0.000 0.277 492 G HA3 0.069 4.029 3.960 -0.000 0.000 0.277 492 G C -1.646 173.138 174.900 -0.193 0.000 1.288 492 G CA -0.767 44.238 45.100 -0.159 0.000 1.075 492 G HN 0.840 nan 8.290 nan 0.000 0.480 493 N N -0.297 118.284 118.700 -0.199 0.000 2.417 493 N HA 0.806 5.546 4.740 -0.000 0.000 0.300 493 N C -1.158 174.329 175.510 -0.038 0.000 1.102 493 N CA -0.198 52.795 53.050 -0.094 0.000 0.886 493 N CB 1.745 40.187 38.487 -0.075 0.000 1.203 493 N HN 0.956 nan 8.380 nan 0.000 0.496 494 L N 1.049 122.271 121.223 -0.002 0.000 2.710 494 L HA 0.365 4.705 4.340 -0.000 0.000 0.262 494 L C -0.905 175.969 176.870 0.007 0.000 0.940 494 L CA -0.261 54.579 54.840 -0.000 0.000 0.944 494 L CB 0.944 43.003 42.059 -0.000 0.000 1.348 494 L HN 0.568 nan 8.230 nan 0.000 0.425 495 Q N 4.854 124.652 119.800 -0.004 0.000 2.307 495 Q HA 0.806 5.146 4.340 -0.000 0.000 0.262 495 Q C -1.150 174.837 176.000 -0.021 0.000 0.961 495 Q CA -0.201 55.591 55.803 -0.019 0.000 0.882 495 Q CB 2.195 30.921 28.738 -0.021 0.000 1.264 495 Q HN 0.677 nan 8.270 nan 0.000 0.446 496 I N 2.444 122.995 120.570 -0.031 0.000 2.406 496 I HA 0.576 4.746 4.170 -0.000 0.000 0.290 496 I C -0.699 175.399 176.117 -0.032 0.000 0.999 496 I CA -0.767 60.520 61.300 -0.023 0.000 1.124 496 I CB 1.824 39.816 38.000 -0.013 0.000 1.289 496 I HN 0.601 nan 8.210 nan 0.000 0.441 497 L N 5.510 126.724 121.223 -0.015 0.000 2.386 497 L HA 0.395 4.735 4.340 -0.000 0.000 0.271 497 L C 0.095 176.976 176.870 0.017 0.000 0.993 497 L CA -0.704 54.130 54.840 -0.010 0.000 0.819 497 L CB 2.205 44.262 42.059 -0.003 0.000 1.294 497 L HN 0.544 nan 8.230 nan 0.000 0.414 498 E N 3.434 123.641 120.200 0.011 0.000 2.498 498 E HA -0.058 4.291 4.350 -0.000 0.000 0.252 498 E C -0.297 176.340 176.600 0.062 0.000 1.025 498 E CA 0.185 56.603 56.400 0.030 0.000 0.938 498 E CB 0.331 30.034 29.700 0.005 0.000 0.947 498 E HN 0.435 nan 8.360 nan 0.000 0.478 499 H N 0.000 119.062 119.070 -0.014 0.000 2.539 499 H HA 0.000 4.556 4.556 0.000 0.000 0.296 499 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 499 H CB 0.000 29.756 29.762 -0.009 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496