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 1vjj_1_A DATA FIRST_RESID 1 DATA SEQUENCE AALGVQSINW QTAFNRQAHH TDKFSSQELI LRRGQNFQVL MIMNKGLGSN DATA SEQUENCE ERLEFIVSTG PYPSESAMTK AVFPLSNGSS GGWSAVLQAS NGNTLTISIS DATA SEQUENCE SPASAPIGRY TMALQIFSQG GISSVKLGTF ILLFNPWLNV DSVFMGNHAE DATA SEQUENCE REEYVQEDAG IIFVGSTNRI GMIGWNFGQF EEDILSICLS ILDRSLNFRR DATA SEQUENCE DAATDVASRN DPKYVGRVLS AMINSNDDNG VLAGNWSGTY TGGRDPRSWN DATA SEQUENCE GSVEILKNWK KSGLSPVRYG QCWVFAGTLN TALRSLGIPS RVITNFNSAH DATA SEQUENCE DTDRNLSVDV YYDPMGNPLD KGSDSVWNFH VWNEGWFVRS DLGPSYGGWQ DATA SEQUENCE VLDATPQERS QGVFQCGPAS VIGVREGDVQ LNFDMPFIFA EVNADRITWL DATA SEQUENCE YDNTTGKQWK NSVNSHTIGR YISTKAVGSN ARMDVTDKYK YPEGSDQERQ DATA SEQUENCE VFQKALGKLK PXXXXXXXXX XXXXXXXXEP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.012 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 2 A N 0.597 123.408 122.820 -0.016 0.000 2.386 2 A HA 0.552 4.865 4.320 -0.013 0.000 0.248 2 A C 0.318 177.889 177.584 -0.022 0.000 1.082 2 A CA -0.105 51.921 52.037 -0.018 0.000 0.789 2 A CB 0.006 18.991 19.000 -0.024 0.000 1.025 2 A HN 2.084 nan 8.150 nan 0.000 0.490 3 L N 1.717 122.928 121.223 -0.020 0.000 2.540 3 L HA 0.479 4.811 4.340 -0.013 0.000 0.276 3 L C 0.564 177.411 176.870 -0.039 0.000 1.212 3 L CA 1.606 56.431 54.840 -0.025 0.000 0.893 3 L CB 0.136 42.184 42.059 -0.018 0.000 1.138 3 L HN 0.888 nan 8.230 nan 0.000 0.491 4 G N 3.662 112.438 108.800 -0.040 0.000 2.677 4 G HA2 0.550 4.502 3.960 -0.013 0.000 0.291 4 G HA3 0.550 4.502 3.960 -0.013 0.000 0.291 4 G C -1.826 173.045 174.900 -0.047 0.000 1.435 4 G CA -0.680 44.391 45.100 -0.048 0.000 0.826 4 G HN 0.505 nan 8.290 nan 0.000 0.491 5 V N 1.013 120.895 119.914 -0.053 0.000 2.465 5 V HA 0.250 4.362 4.120 -0.013 0.000 0.279 5 V C 0.889 176.961 176.094 -0.036 0.000 1.045 5 V CA -0.104 62.165 62.300 -0.051 0.000 0.938 5 V CB 1.377 33.162 31.823 -0.063 0.000 0.986 5 V HN 0.897 nan 8.190 nan 0.000 0.467 6 Q N 2.314 122.094 119.800 -0.033 0.000 2.259 6 Q HA 0.161 4.493 4.340 -0.013 0.000 0.201 6 Q C 0.532 176.520 176.000 -0.020 0.000 0.938 6 Q CA 0.852 56.642 55.803 -0.023 0.000 0.872 6 Q CB 0.893 29.619 28.738 -0.021 0.000 0.971 6 Q HN 0.919 nan 8.270 nan 0.000 0.494 7 S N -0.990 114.690 115.700 -0.034 0.000 2.595 7 S HA 0.560 5.022 4.470 -0.013 0.000 0.270 7 S C -1.382 173.166 174.600 -0.086 0.000 1.145 7 S CA -0.985 57.193 58.200 -0.037 0.000 0.825 7 S CB 1.428 64.614 63.200 -0.022 0.000 1.107 7 S HN 0.211 nan 8.310 nan 0.000 0.461 8 I N 1.572 122.066 120.570 -0.127 0.000 2.569 8 I HA 0.539 4.701 4.170 -0.013 0.000 0.290 8 I C -1.626 174.299 176.117 -0.319 0.000 1.088 8 I CA -0.547 60.576 61.300 -0.295 0.000 1.047 8 I CB 1.899 39.587 38.000 -0.520 0.000 1.237 8 I HN 0.810 nan 8.210 nan 0.000 0.421 9 N N 6.540 125.074 118.700 -0.277 0.000 2.501 9 N HA 0.213 4.945 4.740 -0.013 0.000 0.245 9 N C -0.279 175.149 175.510 -0.138 0.000 0.974 9 N CA -0.374 52.598 53.050 -0.130 0.000 0.941 9 N CB 0.606 39.059 38.487 -0.055 0.000 1.122 9 N HN 0.640 nan 8.380 nan 0.000 0.507 10 W N 1.823 123.169 121.300 0.077 0.000 2.937 10 W HA 0.105 4.758 4.660 -0.011 0.000 0.245 10 W C 0.661 177.241 176.519 0.102 0.000 1.306 10 W CA -0.212 57.189 57.345 0.093 0.000 1.470 10 W CB -0.121 29.385 29.460 0.076 0.000 1.132 10 W HN 0.499 nan 8.180 nan 0.000 0.675 11 Q N -0.165 119.789 119.800 0.257 0.000 2.423 11 Q HA -0.262 4.070 4.340 -0.013 0.000 0.332 11 Q C 0.985 177.142 176.000 0.261 0.000 1.355 11 Q CA 0.802 56.741 55.803 0.226 0.000 0.947 11 Q CB -1.947 26.918 28.738 0.211 0.000 1.189 11 Q HN 0.278 nan 8.270 nan 0.000 0.418 12 T N -0.400 114.286 114.554 0.220 0.000 2.635 12 T HA -0.253 4.090 4.350 -0.013 0.000 0.267 12 T C 1.859 176.619 174.700 0.101 0.000 1.040 12 T CA 1.648 63.832 62.100 0.139 0.000 1.156 12 T CB -0.175 68.757 68.868 0.107 0.000 0.863 12 T HN 0.682 nan 8.240 nan 0.000 0.430 13 A N 1.172 124.062 122.820 0.117 0.000 1.865 13 A HA -0.087 4.225 4.320 -0.013 0.000 0.217 13 A C 2.072 179.719 177.584 0.105 0.000 1.191 13 A CA 1.863 53.956 52.037 0.094 0.000 0.623 13 A CB -1.151 17.908 19.000 0.099 0.000 0.826 13 A HN 0.522 nan 8.150 nan 0.000 0.444 14 F N 1.304 121.269 119.950 0.025 0.000 2.069 14 F HA -0.246 4.274 4.527 -0.011 0.000 0.298 14 F C 2.192 178.004 175.800 0.020 0.000 1.113 14 F CA 2.244 60.256 58.000 0.020 0.000 1.214 14 F CB -0.232 38.786 39.000 0.031 0.000 0.978 14 F HN 0.212 nan 8.300 nan 0.000 0.474 15 N N 0.699 119.364 118.700 -0.057 0.000 2.120 15 N HA -0.148 4.584 4.740 -0.013 0.000 0.188 15 N C 1.931 177.320 175.510 -0.201 0.000 1.024 15 N CA 1.477 54.419 53.050 -0.179 0.000 0.852 15 N CB -0.473 38.007 38.487 -0.013 0.000 1.003 15 N HN 0.401 nan 8.380 nan 0.000 0.424 16 R N 0.656 121.073 120.500 -0.139 0.000 2.120 16 R HA -0.116 4.216 4.340 -0.013 0.000 0.234 16 R C 2.155 178.365 176.300 -0.149 0.000 1.123 16 R CA 0.966 57.001 56.100 -0.109 0.000 0.975 16 R CB -0.143 30.133 30.300 -0.039 0.000 0.866 16 R HN 0.203 nan 8.270 nan 0.000 0.446 17 Q N 0.723 120.410 119.800 -0.187 0.000 2.050 17 Q HA -0.099 4.234 4.340 -0.013 0.000 0.202 17 Q C 1.959 177.715 176.000 -0.407 0.000 0.980 17 Q CA 2.106 57.770 55.803 -0.230 0.000 0.840 17 Q CB -0.240 28.391 28.738 -0.178 0.000 0.898 17 Q HN 0.337 nan 8.270 nan 0.000 0.424 18 A N -0.583 121.959 122.820 -0.463 0.000 1.969 18 A HA -0.169 4.144 4.320 -0.013 0.000 0.218 18 A C 1.629 178.791 177.584 -0.704 0.000 1.169 18 A CA 1.482 53.196 52.037 -0.538 0.000 0.635 18 A CB -0.757 17.952 19.000 -0.485 0.000 0.810 18 A HN 0.585 nan 8.150 nan 0.000 0.445 19 H N -1.577 117.138 119.070 -0.591 0.000 2.539 19 H HA 0.027 4.575 4.556 -0.014 0.000 0.267 19 H C -0.375 174.621 175.328 -0.554 0.000 0.982 19 H CA 0.479 56.239 56.048 -0.480 0.000 1.146 19 H CB 0.043 29.666 29.762 -0.232 0.000 1.382 19 H HN 0.668 nan 8.280 nan 0.000 0.577 20 H N 0.158 119.020 119.070 -0.347 0.000 2.756 20 H HA -0.116 4.433 4.556 -0.012 0.000 0.315 20 H C 0.700 175.941 175.328 -0.146 0.000 1.210 20 H CA 1.154 56.937 56.048 -0.442 0.000 1.150 20 H CB -2.315 26.692 29.762 -1.260 0.000 1.463 20 H HN 0.519 nan 8.280 nan 0.000 0.427 21 T N -3.465 111.121 114.554 0.053 0.000 3.170 21 T HA 0.023 4.365 4.350 -0.013 0.000 0.288 21 T C 1.165 176.000 174.700 0.226 0.000 0.992 21 T CA 0.160 62.437 62.100 0.295 0.000 0.909 21 T CB 0.452 69.486 68.868 0.277 0.000 1.133 21 T HN 0.410 nan 8.240 nan 0.000 0.530 22 D N 1.783 122.202 120.400 0.030 0.000 2.348 22 D HA -0.082 4.550 4.640 -0.013 0.000 0.216 22 D C 1.488 177.743 176.300 -0.074 0.000 0.970 22 D CA 0.310 54.306 54.000 -0.008 0.000 0.889 22 D CB 0.068 40.835 40.800 -0.054 0.000 0.912 22 D HN 0.373 nan 8.370 nan 0.000 0.524 23 K N -0.002 120.242 120.400 -0.259 0.000 2.296 23 K HA 0.033 4.345 4.320 -0.013 0.000 0.200 23 K C 0.395 176.794 176.600 -0.334 0.000 1.048 23 K CA -0.030 55.922 56.287 -0.558 0.000 0.966 23 K CB -0.064 31.599 32.500 -1.395 0.000 0.754 23 K HN 0.139 nan 8.250 nan 0.000 0.466 24 F N 2.658 122.656 119.950 0.081 0.000 2.578 24 F HA -0.067 4.450 4.527 -0.017 0.000 0.381 24 F C 1.139 177.017 175.800 0.130 0.000 1.069 24 F CA -0.244 57.907 58.000 0.253 0.000 1.231 24 F CB 0.232 39.374 39.000 0.237 0.000 1.086 24 F HN -0.084 nan 8.300 nan 0.000 0.564 25 S N 2.394 118.277 115.700 0.305 0.000 2.416 25 S HA 0.488 4.950 4.470 -0.013 0.000 0.302 25 S C -0.175 174.533 174.600 0.180 0.000 1.120 25 S CA -0.357 57.954 58.200 0.185 0.000 1.067 25 S CB 0.715 64.005 63.200 0.149 0.000 1.057 25 S HN 0.681 nan 8.310 nan 0.000 0.518 26 S N 2.200 117.987 115.700 0.146 0.000 2.586 26 S HA 0.297 4.759 4.470 -0.013 0.000 0.277 26 S C -0.285 174.358 174.600 0.071 0.000 1.131 26 S CA -0.644 57.616 58.200 0.100 0.000 0.848 26 S CB 1.153 64.411 63.200 0.098 0.000 1.091 26 S HN 0.572 nan 8.310 nan 0.000 0.453 27 Q N 1.220 121.045 119.800 0.042 0.000 2.356 27 Q HA 0.246 4.578 4.340 -0.013 0.000 0.205 27 Q C -0.036 175.967 176.000 0.006 0.000 0.901 27 Q CA 0.311 56.133 55.803 0.031 0.000 0.938 27 Q CB 0.184 28.939 28.738 0.029 0.000 1.081 27 Q HN 0.697 nan 8.270 nan 0.000 0.517 28 E N 0.922 121.114 120.200 -0.013 0.000 2.408 28 E HA 0.071 4.413 4.350 -0.013 0.000 0.259 28 E C -0.423 176.134 176.600 -0.072 0.000 1.110 28 E CA -0.334 56.032 56.400 -0.057 0.000 0.929 28 E CB 0.717 30.377 29.700 -0.067 0.000 0.971 28 E HN -0.078 nan 8.360 nan 0.000 0.438 29 L N 3.362 124.506 121.223 -0.132 0.000 2.295 29 L HA 0.265 4.597 4.340 -0.013 0.000 0.288 29 L C -1.002 175.787 176.870 -0.135 0.000 1.079 29 L CA 0.468 55.212 54.840 -0.159 0.000 0.830 29 L CB -0.071 41.815 42.059 -0.289 0.000 1.200 29 L HN 0.340 nan 8.230 nan 0.000 0.438 30 I N 6.471 126.967 120.570 -0.124 0.000 2.339 30 I HA 0.402 4.565 4.170 -0.013 0.000 0.290 30 I C -0.408 175.618 176.117 -0.152 0.000 0.994 30 I CA -0.384 60.848 61.300 -0.113 0.000 1.191 30 I CB 1.195 39.131 38.000 -0.107 0.000 1.343 30 I HN 0.523 nan 8.210 nan 0.000 0.458 31 L N 5.960 127.095 121.223 -0.147 0.000 2.283 31 L HA 0.660 4.992 4.340 -0.013 0.000 0.259 31 L C -0.408 176.512 176.870 0.083 0.000 1.027 31 L CA -0.954 53.766 54.840 -0.200 0.000 0.828 31 L CB 2.077 43.801 42.059 -0.558 0.000 1.380 31 L HN 0.483 nan 8.230 nan 0.000 0.425 32 R N 0.396 121.096 120.500 0.332 0.000 2.670 32 R HA 0.467 4.799 4.340 -0.013 0.000 0.289 32 R C -0.882 175.519 176.300 0.169 0.000 0.965 32 R CA -0.974 55.271 56.100 0.241 0.000 0.899 32 R CB 2.191 32.647 30.300 0.261 0.000 1.173 32 R HN 0.579 nan 8.270 nan 0.000 0.456 33 R N 0.394 120.949 120.500 0.093 0.000 2.734 33 R HA 0.192 4.524 4.340 -0.013 0.000 0.266 33 R C 0.456 176.755 176.300 -0.003 0.000 1.044 33 R CA 0.568 56.669 56.100 0.002 0.000 1.128 33 R CB 0.108 30.403 30.300 -0.008 0.000 1.010 33 R HN 0.793 nan 8.270 nan 0.000 0.461 34 G N 0.107 108.843 108.800 -0.106 0.000 2.168 34 G HA2 -0.357 3.596 3.960 -0.013 0.000 0.257 34 G HA3 -0.357 3.596 3.960 -0.013 0.000 0.257 34 G C -0.140 174.719 174.900 -0.068 0.000 0.997 34 G CA 0.779 45.821 45.100 -0.098 0.000 0.708 34 G HN 0.777 nan 8.290 nan 0.000 0.520 35 Q N -0.100 119.677 119.800 -0.039 0.000 2.331 35 Q HA 0.474 4.807 4.340 -0.013 0.000 0.272 35 Q C -0.020 176.049 176.000 0.114 0.000 1.062 35 Q CA -0.754 55.020 55.803 -0.048 0.000 0.806 35 Q CB 1.078 29.659 28.738 -0.261 0.000 1.312 35 Q HN 0.441 nan 8.270 nan 0.000 0.431 36 N N 1.755 120.496 118.700 0.068 0.000 2.503 36 N HA 0.428 5.160 4.740 -0.013 0.000 0.267 36 N C -1.063 174.654 175.510 0.344 0.000 1.214 36 N CA -0.073 53.034 53.050 0.096 0.000 0.959 36 N CB 0.466 38.925 38.487 -0.046 0.000 1.142 36 N HN 0.384 nan 8.380 nan 0.000 0.455 37 F N -3.001 116.999 119.950 0.082 0.000 2.588 37 F HA 0.491 5.011 4.527 -0.012 0.000 0.310 37 F C -0.416 175.428 175.800 0.073 0.000 1.082 37 F CA -1.218 56.828 58.000 0.077 0.000 0.929 37 F CB 1.452 40.395 39.000 -0.095 0.000 1.254 37 F HN 0.528 nan 8.300 nan 0.000 0.455 38 Q N 2.730 122.678 119.800 0.246 0.000 2.293 38 Q HA 0.706 5.038 4.340 -0.013 0.000 0.261 38 Q C -1.314 174.769 176.000 0.138 0.000 0.960 38 Q CA -0.932 54.941 55.803 0.117 0.000 0.882 38 Q CB 2.256 31.084 28.738 0.150 0.000 1.275 38 Q HN 0.896 nan 8.270 nan 0.000 0.445 39 V N 1.493 121.418 119.914 0.019 0.000 2.960 39 V HA 0.669 4.781 4.120 -0.013 0.000 0.315 39 V C -0.939 175.107 176.094 -0.080 0.000 1.087 39 V CA -1.023 61.263 62.300 -0.023 0.000 0.982 39 V CB 1.868 33.616 31.823 -0.124 0.000 1.039 39 V HN 0.736 nan 8.190 nan 0.000 0.437 40 L N 3.302 124.457 121.223 -0.113 0.000 2.325 40 L HA 0.630 4.962 4.340 -0.013 0.000 0.281 40 L C -0.443 176.348 176.870 -0.131 0.000 1.004 40 L CA -0.342 54.440 54.840 -0.098 0.000 0.823 40 L CB 1.747 43.759 42.059 -0.078 0.000 1.236 40 L HN 0.689 nan 8.230 nan 0.000 0.415 41 M N 4.731 124.276 119.600 -0.093 0.000 2.125 41 M HA 0.487 4.959 4.480 -0.013 0.000 0.321 41 M C -0.839 175.423 176.300 -0.063 0.000 0.983 41 M CA -0.368 54.876 55.300 -0.094 0.000 0.934 41 M CB 1.440 34.007 32.600 -0.054 0.000 1.542 41 M HN 0.464 nan 8.290 nan 0.000 0.424 42 I N 6.270 126.801 120.570 -0.065 0.000 2.301 42 I HA 0.184 4.346 4.170 -0.013 0.000 0.292 42 I C -0.088 176.004 176.117 -0.041 0.000 1.046 42 I CA -0.486 60.786 61.300 -0.046 0.000 1.282 42 I CB 0.775 38.751 38.000 -0.040 0.000 1.409 42 I HN 0.629 nan 8.210 nan 0.000 0.484 43 M N 5.273 124.852 119.600 -0.035 0.000 2.219 43 M HA 0.178 4.650 4.480 -0.013 0.000 0.280 43 M C 1.256 177.540 176.300 -0.026 0.000 1.189 43 M CA -0.356 54.924 55.300 -0.033 0.000 1.010 43 M CB 0.176 32.758 32.600 -0.030 0.000 1.422 43 M HN 0.517 nan 8.290 nan 0.000 0.504 44 N N 0.345 119.031 118.700 -0.025 0.000 2.373 44 N HA -0.003 4.729 4.740 -0.013 0.000 0.181 44 N C -0.229 175.271 175.510 -0.016 0.000 1.082 44 N CA 0.346 53.385 53.050 -0.020 0.000 0.885 44 N CB 0.434 38.909 38.487 -0.020 0.000 0.977 44 N HN 0.735 nan 8.380 nan 0.000 0.462 45 K N -2.157 118.233 120.400 -0.017 0.000 2.556 45 K HA 0.586 4.898 4.320 -0.013 0.000 0.289 45 K C -0.334 176.259 176.600 -0.012 0.000 1.040 45 K CA -0.968 55.311 56.287 -0.013 0.000 0.894 45 K CB 0.469 32.962 32.500 -0.011 0.000 1.547 45 K HN -0.134 nan 8.250 nan 0.000 0.417 46 G N 0.646 109.441 108.800 -0.009 0.000 2.503 46 G HA2 0.303 4.255 3.960 -0.013 0.000 0.257 46 G HA3 0.303 4.255 3.960 -0.013 0.000 0.257 46 G C -0.601 174.295 174.900 -0.006 0.000 1.214 46 G CA -0.932 44.164 45.100 -0.008 0.000 0.839 46 G HN 0.502 nan 8.290 nan 0.000 0.559 47 L N 1.767 122.987 121.223 -0.004 0.000 2.418 47 L HA 0.368 4.700 4.340 -0.013 0.000 0.274 47 L C 1.177 178.048 176.870 0.002 0.000 1.135 47 L CA -0.452 54.388 54.840 -0.000 0.000 0.870 47 L CB 0.005 42.066 42.059 0.003 0.000 1.154 47 L HN 0.576 nan 8.230 nan 0.000 0.462 48 G N 1.972 110.774 108.800 0.004 0.000 2.503 48 G HA2 0.079 4.031 3.960 -0.013 0.000 0.257 48 G HA3 0.079 4.031 3.960 -0.013 0.000 0.257 48 G C 0.755 175.658 174.900 0.005 0.000 1.214 48 G CA -0.049 45.053 45.100 0.004 0.000 0.839 48 G HN 0.732 nan 8.290 nan 0.000 0.559 49 S N 0.289 115.990 115.700 0.002 0.000 2.423 49 S HA -0.150 4.312 4.470 -0.013 0.000 0.231 49 S C 1.860 176.459 174.600 -0.002 0.000 1.014 49 S CA 1.438 59.638 58.200 0.000 0.000 0.965 49 S CB -0.154 63.046 63.200 -0.001 0.000 0.785 49 S HN 0.631 nan 8.310 nan 0.000 0.495 50 N N 0.871 119.571 118.700 0.001 0.000 2.235 50 N HA 0.146 4.879 4.740 -0.013 0.000 0.209 50 N C -0.395 175.121 175.510 0.010 0.000 1.122 50 N CA -0.089 52.961 53.050 0.001 0.000 0.845 50 N CB 0.379 38.868 38.487 0.004 0.000 1.004 50 N HN 0.481 nan 8.380 nan 0.000 0.499 51 E N -0.106 120.104 120.200 0.016 0.000 2.232 51 E HA 0.416 4.758 4.350 -0.013 0.000 0.264 51 E C -0.581 176.038 176.600 0.033 0.000 0.973 51 E CA -0.835 55.590 56.400 0.041 0.000 0.849 51 E CB 2.196 31.918 29.700 0.036 0.000 1.198 51 E HN 0.042 nan 8.360 nan 0.000 0.407 52 R N 1.518 122.068 120.500 0.083 0.000 2.668 52 R HA 0.440 4.772 4.340 -0.013 0.000 0.272 52 R C -1.806 174.578 176.300 0.140 0.000 1.019 52 R CA -0.555 55.582 56.100 0.060 0.000 0.894 52 R CB 1.184 31.436 30.300 -0.080 0.000 1.228 52 R HN 0.476 nan 8.270 nan 0.000 0.460 53 L N 2.734 123.989 121.223 0.054 0.000 2.346 53 L HA 0.535 4.867 4.340 -0.013 0.000 0.276 53 L C -0.474 176.360 176.870 -0.060 0.000 1.006 53 L CA -0.854 53.958 54.840 -0.046 0.000 0.817 53 L CB 2.113 44.078 42.059 -0.157 0.000 1.272 53 L HN 0.522 nan 8.230 nan 0.000 0.421 54 E N 3.047 123.169 120.200 -0.131 0.000 2.216 54 E HA 0.375 4.717 4.350 -0.013 0.000 0.260 54 E C -1.263 175.131 176.600 -0.343 0.000 0.880 54 E CA -0.475 55.856 56.400 -0.115 0.000 0.765 54 E CB 2.271 32.013 29.700 0.071 0.000 1.174 54 E HN 0.236 nan 8.360 nan 0.000 0.417 55 F N 2.194 121.859 119.950 -0.474 0.000 2.389 55 F HA 0.365 4.884 4.527 -0.013 0.000 0.337 55 F C 0.770 176.222 175.800 -0.581 0.000 1.112 55 F CA -0.246 57.386 58.000 -0.614 0.000 1.192 55 F CB 0.709 39.097 39.000 -1.021 0.000 1.185 55 F HN 0.271 nan 8.300 nan 0.000 0.552 56 I N 3.663 124.177 120.570 -0.093 0.000 2.468 56 I HA 0.375 4.537 4.170 -0.013 0.000 0.285 56 I C -1.072 175.101 176.117 0.094 0.000 1.039 56 I CA -0.906 60.392 61.300 -0.003 0.000 1.074 56 I CB 1.666 39.665 38.000 -0.002 0.000 1.228 56 I HN 0.315 nan 8.210 nan 0.000 0.436 57 V N 2.794 122.760 119.914 0.085 0.000 2.628 57 V HA 0.975 5.087 4.120 -0.013 0.000 0.306 57 V C -0.146 175.980 176.094 0.053 0.000 1.045 57 V CA -0.371 61.971 62.300 0.071 0.000 0.905 57 V CB 1.636 33.319 31.823 -0.234 0.000 0.997 57 V HN 0.802 nan 8.190 nan 0.000 0.436 58 S N 1.526 117.293 115.700 0.112 0.000 2.547 58 S HA 0.809 5.271 4.470 -0.013 0.000 0.270 58 S C -0.642 173.808 174.600 -0.250 0.000 1.150 58 S CA -0.369 57.820 58.200 -0.018 0.000 0.850 58 S CB 1.808 64.992 63.200 -0.027 0.000 1.118 58 S HN 1.497 nan 8.310 nan 0.000 0.461 59 T N 0.096 114.404 114.554 -0.409 0.000 2.916 59 T HA 0.761 5.104 4.350 -0.013 0.000 0.305 59 T C 0.152 174.683 174.700 -0.281 0.000 1.119 59 T CA 0.950 62.706 62.100 -0.573 0.000 1.008 59 T CB 0.788 68.935 68.868 -1.200 0.000 1.129 59 T HN 2.561 nan 8.240 nan 0.000 0.480 60 G N 4.206 112.886 108.800 -0.200 0.000 2.795 60 G HA2 -0.083 3.869 3.960 -0.013 0.000 0.664 60 G HA3 -0.083 3.869 3.960 -0.013 0.000 0.664 60 G C -1.821 173.016 174.900 -0.105 0.000 1.381 60 G CA -0.157 44.903 45.100 -0.067 0.000 0.853 60 G HN 0.669 nan 8.290 nan 0.000 0.545 61 P HA 0.065 nan 4.420 nan 0.000 0.231 61 P C -0.049 176.858 177.300 -0.655 0.000 1.168 61 P CA 1.260 64.104 63.100 -0.427 0.000 0.779 61 P CB 0.127 31.494 31.700 -0.556 0.000 0.844 62 Y N 0.110 120.390 120.300 -0.033 0.000 2.511 62 Y HA 0.417 4.959 4.550 -0.014 0.000 0.356 62 Y C -2.370 173.511 175.900 -0.033 0.000 1.002 62 Y CA -3.147 54.931 58.100 -0.036 0.000 1.127 62 Y CB 0.035 38.467 38.460 -0.047 0.000 1.137 62 Y HN -0.084 nan 8.280 nan 0.000 0.652 63 P HA -0.018 nan 4.420 nan 0.000 0.260 63 P C -0.037 177.298 177.300 0.057 0.000 1.185 63 P CA 0.586 63.702 63.100 0.027 0.000 0.763 63 P CB 0.766 32.464 31.700 -0.003 0.000 0.776 64 S N 2.327 118.061 115.700 0.056 0.000 2.672 64 S HA 0.242 4.704 4.470 -0.013 0.000 0.291 64 S C 0.874 175.512 174.600 0.064 0.000 1.145 64 S CA -0.579 57.655 58.200 0.057 0.000 1.013 64 S CB 0.828 64.058 63.200 0.051 0.000 1.017 64 S HN 0.208 nan 8.310 nan 0.000 0.487 65 E N 2.425 122.664 120.200 0.066 0.000 2.077 65 E HA -0.075 4.267 4.350 -0.013 0.000 0.193 65 E C 1.843 178.492 176.600 0.081 0.000 0.989 65 E CA 1.827 58.276 56.400 0.082 0.000 0.800 65 E CB -0.091 29.657 29.700 0.081 0.000 0.746 65 E HN 0.620 nan 8.360 nan 0.000 0.452 66 S N 0.153 115.890 115.700 0.061 0.000 2.399 66 S HA -0.114 4.348 4.470 -0.013 0.000 0.231 66 S C 1.835 176.466 174.600 0.052 0.000 1.022 66 S CA 0.996 59.227 58.200 0.052 0.000 0.983 66 S CB -0.092 63.129 63.200 0.035 0.000 0.803 66 S HN 0.389 nan 8.310 nan 0.000 0.480 67 A N 0.314 123.165 122.820 0.053 0.000 2.275 67 A HA 0.454 4.766 4.320 -0.013 0.000 0.212 67 A C 0.935 178.565 177.584 0.077 0.000 1.201 67 A CA -0.046 52.020 52.037 0.049 0.000 0.843 67 A CB -0.524 18.496 19.000 0.033 0.000 0.873 67 A HN 0.387 nan 8.150 nan 0.000 0.492 68 M N -0.941 118.724 119.600 0.107 0.000 2.818 68 M HA -0.181 4.292 4.480 -0.013 0.000 0.194 68 M C 0.917 177.329 176.300 0.186 0.000 0.586 68 M CA 1.292 56.692 55.300 0.167 0.000 0.664 68 M CB -2.542 30.166 32.600 0.180 0.000 2.418 68 M HN 0.634 nan 8.290 nan 0.000 0.517 69 T N -2.827 111.796 114.554 0.115 0.000 3.105 69 T HA 0.383 4.725 4.350 -0.013 0.000 0.253 69 T C 0.167 174.894 174.700 0.045 0.000 1.047 69 T CA -0.021 62.120 62.100 0.067 0.000 0.944 69 T CB 0.708 69.586 68.868 0.017 0.000 1.016 69 T HN 0.517 nan 8.240 nan 0.000 0.544 70 K N 0.212 120.660 120.400 0.080 0.000 2.557 70 K HA 0.651 4.963 4.320 -0.013 0.000 0.261 70 K C -2.249 174.382 176.600 0.052 0.000 0.932 70 K CA -0.743 55.573 56.287 0.049 0.000 0.829 70 K CB 2.130 34.657 32.500 0.044 0.000 1.358 70 K HN 0.130 nan 8.250 nan 0.000 0.430 71 A N 2.559 125.381 122.820 0.003 0.000 2.459 71 A HA 0.598 4.910 4.320 -0.013 0.000 0.296 71 A C -1.664 176.053 177.584 0.222 0.000 1.039 71 A CA -0.635 51.442 52.037 0.066 0.000 0.698 71 A CB 1.800 20.678 19.000 -0.203 0.000 1.261 71 A HN 0.285 nan 8.150 nan 0.000 0.405 72 V N 3.027 123.111 119.914 0.282 0.000 2.409 72 V HA 0.735 4.847 4.120 -0.013 0.000 0.291 72 V C -1.081 175.242 176.094 0.383 0.000 1.020 72 V CA -0.344 62.096 62.300 0.232 0.000 0.848 72 V CB 0.568 32.470 31.823 0.131 0.000 0.990 72 V HN 0.867 nan 8.190 nan 0.000 0.430 73 F N 4.840 124.894 119.950 0.172 0.000 2.591 73 F HA 0.899 5.418 4.527 -0.013 0.000 0.309 73 F C -3.037 172.902 175.800 0.232 0.000 1.098 73 F CA -3.222 54.893 58.000 0.191 0.000 0.937 73 F CB 1.764 40.894 39.000 0.216 0.000 1.250 73 F HN 0.266 nan 8.300 nan 0.000 0.447 74 P HA 0.248 nan 4.420 nan 0.000 0.281 74 P C -0.877 176.569 177.300 0.244 0.000 1.249 74 P CA -0.429 62.777 63.100 0.177 0.000 0.810 74 P CB 2.360 34.124 31.700 0.108 0.000 1.008 75 L N 2.011 123.369 121.223 0.225 0.000 2.361 75 L HA 0.156 4.488 4.340 -0.013 0.000 0.278 75 L C 0.271 177.223 176.870 0.135 0.000 1.113 75 L CA 0.619 55.600 54.840 0.236 0.000 0.849 75 L CB 0.302 42.506 42.059 0.243 0.000 1.155 75 L HN 0.542 nan 8.230 nan 0.000 0.452 76 S N 2.864 118.633 115.700 0.114 0.000 2.900 76 S HA 0.394 4.856 4.470 -0.013 0.000 0.320 76 S C 0.445 175.075 174.600 0.049 0.000 1.130 76 S CA -0.738 57.505 58.200 0.072 0.000 0.863 76 S CB 1.562 64.805 63.200 0.072 0.000 1.295 76 S HN 0.695 nan 8.310 nan 0.000 0.596 77 N N -0.287 118.433 118.700 0.034 0.000 2.414 77 N HA 0.201 4.934 4.740 -0.013 0.000 0.177 77 N C 0.508 176.028 175.510 0.016 0.000 1.062 77 N CA -0.039 53.023 53.050 0.021 0.000 0.890 77 N CB 0.371 38.867 38.487 0.015 0.000 1.070 77 N HN 0.558 nan 8.380 nan 0.000 0.454 78 G N 0.169 108.980 108.800 0.020 0.000 2.432 78 G HA2 0.360 4.312 3.960 -0.013 0.000 0.331 78 G HA3 0.360 4.312 3.960 -0.013 0.000 0.331 78 G C -1.000 173.909 174.900 0.015 0.000 1.170 78 G CA -0.262 44.846 45.100 0.013 0.000 0.943 78 G HN -0.059 nan 8.290 nan 0.000 0.483 79 S N 0.233 115.934 115.700 0.002 0.000 2.513 79 S HA 0.501 4.963 4.470 -0.013 0.000 0.276 79 S C 0.843 175.440 174.600 -0.005 0.000 1.254 79 S CA -0.375 57.820 58.200 -0.008 0.000 1.053 79 S CB 0.959 64.142 63.200 -0.028 0.000 0.958 79 S HN 0.736 nan 8.310 nan 0.000 0.491 80 S N 3.387 119.088 115.700 0.000 0.000 2.552 80 S HA 0.637 5.099 4.470 -0.013 0.000 0.271 80 S C 1.280 175.866 174.600 -0.023 0.000 1.168 80 S CA 0.010 58.213 58.200 0.005 0.000 1.026 80 S CB 0.117 63.339 63.200 0.037 0.000 1.120 80 S HN 0.893 nan 8.310 nan 0.000 0.514 81 G N 0.222 109.013 108.800 -0.016 0.000 2.535 81 G HA2 0.343 4.295 3.960 -0.013 0.000 0.210 81 G HA3 0.343 4.295 3.960 -0.013 0.000 0.210 81 G C 1.143 175.997 174.900 -0.077 0.000 1.593 81 G CA 0.484 45.564 45.100 -0.034 0.000 0.948 81 G HN 0.910 nan 8.290 nan 0.000 0.476 82 G N 0.012 108.780 108.800 -0.053 0.000 2.470 82 G HA2 -0.008 3.944 3.960 -0.013 0.000 0.173 82 G HA3 -0.008 3.944 3.960 -0.013 0.000 0.173 82 G C -0.089 174.662 174.900 -0.248 0.000 1.515 82 G CA 0.229 45.265 45.100 -0.107 0.000 0.889 82 G HN 0.347 nan 8.290 nan 0.000 0.467 83 W N 0.934 122.066 121.300 -0.280 0.000 2.272 83 W HA 0.532 5.184 4.660 -0.014 0.000 0.318 83 W C 0.509 176.561 176.519 -0.778 0.000 1.255 83 W CA 0.157 57.100 57.345 -0.669 0.000 1.200 83 W CB 1.227 30.091 29.460 -0.994 0.000 1.170 83 W HN 0.588 nan 8.180 nan 0.000 0.549 84 S N 1.397 116.780 115.700 -0.528 0.000 2.596 84 S HA 0.916 5.378 4.470 -0.013 0.000 0.270 84 S C -1.205 173.433 174.600 0.063 0.000 1.155 84 S CA -1.139 56.992 58.200 -0.115 0.000 0.827 84 S CB 1.822 64.991 63.200 -0.052 0.000 1.130 84 S HN 0.934 nan 8.310 nan 0.000 0.467 85 A N 1.011 123.964 122.820 0.223 0.000 2.402 85 A HA 0.728 5.041 4.320 -0.013 0.000 0.291 85 A C -1.250 176.364 177.584 0.050 0.000 1.051 85 A CA -0.673 51.400 52.037 0.061 0.000 0.716 85 A CB 1.395 20.397 19.000 0.003 0.000 1.223 85 A HN 1.119 nan 8.150 nan 0.000 0.425 86 V N 3.038 122.939 119.914 -0.020 0.000 2.495 86 V HA 0.380 4.492 4.120 -0.013 0.000 0.298 86 V C -0.360 175.732 176.094 -0.003 0.000 1.031 86 V CA -0.583 61.717 62.300 0.000 0.000 0.871 86 V CB 1.564 33.377 31.823 -0.017 0.000 0.988 86 V HN 0.837 nan 8.190 nan 0.000 0.432 87 L N 5.217 126.452 121.223 0.021 0.000 2.363 87 L HA 0.293 4.625 4.340 -0.013 0.000 0.286 87 L C 1.192 178.064 176.870 0.002 0.000 1.106 87 L CA 0.861 55.712 54.840 0.018 0.000 0.859 87 L CB 0.653 42.731 42.059 0.031 0.000 1.223 87 L HN 0.736 nan 8.230 nan 0.000 0.446 88 Q N 4.008 123.802 119.800 -0.010 0.000 2.212 88 Q HA 0.345 4.677 4.340 -0.013 0.000 0.199 88 Q C 0.156 176.149 176.000 -0.012 0.000 0.950 88 Q CA 0.891 56.686 55.803 -0.013 0.000 0.863 88 Q CB 0.255 28.980 28.738 -0.020 0.000 0.944 88 Q HN 0.794 nan 8.270 nan 0.000 0.465 89 A N -0.098 122.714 122.820 -0.013 0.000 2.608 89 A HA 0.586 4.898 4.320 -0.013 0.000 0.292 89 A C -1.325 176.252 177.584 -0.012 0.000 1.066 89 A CA -0.640 51.389 52.037 -0.014 0.000 0.676 89 A CB 1.823 20.811 19.000 -0.020 0.000 1.277 89 A HN -0.039 nan 8.150 nan 0.000 0.413 90 S N 1.690 117.383 115.700 -0.011 0.000 2.707 90 S HA 0.562 5.024 4.470 -0.013 0.000 0.303 90 S C -1.071 173.521 174.600 -0.013 0.000 1.132 90 S CA -0.682 57.512 58.200 -0.010 0.000 1.046 90 S CB 0.808 64.004 63.200 -0.006 0.000 1.004 90 S HN 0.555 nan 8.310 nan 0.000 0.483 91 N N 2.432 121.122 118.700 -0.016 0.000 2.569 91 N HA 0.472 5.204 4.740 -0.013 0.000 0.254 91 N C 0.719 176.220 175.510 -0.016 0.000 1.004 91 N CA 0.101 53.141 53.050 -0.017 0.000 0.904 91 N CB 1.669 40.144 38.487 -0.021 0.000 1.165 91 N HN 0.870 nan 8.380 nan 0.000 0.513 92 G N 3.340 112.132 108.800 -0.013 0.000 2.565 92 G HA2 -0.364 3.588 3.960 -0.013 0.000 0.295 92 G HA3 -0.364 3.588 3.960 -0.013 0.000 0.295 92 G C 0.474 175.366 174.900 -0.013 0.000 1.165 92 G CA 0.004 45.096 45.100 -0.013 0.000 0.977 92 G HN 0.552 nan 8.290 nan 0.000 0.546 93 N N 1.516 120.206 118.700 -0.015 0.000 2.270 93 N HA 0.192 4.924 4.740 -0.013 0.000 0.198 93 N C 0.194 175.691 175.510 -0.020 0.000 1.117 93 N CA 0.900 53.940 53.050 -0.017 0.000 0.845 93 N CB 0.551 39.028 38.487 -0.017 0.000 0.980 93 N HN 0.510 nan 8.380 nan 0.000 0.486 94 T N 1.654 116.195 114.554 -0.022 0.000 2.767 94 T HA 0.455 4.797 4.350 -0.013 0.000 0.288 94 T C 0.341 175.027 174.700 -0.023 0.000 0.963 94 T CA -0.367 61.717 62.100 -0.027 0.000 1.019 94 T CB 1.315 70.165 68.868 -0.031 0.000 0.923 94 T HN -0.053 nan 8.240 nan 0.000 0.468 95 L N 3.170 124.379 121.223 -0.023 0.000 2.296 95 L HA 0.441 4.773 4.340 -0.013 0.000 0.286 95 L C 0.376 177.233 176.870 -0.022 0.000 1.023 95 L CA -0.822 54.011 54.840 -0.012 0.000 0.812 95 L CB 1.366 43.429 42.059 0.008 0.000 1.223 95 L HN 0.547 nan 8.230 nan 0.000 0.421 96 T N 4.694 119.234 114.554 -0.024 0.000 2.738 96 T HA 0.582 4.924 4.350 -0.013 0.000 0.298 96 T C -0.047 174.634 174.700 -0.032 0.000 0.962 96 T CA -0.098 61.980 62.100 -0.037 0.000 0.972 96 T CB 0.345 69.188 68.868 -0.041 0.000 0.928 96 T HN 0.273 nan 8.240 nan 0.000 0.474 97 I N 2.101 122.643 120.570 -0.047 0.000 2.509 97 I HA 0.429 4.591 4.170 -0.013 0.000 0.293 97 I C 0.236 176.273 176.117 -0.134 0.000 1.020 97 I CA -0.811 60.447 61.300 -0.071 0.000 1.088 97 I CB 2.099 40.065 38.000 -0.057 0.000 1.267 97 I HN 0.446 nan 8.210 nan 0.000 0.430 98 S N 6.813 122.425 115.700 -0.146 0.000 2.438 98 S HA 0.652 5.115 4.470 -0.013 0.000 0.316 98 S C -0.650 173.762 174.600 -0.314 0.000 1.084 98 S CA -0.476 57.606 58.200 -0.196 0.000 1.107 98 S CB 0.270 63.406 63.200 -0.107 0.000 0.981 98 S HN 0.408 nan 8.310 nan 0.000 0.466 99 I N 3.519 123.736 120.570 -0.588 0.000 2.441 99 I HA 0.477 4.639 4.170 -0.013 0.000 0.295 99 I C 0.190 175.900 176.117 -0.677 0.000 0.994 99 I CA -0.500 60.390 61.300 -0.684 0.000 1.144 99 I CB 2.100 39.502 38.000 -0.997 0.000 1.314 99 I HN 0.523 nan 8.210 nan 0.000 0.445 100 S N 3.280 118.755 115.700 -0.374 0.000 2.599 100 S HA 0.750 5.212 4.470 -0.013 0.000 0.287 100 S C -0.627 173.681 174.600 -0.485 0.000 1.105 100 S CA -0.492 57.529 58.200 -0.298 0.000 0.899 100 S CB 1.674 64.738 63.200 -0.227 0.000 1.100 100 S HN 0.717 nan 8.310 nan 0.000 0.482 101 S N 2.580 117.894 115.700 -0.643 0.000 2.638 101 S HA 0.797 5.259 4.470 -0.013 0.000 0.302 101 S C -3.127 171.003 174.600 -0.784 0.000 1.096 101 S CA -1.509 55.865 58.200 -1.376 0.000 0.953 101 S CB 1.624 63.892 63.200 -1.553 0.000 1.107 101 S HN 0.581 nan 8.310 nan 0.000 0.503 102 P HA 0.325 nan 4.420 nan 0.000 0.282 102 P C 0.322 177.502 177.300 -0.199 0.000 1.249 102 P CA -0.472 62.424 63.100 -0.340 0.000 0.806 102 P CB 1.208 32.775 31.700 -0.223 0.000 0.984 103 A N 2.497 125.259 122.820 -0.098 0.000 2.216 103 A HA -0.085 4.227 4.320 -0.013 0.000 0.214 103 A C 1.665 179.272 177.584 0.037 0.000 1.160 103 A CA 1.590 53.618 52.037 -0.016 0.000 0.725 103 A CB -1.116 17.887 19.000 0.006 0.000 0.784 103 A HN 0.625 nan 8.150 nan 0.000 0.472 104 S N -1.162 114.552 115.700 0.023 0.000 2.568 104 S HA 0.611 5.073 4.470 -0.013 0.000 0.232 104 S C 0.663 175.317 174.600 0.090 0.000 0.975 104 S CA 0.185 58.427 58.200 0.070 0.000 0.949 104 S CB -0.365 62.871 63.200 0.060 0.000 0.829 104 S HN 0.734 nan 8.310 nan 0.000 0.479 105 A N 2.680 125.542 122.820 0.070 0.000 2.445 105 A HA 0.586 4.898 4.320 -0.013 0.000 0.242 105 A C -2.630 175.056 177.584 0.170 0.000 1.075 105 A CA -1.292 50.844 52.037 0.165 0.000 0.777 105 A CB -0.363 18.717 19.000 0.133 0.000 1.013 105 A HN 0.327 nan 8.150 nan 0.000 0.493 106 P HA 0.272 nan 4.420 nan 0.000 0.275 106 P C -0.163 177.232 177.300 0.158 0.000 1.227 106 P CA -0.075 63.114 63.100 0.148 0.000 0.781 106 P CB 0.507 32.287 31.700 0.135 0.000 0.906 107 I N -0.437 120.096 120.570 -0.063 0.000 2.886 107 I HA 0.839 5.001 4.170 -0.013 0.000 0.299 107 I C 0.668 176.791 176.117 0.009 0.000 1.044 107 I CA -0.250 60.992 61.300 -0.098 0.000 1.310 107 I CB 0.559 38.269 38.000 -0.484 0.000 1.441 107 I HN 0.603 nan 8.210 nan 0.000 0.578 108 G N 2.996 111.822 108.800 0.043 0.000 2.315 108 G HA2 0.041 3.993 3.960 -0.013 0.000 0.296 108 G HA3 0.041 3.993 3.960 -0.013 0.000 0.296 108 G C -1.124 173.772 174.900 -0.007 0.000 1.289 108 G CA -1.127 43.959 45.100 -0.024 0.000 0.996 108 G HN 0.813 nan 8.290 nan 0.000 0.487 109 R N -0.369 120.055 120.500 -0.127 0.000 2.340 109 R HA 0.566 4.898 4.340 -0.013 0.000 0.300 109 R C -1.003 175.121 176.300 -0.293 0.000 1.069 109 R CA -0.061 55.938 56.100 -0.169 0.000 0.984 109 R CB 0.684 30.886 30.300 -0.163 0.000 1.003 109 R HN 0.459 nan 8.270 nan 0.000 0.459 110 Y N -0.188 119.770 120.300 -0.570 0.000 2.598 110 Y HA 0.355 4.897 4.550 -0.014 0.000 0.340 110 Y C 0.399 175.980 175.900 -0.532 0.000 1.038 110 Y CA -0.602 57.111 58.100 -0.645 0.000 1.100 110 Y CB 2.538 40.317 38.460 -1.135 0.000 1.281 110 Y HN 0.420 nan 8.280 nan 0.000 0.488 111 T N 3.217 117.705 114.554 -0.109 0.000 2.856 111 T HA 0.525 4.867 4.350 -0.013 0.000 0.283 111 T C -1.056 173.740 174.700 0.161 0.000 1.008 111 T CA -0.710 61.390 62.100 -0.001 0.000 0.997 111 T CB 0.950 69.812 68.868 -0.009 0.000 0.992 111 T HN 0.528 nan 8.240 nan 0.000 0.454 112 M N 3.058 122.825 119.600 0.278 0.000 2.253 112 M HA 0.731 5.203 4.480 -0.013 0.000 0.314 112 M C -1.238 175.235 176.300 0.287 0.000 1.019 112 M CA -0.588 54.947 55.300 0.392 0.000 0.932 112 M CB 0.971 33.962 32.600 0.651 0.000 1.606 112 M HN 0.757 nan 8.290 nan 0.000 0.430 113 A N 4.104 127.036 122.820 0.187 0.000 2.430 113 A HA 0.908 5.220 4.320 -0.013 0.000 0.300 113 A C -2.059 175.521 177.584 -0.007 0.000 1.124 113 A CA -0.739 51.350 52.037 0.087 0.000 0.766 113 A CB 1.813 20.835 19.000 0.036 0.000 1.328 113 A HN 0.810 nan 8.150 nan 0.000 0.424 114 L N 0.108 121.273 121.223 -0.097 0.000 2.386 114 L HA 0.608 4.940 4.340 -0.013 0.000 0.271 114 L C -0.380 176.360 176.870 -0.218 0.000 0.993 114 L CA -0.102 54.579 54.840 -0.266 0.000 0.819 114 L CB 2.040 43.893 42.059 -0.343 0.000 1.294 114 L HN 0.810 nan 8.230 nan 0.000 0.414 115 Q N 4.622 124.277 119.800 -0.242 0.000 2.322 115 Q HA 0.617 4.949 4.340 -0.013 0.000 0.265 115 Q C -1.631 174.235 176.000 -0.224 0.000 0.985 115 Q CA -0.518 55.150 55.803 -0.224 0.000 0.849 115 Q CB 1.425 30.053 28.738 -0.184 0.000 1.274 115 Q HN 0.733 nan 8.270 nan 0.000 0.449 116 I N 4.072 124.483 120.570 -0.264 0.000 2.406 116 I HA 0.320 4.483 4.170 -0.013 0.000 0.290 116 I C -0.983 174.983 176.117 -0.251 0.000 0.999 116 I CA -0.741 60.456 61.300 -0.172 0.000 1.124 116 I CB 1.154 39.077 38.000 -0.128 0.000 1.289 116 I HN 0.590 nan 8.210 nan 0.000 0.441 117 F N 4.740 124.652 119.950 -0.064 0.000 2.334 117 F HA 0.438 4.957 4.527 -0.013 0.000 0.367 117 F C 0.564 176.341 175.800 -0.038 0.000 1.115 117 F CA -0.181 57.792 58.000 -0.044 0.000 1.116 117 F CB 1.337 40.315 39.000 -0.037 0.000 1.230 117 F HN 0.341 nan 8.300 nan 0.000 0.484 118 S N 2.456 118.204 115.700 0.079 0.000 2.536 118 S HA 0.318 4.781 4.470 -0.013 0.000 0.271 118 S C -0.658 173.959 174.600 0.028 0.000 1.134 118 S CA -0.583 57.645 58.200 0.047 0.000 0.897 118 S CB 1.113 64.319 63.200 0.010 0.000 1.094 118 S HN 0.691 nan 8.310 nan 0.000 0.473 119 Q N 2.093 121.909 119.800 0.027 0.000 2.435 119 Q HA -0.228 4.105 4.340 -0.013 0.000 0.312 119 Q C 0.945 176.956 176.000 0.020 0.000 1.333 119 Q CA 0.970 56.783 55.803 0.017 0.000 0.883 119 Q CB -1.974 26.767 28.738 0.005 0.000 1.170 119 Q HN 1.692 nan 8.270 nan 0.000 0.443 120 G N -2.403 106.419 108.800 0.037 0.000 2.189 120 G HA2 -0.291 3.661 3.960 -0.013 0.000 0.267 120 G HA3 -0.291 3.661 3.960 -0.013 0.000 0.267 120 G C 0.347 175.267 174.900 0.034 0.000 0.975 120 G CA 0.308 45.432 45.100 0.040 0.000 0.644 120 G HN 0.949 nan 8.290 nan 0.000 0.537 121 G N -1.162 107.648 108.800 0.017 0.000 3.042 121 G HA2 0.780 4.732 3.960 -0.013 0.000 0.278 121 G HA3 0.780 4.732 3.960 -0.013 0.000 0.278 121 G C -0.890 173.959 174.900 -0.085 0.000 1.371 121 G CA -0.950 44.136 45.100 -0.023 0.000 1.009 121 G HN 0.686 nan 8.290 nan 0.000 0.523 122 I N 0.772 121.247 120.570 -0.158 0.000 2.569 122 I HA 0.440 4.602 4.170 -0.013 0.000 0.290 122 I C -0.206 175.769 176.117 -0.235 0.000 1.088 122 I CA -0.733 60.375 61.300 -0.321 0.000 1.047 122 I CB 2.494 40.228 38.000 -0.444 0.000 1.237 122 I HN 0.611 nan 8.210 nan 0.000 0.421 123 S N 3.271 118.823 115.700 -0.246 0.000 2.599 123 S HA 0.795 5.257 4.470 -0.013 0.000 0.294 123 S C -0.795 173.695 174.600 -0.182 0.000 1.094 123 S CA -0.716 57.383 58.200 -0.169 0.000 0.931 123 S CB 2.231 65.357 63.200 -0.123 0.000 1.093 123 S HN 0.552 nan 8.310 nan 0.000 0.488 124 S N 0.022 115.643 115.700 -0.131 0.000 2.549 124 S HA 0.829 5.291 4.470 -0.013 0.000 0.280 124 S C -1.584 172.969 174.600 -0.079 0.000 1.109 124 S CA -0.542 57.587 58.200 -0.117 0.000 0.905 124 S CB 1.509 64.648 63.200 -0.103 0.000 1.081 124 S HN 1.497 nan 8.310 nan 0.000 0.477 125 V N 4.045 123.919 119.914 -0.067 0.000 3.000 125 V HA 0.556 4.669 4.120 -0.013 0.000 0.300 125 V C -1.164 174.929 176.094 -0.001 0.000 1.251 125 V CA -0.834 61.446 62.300 -0.033 0.000 0.972 125 V CB 2.109 33.910 31.823 -0.036 0.000 1.065 125 V HN 0.969 nan 8.190 nan 0.000 0.431 126 K N 4.731 125.149 120.400 0.030 0.000 2.276 126 K HA 0.463 4.775 4.320 -0.013 0.000 0.283 126 K C 0.327 177.005 176.600 0.130 0.000 1.044 126 K CA -0.412 55.921 56.287 0.076 0.000 0.944 126 K CB 1.227 33.766 32.500 0.066 0.000 1.012 126 K HN 0.759 nan 8.250 nan 0.000 0.472 127 L N 2.673 124.027 121.223 0.219 0.000 2.202 127 L HA 0.251 4.583 4.340 -0.013 0.000 0.205 127 L C 1.170 178.366 176.870 0.542 0.000 1.083 127 L CA 0.635 55.687 54.840 0.352 0.000 0.790 127 L CB 0.089 42.404 42.059 0.427 0.000 0.942 127 L HN 0.996 nan 8.230 nan 0.000 0.452 128 G N -0.761 108.293 108.800 0.423 0.000 2.351 128 G HA2 0.276 4.228 3.960 -0.013 0.000 0.279 128 G HA3 0.276 4.228 3.960 -0.013 0.000 0.279 128 G C -1.181 173.767 174.900 0.080 0.000 1.297 128 G CA -0.043 45.195 45.100 0.231 0.000 0.886 128 G HN 0.016 nan 8.290 nan 0.000 0.493 129 T N -1.944 112.556 114.554 -0.090 0.000 2.901 129 T HA 0.914 5.256 4.350 -0.013 0.000 0.293 129 T C -0.683 173.958 174.700 -0.098 0.000 1.084 129 T CA -0.206 61.848 62.100 -0.077 0.000 1.008 129 T CB 2.201 71.008 68.868 -0.101 0.000 1.170 129 T HN 1.997 nan 8.240 nan 0.000 0.509 130 F N -1.168 118.663 119.950 -0.198 0.000 2.711 130 F HA 0.835 5.354 4.527 -0.014 0.000 0.313 130 F C -1.977 173.759 175.800 -0.107 0.000 1.141 130 F CA -1.825 56.030 58.000 -0.242 0.000 0.941 130 F CB 0.970 39.760 39.000 -0.350 0.000 1.349 130 F HN 0.606 nan 8.300 nan 0.000 0.464 131 I N 2.340 122.925 120.570 0.025 0.000 2.474 131 I HA 0.492 4.654 4.170 -0.013 0.000 0.294 131 I C -1.474 174.693 176.117 0.082 0.000 1.005 131 I CA -0.993 60.290 61.300 -0.029 0.000 1.113 131 I CB 1.955 39.901 38.000 -0.090 0.000 1.289 131 I HN 0.552 nan 8.210 nan 0.000 0.436 132 L N 7.584 128.865 121.223 0.097 0.000 2.333 132 L HA 0.624 4.956 4.340 -0.013 0.000 0.280 132 L C -0.957 175.932 176.870 0.032 0.000 1.004 132 L CA -0.087 54.817 54.840 0.107 0.000 0.820 132 L CB 1.254 43.387 42.059 0.124 0.000 1.247 132 L HN 0.446 nan 8.230 nan 0.000 0.416 133 L N 2.885 124.124 121.223 0.027 0.000 2.271 133 L HA 0.568 4.901 4.340 -0.013 0.000 0.265 133 L C -0.541 176.346 176.870 0.027 0.000 1.013 133 L CA -0.979 53.862 54.840 0.002 0.000 0.820 133 L CB 1.126 43.259 42.059 0.123 0.000 1.352 133 L HN 0.295 nan 8.230 nan 0.000 0.443 134 F N 0.420 120.483 119.950 0.190 0.000 2.496 134 F HA 0.102 4.622 4.527 -0.011 0.000 0.344 134 F C 0.827 176.786 175.800 0.265 0.000 1.155 134 F CA 0.124 58.242 58.000 0.198 0.000 1.302 134 F CB 0.134 39.243 39.000 0.181 0.000 1.159 134 F HN 0.339 nan 8.300 nan 0.000 0.595 135 N N 2.971 121.960 118.700 0.482 0.000 2.696 135 N HA 0.310 5.042 4.740 -0.013 0.000 0.246 135 N C -2.338 173.459 175.510 0.477 0.000 1.057 135 N CA -2.080 51.255 53.050 0.475 0.000 0.867 135 N CB 1.190 39.884 38.487 0.344 0.000 1.141 135 N HN 0.076 nan 8.380 nan 0.000 0.517 136 P HA 0.047 nan 4.420 nan 0.000 0.234 136 P C 0.939 178.294 177.300 0.092 0.000 1.167 136 P CA 0.643 63.830 63.100 0.145 0.000 0.763 136 P CB 0.163 31.766 31.700 -0.161 0.000 0.835 137 W N -1.270 120.158 121.300 0.212 0.000 2.863 137 W HA 0.220 4.873 4.660 -0.011 0.000 0.258 137 W C 0.316 177.048 176.519 0.355 0.000 1.298 137 W CA -0.213 57.262 57.345 0.217 0.000 1.451 137 W CB 0.067 29.577 29.460 0.083 0.000 1.107 137 W HN -0.067 nan 8.180 nan 0.000 0.641 138 L N 2.234 123.771 121.223 0.524 0.000 2.257 138 L HA 0.132 4.464 4.340 -0.013 0.000 0.290 138 L C 1.337 178.162 176.870 -0.075 0.000 1.044 138 L CA 0.212 55.187 54.840 0.225 0.000 0.810 138 L CB 0.347 42.506 42.059 0.167 0.000 1.193 138 L HN 0.080 nan 8.230 nan 0.000 0.425 139 N N 2.836 121.148 118.700 -0.646 0.000 2.247 139 N HA -0.224 4.508 4.740 -0.013 0.000 0.189 139 N C 0.891 176.069 175.510 -0.554 0.000 1.009 139 N CA 1.481 53.716 53.050 -1.359 0.000 0.872 139 N CB -0.294 37.643 38.487 -0.917 0.000 0.980 139 N HN 0.568 nan 8.380 nan 0.000 0.436 140 V N -3.414 116.362 119.914 -0.230 0.000 3.608 140 V HA 0.088 4.200 4.120 -0.013 0.000 0.269 140 V C 0.539 176.643 176.094 0.017 0.000 1.245 140 V CA -0.007 62.241 62.300 -0.086 0.000 1.138 140 V CB -0.489 31.297 31.823 -0.061 0.000 0.841 140 V HN 0.122 nan 8.190 nan 0.000 0.451 141 D N 1.702 122.151 120.400 0.081 0.000 2.345 141 D HA 0.114 4.747 4.640 -0.013 0.000 0.247 141 D C 1.560 177.974 176.300 0.191 0.000 1.108 141 D CA 0.960 55.061 54.000 0.168 0.000 0.894 141 D CB 2.162 43.111 40.800 0.249 0.000 1.203 141 D HN 0.389 nan 8.370 nan 0.000 0.430 142 S N 1.679 117.475 115.700 0.160 0.000 2.440 142 S HA -0.177 4.285 4.470 -0.013 0.000 0.238 142 S C 1.736 176.426 174.600 0.150 0.000 1.010 142 S CA 1.185 59.460 58.200 0.125 0.000 0.972 142 S CB -0.540 62.706 63.200 0.076 0.000 0.774 142 S HN 0.457 nan 8.310 nan 0.000 0.501 143 V N -2.191 117.832 119.914 0.180 0.000 3.514 143 V HA 0.447 4.559 4.120 -0.013 0.000 0.301 143 V C 0.502 176.782 176.094 0.309 0.000 1.346 143 V CA -0.976 61.451 62.300 0.211 0.000 1.156 143 V CB -1.737 30.151 31.823 0.108 0.000 1.029 143 V HN 0.324 nan 8.190 nan 0.000 0.428 144 F N 2.590 122.640 119.950 0.167 0.000 2.623 144 F HA 0.327 4.848 4.527 -0.010 0.000 0.383 144 F C 0.131 176.058 175.800 0.212 0.000 1.077 144 F CA 0.070 58.157 58.000 0.145 0.000 1.268 144 F CB 0.486 39.555 39.000 0.114 0.000 1.053 144 F HN 0.281 nan 8.300 nan 0.000 0.571 145 M N 7.036 126.151 119.600 -0.809 0.000 2.067 145 M HA 0.339 4.811 4.480 -0.013 0.000 0.286 145 M C 0.661 176.230 176.300 -1.220 0.000 0.922 145 M CA -0.209 54.552 55.300 -0.898 0.000 0.937 145 M CB 1.309 33.426 32.600 -0.804 0.000 1.550 145 M HN 0.751 nan 8.290 nan 0.000 0.433 146 G N 3.502 111.564 108.800 -1.230 0.000 2.422 146 G HA2 -0.158 3.795 3.960 -0.013 0.000 0.218 146 G HA3 -0.158 3.795 3.960 -0.013 0.000 0.218 146 G C 0.591 175.296 174.900 -0.325 0.000 1.140 146 G CA 0.096 44.770 45.100 -0.710 0.000 0.775 146 G HN 0.716 nan 8.290 nan 0.000 0.545 147 N N -0.051 118.449 118.700 -0.333 0.000 2.470 147 N HA 0.023 4.756 4.740 -0.013 0.000 0.268 147 N C 1.075 176.455 175.510 -0.218 0.000 1.136 147 N CA -0.257 52.670 53.050 -0.206 0.000 0.961 147 N CB 0.905 39.276 38.487 -0.194 0.000 1.067 147 N HN 0.255 nan 8.380 nan 0.000 0.468 148 H N 4.579 123.540 119.070 -0.181 0.000 2.267 148 H HA -0.136 4.414 4.556 -0.009 0.000 0.297 148 H C 1.771 176.992 175.328 -0.178 0.000 1.080 148 H CA 2.872 58.823 56.048 -0.162 0.000 1.278 148 H CB -0.048 29.670 29.762 -0.074 0.000 1.365 148 H HN 0.733 nan 8.280 nan 0.000 0.489 149 A N 0.604 123.305 122.820 -0.199 0.000 1.908 149 A HA -0.222 4.090 4.320 -0.013 0.000 0.218 149 A C 2.290 179.656 177.584 -0.363 0.000 1.181 149 A CA 1.999 53.884 52.037 -0.253 0.000 0.627 149 A CB -0.590 18.347 19.000 -0.105 0.000 0.818 149 A HN 0.728 nan 8.150 nan 0.000 0.445 150 E N -0.953 119.037 120.200 -0.350 0.000 2.047 150 E HA -0.191 4.151 4.350 -0.013 0.000 0.191 150 E C 2.339 178.647 176.600 -0.487 0.000 0.987 150 E CA 1.036 57.160 56.400 -0.460 0.000 0.799 150 E CB -0.213 29.332 29.700 -0.258 0.000 0.752 150 E HN 0.581 nan 8.360 nan 0.000 0.449 151 R N 1.013 121.242 120.500 -0.452 0.000 2.091 151 R HA -0.183 4.150 4.340 -0.013 0.000 0.238 151 R C 2.010 178.064 176.300 -0.410 0.000 1.136 151 R CA 1.311 57.118 56.100 -0.487 0.000 0.959 151 R CB 0.049 29.926 30.300 -0.705 0.000 0.856 151 R HN 0.102 nan 8.270 nan 0.000 0.437 152 E N 0.423 120.361 120.200 -0.437 0.000 2.077 152 E HA -0.230 4.112 4.350 -0.013 0.000 0.193 152 E C 1.805 178.285 176.600 -0.199 0.000 0.989 152 E CA 1.413 57.641 56.400 -0.287 0.000 0.800 152 E CB -0.102 29.389 29.700 -0.347 0.000 0.746 152 E HN 0.406 nan 8.360 nan 0.000 0.452 153 E N 0.025 120.026 120.200 -0.331 0.000 2.046 153 E HA -0.151 4.191 4.350 -0.013 0.000 0.190 153 E C 1.529 178.014 176.600 -0.191 0.000 0.982 153 E CA 1.019 57.222 56.400 -0.328 0.000 0.800 153 E CB -0.236 29.095 29.700 -0.616 0.000 0.756 153 E HN 0.234 nan 8.360 nan 0.000 0.449 154 Y N -0.917 119.343 120.300 -0.067 0.000 2.546 154 Y HA 0.164 4.706 4.550 -0.013 0.000 0.287 154 Y C 1.666 177.538 175.900 -0.046 0.000 1.158 154 Y CA 0.167 58.245 58.100 -0.037 0.000 1.307 154 Y CB 0.334 38.810 38.460 0.027 0.000 1.036 154 Y HN -0.010 nan 8.280 nan 0.000 0.532 155 V N -1.662 118.293 119.914 0.069 0.000 3.103 155 V HA -0.013 4.099 4.120 -0.013 0.000 0.229 155 V C 1.656 177.859 176.094 0.182 0.000 1.304 155 V CA 0.473 62.833 62.300 0.100 0.000 1.298 155 V CB 0.172 32.015 31.823 0.033 0.000 1.093 155 V HN 0.037 nan 8.190 nan 0.000 0.489 156 Q N 0.396 120.308 119.800 0.188 0.000 2.398 156 Q HA 0.096 4.429 4.340 -0.013 0.000 0.204 156 Q C 0.788 176.987 176.000 0.332 0.000 0.932 156 Q CA 0.255 56.255 55.803 0.327 0.000 0.916 156 Q CB 0.210 29.082 28.738 0.223 0.000 1.024 156 Q HN 0.569 nan 8.270 nan 0.000 0.504 157 E N 2.745 123.058 120.200 0.188 0.000 2.257 157 E HA -0.007 4.335 4.350 -0.013 0.000 0.278 157 E C -0.153 176.606 176.600 0.265 0.000 1.049 157 E CA -0.041 56.480 56.400 0.202 0.000 0.876 157 E CB 0.620 30.398 29.700 0.130 0.000 1.035 157 E HN 0.082 nan 8.360 nan 0.000 0.419 158 D N 2.838 123.428 120.400 0.317 0.000 2.363 158 D HA 0.172 4.805 4.640 -0.013 0.000 0.214 158 D C -0.304 176.192 176.300 0.327 0.000 1.093 158 D CA -0.287 53.903 54.000 0.317 0.000 0.837 158 D CB 0.243 41.188 40.800 0.242 0.000 0.948 158 D HN 0.259 nan 8.370 nan 0.000 0.507 159 A N -0.009 122.978 122.820 0.278 0.000 2.331 159 A HA 0.759 5.071 4.320 -0.013 0.000 0.320 159 A C 0.220 177.894 177.584 0.150 0.000 1.138 159 A CA -0.240 51.861 52.037 0.107 0.000 0.790 159 A CB 1.657 20.696 19.000 0.065 0.000 1.206 159 A HN 0.229 nan 8.150 nan 0.000 0.470 160 G N 0.456 109.199 108.800 -0.095 0.000 2.949 160 G HA2 0.664 4.616 3.960 -0.013 0.000 0.285 160 G HA3 0.664 4.616 3.960 -0.013 0.000 0.285 160 G C -1.320 173.542 174.900 -0.064 0.000 1.395 160 G CA -0.544 44.586 45.100 0.049 0.000 0.901 160 G HN 0.531 nan 8.290 nan 0.000 0.519 161 I N 0.502 121.048 120.570 -0.039 0.000 2.569 161 I HA 0.435 4.597 4.170 -0.013 0.000 0.290 161 I C -0.883 175.048 176.117 -0.310 0.000 1.088 161 I CA -0.479 60.685 61.300 -0.226 0.000 1.047 161 I CB 1.766 39.568 38.000 -0.330 0.000 1.237 161 I HN 0.311 nan 8.210 nan 0.000 0.421 162 I N 5.657 126.002 120.570 -0.376 0.000 2.418 162 I HA 0.360 4.522 4.170 -0.013 0.000 0.287 162 I C -0.631 175.183 176.117 -0.505 0.000 1.008 162 I CA -0.580 60.518 61.300 -0.338 0.000 1.104 162 I CB 1.659 39.538 38.000 -0.202 0.000 1.264 162 I HN 0.250 nan 8.210 nan 0.000 0.438 163 F N 6.147 125.991 119.950 -0.178 0.000 2.399 163 F HA 0.493 5.004 4.527 -0.026 0.000 0.342 163 F C 0.678 176.227 175.800 -0.418 0.000 1.106 163 F CA -0.175 57.710 58.000 -0.191 0.000 1.196 163 F CB 1.130 40.098 39.000 -0.053 0.000 1.163 163 F HN 0.221 nan 8.300 nan 0.000 0.547 164 V N -0.656 119.087 119.914 -0.285 0.000 3.109 164 V HA 1.033 5.145 4.120 -0.013 0.000 0.311 164 V C 0.229 176.158 176.094 -0.274 0.000 1.389 164 V CA -0.276 61.512 62.300 -0.855 0.000 1.034 164 V CB 0.910 32.193 31.823 -0.901 0.000 1.105 164 V HN 1.278 nan 8.190 nan 0.000 0.477 165 G N 0.512 109.180 108.800 -0.219 0.000 2.603 165 G HA2 0.248 4.200 3.960 -0.013 0.000 0.245 165 G HA3 0.248 4.200 3.960 -0.013 0.000 0.245 165 G C 0.073 175.229 174.900 0.427 0.000 1.195 165 G CA 0.561 45.747 45.100 0.143 0.000 0.953 165 G HN 2.674 nan 8.290 nan 0.000 0.566 166 S N -2.175 113.713 115.700 0.314 0.000 2.638 166 S HA 0.673 5.135 4.470 -0.013 0.000 0.274 166 S C 1.120 175.710 174.600 -0.017 0.000 1.157 166 S CA 0.874 59.279 58.200 0.342 0.000 0.826 166 S CB 1.219 64.574 63.200 0.258 0.000 1.139 166 S HN 2.401 nan 8.310 nan 0.000 0.474 167 T N -0.650 113.932 114.554 0.046 0.000 2.897 167 T HA -0.121 4.221 4.350 -0.013 0.000 0.271 167 T C 0.941 175.627 174.700 -0.023 0.000 1.084 167 T CA 1.783 63.853 62.100 -0.050 0.000 1.123 167 T CB -1.091 67.865 68.868 0.146 0.000 0.865 167 T HN 0.700 nan 8.240 nan 0.000 0.496 168 N N 0.432 119.132 118.700 -0.000 0.000 2.373 168 N HA 0.151 4.883 4.740 -0.013 0.000 0.181 168 N C 0.799 176.273 175.510 -0.061 0.000 1.082 168 N CA -0.014 53.031 53.050 -0.009 0.000 0.885 168 N CB 0.260 38.766 38.487 0.031 0.000 0.977 168 N HN 0.264 nan 8.380 nan 0.000 0.462 169 R N 1.312 121.761 120.500 -0.086 0.000 3.190 169 R HA 0.228 4.560 4.340 -0.013 0.000 0.244 169 R C -1.653 174.583 176.300 -0.106 0.000 1.788 169 R CA -0.252 55.794 56.100 -0.089 0.000 1.160 169 R CB 0.207 30.490 30.300 -0.029 0.000 1.494 169 R HN 0.020 nan 8.270 nan 0.000 0.499 170 I N 3.016 123.462 120.570 -0.207 0.000 2.471 170 I HA 0.254 4.417 4.170 -0.013 0.000 0.286 170 I C 1.087 177.186 176.117 -0.031 0.000 1.079 170 I CA 0.213 61.408 61.300 -0.176 0.000 1.398 170 I CB 1.301 39.099 38.000 -0.337 0.000 1.403 170 I HN 0.603 nan 8.210 nan 0.000 0.530 171 G N 6.634 115.449 108.800 0.026 0.000 3.016 171 G HA2 0.898 4.851 3.960 -0.013 0.000 0.270 171 G HA3 0.898 4.851 3.960 -0.013 0.000 0.270 171 G C -0.822 174.084 174.900 0.010 0.000 1.352 171 G CA -0.789 44.313 45.100 0.004 0.000 1.060 171 G HN 0.618 nan 8.290 nan 0.000 0.538 172 M N -0.965 118.573 119.600 -0.103 0.000 2.534 172 M HA 0.704 5.176 4.480 -0.013 0.000 0.280 172 M C -1.576 174.580 176.300 -0.240 0.000 1.217 172 M CA -0.963 54.184 55.300 -0.255 0.000 0.893 172 M CB 2.316 34.699 32.600 -0.363 0.000 1.730 172 M HN 0.647 nan 8.290 nan 0.000 0.483 173 I N -0.472 119.931 120.570 -0.279 0.000 2.730 173 I HA 0.948 5.110 4.170 -0.013 0.000 0.298 173 I C -0.112 175.924 176.117 -0.135 0.000 1.089 173 I CA -0.833 60.360 61.300 -0.178 0.000 1.041 173 I CB 2.192 40.090 38.000 -0.170 0.000 1.235 173 I HN 0.855 nan 8.210 nan 0.000 0.423 174 G N 3.937 112.687 108.800 -0.084 0.000 2.507 174 G HA2 0.340 4.292 3.960 -0.013 0.000 0.271 174 G HA3 0.340 4.292 3.960 -0.013 0.000 0.271 174 G C -1.698 173.207 174.900 0.010 0.000 1.189 174 G CA -0.452 44.604 45.100 -0.074 0.000 0.859 174 G HN 0.788 nan 8.290 nan 0.000 0.542 175 W N 2.098 123.216 121.300 -0.304 0.000 3.097 175 W HA 0.326 5.076 4.660 0.150 0.000 0.335 175 W C -1.281 174.915 176.519 -0.538 0.000 1.114 175 W CA -0.965 56.150 57.345 -0.383 0.000 1.231 175 W CB 2.099 31.281 29.460 -0.463 0.000 1.388 175 W HN 0.502 nan 8.180 nan 0.000 0.485 176 N N 4.532 122.798 118.700 -0.724 0.000 2.500 176 N HA 0.176 4.908 4.740 -0.013 0.000 0.236 176 N C 0.384 175.701 175.510 -0.321 0.000 1.022 176 N CA -0.107 52.677 53.050 -0.443 0.000 0.935 176 N CB -0.049 38.243 38.487 -0.326 0.000 1.147 176 N HN 0.306 nan 8.380 nan 0.000 0.512 177 F N 2.228 122.243 119.950 0.108 0.000 2.146 177 F HA 0.088 4.564 4.527 -0.085 0.000 0.298 177 F C 2.073 177.889 175.800 0.026 0.000 1.096 177 F CA 0.525 58.618 58.000 0.155 0.000 1.275 177 F CB -0.271 38.806 39.000 0.128 0.000 1.008 177 F HN 0.630 nan 8.300 nan 0.000 0.480 178 G N 1.369 110.261 108.800 0.154 0.000 2.390 178 G HA2 -0.345 3.608 3.960 -0.013 0.000 0.299 178 G HA3 -0.345 3.608 3.960 -0.013 0.000 0.299 178 G C 1.098 175.993 174.900 -0.008 0.000 1.002 178 G CA 0.675 45.812 45.100 0.062 0.000 0.979 178 G HN 0.540 nan 8.290 nan 0.000 0.513 179 Q N -1.041 118.647 119.800 -0.187 0.000 2.364 179 Q HA -0.047 4.285 4.340 -0.013 0.000 0.209 179 Q C 1.590 177.434 176.000 -0.259 0.000 0.977 179 Q CA 1.423 57.067 55.803 -0.265 0.000 0.885 179 Q CB -0.256 28.224 28.738 -0.430 0.000 0.941 179 Q HN 0.629 nan 8.270 nan 0.000 0.464 180 F N 1.473 121.468 119.950 0.074 0.000 2.727 180 F HA 0.279 4.804 4.527 -0.003 0.000 0.302 180 F C 0.695 176.570 175.800 0.125 0.000 1.097 180 F CA -0.519 57.501 58.000 0.034 0.000 1.330 180 F CB 0.089 39.008 39.000 -0.135 0.000 1.084 180 F HN -0.125 nan 8.300 nan 0.000 0.578 181 E N 1.289 121.621 120.200 0.220 0.000 2.404 181 E HA -0.030 4.312 4.350 -0.013 0.000 0.261 181 E C 0.155 176.853 176.600 0.164 0.000 1.074 181 E CA -0.231 56.269 56.400 0.167 0.000 0.917 181 E CB 0.440 30.205 29.700 0.108 0.000 0.965 181 E HN 0.069 nan 8.360 nan 0.000 0.433 182 E N 1.244 121.521 120.200 0.130 0.000 2.765 182 E HA -0.169 4.173 4.350 -0.013 0.000 0.256 182 E C 0.011 176.669 176.600 0.097 0.000 0.935 182 E CA 0.885 57.351 56.400 0.110 0.000 0.954 182 E CB -0.039 29.709 29.700 0.079 0.000 0.908 182 E HN 0.526 nan 8.360 nan 0.000 0.500 183 D N 2.401 122.858 120.400 0.094 0.000 2.705 183 D HA -0.236 4.396 4.640 -0.013 0.000 0.187 183 D C 0.890 177.242 176.300 0.085 0.000 1.015 183 D CA 1.329 55.373 54.000 0.073 0.000 1.030 183 D CB -0.889 39.944 40.800 0.055 0.000 1.100 183 D HN 0.441 nan 8.370 nan 0.000 0.439 184 I N 0.245 120.882 120.570 0.112 0.000 2.179 184 I HA -0.191 3.972 4.170 -0.013 0.000 0.242 184 I C 2.611 178.793 176.117 0.110 0.000 1.088 184 I CA 1.086 62.455 61.300 0.114 0.000 1.357 184 I CB -1.130 36.943 38.000 0.122 0.000 1.051 184 I HN 0.272 nan 8.210 nan 0.000 0.409 185 L N 0.639 121.936 121.223 0.123 0.000 2.012 185 L HA -0.210 4.122 4.340 -0.013 0.000 0.210 185 L C 2.797 179.668 176.870 0.003 0.000 1.073 185 L CA 2.182 57.046 54.840 0.041 0.000 0.748 185 L CB -0.952 41.028 42.059 -0.133 0.000 0.891 185 L HN 0.180 nan 8.230 nan 0.000 0.431 186 S N -0.622 115.081 115.700 0.004 0.000 2.365 186 S HA -0.211 4.251 4.470 -0.013 0.000 0.225 186 S C 2.061 176.677 174.600 0.027 0.000 1.039 186 S CA 1.878 60.075 58.200 -0.004 0.000 1.033 186 S CB -0.498 62.702 63.200 -0.002 0.000 0.887 186 S HN 0.510 nan 8.310 nan 0.000 0.447 187 I N 0.814 121.424 120.570 0.066 0.000 2.226 187 I HA -0.212 3.951 4.170 -0.013 0.000 0.245 187 I C 2.513 178.712 176.117 0.136 0.000 1.100 187 I CA 1.017 62.392 61.300 0.126 0.000 1.374 187 I CB -0.581 37.517 38.000 0.163 0.000 1.057 187 I HN 0.429 nan 8.210 nan 0.000 0.413 188 C N 0.608 119.961 119.300 0.087 0.000 2.425 188 C HA -0.107 4.345 4.460 -0.013 0.000 0.277 188 C C 2.736 177.754 174.990 0.048 0.000 1.280 188 C CA 0.513 59.569 59.018 0.063 0.000 1.744 188 C CB -0.977 26.801 27.740 0.063 0.000 1.989 188 C HN 0.455 nan 8.230 nan 0.000 0.491 189 L N 1.499 122.738 121.223 0.027 0.000 2.056 189 L HA -0.117 4.215 4.340 -0.013 0.000 0.207 189 L C 2.782 179.643 176.870 -0.014 0.000 1.078 189 L CA 1.880 56.718 54.840 -0.004 0.000 0.749 189 L CB -0.635 41.402 42.059 -0.036 0.000 0.901 189 L HN 0.470 nan 8.230 nan 0.000 0.433 190 S N 0.034 115.740 115.700 0.010 0.000 2.419 190 S HA -0.168 4.294 4.470 -0.013 0.000 0.233 190 S C 1.903 176.530 174.600 0.045 0.000 1.016 190 S CA 0.846 59.045 58.200 -0.002 0.000 0.974 190 S CB -0.691 62.525 63.200 0.026 0.000 0.786 190 S HN 0.374 nan 8.310 nan 0.000 0.492 191 I N 1.620 122.260 120.570 0.117 0.000 2.208 191 I HA -0.203 3.960 4.170 -0.013 0.000 0.245 191 I C 2.334 178.468 176.117 0.027 0.000 1.097 191 I CA 1.411 62.786 61.300 0.126 0.000 1.363 191 I CB -0.537 37.472 38.000 0.015 0.000 1.051 191 I HN 0.326 nan 8.210 nan 0.000 0.413 192 L N 0.136 121.346 121.223 -0.021 0.000 2.131 192 L HA -0.210 4.122 4.340 -0.013 0.000 0.210 192 L C 1.399 178.149 176.870 -0.201 0.000 1.092 192 L CA 1.081 55.897 54.840 -0.040 0.000 0.759 192 L CB -0.692 41.367 42.059 0.000 0.000 0.903 192 L HN 0.289 nan 8.230 nan 0.000 0.435 193 D N -0.110 120.045 120.400 -0.408 0.000 2.336 193 D HA -0.004 4.628 4.640 -0.013 0.000 0.229 193 D C 1.590 177.507 176.300 -0.639 0.000 1.061 193 D CA 0.384 53.752 54.000 -1.052 0.000 0.875 193 D CB 0.270 40.584 40.800 -0.810 0.000 0.904 193 D HN 0.234 nan 8.370 nan 0.000 0.525 194 R N 0.083 120.476 120.500 -0.179 0.000 2.531 194 R HA 0.103 4.435 4.340 -0.013 0.000 0.316 194 R C 0.752 177.127 176.300 0.125 0.000 0.955 194 R CA -0.035 56.086 56.100 0.035 0.000 1.120 194 R CB 0.450 30.832 30.300 0.136 0.000 1.361 194 R HN 0.088 nan 8.270 nan 0.000 0.534 195 S N -0.121 115.652 115.700 0.121 0.000 2.600 195 S HA 0.193 4.656 4.470 -0.013 0.000 0.265 195 S C 1.623 176.323 174.600 0.167 0.000 1.325 195 S CA -0.518 57.758 58.200 0.127 0.000 1.002 195 S CB 0.969 64.222 63.200 0.089 0.000 0.921 195 S HN 0.101 nan 8.310 nan 0.000 0.554 196 L N 1.178 122.470 121.223 0.115 0.000 2.083 196 L HA -0.160 4.173 4.340 -0.013 0.000 0.209 196 L C 2.242 179.184 176.870 0.120 0.000 1.083 196 L CA 1.536 56.439 54.840 0.105 0.000 0.752 196 L CB -1.048 41.051 42.059 0.066 0.000 0.899 196 L HN 0.679 nan 8.230 nan 0.000 0.433 197 N N 0.178 118.956 118.700 0.129 0.000 2.084 197 N HA -0.244 4.489 4.740 -0.013 0.000 0.190 197 N C 1.648 177.278 175.510 0.201 0.000 1.030 197 N CA 1.393 54.542 53.050 0.163 0.000 0.849 197 N CB -0.580 38.029 38.487 0.203 0.000 1.012 197 N HN 0.192 nan 8.380 nan 0.000 0.423 198 F N 1.546 121.558 119.950 0.104 0.000 2.134 198 F HA -0.042 4.477 4.527 -0.012 0.000 0.299 198 F C 2.105 177.954 175.800 0.082 0.000 1.097 198 F CA 1.241 59.300 58.000 0.098 0.000 1.264 198 F CB 0.067 39.118 39.000 0.086 0.000 1.001 198 F HN -0.109 nan 8.300 nan 0.000 0.479 199 R N -0.408 120.221 120.500 0.215 0.000 2.115 199 R HA -0.102 4.230 4.340 -0.013 0.000 0.230 199 R C 2.328 178.639 176.300 0.018 0.000 1.111 199 R CA 1.253 57.420 56.100 0.112 0.000 0.976 199 R CB -0.320 30.068 30.300 0.146 0.000 0.870 199 R HN 0.227 nan 8.270 nan 0.000 0.445 200 R N 0.345 120.864 120.500 0.031 0.000 2.061 200 R HA -0.079 4.254 4.340 -0.013 0.000 0.230 200 R C -0.022 176.258 176.300 -0.034 0.000 1.140 200 R CA 1.576 57.682 56.100 0.010 0.000 0.940 200 R CB 0.253 30.574 30.300 0.036 0.000 0.839 200 R HN -0.023 nan 8.270 nan 0.000 0.429 201 D N -1.528 118.838 120.400 -0.056 0.000 2.381 201 D HA 0.192 4.825 4.640 -0.013 0.000 0.245 201 D C 0.023 176.225 176.300 -0.163 0.000 1.297 201 D CA 0.115 54.057 54.000 -0.097 0.000 0.931 201 D CB 1.281 42.047 40.800 -0.055 0.000 1.334 201 D HN 0.222 nan 8.370 nan 0.000 0.535 202 A N 2.859 125.480 122.820 -0.331 0.000 1.917 202 A HA -0.082 4.230 4.320 -0.013 0.000 0.219 202 A C 2.192 179.683 177.584 -0.155 0.000 1.182 202 A CA 2.234 53.905 52.037 -0.610 0.000 0.633 202 A CB -0.504 17.996 19.000 -0.833 0.000 0.819 202 A HN 0.603 nan 8.150 nan 0.000 0.448 203 A N -1.188 121.630 122.820 -0.002 0.000 1.865 203 A HA -0.149 4.163 4.320 -0.013 0.000 0.217 203 A C 2.342 179.925 177.584 -0.002 0.000 1.191 203 A CA 2.519 54.587 52.037 0.051 0.000 0.623 203 A CB -1.390 17.567 19.000 -0.071 0.000 0.826 203 A HN 0.450 nan 8.150 nan 0.000 0.444 204 T N -0.649 113.881 114.554 -0.039 0.000 2.821 204 T HA -0.106 4.237 4.350 -0.013 0.000 0.267 204 T C 1.655 176.318 174.700 -0.062 0.000 1.046 204 T CA 1.577 63.647 62.100 -0.050 0.000 1.139 204 T CB -0.403 68.436 68.868 -0.049 0.000 0.871 204 T HN 0.711 nan 8.240 nan 0.000 0.454 205 D N 0.912 121.320 120.400 0.013 0.000 2.092 205 D HA -0.110 4.522 4.640 -0.013 0.000 0.193 205 D C 2.038 178.401 176.300 0.106 0.000 0.994 205 D CA 1.024 55.101 54.000 0.128 0.000 0.828 205 D CB -0.271 40.718 40.800 0.314 0.000 0.963 205 D HN 0.147 nan 8.370 nan 0.000 0.450 206 V N 0.651 120.647 119.914 0.136 0.000 2.407 206 V HA -0.207 3.905 4.120 -0.013 0.000 0.248 206 V C 2.523 178.632 176.094 0.026 0.000 1.055 206 V CA 1.747 64.112 62.300 0.109 0.000 1.049 206 V CB -0.912 30.973 31.823 0.104 0.000 0.662 206 V HN 0.389 nan 8.190 nan 0.000 0.455 207 A N -0.646 122.168 122.820 -0.009 0.000 2.015 207 A HA -0.146 4.166 4.320 -0.013 0.000 0.219 207 A C 2.326 179.863 177.584 -0.077 0.000 1.163 207 A CA 1.860 53.884 52.037 -0.022 0.000 0.646 207 A CB -0.440 18.546 19.000 -0.024 0.000 0.806 207 A HN 0.506 nan 8.150 nan 0.000 0.448 208 S N -0.575 114.994 115.700 -0.219 0.000 2.603 208 S HA 0.030 4.492 4.470 -0.013 0.000 0.220 208 S C 1.444 175.918 174.600 -0.209 0.000 0.967 208 S CA 0.052 57.990 58.200 -0.437 0.000 0.920 208 S CB -0.167 62.282 63.200 -1.251 0.000 0.773 208 S HN 0.577 nan 8.310 nan 0.000 0.529 209 R N 2.041 122.538 120.500 -0.006 0.000 2.346 209 R HA 0.043 4.375 4.340 -0.013 0.000 0.199 209 R C 1.292 177.669 176.300 0.128 0.000 1.015 209 R CA 0.712 56.896 56.100 0.140 0.000 1.058 209 R CB -0.476 29.885 30.300 0.101 0.000 0.921 209 R HN 0.668 nan 8.270 nan 0.000 0.475 210 N N -0.658 118.113 118.700 0.118 0.000 2.280 210 N HA -0.054 4.678 4.740 -0.013 0.000 0.192 210 N C -0.312 175.366 175.510 0.280 0.000 1.109 210 N CA -0.221 52.927 53.050 0.164 0.000 0.855 210 N CB 0.403 38.963 38.487 0.121 0.000 0.974 210 N HN -0.107 nan 8.380 nan 0.000 0.482 211 D N 1.374 121.923 120.400 0.249 0.000 2.414 211 D HA 0.208 4.841 4.640 -0.013 0.000 0.232 211 D C -1.550 174.798 176.300 0.080 0.000 1.070 211 D CA -2.677 51.416 54.000 0.154 0.000 0.839 211 D CB 1.896 42.753 40.800 0.095 0.000 1.079 211 D HN -0.042 nan 8.370 nan 0.000 0.521 212 P HA -0.163 nan 4.420 nan 0.000 0.218 212 P C 0.852 177.655 177.300 -0.828 0.000 1.149 212 P CA 0.968 63.595 63.100 -0.789 0.000 0.817 212 P CB 0.561 31.486 31.700 -1.291 0.000 0.785 213 K N -1.013 119.000 120.400 -0.644 0.000 2.057 213 K HA -0.185 4.128 4.320 -0.013 0.000 0.207 213 K C 2.430 178.952 176.600 -0.130 0.000 1.049 213 K CA 1.396 57.499 56.287 -0.306 0.000 0.931 213 K CB -0.747 31.754 32.500 0.002 0.000 0.714 213 K HN 0.142 nan 8.250 nan 0.000 0.440 214 Y N 1.733 121.946 120.300 -0.145 0.000 2.133 214 Y HA -0.230 4.315 4.550 -0.009 0.000 0.287 214 Y C 2.127 177.992 175.900 -0.060 0.000 1.134 214 Y CA 1.123 59.175 58.100 -0.079 0.000 1.133 214 Y CB -0.340 38.116 38.460 -0.007 0.000 0.987 214 Y HN -0.264 nan 8.280 nan 0.000 0.502 215 V N 0.274 120.243 119.914 0.092 0.000 2.332 215 V HA -0.314 3.798 4.120 -0.013 0.000 0.248 215 V C 2.580 178.634 176.094 -0.067 0.000 1.055 215 V CA 2.014 64.346 62.300 0.053 0.000 1.038 215 V CB -1.630 30.346 31.823 0.255 0.000 0.651 215 V HN 0.657 nan 8.190 nan 0.000 0.450 216 G N -0.560 108.177 108.800 -0.105 0.000 2.421 216 G HA2 -0.308 3.644 3.960 -0.013 0.000 0.216 216 G HA3 -0.308 3.644 3.960 -0.013 0.000 0.216 216 G C 1.716 176.561 174.900 -0.093 0.000 1.171 216 G CA 0.981 46.050 45.100 -0.052 0.000 0.775 216 G HN 0.443 nan 8.290 nan 0.000 0.543 217 R N -0.259 120.127 120.500 -0.191 0.000 2.081 217 R HA -0.019 4.314 4.340 -0.013 0.000 0.235 217 R C 2.650 178.801 176.300 -0.247 0.000 1.131 217 R CA 1.323 57.265 56.100 -0.262 0.000 0.960 217 R CB -0.411 29.630 30.300 -0.433 0.000 0.856 217 R HN 0.236 nan 8.270 nan 0.000 0.436 218 V N 1.258 120.981 119.914 -0.318 0.000 2.295 218 V HA -0.261 3.851 4.120 -0.013 0.000 0.246 218 V C 2.295 178.306 176.094 -0.138 0.000 1.049 218 V CA 1.776 63.915 62.300 -0.269 0.000 1.024 218 V CB -0.349 31.267 31.823 -0.344 0.000 0.648 218 V HN 0.367 nan 8.190 nan 0.000 0.447 219 L N 0.708 121.871 121.223 -0.101 0.000 2.131 219 L HA -0.145 4.187 4.340 -0.013 0.000 0.210 219 L C 2.659 179.502 176.870 -0.045 0.000 1.092 219 L CA 1.706 56.513 54.840 -0.055 0.000 0.759 219 L CB -0.702 41.346 42.059 -0.018 0.000 0.903 219 L HN 0.571 nan 8.230 nan 0.000 0.435 220 S N -0.249 115.421 115.700 -0.051 0.000 2.447 220 S HA -0.101 4.361 4.470 -0.013 0.000 0.233 220 S C 1.973 176.550 174.600 -0.038 0.000 1.006 220 S CA 0.786 58.966 58.200 -0.033 0.000 0.957 220 S CB -0.131 63.043 63.200 -0.045 0.000 0.773 220 S HN 0.364 nan 8.310 nan 0.000 0.507 221 A N 1.921 124.710 122.820 -0.052 0.000 1.871 221 A HA 0.367 4.680 4.320 -0.013 0.000 0.211 221 A C 2.238 179.813 177.584 -0.015 0.000 1.207 221 A CA 0.944 52.965 52.037 -0.026 0.000 0.620 221 A CB -0.519 18.456 19.000 -0.042 0.000 0.860 221 A HN 0.454 nan 8.150 nan 0.000 0.450 222 M N 0.205 119.781 119.600 -0.039 0.000 2.460 222 M HA 0.015 4.487 4.480 -0.013 0.000 0.263 222 M C 1.448 177.672 176.300 -0.127 0.000 1.071 222 M CA 0.818 56.082 55.300 -0.059 0.000 1.096 222 M CB -0.823 31.738 32.600 -0.065 0.000 1.408 222 M HN 0.284 nan 8.290 nan 0.000 0.463 223 I N 0.634 121.155 120.570 -0.081 0.000 2.928 223 I HA -0.122 4.040 4.170 -0.013 0.000 0.266 223 I C 0.528 176.680 176.117 0.059 0.000 1.234 223 I CA 0.425 61.680 61.300 -0.075 0.000 1.483 223 I CB -1.425 36.582 38.000 0.012 0.000 1.097 223 I HN 0.327 nan 8.210 nan 0.000 0.455 224 N N -0.582 118.171 118.700 0.089 0.000 2.405 224 N HA 0.088 4.820 4.740 -0.013 0.000 0.299 224 N C 0.790 176.359 175.510 0.098 0.000 1.075 224 N CA -0.155 53.011 53.050 0.193 0.000 0.884 224 N CB 1.010 39.491 38.487 -0.010 0.000 1.194 224 N HN -0.067 nan 8.380 nan 0.000 0.491 225 S N 0.757 116.535 115.700 0.129 0.000 2.474 225 S HA -0.086 4.376 4.470 -0.013 0.000 0.235 225 S C 0.360 175.029 174.600 0.114 0.000 0.997 225 S CA -0.208 58.061 58.200 0.114 0.000 0.949 225 S CB -0.808 62.470 63.200 0.130 0.000 0.766 225 S HN 0.650 nan 8.310 nan 0.000 0.517 226 N N 2.742 121.499 118.700 0.095 0.000 2.353 226 N HA -0.028 4.704 4.740 -0.013 0.000 0.248 226 N C -0.142 175.466 175.510 0.164 0.000 1.240 226 N CA 1.062 54.186 53.050 0.124 0.000 0.862 226 N CB 0.215 38.755 38.487 0.088 0.000 1.086 226 N HN 0.320 nan 8.380 nan 0.000 0.453 227 D N 0.221 120.721 120.400 0.166 0.000 2.463 227 D HA -0.235 4.397 4.640 -0.013 0.000 0.165 227 D C 0.122 176.486 176.300 0.106 0.000 1.471 227 D CA 2.153 56.231 54.000 0.130 0.000 1.333 227 D CB -0.850 40.024 40.800 0.124 0.000 1.227 227 D HN 0.819 nan 8.370 nan 0.000 0.427 228 D N -0.664 119.803 120.400 0.113 0.000 2.582 228 D HA 0.126 4.758 4.640 -0.013 0.000 0.246 228 D C -0.084 176.303 176.300 0.146 0.000 1.334 228 D CA -0.252 53.817 54.000 0.115 0.000 0.805 228 D CB -0.257 40.605 40.800 0.102 0.000 1.087 228 D HN 0.083 nan 8.370 nan 0.000 0.499 229 N N 0.380 119.172 118.700 0.153 0.000 2.754 229 N HA -0.098 4.634 4.740 -0.013 0.000 0.248 229 N C 0.720 176.409 175.510 0.299 0.000 1.093 229 N CA 1.050 54.222 53.050 0.203 0.000 0.699 229 N CB -1.454 37.142 38.487 0.182 0.000 1.016 229 N HN 0.546 nan 8.380 nan 0.000 0.552 230 G N -0.443 108.465 108.800 0.181 0.000 2.631 230 G HA2 0.306 4.258 3.960 -0.013 0.000 0.271 230 G HA3 0.306 4.258 3.960 -0.013 0.000 0.271 230 G C 1.333 176.180 174.900 -0.088 0.000 1.302 230 G CA 0.145 45.276 45.100 0.051 0.000 1.002 230 G HN 0.043 nan 8.290 nan 0.000 0.519 231 V N -0.281 119.310 119.914 -0.538 0.000 2.244 231 V HA 0.018 4.130 4.120 -0.013 0.000 0.244 231 V C 1.265 177.169 176.094 -0.316 0.000 1.042 231 V CA 1.246 63.037 62.300 -0.849 0.000 1.006 231 V CB -0.772 30.494 31.823 -0.928 0.000 0.641 231 V HN 0.296 nan 8.190 nan 0.000 0.446 232 L N 0.201 121.314 121.223 -0.184 0.000 2.317 232 L HA 0.688 5.020 4.340 -0.013 0.000 0.281 232 L C -0.097 176.805 176.870 0.052 0.000 1.024 232 L CA -0.422 54.314 54.840 -0.174 0.000 0.810 232 L CB 1.472 43.210 42.059 -0.534 0.000 1.240 232 L HN 0.167 nan 8.230 nan 0.000 0.427 233 A N 2.452 125.289 122.820 0.027 0.000 2.252 233 A HA 0.643 4.955 4.320 -0.013 0.000 0.309 233 A C 0.388 178.111 177.584 0.230 0.000 1.285 233 A CA -0.300 51.845 52.037 0.180 0.000 0.900 233 A CB 0.471 19.583 19.000 0.186 0.000 1.157 233 A HN 0.764 nan 8.150 nan 0.000 0.536 234 G N 1.077 110.086 108.800 0.348 0.000 2.527 234 G HA2 0.434 4.386 3.960 -0.013 0.000 0.248 234 G HA3 0.434 4.386 3.960 -0.013 0.000 0.248 234 G C -0.204 174.701 174.900 0.008 0.000 1.231 234 G CA -0.424 44.780 45.100 0.173 0.000 0.838 234 G HN 0.917 nan 8.290 nan 0.000 0.570 235 N N 0.339 118.791 118.700 -0.414 0.000 2.697 235 N HA 0.116 4.848 4.740 -0.013 0.000 0.271 235 N C -0.654 174.731 175.510 -0.208 0.000 1.149 235 N CA -0.744 52.201 53.050 -0.174 0.000 0.939 235 N CB 1.015 39.286 38.487 -0.361 0.000 1.534 235 N HN 0.605 nan 8.380 nan 0.000 0.556 236 W N 2.844 124.183 121.300 0.066 0.000 2.693 236 W HA 0.143 4.782 4.660 -0.035 0.000 0.415 236 W C 1.372 177.887 176.519 -0.006 0.000 0.932 236 W CA -0.276 57.088 57.345 0.032 0.000 2.200 236 W CB 0.647 30.008 29.460 -0.165 0.000 1.188 236 W HN 0.593 nan 8.180 nan 0.000 0.665 237 S N -0.828 114.935 115.700 0.105 0.000 2.470 237 S HA 0.196 4.658 4.470 -0.013 0.000 0.225 237 S C 1.814 176.332 174.600 -0.138 0.000 1.006 237 S CA 1.090 59.264 58.200 -0.043 0.000 0.934 237 S CB 0.258 63.380 63.200 -0.129 0.000 0.778 237 S HN 0.363 nan 8.310 nan 0.000 0.517 238 G N 0.092 108.723 108.800 -0.282 0.000 2.217 238 G HA2 -0.193 3.759 3.960 -0.013 0.000 0.246 238 G HA3 -0.193 3.759 3.960 -0.013 0.000 0.246 238 G C 0.168 174.617 174.900 -0.752 0.000 0.990 238 G CA 0.234 45.160 45.100 -0.291 0.000 0.627 238 G HN 0.692 nan 8.290 nan 0.000 0.522 239 T N 0.718 114.694 114.554 -0.964 0.000 2.815 239 T HA 0.575 4.917 4.350 -0.013 0.000 0.289 239 T C -0.478 173.682 174.700 -0.901 0.000 1.000 239 T CA -0.284 61.381 62.100 -0.725 0.000 0.958 239 T CB 0.944 69.621 68.868 -0.317 0.000 0.944 239 T HN 0.243 nan 8.240 nan 0.000 0.442 240 Y N 1.088 121.364 120.300 -0.039 0.000 2.716 240 Y HA 0.227 4.773 4.550 -0.007 0.000 0.260 240 Y C 1.648 177.663 175.900 0.192 0.000 1.141 240 Y CA -1.205 56.900 58.100 0.007 0.000 1.168 240 Y CB -0.591 37.920 38.460 0.086 0.000 1.189 240 Y HN 0.602 nan 8.280 nan 0.000 0.549 241 T N -2.086 112.563 114.554 0.159 0.000 2.932 241 T HA 0.381 4.723 4.350 -0.013 0.000 0.312 241 T C 1.457 176.302 174.700 0.243 0.000 1.071 241 T CA 0.696 62.886 62.100 0.151 0.000 1.128 241 T CB 1.152 70.059 68.868 0.067 0.000 0.984 241 T HN 0.865 nan 8.240 nan 0.000 0.549 242 G N 1.042 109.941 108.800 0.165 0.000 2.195 242 G HA2 0.148 4.100 3.960 -0.013 0.000 0.246 242 G HA3 0.148 4.100 3.960 -0.013 0.000 0.246 242 G C 0.442 175.370 174.900 0.046 0.000 0.984 242 G CA 0.054 45.234 45.100 0.133 0.000 0.633 242 G HN 1.689 nan 8.290 nan 0.000 0.525 243 G N -1.161 107.699 108.800 0.099 0.000 2.772 243 G HA2 0.667 4.620 3.960 -0.013 0.000 0.284 243 G HA3 0.667 4.620 3.960 -0.013 0.000 0.284 243 G C -0.992 173.923 174.900 0.026 0.000 1.217 243 G CA -0.519 44.518 45.100 -0.105 0.000 0.831 243 G HN 0.448 nan 8.290 nan 0.000 0.523 244 R N 0.190 120.678 120.500 -0.021 0.000 2.778 244 R HA 0.369 4.702 4.340 -0.013 0.000 0.277 244 R C -1.227 175.017 176.300 -0.093 0.000 0.977 244 R CA -0.817 55.194 56.100 -0.149 0.000 0.950 244 R CB 2.020 31.987 30.300 -0.556 0.000 1.165 244 R HN 0.519 nan 8.270 nan 0.000 0.474 245 D N 2.735 123.036 120.400 -0.165 0.000 2.450 245 D HA 0.006 4.638 4.640 -0.013 0.000 0.247 245 D C -1.604 174.489 176.300 -0.346 0.000 1.162 245 D CA -1.583 52.231 54.000 -0.309 0.000 0.879 245 D CB 1.357 42.097 40.800 -0.099 0.000 1.163 245 D HN 0.156 nan 8.370 nan 0.000 0.472 246 P HA -0.150 nan 4.420 nan 0.000 0.217 246 P C 1.190 178.646 177.300 0.261 0.000 1.148 246 P CA 1.001 64.057 63.100 -0.073 0.000 0.834 246 P CB 0.252 31.728 31.700 -0.374 0.000 0.783 247 R N -0.443 120.199 120.500 0.238 0.000 2.189 247 R HA -0.019 4.313 4.340 -0.013 0.000 0.223 247 R C 2.210 178.625 176.300 0.191 0.000 1.092 247 R CA 1.606 57.931 56.100 0.376 0.000 0.989 247 R CB -1.268 29.164 30.300 0.219 0.000 0.876 247 R HN 0.364 nan 8.270 nan 0.000 0.457 248 S N -0.707 114.978 115.700 -0.026 0.000 2.453 248 S HA -0.086 4.376 4.470 -0.013 0.000 0.231 248 S C 0.598 175.114 174.600 -0.140 0.000 1.005 248 S CA -0.274 57.835 58.200 -0.151 0.000 0.949 248 S CB -0.324 62.686 63.200 -0.316 0.000 0.774 248 S HN 0.243 nan 8.310 nan 0.000 0.510 249 W N 2.298 123.623 121.300 0.041 0.000 2.170 249 W HA 0.350 5.008 4.660 -0.003 0.000 0.342 249 W C 1.167 177.582 176.519 -0.174 0.000 1.294 249 W CA -0.643 56.669 57.345 -0.054 0.000 1.246 249 W CB 0.242 29.728 29.460 0.042 0.000 1.156 249 W HN 0.135 nan 8.180 nan 0.000 0.572 250 N N 0.902 119.501 118.700 -0.170 0.000 2.159 250 N HA 0.251 4.983 4.740 -0.013 0.000 0.217 250 N C 0.178 175.056 175.510 -1.053 0.000 1.223 250 N CA 0.291 53.085 53.050 -0.427 0.000 0.896 250 N CB 1.331 39.670 38.487 -0.247 0.000 1.064 250 N HN 0.568 nan 8.380 nan 0.000 0.518 251 G N -0.933 107.049 108.800 -1.364 0.000 2.430 251 G HA2 0.246 4.198 3.960 -0.013 0.000 0.300 251 G HA3 0.246 4.198 3.960 -0.013 0.000 0.300 251 G C -0.349 174.134 174.900 -0.695 0.000 1.330 251 G CA -0.264 43.880 45.100 -1.592 0.000 0.813 251 G HN -0.079 nan 8.290 nan 0.000 0.487 252 S N -0.830 114.767 115.700 -0.172 0.000 2.503 252 S HA 0.059 4.522 4.470 -0.013 0.000 0.217 252 S C 2.411 177.002 174.600 -0.015 0.000 0.999 252 S CA 0.768 59.030 58.200 0.102 0.000 0.914 252 S CB 0.319 63.705 63.200 0.310 0.000 0.782 252 S HN 0.432 nan 8.310 nan 0.000 0.520 253 V N 2.654 122.542 119.914 -0.044 0.000 2.233 253 V HA -0.163 3.949 4.120 -0.013 0.000 0.247 253 V C 2.511 178.601 176.094 -0.006 0.000 1.050 253 V CA 1.657 63.950 62.300 -0.011 0.000 1.010 253 V CB -0.544 31.270 31.823 -0.014 0.000 0.637 253 V HN 0.376 nan 8.190 nan 0.000 0.444 254 E N -0.119 120.076 120.200 -0.008 0.000 2.153 254 E HA -0.147 4.195 4.350 -0.013 0.000 0.194 254 E C 2.118 178.723 176.600 0.009 0.000 0.988 254 E CA 1.222 57.655 56.400 0.055 0.000 0.811 254 E CB -0.333 29.469 29.700 0.170 0.000 0.746 254 E HN 0.601 nan 8.360 nan 0.000 0.466 255 I N 0.682 121.150 120.570 -0.170 0.000 2.142 255 I HA -0.272 3.891 4.170 -0.013 0.000 0.240 255 I C 2.484 178.543 176.117 -0.098 0.000 1.078 255 I CA 0.953 62.052 61.300 -0.334 0.000 1.343 255 I CB -0.319 37.349 38.000 -0.554 0.000 1.046 255 I HN 0.046 nan 8.210 nan 0.000 0.405 256 L N 0.427 121.626 121.223 -0.040 0.000 2.046 256 L HA -0.224 4.108 4.340 -0.013 0.000 0.208 256 L C 2.565 179.534 176.870 0.166 0.000 1.077 256 L CA 1.547 56.433 54.840 0.076 0.000 0.747 256 L CB -0.554 41.542 42.059 0.062 0.000 0.896 256 L HN 0.189 nan 8.230 nan 0.000 0.432 257 K N -0.312 120.147 120.400 0.097 0.000 2.148 257 K HA -0.112 4.200 4.320 -0.013 0.000 0.204 257 K C 1.857 178.510 176.600 0.089 0.000 1.050 257 K CA 1.076 57.416 56.287 0.089 0.000 0.942 257 K CB -0.127 32.409 32.500 0.060 0.000 0.724 257 K HN 0.277 nan 8.250 nan 0.000 0.446 258 N N 0.179 118.938 118.700 0.098 0.000 2.216 258 N HA -0.159 4.573 4.740 -0.013 0.000 0.183 258 N C 1.265 176.850 175.510 0.125 0.000 1.017 258 N CA 0.782 53.890 53.050 0.097 0.000 0.861 258 N CB -0.295 38.262 38.487 0.116 0.000 0.986 258 N HN 0.288 nan 8.380 nan 0.000 0.428 259 W N 2.701 123.976 121.300 -0.041 0.000 2.333 259 W HA -0.139 4.524 4.660 0.005 0.000 0.316 259 W C 2.385 178.888 176.519 -0.026 0.000 1.215 259 W CA 1.690 59.011 57.345 -0.040 0.000 1.278 259 W CB -0.398 29.032 29.460 -0.051 0.000 1.154 259 W HN -0.022 nan 8.180 nan 0.000 0.486 260 K N 0.760 121.150 120.400 -0.017 0.000 2.002 260 K HA -0.277 4.035 4.320 -0.013 0.000 0.209 260 K C 2.304 178.799 176.600 -0.176 0.000 1.048 260 K CA 2.100 58.255 56.287 -0.221 0.000 0.930 260 K CB -0.646 31.822 32.500 -0.053 0.000 0.714 260 K HN 0.098 nan 8.250 nan 0.000 0.438 261 K N 0.633 120.992 120.400 -0.069 0.000 2.152 261 K HA -0.116 4.196 4.320 -0.013 0.000 0.206 261 K C 1.558 178.117 176.600 -0.069 0.000 1.048 261 K CA 1.816 58.071 56.287 -0.052 0.000 0.933 261 K CB -0.135 32.359 32.500 -0.010 0.000 0.721 261 K HN 0.296 nan 8.250 nan 0.000 0.447 262 S N -0.901 114.752 115.700 -0.078 0.000 2.671 262 S HA 0.163 4.625 4.470 -0.013 0.000 0.220 262 S C 0.918 175.444 174.600 -0.123 0.000 0.951 262 S CA 0.192 58.349 58.200 -0.072 0.000 0.932 262 S CB 0.248 63.429 63.200 -0.031 0.000 0.777 262 S HN 0.502 nan 8.310 nan 0.000 0.508 263 G N 1.645 110.334 108.800 -0.185 0.000 2.198 263 G HA2 -0.242 3.710 3.960 -0.013 0.000 0.257 263 G HA3 -0.242 3.710 3.960 -0.013 0.000 0.257 263 G C 0.358 175.068 174.900 -0.317 0.000 1.042 263 G CA -0.165 44.807 45.100 -0.213 0.000 0.791 263 G HN 1.188 nan 8.290 nan 0.000 0.502 264 L N -1.900 118.990 121.223 -0.555 0.000 3.898 264 L HA -0.205 4.127 4.340 -0.013 0.000 0.407 264 L C 1.121 177.818 176.870 -0.289 0.000 1.207 264 L CA 0.688 54.981 54.840 -0.910 0.000 0.931 264 L CB -2.465 39.115 42.059 -0.798 0.000 2.014 264 L HN 1.261 nan 8.230 nan 0.000 0.858 265 S N -1.305 114.327 115.700 -0.113 0.000 2.585 265 S HA 0.723 5.185 4.470 -0.013 0.000 0.277 265 S C -2.143 172.574 174.600 0.194 0.000 1.241 265 S CA -1.505 56.726 58.200 0.052 0.000 1.041 265 S CB 1.608 64.816 63.200 0.014 0.000 0.987 265 S HN 0.013 nan 8.310 nan 0.000 0.512 266 P HA 0.031 nan 4.420 nan 0.000 0.261 266 P C -0.841 176.514 177.300 0.090 0.000 1.173 266 P CA -0.076 63.125 63.100 0.169 0.000 0.760 266 P CB 0.222 31.992 31.700 0.115 0.000 0.783 267 V N 6.047 125.993 119.914 0.054 0.000 2.408 267 V HA 0.181 4.293 4.120 -0.013 0.000 0.267 267 V C 0.893 176.931 176.094 -0.093 0.000 1.047 267 V CA -0.021 62.271 62.300 -0.013 0.000 0.937 267 V CB 0.170 31.936 31.823 -0.095 0.000 0.999 267 V HN 0.440 nan 8.190 nan 0.000 0.472 268 R N 4.687 125.081 120.500 -0.177 0.000 2.294 268 R HA 0.657 4.989 4.340 -0.013 0.000 0.319 268 R C -1.433 174.745 176.300 -0.204 0.000 0.984 268 R CA -0.409 55.346 56.100 -0.575 0.000 0.861 268 R CB 1.316 30.791 30.300 -1.374 0.000 1.104 268 R HN 0.614 nan 8.270 nan 0.000 0.451 269 Y N -0.334 120.091 120.300 0.209 0.000 2.638 269 Y HA 0.691 5.230 4.550 -0.018 0.000 0.339 269 Y C 0.638 176.483 175.900 -0.091 0.000 1.084 269 Y CA -0.930 57.178 58.100 0.014 0.000 1.068 269 Y CB 2.505 40.947 38.460 -0.031 0.000 1.294 269 Y HN 0.688 nan 8.280 nan 0.000 0.480 270 G N 0.080 108.749 108.800 -0.219 0.000 2.605 270 G HA2 0.707 4.659 3.960 -0.013 0.000 0.296 270 G HA3 0.707 4.659 3.960 -0.013 0.000 0.296 270 G C -1.769 172.666 174.900 -0.775 0.000 1.304 270 G CA -0.748 43.976 45.100 -0.627 0.000 0.941 270 G HN 0.452 nan 8.290 nan 0.000 0.475 271 Q N -1.168 118.115 119.800 -0.861 0.000 2.587 271 Q HA 0.269 4.601 4.340 -0.013 0.000 0.293 271 Q C 1.615 177.558 176.000 -0.095 0.000 1.083 271 Q CA -0.587 54.840 55.803 -0.627 0.000 0.792 271 Q CB 2.172 30.430 28.738 -0.799 0.000 1.484 271 Q HN 0.865 nan 8.270 nan 0.000 0.446 272 C N -0.618 119.084 119.300 0.670 0.000 2.375 272 C HA -0.184 4.268 4.460 -0.013 0.000 0.274 272 C C 2.080 177.279 174.990 0.348 0.000 1.190 272 C CA 1.600 61.071 59.018 0.754 0.000 1.775 272 C CB -1.647 26.760 27.740 1.111 0.000 2.067 272 C HN 1.019 nan 8.230 nan 0.000 0.463 273 W N 1.795 123.235 121.300 0.233 0.000 2.465 273 W HA 0.200 4.818 4.660 -0.070 0.000 0.268 273 W C 1.774 178.077 176.519 -0.360 0.000 1.242 273 W CA 1.071 58.374 57.345 -0.069 0.000 1.248 273 W CB -1.083 28.316 29.460 -0.102 0.000 1.118 273 W HN 0.205 nan 8.180 nan 0.000 0.587 274 V N 1.015 120.395 119.914 -0.890 0.000 2.379 274 V HA -0.247 3.866 4.120 -0.013 0.000 0.245 274 V C 2.194 177.986 176.094 -0.504 0.000 1.044 274 V CA 1.667 63.507 62.300 -0.765 0.000 1.036 274 V CB -1.134 30.215 31.823 -0.790 0.000 0.664 274 V HN 0.089 nan 8.190 nan 0.000 0.453 275 F N 1.156 120.942 119.950 -0.273 0.000 2.102 275 F HA -0.109 4.385 4.527 -0.054 0.000 0.298 275 F C 2.505 178.237 175.800 -0.113 0.000 1.105 275 F CA 1.566 59.483 58.000 -0.138 0.000 1.239 275 F CB -1.009 37.980 39.000 -0.017 0.000 0.991 275 F HN 0.083 nan 8.300 nan 0.000 0.474 276 A N 0.182 123.051 122.820 0.082 0.000 1.898 276 A HA -0.034 4.278 4.320 -0.013 0.000 0.216 276 A C 2.556 180.095 177.584 -0.074 0.000 1.181 276 A CA 1.717 53.767 52.037 0.021 0.000 0.620 276 A CB -1.602 17.410 19.000 0.020 0.000 0.819 276 A HN 0.402 nan 8.150 nan 0.000 0.442 277 G N -1.127 107.473 108.800 -0.333 0.000 2.422 277 G HA2 -0.140 3.812 3.960 -0.013 0.000 0.218 277 G HA3 -0.140 3.812 3.960 -0.013 0.000 0.218 277 G C 1.546 176.517 174.900 0.118 0.000 1.146 277 G CA 1.652 46.486 45.100 -0.443 0.000 0.769 277 G HN 0.440 nan 8.290 nan 0.000 0.547 278 T N 0.940 115.525 114.554 0.053 0.000 2.857 278 T HA -0.064 4.278 4.350 -0.013 0.000 0.266 278 T C 2.190 176.931 174.700 0.068 0.000 1.048 278 T CA 1.010 63.173 62.100 0.105 0.000 1.139 278 T CB -0.142 68.705 68.868 -0.036 0.000 0.874 278 T HN 0.142 nan 8.240 nan 0.000 0.455 279 L N 1.873 123.124 121.223 0.047 0.000 2.141 279 L HA 0.092 4.424 4.340 -0.013 0.000 0.209 279 L C 1.984 178.876 176.870 0.037 0.000 1.094 279 L CA 1.542 56.407 54.840 0.043 0.000 0.763 279 L CB -0.881 41.215 42.059 0.061 0.000 0.908 279 L HN 0.207 nan 8.230 nan 0.000 0.437 280 N N -1.316 117.399 118.700 0.025 0.000 2.120 280 N HA -0.189 4.543 4.740 -0.013 0.000 0.188 280 N C 1.494 176.946 175.510 -0.098 0.000 1.024 280 N CA 1.836 54.833 53.050 -0.089 0.000 0.852 280 N CB 0.122 38.465 38.487 -0.241 0.000 1.003 280 N HN 0.427 nan 8.380 nan 0.000 0.424 281 T N 0.887 115.473 114.554 0.054 0.000 2.684 281 T HA -0.099 4.243 4.350 -0.013 0.000 0.267 281 T C 1.951 176.683 174.700 0.053 0.000 1.036 281 T CA 1.364 63.516 62.100 0.086 0.000 1.148 281 T CB -0.366 68.622 68.868 0.199 0.000 0.863 281 T HN 0.384 nan 8.240 nan 0.000 0.436 282 A N 1.262 124.116 122.820 0.057 0.000 1.858 282 A HA -0.021 4.291 4.320 -0.013 0.000 0.216 282 A C 2.333 179.968 177.584 0.086 0.000 1.190 282 A CA 1.323 53.397 52.037 0.061 0.000 0.617 282 A CB -0.924 18.096 19.000 0.033 0.000 0.827 282 A HN 0.469 nan 8.150 nan 0.000 0.443 283 L N -1.146 120.121 121.223 0.074 0.000 1.989 283 L HA -0.221 4.112 4.340 -0.013 0.000 0.211 283 L C 2.924 179.870 176.870 0.126 0.000 1.071 283 L CA 1.769 56.672 54.840 0.104 0.000 0.749 283 L CB -0.568 41.546 42.059 0.091 0.000 0.890 283 L HN 0.354 nan 8.230 nan 0.000 0.431 284 R N -0.058 120.482 120.500 0.066 0.000 2.096 284 R HA -0.148 4.184 4.340 -0.013 0.000 0.235 284 R C 2.638 179.040 176.300 0.170 0.000 1.127 284 R CA 1.661 57.809 56.100 0.081 0.000 0.968 284 R CB -0.486 29.787 30.300 -0.046 0.000 0.861 284 R HN 0.510 nan 8.270 nan 0.000 0.440 285 S N 0.776 116.571 115.700 0.158 0.000 2.382 285 S HA -0.110 4.352 4.470 -0.013 0.000 0.228 285 S C 1.822 176.613 174.600 0.318 0.000 1.027 285 S CA 0.950 59.326 58.200 0.294 0.000 0.991 285 S CB -0.148 63.182 63.200 0.217 0.000 0.823 285 S HN 0.103 nan 8.310 nan 0.000 0.469 286 L N 1.548 122.925 121.223 0.257 0.000 2.478 286 L HA 0.361 4.693 4.340 -0.013 0.000 0.223 286 L C 1.953 179.086 176.870 0.437 0.000 1.140 286 L CA 1.034 56.049 54.840 0.292 0.000 0.842 286 L CB -0.828 41.413 42.059 0.304 0.000 0.953 286 L HN 0.703 nan 8.230 nan 0.000 0.452 287 G N -0.706 108.341 108.800 0.413 0.000 2.148 287 G HA2 -0.219 3.733 3.960 -0.013 0.000 0.203 287 G HA3 -0.219 3.733 3.960 -0.013 0.000 0.203 287 G C 0.310 175.415 174.900 0.341 0.000 0.993 287 G CA -0.201 45.169 45.100 0.450 0.000 0.661 287 G HN 0.224 nan 8.290 nan 0.000 0.518 288 I N 2.124 122.837 120.570 0.238 0.000 2.297 288 I HA 0.271 4.434 4.170 -0.013 0.000 0.291 288 I C -2.026 174.194 176.117 0.172 0.000 1.033 288 I CA -2.326 59.053 61.300 0.132 0.000 1.253 288 I CB 1.464 39.504 38.000 0.066 0.000 1.396 288 I HN -0.163 nan 8.210 nan 0.000 0.476 289 P HA -0.052 nan 4.420 nan 0.000 0.260 289 P C -0.529 176.919 177.300 0.246 0.000 1.172 289 P CA 0.514 63.701 63.100 0.146 0.000 0.760 289 P CB 0.560 32.258 31.700 -0.003 0.000 0.773 290 S N 2.599 118.427 115.700 0.213 0.000 2.556 290 S HA 0.773 5.235 4.470 -0.013 0.000 0.271 290 S C -1.266 173.326 174.600 -0.013 0.000 1.135 290 S CA -0.817 57.474 58.200 0.152 0.000 0.858 290 S CB 1.050 64.299 63.200 0.082 0.000 1.114 290 S HN 0.512 nan 8.310 nan 0.000 0.468 291 R N 0.848 121.253 120.500 -0.158 0.000 2.764 291 R HA 0.778 5.110 4.340 -0.013 0.000 0.270 291 R C -1.870 174.336 176.300 -0.156 0.000 1.014 291 R CA -0.964 55.019 56.100 -0.195 0.000 0.904 291 R CB 0.773 30.837 30.300 -0.393 0.000 1.236 291 R HN 0.351 nan 8.270 nan 0.000 0.466 292 V N 2.320 122.187 119.914 -0.080 0.000 2.427 292 V HA 0.412 4.524 4.120 -0.013 0.000 0.286 292 V C -0.117 175.890 176.094 -0.145 0.000 1.034 292 V CA -0.790 61.467 62.300 -0.072 0.000 0.893 292 V CB 1.444 33.274 31.823 0.011 0.000 0.982 292 V HN 0.514 nan 8.190 nan 0.000 0.452 293 I N 3.513 123.913 120.570 -0.283 0.000 2.404 293 I HA 0.448 4.610 4.170 -0.013 0.000 0.293 293 I C 0.207 175.913 176.117 -0.685 0.000 0.992 293 I CA -0.157 60.852 61.300 -0.484 0.000 1.149 293 I CB 1.836 39.423 38.000 -0.689 0.000 1.315 293 I HN 0.533 nan 8.210 nan 0.000 0.446 294 T N 5.273 119.517 114.554 -0.516 0.000 2.786 294 T HA 0.297 4.639 4.350 -0.013 0.000 0.283 294 T C -0.116 174.206 174.700 -0.631 0.000 0.992 294 T CA -0.568 61.203 62.100 -0.549 0.000 0.954 294 T CB 0.989 69.628 68.868 -0.382 0.000 0.934 294 T HN 0.485 nan 8.240 nan 0.000 0.440 295 N N 2.499 120.771 118.700 -0.714 0.000 2.417 295 N HA 0.463 5.196 4.740 -0.013 0.000 0.274 295 N C -1.329 174.021 175.510 -0.266 0.000 0.987 295 N CA -0.676 52.095 53.050 -0.465 0.000 0.912 295 N CB 0.374 38.552 38.487 -0.516 0.000 1.177 295 N HN 0.310 nan 8.380 nan 0.000 0.490 296 F N 2.129 122.121 119.950 0.070 0.000 2.385 296 F HA 0.339 4.872 4.527 0.009 0.000 0.336 296 F C 0.806 176.684 175.800 0.131 0.000 1.100 296 F CA -0.527 57.582 58.000 0.183 0.000 1.116 296 F CB 0.726 39.837 39.000 0.184 0.000 1.166 296 F HN 0.459 nan 8.300 nan 0.000 0.511 297 N N 0.816 119.718 118.700 0.336 0.000 2.708 297 N HA -0.223 4.509 4.740 -0.013 0.000 0.255 297 N C -0.627 174.968 175.510 0.141 0.000 1.046 297 N CA 0.382 53.558 53.050 0.211 0.000 0.715 297 N CB -1.194 37.376 38.487 0.138 0.000 0.895 297 N HN 0.435 nan 8.380 nan 0.000 0.545 298 S N -0.454 115.344 115.700 0.164 0.000 2.430 298 S HA 0.689 5.151 4.470 -0.013 0.000 0.289 298 S C 0.407 174.996 174.600 -0.019 0.000 1.143 298 S CA -0.175 58.072 58.200 0.077 0.000 1.067 298 S CB 0.517 63.797 63.200 0.133 0.000 0.964 298 S HN 0.488 nan 8.310 nan 0.000 0.485 299 A N 3.993 126.779 122.820 -0.057 0.000 2.316 299 A HA 0.413 4.725 4.320 -0.013 0.000 0.284 299 A C -0.276 177.237 177.584 -0.118 0.000 1.115 299 A CA -0.486 51.519 52.037 -0.052 0.000 0.812 299 A CB 0.245 19.236 19.000 -0.014 0.000 1.064 299 A HN 1.005 nan 8.150 nan 0.000 0.489 300 H N 1.765 120.744 119.070 -0.151 0.000 2.697 300 H HA 0.286 4.838 4.556 -0.006 0.000 0.270 300 H C -1.236 174.101 175.328 0.016 0.000 1.188 300 H CA -0.697 55.294 56.048 -0.094 0.000 1.322 300 H CB 0.425 30.134 29.762 -0.088 0.000 1.405 300 H HN 0.706 nan 8.280 nan 0.000 0.502 301 D N 3.359 123.903 120.400 0.241 0.000 2.317 301 D HA -0.015 4.617 4.640 -0.013 0.000 0.252 301 D C 1.279 177.694 176.300 0.192 0.000 1.174 301 D CA -0.059 54.026 54.000 0.142 0.000 0.866 301 D CB 1.612 42.481 40.800 0.115 0.000 1.127 301 D HN 0.704 nan 8.370 nan 0.000 0.467 302 T N -0.225 114.338 114.554 0.015 0.000 3.014 302 T HA 0.012 4.354 4.350 -0.013 0.000 0.250 302 T C 0.529 175.236 174.700 0.012 0.000 1.060 302 T CA 0.095 62.193 62.100 -0.005 0.000 1.040 302 T CB 0.002 68.785 68.868 -0.142 0.000 0.971 302 T HN 0.368 nan 8.240 nan 0.000 0.497 303 D N 0.707 121.114 120.400 0.013 0.000 2.501 303 D HA 0.226 4.858 4.640 -0.013 0.000 0.226 303 D C 0.291 176.601 176.300 0.017 0.000 1.198 303 D CA -0.735 53.269 54.000 0.007 0.000 0.830 303 D CB -0.480 40.318 40.800 -0.004 0.000 1.014 303 D HN 0.270 nan 8.370 nan 0.000 0.496 304 R N 0.537 121.059 120.500 0.037 0.000 3.322 304 R HA -0.213 4.119 4.340 -0.013 0.000 0.253 304 R C -0.292 176.011 176.300 0.005 0.000 0.987 304 R CA 0.902 57.018 56.100 0.027 0.000 0.666 304 R CB -2.140 28.165 30.300 0.008 0.000 1.072 304 R HN 0.476 nan 8.270 nan 0.000 0.447 305 N N 0.002 118.716 118.700 0.023 0.000 2.197 305 N HA 0.105 4.838 4.740 -0.013 0.000 0.228 305 N C 0.296 175.828 175.510 0.037 0.000 1.212 305 N CA -0.180 52.881 53.050 0.019 0.000 0.883 305 N CB 0.328 38.841 38.487 0.043 0.000 1.107 305 N HN 0.357 nan 8.380 nan 0.000 0.519 306 L N -0.548 120.702 121.223 0.045 0.000 3.839 306 L HA -0.245 4.087 4.340 -0.013 0.000 0.416 306 L C -0.328 176.683 176.870 0.236 0.000 1.195 306 L CA 0.712 55.614 54.840 0.104 0.000 0.946 306 L CB -2.389 39.606 42.059 -0.108 0.000 1.891 306 L HN 0.415 nan 8.230 nan 0.000 0.963 307 S N -0.525 115.276 115.700 0.168 0.000 2.536 307 S HA 0.795 5.257 4.470 -0.013 0.000 0.271 307 S C -0.477 174.190 174.600 0.112 0.000 1.134 307 S CA -0.040 58.259 58.200 0.166 0.000 0.897 307 S CB 2.244 65.550 63.200 0.176 0.000 1.094 307 S HN 0.431 nan 8.310 nan 0.000 0.473 308 V N 1.051 121.021 119.914 0.093 0.000 2.823 308 V HA 0.770 4.882 4.120 -0.013 0.000 0.312 308 V C -1.277 174.863 176.094 0.076 0.000 1.072 308 V CA -0.836 61.506 62.300 0.070 0.000 0.937 308 V CB 2.031 33.884 31.823 0.051 0.000 1.013 308 V HN 0.804 nan 8.190 nan 0.000 0.430 309 D N 2.446 122.888 120.400 0.069 0.000 2.256 309 D HA 0.628 5.260 4.640 -0.013 0.000 0.246 309 D C -0.442 175.826 176.300 -0.053 0.000 1.042 309 D CA -0.085 53.941 54.000 0.044 0.000 0.841 309 D CB 2.417 43.205 40.800 -0.021 0.000 1.223 309 D HN 0.918 nan 8.370 nan 0.000 0.470 310 V N -0.471 119.364 119.914 -0.130 0.000 2.656 310 V HA 0.641 4.753 4.120 -0.013 0.000 0.307 310 V C -1.413 174.520 176.094 -0.268 0.000 1.051 310 V CA -0.729 61.494 62.300 -0.128 0.000 0.893 310 V CB 1.134 32.929 31.823 -0.047 0.000 0.999 310 V HN 0.359 nan 8.190 nan 0.000 0.426 311 Y N 3.162 123.340 120.300 -0.203 0.000 2.509 311 Y HA 0.851 5.392 4.550 -0.014 0.000 0.341 311 Y C -0.647 174.976 175.900 -0.462 0.000 1.038 311 Y CA -0.855 57.140 58.100 -0.175 0.000 1.089 311 Y CB 2.264 40.626 38.460 -0.163 0.000 1.241 311 Y HN 0.722 nan 8.280 nan 0.000 0.468 312 Y N 0.213 120.586 120.300 0.121 0.000 2.562 312 Y HA 0.342 4.884 4.550 -0.013 0.000 0.345 312 Y C -0.742 175.173 175.900 0.025 0.000 1.045 312 Y CA -1.528 56.593 58.100 0.035 0.000 1.028 312 Y CB 1.710 40.170 38.460 -0.001 0.000 1.297 312 Y HN 0.622 nan 8.280 nan 0.000 0.463 313 D N 0.618 121.127 120.400 0.181 0.000 2.387 313 D HA 0.351 4.983 4.640 -0.013 0.000 0.255 313 D C -2.424 173.939 176.300 0.105 0.000 1.081 313 D CA -2.545 51.518 54.000 0.105 0.000 0.994 313 D CB 1.025 41.879 40.800 0.091 0.000 1.127 313 D HN 0.122 nan 8.370 nan 0.000 0.513 314 P HA -0.013 nan 4.420 nan 0.000 0.226 314 P C 0.987 178.345 177.300 0.096 0.000 1.146 314 P CA 1.206 64.381 63.100 0.124 0.000 0.773 314 P CB 0.031 31.833 31.700 0.171 0.000 0.772 315 M N -2.811 116.844 119.600 0.092 0.000 2.495 315 M HA 0.236 4.709 4.480 -0.013 0.000 0.237 315 M C 1.072 177.429 176.300 0.095 0.000 1.131 315 M CA 0.723 56.069 55.300 0.077 0.000 1.032 315 M CB -0.076 32.568 32.600 0.073 0.000 1.513 315 M HN 0.036 nan 8.290 nan 0.000 0.488 316 G N 0.987 109.861 108.800 0.122 0.000 2.141 316 G HA2 -0.199 3.753 3.960 -0.013 0.000 0.231 316 G HA3 -0.199 3.753 3.960 -0.013 0.000 0.231 316 G C -0.311 174.741 174.900 0.253 0.000 0.984 316 G CA -0.453 44.736 45.100 0.148 0.000 0.660 316 G HN 0.451 nan 8.290 nan 0.000 0.525 317 N N 1.580 120.425 118.700 0.242 0.000 2.472 317 N HA 0.429 5.161 4.740 -0.013 0.000 0.277 317 N C -2.731 172.813 175.510 0.057 0.000 1.081 317 N CA -1.007 52.168 53.050 0.208 0.000 0.973 317 N CB 1.551 40.156 38.487 0.197 0.000 1.105 317 N HN 0.098 nan 8.380 nan 0.000 0.470 318 P HA 0.203 nan 4.420 nan 0.000 0.275 318 P C -0.581 176.418 177.300 -0.503 0.000 1.228 318 P CA -0.362 62.458 63.100 -0.467 0.000 0.786 318 P CB 0.767 32.186 31.700 -0.468 0.000 0.927 319 L N 3.131 124.103 121.223 -0.418 0.000 2.296 319 L HA 0.240 4.572 4.340 -0.013 0.000 0.286 319 L C 1.070 177.758 176.870 -0.304 0.000 1.023 319 L CA 0.296 54.952 54.840 -0.306 0.000 0.812 319 L CB 0.525 42.475 42.059 -0.183 0.000 1.223 319 L HN 0.295 nan 8.230 nan 0.000 0.421 320 D N 1.094 121.312 120.400 -0.303 0.000 2.220 320 D HA -0.239 4.394 4.640 -0.013 0.000 0.198 320 D C 0.859 177.030 176.300 -0.215 0.000 1.001 320 D CA 1.430 55.282 54.000 -0.246 0.000 0.875 320 D CB -0.025 40.657 40.800 -0.196 0.000 0.921 320 D HN 0.390 nan 8.370 nan 0.000 0.454 321 K N 0.303 120.545 120.400 -0.263 0.000 2.036 321 K HA 0.049 4.361 4.320 -0.013 0.000 0.246 321 K C 0.595 177.110 176.600 -0.141 0.000 1.148 321 K CA 0.654 56.749 56.287 -0.320 0.000 1.200 321 K CB -0.742 31.377 32.500 -0.635 0.000 0.964 321 K HN 0.290 nan 8.250 nan 0.000 0.364 322 G N 2.316 111.062 108.800 -0.091 0.000 2.137 322 G HA2 -0.310 3.643 3.960 -0.013 0.000 0.237 322 G HA3 -0.310 3.643 3.960 -0.013 0.000 0.237 322 G C 0.559 175.435 174.900 -0.040 0.000 1.002 322 G CA 0.546 45.642 45.100 -0.008 0.000 0.702 322 G HN 0.727 nan 8.290 nan 0.000 0.515 323 S N -0.249 115.385 115.700 -0.110 0.000 2.522 323 S HA 0.089 4.551 4.470 -0.013 0.000 0.227 323 S C 1.441 175.980 174.600 -0.103 0.000 0.986 323 S CA 1.427 59.537 58.200 -0.150 0.000 0.929 323 S CB 0.050 63.117 63.200 -0.223 0.000 0.769 323 S HN 0.730 nan 8.310 nan 0.000 0.529 324 D N -0.112 120.244 120.400 -0.075 0.000 2.503 324 D HA 0.244 4.876 4.640 -0.013 0.000 0.218 324 D C 1.035 177.409 176.300 0.124 0.000 1.183 324 D CA -0.078 53.890 54.000 -0.053 0.000 0.827 324 D CB -0.554 40.156 40.800 -0.151 0.000 1.034 324 D HN 0.269 nan 8.370 nan 0.000 0.510 325 S N -0.315 115.431 115.700 0.077 0.000 2.469 325 S HA 0.032 4.494 4.470 -0.013 0.000 0.238 325 S C 0.764 175.458 174.600 0.158 0.000 0.998 325 S CA 0.324 58.580 58.200 0.093 0.000 0.957 325 S CB 0.164 63.378 63.200 0.022 0.000 0.764 325 S HN 0.216 nan 8.310 nan 0.000 0.514 326 V N 1.930 121.955 119.914 0.186 0.000 2.483 326 V HA 0.351 4.463 4.120 -0.013 0.000 0.297 326 V C -1.014 175.282 176.094 0.336 0.000 1.027 326 V CA -1.031 61.395 62.300 0.210 0.000 0.855 326 V CB 1.094 32.991 31.823 0.122 0.000 0.995 326 V HN 0.344 nan 8.190 nan 0.000 0.424 327 W N 2.608 123.895 121.300 -0.021 0.000 2.313 327 W HA 0.460 5.105 4.660 -0.025 0.000 0.328 327 W C 1.503 178.067 176.519 0.075 0.000 1.197 327 W CA -1.178 56.140 57.345 -0.045 0.000 1.235 327 W CB 0.201 29.604 29.460 -0.096 0.000 1.158 327 W HN 0.506 nan 8.180 nan 0.000 0.578 328 N N 0.999 119.889 118.700 0.316 0.000 2.289 328 N HA -0.127 4.605 4.740 -0.013 0.000 0.184 328 N C -0.238 175.615 175.510 0.572 0.000 1.016 328 N CA 1.277 54.575 53.050 0.413 0.000 0.872 328 N CB 0.039 38.793 38.487 0.445 0.000 0.973 328 N HN 0.373 nan 8.380 nan 0.000 0.433 329 F N -2.303 117.914 119.950 0.446 0.000 2.769 329 F HA 0.451 4.955 4.527 -0.039 0.000 0.313 329 F C -1.321 174.783 175.800 0.508 0.000 1.146 329 F CA -1.316 56.792 58.000 0.179 0.000 0.934 329 F CB 0.890 39.731 39.000 -0.265 0.000 1.283 329 F HN -0.184 nan 8.300 nan 0.000 0.443 330 H N 1.164 120.444 119.070 0.350 0.000 2.865 330 H HA 0.792 5.372 4.556 0.039 0.000 0.362 330 H C -2.104 173.330 175.328 0.176 0.000 1.114 330 H CA -0.986 55.281 56.048 0.364 0.000 1.208 330 H CB 2.136 31.955 29.762 0.095 0.000 1.727 330 H HN 0.733 nan 8.280 nan 0.000 0.534 331 V N 5.606 125.416 119.914 -0.173 0.000 2.483 331 V HA 0.506 4.618 4.120 -0.013 0.000 0.295 331 V C -0.655 175.241 176.094 -0.331 0.000 1.035 331 V CA -0.341 61.781 62.300 -0.296 0.000 0.896 331 V CB 0.753 32.615 31.823 0.066 0.000 0.986 331 V HN 0.878 nan 8.190 nan 0.000 0.447 332 W N 3.241 124.381 121.300 -0.266 0.000 3.163 332 W HA 0.743 5.382 4.660 -0.035 0.000 0.395 332 W C -1.269 175.201 176.519 -0.083 0.000 1.100 332 W CA -1.044 56.200 57.345 -0.167 0.000 1.134 332 W CB 0.705 30.069 29.460 -0.159 0.000 1.496 332 W HN 0.389 nan 8.180 nan 0.000 0.605 333 N N -0.172 118.765 118.700 0.394 0.000 2.380 333 N HA 0.528 5.260 4.740 -0.013 0.000 0.290 333 N C -1.725 173.950 175.510 0.274 0.000 1.236 333 N CA -1.062 52.116 53.050 0.213 0.000 0.780 333 N CB 2.223 40.785 38.487 0.124 0.000 1.438 333 N HN 0.443 nan 8.380 nan 0.000 0.491 334 E N -0.591 119.679 120.200 0.115 0.000 2.256 334 E HA 0.600 4.942 4.350 -0.013 0.000 0.268 334 E C -0.880 175.871 176.600 0.253 0.000 0.877 334 E CA -0.976 55.510 56.400 0.142 0.000 0.757 334 E CB 2.110 31.760 29.700 -0.084 0.000 1.183 334 E HN 0.591 nan 8.360 nan 0.000 0.418 335 G N 1.831 110.798 108.800 0.278 0.000 2.420 335 G HA2 0.330 4.282 3.960 -0.013 0.000 0.331 335 G HA3 0.330 4.282 3.960 -0.013 0.000 0.331 335 G C -1.544 173.384 174.900 0.046 0.000 1.168 335 G CA -0.540 44.733 45.100 0.288 0.000 0.936 335 G HN 0.439 nan 8.290 nan 0.000 0.479 336 W N 3.904 125.089 121.300 -0.193 0.000 2.329 336 W HA 0.631 5.276 4.660 -0.025 0.000 0.312 336 W C -1.786 174.577 176.519 -0.259 0.000 1.054 336 W CA -1.173 55.835 57.345 -0.561 0.000 1.245 336 W CB 0.867 29.804 29.460 -0.872 0.000 1.255 336 W HN 0.443 nan 8.180 nan 0.000 0.436 337 F N 3.154 122.764 119.950 -0.566 0.000 2.746 337 F HA 0.411 4.926 4.527 -0.020 0.000 0.311 337 F C -0.644 174.902 175.800 -0.423 0.000 1.135 337 F CA -1.678 56.069 58.000 -0.421 0.000 0.954 337 F CB -0.401 38.469 39.000 -0.217 0.000 1.276 337 F HN 0.123 nan 8.300 nan 0.000 0.440 338 V N 0.204 120.082 119.914 -0.060 0.000 3.096 338 V HA 0.586 4.698 4.120 -0.013 0.000 0.306 338 V C -0.064 176.081 176.094 0.085 0.000 1.088 338 V CA -0.598 61.661 62.300 -0.069 0.000 1.129 338 V CB 0.900 32.709 31.823 -0.023 0.000 1.014 338 V HN 0.864 nan 8.190 nan 0.000 0.486 339 R N 2.490 123.022 120.500 0.053 0.000 2.396 339 R HA 0.317 4.649 4.340 -0.013 0.000 0.292 339 R C 1.239 177.589 176.300 0.084 0.000 1.240 339 R CA 0.442 56.609 56.100 0.111 0.000 1.270 339 R CB 0.855 31.217 30.300 0.103 0.000 1.108 339 R HN 1.079 nan 8.270 nan 0.000 0.573 340 S N 0.122 115.869 115.700 0.078 0.000 2.469 340 S HA -0.163 4.300 4.470 -0.013 0.000 0.238 340 S C 1.103 175.734 174.600 0.051 0.000 0.998 340 S CA 1.312 59.546 58.200 0.058 0.000 0.957 340 S CB -0.005 63.227 63.200 0.053 0.000 0.764 340 S HN 0.526 nan 8.310 nan 0.000 0.514 341 D N 1.122 121.556 120.400 0.058 0.000 2.348 341 D HA 0.050 4.682 4.640 -0.013 0.000 0.211 341 D C 1.575 177.869 176.300 -0.009 0.000 0.998 341 D CA 0.251 54.268 54.000 0.028 0.000 0.873 341 D CB -0.220 40.606 40.800 0.043 0.000 0.925 341 D HN 0.506 nan 8.370 nan 0.000 0.524 342 L N -0.999 120.232 121.223 0.013 0.000 2.653 342 L HA 0.443 4.775 4.340 -0.013 0.000 0.230 342 L C 1.127 178.076 176.870 0.131 0.000 1.055 342 L CA 0.295 55.122 54.840 -0.022 0.000 0.880 342 L CB 0.533 42.517 42.059 -0.126 0.000 1.195 342 L HN 0.245 nan 8.230 nan 0.000 0.492 343 G N -0.147 108.745 108.800 0.154 0.000 2.357 343 G HA2 -0.056 3.897 3.960 -0.013 0.000 0.643 343 G HA3 -0.056 3.897 3.960 -0.013 0.000 0.643 343 G C -2.672 172.293 174.900 0.108 0.000 1.358 343 G CA -0.719 44.470 45.100 0.148 0.000 0.986 343 G HN -0.213 nan 8.290 nan 0.000 0.620 344 P HA 0.041 nan 4.420 nan 0.000 0.220 344 P C 1.831 179.073 177.300 -0.097 0.000 1.148 344 P CA 1.759 64.843 63.100 -0.027 0.000 0.803 344 P CB 0.179 31.863 31.700 -0.026 0.000 0.782 345 S N -2.158 113.434 115.700 -0.180 0.000 2.489 345 S HA -0.040 4.422 4.470 -0.013 0.000 0.228 345 S C 0.753 175.022 174.600 -0.552 0.000 0.995 345 S CA 0.740 58.696 58.200 -0.408 0.000 0.934 345 S CB -0.702 62.135 63.200 -0.607 0.000 0.771 345 S HN 0.311 nan 8.310 nan 0.000 0.522 346 Y N 1.350 121.605 120.300 -0.076 0.000 2.607 346 Y HA 0.413 4.953 4.550 -0.016 0.000 0.266 346 Y C 1.469 177.272 175.900 -0.161 0.000 1.178 346 Y CA -0.850 57.193 58.100 -0.096 0.000 1.226 346 Y CB -0.206 38.215 38.460 -0.063 0.000 1.144 346 Y HN 0.171 nan 8.280 nan 0.000 0.528 347 G N -0.235 108.491 108.800 -0.124 0.000 2.621 347 G HA2 0.488 4.440 3.960 -0.013 0.000 0.271 347 G HA3 0.488 4.440 3.960 -0.013 0.000 0.271 347 G C 0.549 175.133 174.900 -0.528 0.000 1.236 347 G CA 0.360 45.285 45.100 -0.293 0.000 0.958 347 G HN 0.561 nan 8.290 nan 0.000 0.512 348 G N -1.356 106.831 108.800 -1.020 0.000 2.516 348 G HA2 -0.162 3.790 3.960 -0.013 0.000 0.220 348 G HA3 -0.162 3.790 3.960 -0.013 0.000 0.220 348 G C -0.289 173.926 174.900 -1.141 0.000 1.165 348 G CA -0.242 43.862 45.100 -1.660 0.000 1.013 348 G HN 0.790 nan 8.290 nan 0.000 0.590 349 W N 2.193 123.283 121.300 -0.351 0.000 2.216 349 W HA 0.585 5.255 4.660 0.016 0.000 0.326 349 W C 0.457 176.798 176.519 -0.295 0.000 1.319 349 W CA -0.226 57.017 57.345 -0.170 0.000 1.213 349 W CB 0.816 30.267 29.460 -0.015 0.000 1.171 349 W HN 0.370 nan 8.180 nan 0.000 0.557 350 Q N 2.661 122.439 119.800 -0.037 0.000 2.304 350 Q HA 0.304 4.636 4.340 -0.013 0.000 0.270 350 Q C -0.713 175.307 176.000 0.033 0.000 1.035 350 Q CA -1.029 54.699 55.803 -0.125 0.000 0.781 350 Q CB 1.908 30.379 28.738 -0.444 0.000 1.261 350 Q HN 0.233 nan 8.270 nan 0.000 0.444 351 V N 3.813 123.761 119.914 0.057 0.000 2.529 351 V HA 0.194 4.306 4.120 -0.013 0.000 0.292 351 V C 0.248 176.367 176.094 0.042 0.000 1.028 351 V CA 0.196 62.530 62.300 0.057 0.000 1.074 351 V CB 0.111 31.886 31.823 -0.079 0.000 0.958 351 V HN 0.538 nan 8.190 nan 0.000 0.481 352 L N 4.708 125.980 121.223 0.081 0.000 2.409 352 L HA 0.606 4.939 4.340 -0.013 0.000 0.272 352 L C -0.990 175.933 176.870 0.087 0.000 0.980 352 L CA -0.400 54.485 54.840 0.075 0.000 0.826 352 L CB 2.237 44.364 42.059 0.114 0.000 1.268 352 L HN 0.547 nan 8.230 nan 0.000 0.407 353 D N 1.909 122.338 120.400 0.049 0.000 2.620 353 D HA 0.453 5.085 4.640 -0.013 0.000 0.252 353 D C 0.168 176.495 176.300 0.044 0.000 1.207 353 D CA -0.311 53.745 54.000 0.093 0.000 0.884 353 D CB 2.437 43.291 40.800 0.089 0.000 1.262 353 D HN 0.567 nan 8.370 nan 0.000 0.552 354 A N 2.748 125.599 122.820 0.050 0.000 2.218 354 A HA 0.133 4.445 4.320 -0.013 0.000 0.209 354 A C 0.966 178.388 177.584 -0.271 0.000 1.168 354 A CA 0.299 52.319 52.037 -0.028 0.000 0.804 354 A CB -0.063 18.982 19.000 0.076 0.000 0.834 354 A HN 0.473 nan 8.150 nan 0.000 0.482 355 T N 3.700 118.111 114.554 -0.237 0.000 2.853 355 T HA 0.291 4.633 4.350 -0.013 0.000 0.298 355 T C -2.490 171.997 174.700 -0.355 0.000 0.978 355 T CA -0.468 61.347 62.100 -0.474 0.000 1.152 355 T CB 0.729 69.666 68.868 0.115 0.000 0.914 355 T HN 0.217 nan 8.240 nan 0.000 0.539 356 P HA 0.196 nan 4.420 nan 0.000 0.260 356 P C -0.052 177.010 177.300 -0.397 0.000 1.651 356 P CA -0.021 62.798 63.100 -0.468 0.000 1.139 356 P CB 0.636 31.811 31.700 -0.875 0.000 1.756 357 Q N 0.934 120.601 119.800 -0.221 0.000 2.499 357 Q HA 0.080 4.412 4.340 -0.013 0.000 0.213 357 Q C 0.190 176.095 176.000 -0.158 0.000 0.929 357 Q CA 0.534 56.146 55.803 -0.318 0.000 0.904 357 Q CB 0.529 28.879 28.738 -0.646 0.000 1.052 357 Q HN 0.328 nan 8.270 nan 0.000 0.589 358 E N 0.704 120.667 120.200 -0.395 0.000 2.199 358 E HA 0.257 4.599 4.350 -0.013 0.000 0.265 358 E C -1.284 175.066 176.600 -0.416 0.000 0.882 358 E CA -0.346 55.797 56.400 -0.428 0.000 0.759 358 E CB 1.069 30.187 29.700 -0.970 0.000 1.148 358 E HN -0.039 nan 8.360 nan 0.000 0.412 359 R N 2.144 122.338 120.500 -0.511 0.000 2.491 359 R HA 0.330 4.662 4.340 -0.013 0.000 0.283 359 R C -0.533 175.548 176.300 -0.366 0.000 1.072 359 R CA -0.073 55.638 56.100 -0.649 0.000 1.048 359 R CB 1.035 30.924 30.300 -0.685 0.000 0.983 359 R HN 0.381 nan 8.270 nan 0.000 0.450 360 S N 2.265 117.790 115.700 -0.292 0.000 2.596 360 S HA 0.109 4.571 4.470 -0.013 0.000 0.318 360 S C -0.503 174.022 174.600 -0.125 0.000 1.097 360 S CA -0.510 57.591 58.200 -0.166 0.000 1.080 360 S CB 0.683 63.812 63.200 -0.119 0.000 0.991 360 S HN 0.725 nan 8.310 nan 0.000 0.471 361 Q N 2.936 122.681 119.800 -0.091 0.000 2.475 361 Q HA -0.212 4.120 4.340 -0.013 0.000 0.280 361 Q C 0.916 176.860 176.000 -0.093 0.000 1.234 361 Q CA 0.812 56.577 55.803 -0.064 0.000 0.873 361 Q CB -1.968 26.759 28.738 -0.019 0.000 1.256 361 Q HN 1.614 nan 8.270 nan 0.000 0.475 362 G N -2.236 106.477 108.800 -0.145 0.000 2.184 362 G HA2 -0.315 3.637 3.960 -0.013 0.000 0.264 362 G HA3 -0.315 3.637 3.960 -0.013 0.000 0.264 362 G C 0.151 174.922 174.900 -0.216 0.000 0.975 362 G CA 0.242 45.241 45.100 -0.168 0.000 0.642 362 G HN 0.434 nan 8.290 nan 0.000 0.536 363 V N 0.117 119.893 119.914 -0.229 0.000 2.823 363 V HA 0.644 4.757 4.120 -0.013 0.000 0.312 363 V C 0.019 175.943 176.094 -0.284 0.000 1.072 363 V CA -1.018 61.159 62.300 -0.205 0.000 0.937 363 V CB 1.828 33.599 31.823 -0.086 0.000 1.013 363 V HN 0.173 nan 8.190 nan 0.000 0.430 364 F N 4.470 124.369 119.950 -0.085 0.000 2.600 364 F HA 0.359 4.877 4.527 -0.015 0.000 0.345 364 F C 0.814 176.537 175.800 -0.128 0.000 1.271 364 F CA 0.141 58.066 58.000 -0.124 0.000 1.138 364 F CB 0.060 38.993 39.000 -0.111 0.000 1.449 364 F HN 0.573 nan 8.300 nan 0.000 0.645 365 Q N 1.907 121.689 119.800 -0.031 0.000 2.456 365 Q HA 0.716 5.048 4.340 -0.013 0.000 0.284 365 Q C -1.686 174.257 176.000 -0.095 0.000 1.061 365 Q CA -1.090 54.675 55.803 -0.065 0.000 0.799 365 Q CB 2.442 31.122 28.738 -0.097 0.000 1.445 365 Q HN 0.395 nan 8.270 nan 0.000 0.411 366 C N 0.956 120.205 119.300 -0.085 0.000 2.817 366 C HA 0.824 5.276 4.460 -0.013 0.000 0.385 366 C C 0.168 175.132 174.990 -0.044 0.000 1.050 366 C CA 1.150 60.130 59.018 -0.064 0.000 1.245 366 C CB 0.475 28.184 27.740 -0.051 0.000 1.706 366 C HN 1.392 nan 8.230 nan 0.000 0.488 367 G N 6.676 115.465 108.800 -0.018 0.000 2.655 367 G HA2 0.041 3.993 3.960 -0.013 0.000 0.680 367 G HA3 0.041 3.993 3.960 -0.013 0.000 0.680 367 G C -3.269 171.547 174.900 -0.139 0.000 1.302 367 G CA -0.423 44.682 45.100 0.009 0.000 0.872 367 G HN 0.710 nan 8.290 nan 0.000 0.540 368 P HA 0.514 nan 4.420 nan 0.000 0.276 368 P C -0.386 177.047 177.300 0.222 0.000 1.230 368 P CA 0.548 63.748 63.100 0.167 0.000 0.776 368 P CB 1.526 33.423 31.700 0.328 0.000 0.888 369 A N 2.459 125.349 122.820 0.117 0.000 2.319 369 A HA 0.420 4.732 4.320 -0.013 0.000 0.310 369 A C 0.293 177.898 177.584 0.034 0.000 1.152 369 A CA -0.706 51.381 52.037 0.083 0.000 0.783 369 A CB 0.687 19.720 19.000 0.054 0.000 1.184 369 A HN 0.481 nan 8.150 nan 0.000 0.474 370 S N 2.359 118.073 115.700 0.025 0.000 2.515 370 S HA 0.132 4.594 4.470 -0.013 0.000 0.285 370 S C 1.351 175.960 174.600 0.015 0.000 1.265 370 S CA -0.165 58.047 58.200 0.021 0.000 1.079 370 S CB 0.087 63.349 63.200 0.104 0.000 0.877 370 S HN 0.781 nan 8.310 nan 0.000 0.493 371 V N 7.285 127.171 119.914 -0.048 0.000 2.407 371 V HA -0.172 3.940 4.120 -0.013 0.000 0.248 371 V C 2.134 178.163 176.094 -0.108 0.000 1.055 371 V CA 1.945 64.135 62.300 -0.183 0.000 1.049 371 V CB -0.710 30.919 31.823 -0.323 0.000 0.662 371 V HN 0.900 nan 8.190 nan 0.000 0.455 372 I N 0.828 121.383 120.570 -0.024 0.000 2.179 372 I HA -0.169 3.993 4.170 -0.013 0.000 0.242 372 I C 2.620 178.807 176.117 0.118 0.000 1.088 372 I CA 1.786 63.091 61.300 0.007 0.000 1.357 372 I CB -0.933 37.047 38.000 -0.033 0.000 1.051 372 I HN 0.406 nan 8.210 nan 0.000 0.409 373 G N 0.341 109.298 108.800 0.261 0.000 2.432 373 G HA2 -0.176 3.776 3.960 -0.013 0.000 0.219 373 G HA3 -0.176 3.776 3.960 -0.013 0.000 0.219 373 G C 1.710 176.729 174.900 0.199 0.000 1.135 373 G CA 0.789 46.080 45.100 0.318 0.000 0.767 373 G HN 0.247 nan 8.290 nan 0.000 0.550 374 V N 0.553 120.565 119.914 0.163 0.000 2.343 374 V HA -0.159 3.953 4.120 -0.013 0.000 0.247 374 V C 2.764 179.051 176.094 0.322 0.000 1.051 374 V CA 2.129 64.580 62.300 0.251 0.000 1.036 374 V CB -0.446 31.489 31.823 0.186 0.000 0.654 374 V HN 0.426 nan 8.190 nan 0.000 0.451 375 R N 0.096 120.705 120.500 0.183 0.000 2.096 375 R HA -0.144 4.188 4.340 -0.013 0.000 0.235 375 R C 1.933 178.427 176.300 0.324 0.000 1.127 375 R CA 1.383 57.585 56.100 0.170 0.000 0.968 375 R CB -0.023 30.266 30.300 -0.019 0.000 0.861 375 R HN 0.447 nan 8.270 nan 0.000 0.440 376 E N -0.733 119.641 120.200 0.290 0.000 2.489 376 E HA 0.072 4.414 4.350 -0.013 0.000 0.193 376 E C 0.831 177.574 176.600 0.239 0.000 1.057 376 E CA 0.744 57.331 56.400 0.313 0.000 0.866 376 E CB 0.668 30.506 29.700 0.230 0.000 0.916 376 E HN 0.583 nan 8.360 nan 0.000 0.500 377 G N 2.405 111.357 108.800 0.253 0.000 2.160 377 G HA2 -0.225 3.728 3.960 -0.013 0.000 0.251 377 G HA3 -0.225 3.728 3.960 -0.013 0.000 0.251 377 G C -0.273 174.567 174.900 -0.101 0.000 1.008 377 G CA 0.203 45.302 45.100 -0.002 0.000 0.724 377 G HN 0.158 nan 8.290 nan 0.000 0.514 378 D N 0.870 121.272 120.400 0.004 0.000 2.994 378 D HA 0.213 4.845 4.640 -0.013 0.000 0.240 378 D C 2.057 178.294 176.300 -0.104 0.000 1.195 378 D CA 0.456 54.431 54.000 -0.042 0.000 0.957 378 D CB 0.328 41.142 40.800 0.022 0.000 1.105 378 D HN 0.629 nan 8.370 nan 0.000 0.477 379 V N -0.495 119.325 119.914 -0.157 0.000 3.383 379 V HA -0.166 3.946 4.120 -0.013 0.000 0.272 379 V C 1.851 177.862 176.094 -0.138 0.000 1.181 379 V CA 0.770 62.980 62.300 -0.150 0.000 1.171 379 V CB -0.499 31.187 31.823 -0.228 0.000 0.800 379 V HN 0.238 nan 8.190 nan 0.000 0.515 380 Q N 0.652 120.365 119.800 -0.144 0.000 2.424 380 Q HA 0.184 4.516 4.340 -0.013 0.000 0.204 380 Q C 0.686 176.584 176.000 -0.169 0.000 0.933 380 Q CA 0.296 56.015 55.803 -0.140 0.000 0.929 380 Q CB -0.168 28.496 28.738 -0.124 0.000 1.037 380 Q HN 0.683 nan 8.270 nan 0.000 0.511 381 L N 2.487 123.590 121.223 -0.200 0.000 2.395 381 L HA 0.264 4.596 4.340 -0.013 0.000 0.269 381 L C 0.286 176.999 176.870 -0.261 0.000 1.133 381 L CA -0.793 53.891 54.840 -0.260 0.000 0.812 381 L CB 0.406 42.253 42.059 -0.354 0.000 1.125 381 L HN -0.019 nan 8.230 nan 0.000 0.452 382 N N 1.391 119.857 118.700 -0.389 0.000 2.508 382 N HA 0.350 5.082 4.740 -0.013 0.000 0.264 382 N C -0.922 174.454 175.510 -0.224 0.000 1.216 382 N CA 0.246 52.922 53.050 -0.624 0.000 0.943 382 N CB 0.766 38.321 38.487 -1.554 0.000 1.113 382 N HN 0.213 nan 8.380 nan 0.000 0.447 383 F N -0.422 119.512 119.950 -0.027 0.000 2.563 383 F HA 0.256 4.777 4.527 -0.010 0.000 0.316 383 F C 0.612 176.402 175.800 -0.017 0.000 1.076 383 F CA -0.841 57.145 58.000 -0.023 0.000 0.921 383 F CB 1.103 40.095 39.000 -0.013 0.000 1.209 383 F HN 0.353 nan 8.300 nan 0.000 0.462 384 D N 1.641 122.139 120.400 0.164 0.000 2.811 384 D HA -0.226 4.406 4.640 -0.013 0.000 0.231 384 D C 1.249 177.620 176.300 0.118 0.000 1.157 384 D CA 0.770 54.843 54.000 0.121 0.000 0.716 384 D CB -0.847 40.024 40.800 0.118 0.000 1.077 384 D HN 0.616 nan 8.370 nan 0.000 0.428 385 M N -1.149 118.491 119.600 0.065 0.000 2.175 385 M HA -0.084 4.388 4.480 -0.013 0.000 0.264 385 M C -0.730 175.619 176.300 0.082 0.000 1.063 385 M CA 1.512 56.847 55.300 0.059 0.000 1.119 385 M CB -0.938 31.668 32.600 0.011 0.000 1.377 385 M HN 0.019 nan 8.290 nan 0.000 0.415 386 P HA -0.192 nan 4.420 nan 0.000 0.215 386 P C 1.391 178.765 177.300 0.123 0.000 1.157 386 P CA 1.277 64.408 63.100 0.051 0.000 0.874 386 P CB -0.214 31.497 31.700 0.019 0.000 0.790 387 F N 0.166 120.113 119.950 -0.006 0.000 2.075 387 F HA -0.157 4.355 4.527 -0.025 0.000 0.297 387 F C 2.009 177.776 175.800 -0.056 0.000 1.113 387 F CA 1.500 59.481 58.000 -0.031 0.000 1.218 387 F CB -0.921 38.033 39.000 -0.077 0.000 0.984 387 F HN -0.235 nan 8.300 nan 0.000 0.472 388 I N -0.839 119.599 120.570 -0.220 0.000 2.252 388 I HA -0.275 3.888 4.170 -0.013 0.000 0.245 388 I C 2.366 178.356 176.117 -0.212 0.000 1.102 388 I CA 1.396 62.464 61.300 -0.387 0.000 1.385 388 I CB -0.686 37.182 38.000 -0.219 0.000 1.064 388 I HN 0.189 nan 8.210 nan 0.000 0.414 389 F N 1.855 121.718 119.950 -0.145 0.000 2.134 389 F HA -0.246 4.274 4.527 -0.012 0.000 0.299 389 F C 2.488 178.243 175.800 -0.075 0.000 1.097 389 F CA 1.544 59.509 58.000 -0.060 0.000 1.264 389 F CB -0.152 38.824 39.000 -0.041 0.000 1.001 389 F HN 0.000 nan 8.300 nan 0.000 0.479 390 A N -0.091 122.769 122.820 0.067 0.000 1.969 390 A HA -0.168 4.145 4.320 -0.013 0.000 0.218 390 A C 2.088 179.580 177.584 -0.153 0.000 1.169 390 A CA 1.665 53.704 52.037 0.003 0.000 0.635 390 A CB -0.777 18.231 19.000 0.013 0.000 0.810 390 A HN 0.543 nan 8.150 nan 0.000 0.445 391 E N -0.321 119.679 120.200 -0.333 0.000 2.085 391 E HA -0.157 4.185 4.350 -0.013 0.000 0.194 391 E C 1.906 178.422 176.600 -0.139 0.000 0.994 391 E CA 1.840 58.047 56.400 -0.322 0.000 0.801 391 E CB -0.256 29.137 29.700 -0.510 0.000 0.743 391 E HN 0.671 nan 8.360 nan 0.000 0.453 392 V N -2.084 117.735 119.914 -0.159 0.000 3.590 392 V HA 0.203 4.315 4.120 -0.013 0.000 0.265 392 V C 0.821 176.817 176.094 -0.162 0.000 1.239 392 V CA 0.691 62.921 62.300 -0.116 0.000 1.117 392 V CB 0.290 32.052 31.823 -0.102 0.000 0.818 392 V HN 0.054 nan 8.190 nan 0.000 0.451 393 N N 0.498 119.059 118.700 -0.231 0.000 2.381 393 N HA 0.469 5.201 4.740 -0.013 0.000 0.257 393 N C -0.013 175.544 175.510 0.079 0.000 1.409 393 N CA 0.464 53.414 53.050 -0.167 0.000 0.836 393 N CB 0.888 39.133 38.487 -0.403 0.000 1.384 393 N HN 0.645 nan 8.380 nan 0.000 0.490 394 A N -0.089 122.788 122.820 0.095 0.000 2.351 394 A HA 0.386 4.698 4.320 -0.013 0.000 0.257 394 A C -0.172 177.515 177.584 0.170 0.000 1.087 394 A CA -0.104 52.075 52.037 0.237 0.000 0.798 394 A CB 0.294 19.371 19.000 0.128 0.000 1.033 394 A HN 0.280 nan 8.150 nan 0.000 0.488 395 D N 0.540 121.067 120.400 0.212 0.000 2.304 395 D HA 0.295 4.928 4.640 -0.013 0.000 0.247 395 D C 0.230 176.545 176.300 0.026 0.000 1.089 395 D CA 0.109 54.117 54.000 0.014 0.000 0.910 395 D CB 0.807 41.570 40.800 -0.062 0.000 1.199 395 D HN 0.492 nan 8.370 nan 0.000 0.426 396 R N 2.702 123.181 120.500 -0.035 0.000 2.343 396 R HA 0.422 4.754 4.340 -0.013 0.000 0.320 396 R C -0.975 175.289 176.300 -0.060 0.000 0.956 396 R CA -0.482 55.600 56.100 -0.030 0.000 0.836 396 R CB 0.373 30.643 30.300 -0.050 0.000 1.151 396 R HN 0.433 nan 8.270 nan 0.000 0.450 397 I N 3.438 123.979 120.570 -0.049 0.000 2.377 397 I HA 0.220 4.382 4.170 -0.013 0.000 0.293 397 I C -0.047 175.940 176.117 -0.217 0.000 0.987 397 I CA -0.659 60.545 61.300 -0.161 0.000 1.185 397 I CB 2.275 40.201 38.000 -0.124 0.000 1.341 397 I HN 0.507 nan 8.210 nan 0.000 0.455 398 T N 4.836 119.199 114.554 -0.318 0.000 2.767 398 T HA 0.399 4.741 4.350 -0.013 0.000 0.284 398 T C -0.992 173.454 174.700 -0.423 0.000 0.973 398 T CA -0.339 61.627 62.100 -0.222 0.000 0.996 398 T CB 0.498 69.313 68.868 -0.089 0.000 0.927 398 T HN 0.311 nan 8.240 nan 0.000 0.456 399 W N 2.371 123.510 121.300 -0.268 0.000 2.706 399 W HA 0.655 5.307 4.660 -0.015 0.000 0.346 399 W C -0.757 175.631 176.519 -0.219 0.000 1.071 399 W CA -1.019 56.151 57.345 -0.293 0.000 1.206 399 W CB 1.030 30.198 29.460 -0.487 0.000 1.413 399 W HN 0.165 nan 8.180 nan 0.000 0.542 400 L N 2.671 123.771 121.223 -0.204 0.000 2.329 400 L HA 0.457 4.789 4.340 -0.013 0.000 0.279 400 L C -1.262 175.273 176.870 -0.558 0.000 1.014 400 L CA -1.123 53.380 54.840 -0.561 0.000 0.814 400 L CB 1.130 42.398 42.059 -1.318 0.000 1.257 400 L HN 0.581 nan 8.230 nan 0.000 0.424 401 Y N 2.920 122.998 120.300 -0.370 0.000 2.433 401 Y HA 0.344 4.887 4.550 -0.012 0.000 0.337 401 Y C -0.881 174.975 175.900 -0.074 0.000 1.026 401 Y CA -0.732 57.261 58.100 -0.178 0.000 1.037 401 Y CB 1.717 40.164 38.460 -0.021 0.000 1.245 401 Y HN 0.549 nan 8.280 nan 0.000 0.443 402 D N 4.840 124.839 120.400 -0.668 0.000 2.461 402 D HA 0.108 4.740 4.640 -0.013 0.000 0.240 402 D C 0.107 175.989 176.300 -0.696 0.000 1.094 402 D CA -0.104 53.656 54.000 -0.400 0.000 0.868 402 D CB 1.101 41.904 40.800 0.004 0.000 1.062 402 D HN 0.872 nan 8.370 nan 0.000 0.530 403 N N 1.817 120.210 118.700 -0.511 0.000 2.289 403 N HA -0.190 4.542 4.740 -0.013 0.000 0.184 403 N C 1.818 177.262 175.510 -0.110 0.000 1.016 403 N CA 2.128 55.043 53.050 -0.225 0.000 0.872 403 N CB 0.216 38.752 38.487 0.081 0.000 0.973 403 N HN 0.488 nan 8.380 nan 0.000 0.433 404 T N -3.862 110.638 114.554 -0.089 0.000 2.867 404 T HA -0.120 4.222 4.350 -0.013 0.000 0.268 404 T C 1.790 176.467 174.700 -0.039 0.000 1.057 404 T CA 1.806 63.882 62.100 -0.039 0.000 1.136 404 T CB -0.845 68.011 68.868 -0.019 0.000 0.874 404 T HN 0.323 nan 8.240 nan 0.000 0.466 405 T N -3.081 111.436 114.554 -0.062 0.000 3.022 405 T HA 0.488 4.830 4.350 -0.013 0.000 0.250 405 T C 1.933 176.611 174.700 -0.036 0.000 1.060 405 T CA 0.680 62.760 62.100 -0.033 0.000 1.013 405 T CB -0.237 68.625 68.868 -0.011 0.000 0.982 405 T HN 0.964 nan 8.240 nan 0.000 0.508 406 G N 1.813 110.547 108.800 -0.110 0.000 2.168 406 G HA2 -0.279 3.674 3.960 -0.013 0.000 0.263 406 G HA3 -0.279 3.674 3.960 -0.013 0.000 0.263 406 G C -0.031 174.877 174.900 0.014 0.000 0.977 406 G CA 0.352 45.427 45.100 -0.043 0.000 0.659 406 G HN 0.679 nan 8.290 nan 0.000 0.533 407 K N 0.237 120.631 120.400 -0.009 0.000 2.218 407 K HA 0.513 4.825 4.320 -0.013 0.000 0.276 407 K C 0.245 177.050 176.600 0.340 0.000 1.022 407 K CA -0.104 56.305 56.287 0.204 0.000 0.946 407 K CB 1.014 33.666 32.500 0.253 0.000 1.000 407 K HN 0.325 nan 8.250 nan 0.000 0.468 408 Q N 3.186 123.297 119.800 0.519 0.000 2.305 408 Q HA 0.392 4.725 4.340 -0.013 0.000 0.271 408 Q C -2.053 174.386 176.000 0.731 0.000 1.046 408 Q CA -0.859 55.283 55.803 0.565 0.000 0.798 408 Q CB 1.279 30.277 28.738 0.434 0.000 1.286 408 Q HN 0.703 nan 8.270 nan 0.000 0.435 409 W N 2.751 124.341 121.300 0.483 0.000 3.129 409 W HA 0.501 5.154 4.660 -0.011 0.000 0.333 409 W C -1.469 175.233 176.519 0.306 0.000 1.141 409 W CA -1.083 56.503 57.345 0.401 0.000 1.224 409 W CB 0.753 30.329 29.460 0.195 0.000 1.393 409 W HN 0.426 nan 8.180 nan 0.000 0.499 410 K N 3.302 123.757 120.400 0.091 0.000 2.416 410 K HA -0.027 4.285 4.320 -0.013 0.000 0.283 410 K C 0.562 177.019 176.600 -0.239 0.000 1.037 410 K CA 0.109 56.028 56.287 -0.614 0.000 0.995 410 K CB 0.701 32.703 32.500 -0.830 0.000 0.938 410 K HN 0.799 nan 8.250 nan 0.000 0.475 411 N N 1.674 120.185 118.700 -0.315 0.000 2.428 411 N HA -0.057 4.675 4.740 -0.013 0.000 0.181 411 N C -0.558 174.861 175.510 -0.151 0.000 1.028 411 N CA 0.812 53.779 53.050 -0.139 0.000 0.877 411 N CB 0.395 38.806 38.487 -0.126 0.000 1.064 411 N HN 0.695 nan 8.380 nan 0.000 0.434 412 S N -0.970 114.592 115.700 -0.229 0.000 2.636 412 S HA 0.517 4.979 4.470 -0.013 0.000 0.266 412 S C -1.350 173.130 174.600 -0.200 0.000 1.147 412 S CA -0.859 57.239 58.200 -0.170 0.000 0.815 412 S CB 2.075 65.213 63.200 -0.103 0.000 1.119 412 S HN -0.130 nan 8.310 nan 0.000 0.470 413 V N 1.990 121.822 119.914 -0.137 0.000 2.577 413 V HA 0.631 4.743 4.120 -0.013 0.000 0.303 413 V C -1.003 175.042 176.094 -0.083 0.000 1.042 413 V CA -0.606 61.620 62.300 -0.123 0.000 0.872 413 V CB 1.770 33.526 31.823 -0.111 0.000 0.998 413 V HN 0.920 nan 8.190 nan 0.000 0.423 414 N N 2.216 120.860 118.700 -0.093 0.000 2.407 414 N HA 0.277 5.009 4.740 -0.013 0.000 0.277 414 N C 0.520 175.952 175.510 -0.129 0.000 0.995 414 N CA -0.009 52.982 53.050 -0.099 0.000 0.903 414 N CB 2.245 40.626 38.487 -0.176 0.000 1.218 414 N HN 0.707 nan 8.380 nan 0.000 0.487 415 S N 1.918 117.575 115.700 -0.070 0.000 2.554 415 S HA 0.043 4.505 4.470 -0.013 0.000 0.226 415 S C 0.842 175.409 174.600 -0.055 0.000 0.980 415 S CA -0.154 57.972 58.200 -0.124 0.000 0.939 415 S CB -0.351 62.742 63.200 -0.178 0.000 0.832 415 S HN 0.754 nan 8.310 nan 0.000 0.486 416 H N -1.688 117.331 119.070 -0.085 0.000 3.233 416 H HA 0.292 4.840 4.556 -0.013 0.000 0.263 416 H C 1.385 176.677 175.328 -0.060 0.000 1.168 416 H CA 0.607 56.613 56.048 -0.070 0.000 1.159 416 H CB -0.249 29.475 29.762 -0.063 0.000 1.593 416 H HN 0.335 nan 8.280 nan 0.000 0.580 417 T N 1.144 115.317 114.554 -0.635 0.000 2.896 417 T HA 0.105 4.447 4.350 -0.013 0.000 0.263 417 T C 0.984 175.594 174.700 -0.151 0.000 1.050 417 T CA 0.040 61.903 62.100 -0.395 0.000 1.140 417 T CB -0.163 68.478 68.868 -0.378 0.000 0.877 417 T HN 0.108 nan 8.240 nan 0.000 0.457 418 I N 1.980 122.482 120.570 -0.113 0.000 2.588 418 I HA 0.329 4.491 4.170 -0.013 0.000 0.283 418 I C 1.399 177.492 176.117 -0.040 0.000 1.119 418 I CA 0.556 61.830 61.300 -0.044 0.000 1.419 418 I CB -0.269 37.713 38.000 -0.030 0.000 1.394 418 I HN 0.521 nan 8.210 nan 0.000 0.562 419 G N 6.890 115.684 108.800 -0.010 0.000 2.587 419 G HA2 -0.231 3.721 3.960 -0.013 0.000 0.274 419 G HA3 -0.231 3.721 3.960 -0.013 0.000 0.274 419 G C -0.087 174.787 174.900 -0.043 0.000 1.046 419 G CA -0.543 44.543 45.100 -0.022 0.000 1.308 419 G HN 0.688 nan 8.290 nan 0.000 0.529 420 R N -0.212 120.278 120.500 -0.016 0.000 2.807 420 R HA 0.554 4.886 4.340 -0.013 0.000 0.276 420 R C 0.370 176.668 176.300 -0.004 0.000 0.979 420 R CA -1.228 54.772 56.100 -0.167 0.000 0.928 420 R CB 1.293 31.386 30.300 -0.344 0.000 1.191 420 R HN 0.526 nan 8.270 nan 0.000 0.471 421 Y N 0.483 120.814 120.300 0.052 0.000 3.054 421 Y HA -0.250 4.289 4.550 -0.018 0.000 0.210 421 Y C 0.192 176.159 175.900 0.112 0.000 1.212 421 Y CA -0.332 57.781 58.100 0.021 0.000 1.118 421 Y CB -1.654 36.726 38.460 -0.133 0.000 1.292 421 Y HN 0.479 nan 8.280 nan 0.000 0.533 422 I N 1.175 121.816 120.570 0.120 0.000 2.664 422 I HA -0.024 4.138 4.170 -0.013 0.000 0.284 422 I C 0.600 176.700 176.117 -0.028 0.000 1.154 422 I CA 0.820 62.101 61.300 -0.032 0.000 1.402 422 I CB 0.317 38.233 38.000 -0.139 0.000 1.395 422 I HN 0.207 nan 8.210 nan 0.000 0.545 423 S N 4.082 119.739 115.700 -0.072 0.000 2.600 423 S HA 0.714 5.176 4.470 -0.013 0.000 0.300 423 S C -0.241 174.326 174.600 -0.056 0.000 1.087 423 S CA -0.670 57.457 58.200 -0.121 0.000 0.965 423 S CB 2.489 65.514 63.200 -0.292 0.000 1.089 423 S HN 0.698 nan 8.310 nan 0.000 0.496 424 T N 0.808 115.361 114.554 -0.002 0.000 2.889 424 T HA 0.378 4.721 4.350 -0.013 0.000 0.315 424 T C -1.445 173.433 174.700 0.295 0.000 1.291 424 T CA -0.757 61.422 62.100 0.131 0.000 1.028 424 T CB 1.207 70.058 68.868 -0.029 0.000 1.235 424 T HN 0.604 nan 8.240 nan 0.000 0.491 425 K N 2.349 122.961 120.400 0.353 0.000 2.448 425 K HA 0.544 4.856 4.320 -0.013 0.000 0.278 425 K C 0.376 177.092 176.600 0.195 0.000 1.009 425 K CA -0.282 56.199 56.287 0.323 0.000 0.995 425 K CB 0.409 33.016 32.500 0.177 0.000 0.917 425 K HN 0.695 nan 8.250 nan 0.000 0.481 426 A N 3.337 126.250 122.820 0.154 0.000 2.406 426 A HA 0.175 4.488 4.320 -0.013 0.000 0.243 426 A C -0.299 177.303 177.584 0.031 0.000 1.082 426 A CA -0.579 51.506 52.037 0.080 0.000 0.786 426 A CB 0.516 19.549 19.000 0.056 0.000 1.029 426 A HN 0.564 nan 8.150 nan 0.000 0.495 427 V N 1.563 121.462 119.914 -0.024 0.000 2.479 427 V HA 0.421 4.533 4.120 -0.013 0.000 0.281 427 V C 1.564 177.611 176.094 -0.079 0.000 1.031 427 V CA 1.482 63.707 62.300 -0.126 0.000 1.038 427 V CB -0.081 31.630 31.823 -0.186 0.000 0.981 427 V HN 1.907 nan 8.190 nan 0.000 0.478 428 G N 3.998 112.751 108.800 -0.078 0.000 2.162 428 G HA2 -0.219 3.733 3.960 -0.013 0.000 0.260 428 G HA3 -0.219 3.733 3.960 -0.013 0.000 0.260 428 G C 0.208 175.103 174.900 -0.010 0.000 0.976 428 G CA 0.666 45.741 45.100 -0.042 0.000 0.655 428 G HN 1.555 nan 8.290 nan 0.000 0.533 429 S N -2.116 113.587 115.700 0.005 0.000 2.643 429 S HA 0.630 5.092 4.470 -0.013 0.000 0.270 429 S C 0.140 174.764 174.600 0.040 0.000 1.166 429 S CA -0.064 58.148 58.200 0.019 0.000 0.815 429 S CB 1.104 64.314 63.200 0.018 0.000 1.139 429 S HN 0.018 nan 8.310 nan 0.000 0.472 430 N N 0.790 119.516 118.700 0.043 0.000 2.322 430 N HA 0.357 5.089 4.740 -0.013 0.000 0.194 430 N C 0.549 176.142 175.510 0.139 0.000 1.126 430 N CA 0.436 53.521 53.050 0.059 0.000 0.845 430 N CB 0.132 38.628 38.487 0.015 0.000 0.976 430 N HN 0.833 nan 8.380 nan 0.000 0.475 431 A N 0.819 123.710 122.820 0.118 0.000 2.448 431 A HA 0.121 4.433 4.320 -0.013 0.000 0.239 431 A C 0.692 178.395 177.584 0.198 0.000 1.080 431 A CA -0.213 51.896 52.037 0.121 0.000 0.779 431 A CB 0.333 19.363 19.000 0.049 0.000 1.026 431 A HN 0.276 nan 8.150 nan 0.000 0.499 432 R N 1.728 122.259 120.500 0.052 0.000 2.202 432 R HA 0.419 4.751 4.340 -0.013 0.000 0.334 432 R C -0.406 175.773 176.300 -0.201 0.000 1.036 432 R CA -0.148 55.781 56.100 -0.284 0.000 0.878 432 R CB 0.344 30.189 30.300 -0.758 0.000 1.067 432 R HN 0.818 nan 8.270 nan 0.000 0.457 433 M N 4.833 124.354 119.600 -0.131 0.000 2.088 433 M HA 0.155 4.628 4.480 -0.013 0.000 0.346 433 M C -0.921 175.320 176.300 -0.099 0.000 1.111 433 M CA -0.386 54.873 55.300 -0.069 0.000 1.017 433 M CB 1.090 33.693 32.600 0.005 0.000 1.568 433 M HN 0.531 nan 8.290 nan 0.000 0.445 434 D N 4.849 125.204 120.400 -0.075 0.000 2.295 434 D HA 0.217 4.849 4.640 -0.013 0.000 0.248 434 D C 0.206 176.509 176.300 0.006 0.000 1.154 434 D CA -0.070 53.907 54.000 -0.038 0.000 0.857 434 D CB 1.262 42.058 40.800 -0.006 0.000 1.117 434 D HN 0.597 nan 8.370 nan 0.000 0.468 435 V N 1.508 121.438 119.914 0.027 0.000 3.006 435 V HA 0.159 4.271 4.120 -0.013 0.000 0.357 435 V C 1.422 177.602 176.094 0.144 0.000 1.377 435 V CA -0.351 61.993 62.300 0.073 0.000 1.198 435 V CB 0.012 31.879 31.823 0.072 0.000 1.216 435 V HN 0.397 nan 8.190 nan 0.000 0.520 436 T N 2.074 116.686 114.554 0.098 0.000 2.720 436 T HA -0.192 4.150 4.350 -0.013 0.000 0.268 436 T C 1.616 176.379 174.700 0.105 0.000 1.037 436 T CA 2.394 64.554 62.100 0.101 0.000 1.144 436 T CB -0.391 68.503 68.868 0.042 0.000 0.864 436 T HN 0.880 nan 8.240 nan 0.000 0.444 437 D N 1.226 121.660 120.400 0.057 0.000 2.351 437 D HA -0.123 4.509 4.640 -0.013 0.000 0.216 437 D C 1.680 177.970 176.300 -0.016 0.000 0.968 437 D CA 0.770 54.776 54.000 0.010 0.000 0.899 437 D CB -0.142 40.657 40.800 -0.002 0.000 0.907 437 D HN 0.206 nan 8.370 nan 0.000 0.514 438 K N -0.446 119.975 120.400 0.035 0.000 2.314 438 K HA -0.013 4.299 4.320 -0.013 0.000 0.198 438 K C 1.395 177.935 176.600 -0.101 0.000 1.045 438 K CA 0.366 56.632 56.287 -0.034 0.000 0.988 438 K CB -0.234 32.249 32.500 -0.029 0.000 0.783 438 K HN 0.331 nan 8.250 nan 0.000 0.484 439 Y N 1.201 121.499 120.300 -0.003 0.000 2.497 439 Y HA 0.036 4.573 4.550 -0.022 0.000 0.265 439 Y C 0.486 176.372 175.900 -0.022 0.000 1.111 439 Y CA 0.071 58.178 58.100 0.011 0.000 1.288 439 Y CB 0.566 39.051 38.460 0.040 0.000 1.082 439 Y HN -0.038 nan 8.280 nan 0.000 0.536 440 K N -2.613 117.839 120.400 0.086 0.000 2.607 440 K HA 0.317 4.629 4.320 -0.013 0.000 0.287 440 K C -1.759 174.839 176.600 -0.003 0.000 0.996 440 K CA -0.970 55.355 56.287 0.063 0.000 0.876 440 K CB 0.766 33.306 32.500 0.067 0.000 1.496 440 K HN -0.218 nan 8.250 nan 0.000 0.415 441 Y N 0.747 121.093 120.300 0.078 0.000 2.314 441 Y HA 0.240 4.784 4.550 -0.011 0.000 0.334 441 Y C -1.945 173.984 175.900 0.048 0.000 1.266 441 Y CA -1.583 56.556 58.100 0.065 0.000 1.391 441 Y CB 0.453 38.957 38.460 0.073 0.000 1.306 441 Y HN 0.446 nan 8.280 nan 0.000 0.558 442 P HA -0.071 nan 4.420 nan 0.000 0.264 442 P C -0.749 176.606 177.300 0.091 0.000 1.183 442 P CA 0.244 63.406 63.100 0.104 0.000 0.763 442 P CB 0.444 32.196 31.700 0.087 0.000 0.807 443 E N 2.088 122.321 120.200 0.055 0.000 2.414 443 E HA 0.198 4.540 4.350 -0.013 0.000 0.263 443 E C 1.580 178.191 176.600 0.019 0.000 1.000 443 E CA 1.190 57.616 56.400 0.043 0.000 0.914 443 E CB 0.046 29.772 29.700 0.043 0.000 0.948 443 E HN 0.782 nan 8.360 nan 0.000 0.444 444 G N 2.542 111.348 108.800 0.009 0.000 2.213 444 G HA2 -0.293 3.659 3.960 -0.013 0.000 0.236 444 G HA3 -0.293 3.659 3.960 -0.013 0.000 0.236 444 G C 0.410 175.312 174.900 0.002 0.000 0.991 444 G CA 0.353 45.445 45.100 -0.014 0.000 0.629 444 G HN 0.681 nan 8.290 nan 0.000 0.517 445 S N 0.161 115.877 115.700 0.026 0.000 2.632 445 S HA 0.575 5.037 4.470 -0.013 0.000 0.271 445 S C 0.825 175.431 174.600 0.010 0.000 1.260 445 S CA 0.229 58.446 58.200 0.028 0.000 1.010 445 S CB 1.795 65.035 63.200 0.067 0.000 0.965 445 S HN 0.056 nan 8.310 nan 0.000 0.534 446 D N 1.118 121.513 120.400 -0.008 0.000 2.178 446 D HA -0.087 4.545 4.640 -0.013 0.000 0.202 446 D C 1.815 178.085 176.300 -0.050 0.000 0.974 446 D CA 1.260 55.247 54.000 -0.022 0.000 0.841 446 D CB -0.190 40.596 40.800 -0.025 0.000 0.953 446 D HN 0.578 nan 8.370 nan 0.000 0.478 447 Q N 0.904 120.644 119.800 -0.100 0.000 2.030 447 Q HA -0.150 4.182 4.340 -0.013 0.000 0.204 447 Q C 2.015 177.912 176.000 -0.173 0.000 0.986 447 Q CA 0.989 56.623 55.803 -0.281 0.000 0.843 447 Q CB -0.426 27.970 28.738 -0.570 0.000 0.904 447 Q HN 0.246 nan 8.270 nan 0.000 0.420 448 E N 0.595 120.802 120.200 0.011 0.000 2.114 448 E HA -0.275 4.067 4.350 -0.013 0.000 0.199 448 E C 1.977 178.668 176.600 0.150 0.000 1.008 448 E CA 1.440 57.930 56.400 0.150 0.000 0.810 448 E CB 0.060 29.843 29.700 0.140 0.000 0.739 448 E HN 0.102 nan 8.360 nan 0.000 0.456 449 R N 0.313 120.859 120.500 0.077 0.000 2.066 449 R HA -0.057 4.275 4.340 -0.013 0.000 0.232 449 R C 2.605 178.987 176.300 0.136 0.000 1.131 449 R CA 1.877 58.031 56.100 0.090 0.000 0.955 449 R CB -0.257 30.059 30.300 0.027 0.000 0.851 449 R HN 0.246 nan 8.270 nan 0.000 0.432 450 Q N -0.760 119.071 119.800 0.052 0.000 2.096 450 Q HA -0.149 4.183 4.340 -0.013 0.000 0.204 450 Q C 2.022 178.059 176.000 0.062 0.000 0.982 450 Q CA 1.803 57.625 55.803 0.030 0.000 0.850 450 Q CB -0.099 28.613 28.738 -0.043 0.000 0.901 450 Q HN 0.167 nan 8.270 nan 0.000 0.422 451 V N 0.415 120.379 119.914 0.083 0.000 2.358 451 V HA -0.239 3.873 4.120 -0.013 0.000 0.246 451 V C 1.869 178.087 176.094 0.206 0.000 1.047 451 V CA 1.690 64.078 62.300 0.146 0.000 1.035 451 V CB -0.598 31.382 31.823 0.262 0.000 0.658 451 V HN 0.313 nan 8.190 nan 0.000 0.452 452 F N 0.863 120.926 119.950 0.187 0.000 2.065 452 F HA -0.252 4.266 4.527 -0.015 0.000 0.298 452 F C 2.634 178.469 175.800 0.059 0.000 1.112 452 F CA 1.982 60.112 58.000 0.215 0.000 1.212 452 F CB -0.213 38.902 39.000 0.193 0.000 0.975 452 F HN 0.093 nan 8.300 nan 0.000 0.476 453 Q N 0.702 120.645 119.800 0.237 0.000 2.124 453 Q HA -0.233 4.099 4.340 -0.013 0.000 0.202 453 Q C 2.259 178.230 176.000 -0.047 0.000 0.977 453 Q CA 1.724 57.584 55.803 0.095 0.000 0.850 453 Q CB -0.621 28.187 28.738 0.116 0.000 0.901 453 Q HN 0.533 nan 8.270 nan 0.000 0.429 454 K N 0.243 120.612 120.400 -0.050 0.000 2.002 454 K HA -0.107 4.206 4.320 -0.013 0.000 0.209 454 K C 1.988 178.471 176.600 -0.195 0.000 1.048 454 K CA 1.311 57.543 56.287 -0.093 0.000 0.930 454 K CB -0.082 32.384 32.500 -0.058 0.000 0.714 454 K HN 0.104 nan 8.250 nan 0.000 0.438 455 A N 1.420 124.037 122.820 -0.339 0.000 1.902 455 A HA -0.145 4.168 4.320 -0.013 0.000 0.217 455 A C 2.083 179.408 177.584 -0.432 0.000 1.181 455 A CA 1.395 53.111 52.037 -0.535 0.000 0.623 455 A CB -0.679 17.629 19.000 -1.153 0.000 0.818 455 A HN 0.418 nan 8.150 nan 0.000 0.443 456 L N 0.287 121.245 121.223 -0.441 0.000 2.083 456 L HA -0.041 4.291 4.340 -0.013 0.000 0.209 456 L C 2.336 179.095 176.870 -0.186 0.000 1.083 456 L CA 2.317 56.961 54.840 -0.328 0.000 0.752 456 L CB -1.044 40.821 42.059 -0.324 0.000 0.899 456 L HN 0.296 nan 8.230 nan 0.000 0.433 457 G N -0.995 107.714 108.800 -0.152 0.000 2.448 457 G HA2 -0.247 3.705 3.960 -0.013 0.000 0.219 457 G HA3 -0.247 3.705 3.960 -0.013 0.000 0.219 457 G C 1.667 176.506 174.900 -0.102 0.000 1.127 457 G CA 0.790 45.832 45.100 -0.097 0.000 0.766 457 G HN 0.442 nan 8.290 nan 0.000 0.552 458 K N -0.456 119.862 120.400 -0.137 0.000 2.167 458 K HA 0.232 4.544 4.320 -0.013 0.000 0.203 458 K C 2.306 178.837 176.600 -0.115 0.000 1.052 458 K CA 0.270 56.482 56.287 -0.125 0.000 0.956 458 K CB -0.053 32.355 32.500 -0.152 0.000 0.735 458 K HN 0.266 nan 8.250 nan 0.000 0.451 459 L N 0.361 121.506 121.223 -0.131 0.000 2.162 459 L HA -0.023 4.309 4.340 -0.013 0.000 0.205 459 L C 0.522 177.348 176.870 -0.074 0.000 1.086 459 L CA 0.947 55.725 54.840 -0.104 0.000 0.778 459 L CB 0.172 42.160 42.059 -0.119 0.000 0.928 459 L HN -0.055 nan 8.230 nan 0.000 0.446 460 K N 0.227 120.584 120.400 -0.072 0.000 2.827 460 K HA 0.334 4.646 4.320 -0.013 0.000 0.186 460 K C -2.296 174.280 176.600 -0.041 0.000 1.093 460 K CA -1.340 54.919 56.287 -0.046 0.000 0.993 460 K CB 1.264 33.744 32.500 -0.033 0.000 1.199 460 K HN -0.100 nan 8.250 nan 0.000 0.598 480 P HA 0.127 nan 4.420 nan 0.000 0.264 480 P C 0.205 177.506 177.300 0.002 0.000 1.193 480 P CA 0.446 63.546 63.100 0.001 0.000 0.763 480 P CB 0.957 32.657 31.700 0.000 0.000 0.810 481 S N 1.565 117.267 115.700 0.004 0.000 2.461 481 S HA 0.050 4.512 4.470 -0.013 0.000 0.228 481 S C 0.846 175.449 174.600 0.006 0.000 1.005 481 S CA 0.520 58.723 58.200 0.004 0.000 0.942 481 S CB -0.028 63.175 63.200 0.005 0.000 0.776 481 S HN 0.363 nan 8.310 nan 0.000 0.514 482 I N 2.824 123.398 120.570 0.006 0.000 2.378 482 I HA 0.465 4.627 4.170 -0.013 0.000 0.291 482 I C -0.246 175.874 176.117 0.006 0.000 0.992 482 I CA -1.101 60.204 61.300 0.008 0.000 1.154 482 I CB 1.230 39.236 38.000 0.010 0.000 1.315 482 I HN 0.115 nan 8.210 nan 0.000 0.448 483 I N 2.225 122.799 120.570 0.007 0.000 2.569 483 I HA 0.986 5.148 4.170 -0.013 0.000 0.296 483 I C -0.067 176.056 176.117 0.009 0.000 1.028 483 I CA -0.511 60.792 61.300 0.006 0.000 1.082 483 I CB 2.335 40.338 38.000 0.005 0.000 1.264 483 I HN 0.547 nan 8.210 nan 0.000 0.429 484 G N 3.246 112.051 108.800 0.008 0.000 2.642 484 G HA2 0.705 4.657 3.960 -0.013 0.000 0.293 484 G HA3 0.705 4.657 3.960 -0.013 0.000 0.293 484 G C -1.789 173.120 174.900 0.015 0.000 1.341 484 G CA -0.815 44.293 45.100 0.013 0.000 0.916 484 G HN 0.825 nan 8.290 nan 0.000 0.474 485 K N 0.157 120.570 120.400 0.022 0.000 2.557 485 K HA 0.496 4.808 4.320 -0.013 0.000 0.257 485 K C -1.751 174.867 176.600 0.031 0.000 0.933 485 K CA -0.580 55.722 56.287 0.024 0.000 0.820 485 K CB 1.414 33.928 32.500 0.023 0.000 1.330 485 K HN 0.368 nan 8.250 nan 0.000 0.432 486 L N 4.402 125.645 121.223 0.032 0.000 2.264 486 L HA 0.525 4.857 4.340 -0.013 0.000 0.289 486 L C -0.133 176.754 176.870 0.028 0.000 1.044 486 L CA -0.761 54.100 54.840 0.035 0.000 0.807 486 L CB 1.148 43.231 42.059 0.040 0.000 1.192 486 L HN 0.447 nan 8.230 nan 0.000 0.425 487 K N 2.757 123.171 120.400 0.024 0.000 2.207 487 K HA 0.483 4.795 4.320 -0.013 0.000 0.255 487 K C -0.821 175.784 176.600 0.008 0.000 0.941 487 K CA -0.792 55.505 56.287 0.017 0.000 0.825 487 K CB 2.648 35.158 32.500 0.016 0.000 1.119 487 K HN 0.164 nan 8.250 nan 0.000 0.430 488 V N 2.579 122.496 119.914 0.004 0.000 2.455 488 V HA 0.103 4.215 4.120 -0.013 0.000 0.273 488 V C 1.191 177.283 176.094 -0.004 0.000 1.045 488 V CA 0.093 62.392 62.300 -0.003 0.000 0.976 488 V CB 0.901 32.723 31.823 -0.002 0.000 0.993 488 V HN 0.920 nan 8.190 nan 0.000 0.475 489 A N 3.910 126.725 122.820 -0.008 0.000 2.195 489 A HA 0.648 4.960 4.320 -0.013 0.000 0.210 489 A C 1.013 178.594 177.584 -0.005 0.000 1.165 489 A CA 0.802 52.836 52.037 -0.006 0.000 0.806 489 A CB 0.087 19.082 19.000 -0.008 0.000 0.847 489 A HN 1.034 nan 8.150 nan 0.000 0.482 490 G N -1.869 106.928 108.800 -0.005 0.000 2.663 490 G HA2 0.459 4.411 3.960 -0.013 0.000 0.299 490 G HA3 0.459 4.411 3.960 -0.013 0.000 0.299 490 G C -0.569 174.330 174.900 -0.001 0.000 1.372 490 G CA -0.555 44.544 45.100 -0.002 0.000 0.781 490 G HN 0.158 nan 8.290 nan 0.000 0.491 491 M N 0.676 120.277 119.600 0.001 0.000 2.248 491 M HA 0.350 4.822 4.480 -0.013 0.000 0.345 491 M C -0.954 175.352 176.300 0.009 0.000 1.243 491 M CA 0.265 55.567 55.300 0.002 0.000 1.090 491 M CB 0.089 32.689 32.600 0.001 0.000 1.683 491 M HN 0.267 nan 8.290 nan 0.000 0.450 492 L N 5.450 126.678 121.223 0.008 0.000 2.294 492 L HA 0.719 5.051 4.340 -0.013 0.000 0.283 492 L C -0.613 176.273 176.870 0.026 0.000 1.015 492 L CA -0.619 54.227 54.840 0.009 0.000 0.831 492 L CB 1.236 43.291 42.059 -0.006 0.000 1.217 492 L HN 0.866 nan 8.230 nan 0.000 0.420 493 A N 3.064 125.916 122.820 0.054 0.000 2.520 493 A HA 0.641 4.953 4.320 -0.013 0.000 0.298 493 A C -0.770 176.918 177.584 0.173 0.000 1.051 493 A CA -0.539 51.550 52.037 0.087 0.000 0.690 493 A CB 1.709 20.744 19.000 0.058 0.000 1.281 493 A HN 0.254 nan 8.150 nan 0.000 0.402 494 V N 2.094 122.157 119.914 0.247 0.000 2.458 494 V HA 0.437 4.549 4.120 -0.013 0.000 0.287 494 V C 1.472 177.770 176.094 0.340 0.000 1.009 494 V CA 1.955 64.512 62.300 0.428 0.000 1.091 494 V CB -0.078 32.070 31.823 0.541 0.000 0.960 494 V HN 2.159 nan 8.190 nan 0.000 0.476 495 G N 4.560 113.445 108.800 0.141 0.000 2.316 495 G HA2 -0.153 3.799 3.960 -0.013 0.000 0.203 495 G HA3 -0.153 3.799 3.960 -0.013 0.000 0.203 495 G C 0.179 174.950 174.900 -0.215 0.000 0.999 495 G CA -0.320 44.474 45.100 -0.510 0.000 0.649 495 G HN 0.568 nan 8.290 nan 0.000 0.489 496 K N 1.470 121.927 120.400 0.096 0.000 2.118 496 K HA 0.510 4.823 4.320 -0.013 0.000 0.254 496 K C 0.316 177.076 176.600 0.268 0.000 0.961 496 K CA -0.700 55.661 56.287 0.124 0.000 0.876 496 K CB 1.266 33.819 32.500 0.087 0.000 1.077 496 K HN 0.375 nan 8.250 nan 0.000 0.440 497 E N 1.065 121.380 120.200 0.193 0.000 2.404 497 E HA 0.045 4.387 4.350 -0.013 0.000 0.261 497 E C -0.444 176.262 176.600 0.177 0.000 1.074 497 E CA -0.343 56.189 56.400 0.221 0.000 0.917 497 E CB 0.460 30.233 29.700 0.121 0.000 0.965 497 E HN 0.093 nan 8.360 nan 0.000 0.433 498 V N 2.927 122.936 119.914 0.158 0.000 2.407 498 V HA 0.195 4.307 4.120 -0.013 0.000 0.278 498 V C -0.156 175.921 176.094 -0.028 0.000 1.037 498 V CA -0.712 61.604 62.300 0.026 0.000 0.900 498 V CB 0.753 32.547 31.823 -0.047 0.000 0.983 498 V HN 0.551 nan 8.190 nan 0.000 0.459 499 N N 5.977 124.659 118.700 -0.031 0.000 2.442 499 N HA 0.651 5.383 4.740 -0.013 0.000 0.274 499 N C -1.035 174.446 175.510 -0.049 0.000 1.002 499 N CA -0.290 52.734 53.050 -0.043 0.000 0.910 499 N CB 2.340 40.818 38.487 -0.016 0.000 1.244 499 N HN 0.486 nan 8.380 nan 0.000 0.492 500 L N 0.676 121.856 121.223 -0.071 0.000 2.257 500 L HA 0.753 5.085 4.340 -0.013 0.000 0.257 500 L C -0.499 176.359 176.870 -0.020 0.000 1.033 500 L CA -1.147 53.665 54.840 -0.047 0.000 0.835 500 L CB 2.108 44.126 42.059 -0.068 0.000 1.398 500 L HN -0.012 nan 8.230 nan 0.000 0.429 501 V N 1.607 121.528 119.914 0.011 0.000 2.733 501 V HA 0.329 4.441 4.120 -0.013 0.000 0.306 501 V C -1.063 175.070 176.094 0.065 0.000 1.084 501 V CA -0.449 61.876 62.300 0.043 0.000 0.905 501 V CB 2.375 34.215 31.823 0.030 0.000 1.010 501 V HN 0.461 nan 8.190 nan 0.000 0.424 502 L N 6.357 127.648 121.223 0.114 0.000 2.255 502 L HA 0.578 4.910 4.340 -0.013 0.000 0.289 502 L C -0.661 176.264 176.870 0.091 0.000 1.046 502 L CA 0.294 55.195 54.840 0.102 0.000 0.816 502 L CB 0.586 42.719 42.059 0.123 0.000 1.197 502 L HN 0.551 nan 8.230 nan 0.000 0.427 503 L N 6.579 127.838 121.223 0.060 0.000 2.276 503 L HA 0.467 4.799 4.340 -0.013 0.000 0.286 503 L C -0.510 176.385 176.870 0.043 0.000 1.061 503 L CA -0.333 54.537 54.840 0.050 0.000 0.807 503 L CB 0.973 43.054 42.059 0.036 0.000 1.177 503 L HN 0.557 nan 8.230 nan 0.000 0.429 504 L N 4.149 125.398 121.223 0.044 0.000 2.362 504 L HA 0.623 4.956 4.340 -0.013 0.000 0.271 504 L C -0.474 176.413 176.870 0.029 0.000 1.002 504 L CA -0.665 54.196 54.840 0.034 0.000 0.818 504 L CB 2.441 44.523 42.059 0.038 0.000 1.298 504 L HN 0.533 nan 8.230 nan 0.000 0.420 505 K N 1.818 122.231 120.400 0.021 0.000 2.501 505 K HA 0.343 4.655 4.320 -0.013 0.000 0.252 505 K C -1.381 175.228 176.600 0.014 0.000 0.934 505 K CA -0.744 55.553 56.287 0.018 0.000 0.797 505 K CB 1.996 34.505 32.500 0.015 0.000 1.270 505 K HN 0.483 nan 8.250 nan 0.000 0.431 506 N N 4.563 123.271 118.700 0.013 0.000 2.422 506 N HA 0.219 4.951 4.740 -0.013 0.000 0.266 506 N C -0.004 175.511 175.510 0.008 0.000 1.007 506 N CA -0.312 52.745 53.050 0.011 0.000 0.941 506 N CB 0.759 39.253 38.487 0.012 0.000 1.115 506 N HN 0.658 nan 8.380 nan 0.000 0.492 507 L N 1.317 122.544 121.223 0.006 0.000 2.607 507 L HA 0.178 4.510 4.340 -0.013 0.000 0.228 507 L C 1.008 177.880 176.870 0.003 0.000 1.123 507 L CA -0.159 54.684 54.840 0.004 0.000 0.890 507 L CB -0.335 41.726 42.059 0.002 0.000 1.103 507 L HN 0.496 nan 8.230 nan 0.000 0.468 508 S N -0.523 115.180 115.700 0.004 0.000 2.686 508 S HA 0.304 4.766 4.470 -0.013 0.000 0.270 508 S C 0.883 175.485 174.600 0.003 0.000 1.194 508 S CA -0.661 57.541 58.200 0.003 0.000 0.990 508 S CB 1.105 64.307 63.200 0.003 0.000 1.029 508 S HN 0.165 nan 8.310 nan 0.000 0.560 509 R N -0.105 120.396 120.500 0.003 0.000 2.334 509 R HA 0.296 4.628 4.340 -0.013 0.000 0.216 509 R C -0.727 175.575 176.300 0.003 0.000 0.905 509 R CA 0.022 56.123 56.100 0.003 0.000 1.064 509 R CB -0.005 30.296 30.300 0.002 0.000 1.046 509 R HN 0.578 nan 8.270 nan 0.000 0.508 510 D N 0.337 120.739 120.400 0.004 0.000 2.198 510 D HA 0.143 4.775 4.640 -0.013 0.000 0.247 510 D C -0.339 175.964 176.300 0.006 0.000 1.010 510 D CA -0.259 53.743 54.000 0.004 0.000 0.880 510 D CB 1.812 42.614 40.800 0.003 0.000 1.209 510 D HN -0.222 nan 8.370 nan 0.000 0.451 511 T N 2.633 117.191 114.554 0.006 0.000 2.834 511 T HA 0.159 4.501 4.350 -0.013 0.000 0.298 511 T C 0.295 175.000 174.700 0.008 0.000 0.966 511 T CA -0.219 61.886 62.100 0.008 0.000 1.141 511 T CB 0.428 69.301 68.868 0.008 0.000 0.905 511 T HN -0.039 nan 8.240 nan 0.000 0.535 512 K N 2.887 123.293 120.400 0.010 0.000 2.207 512 K HA 0.428 4.740 4.320 -0.013 0.000 0.255 512 K C -0.257 176.351 176.600 0.013 0.000 0.941 512 K CA -0.675 55.618 56.287 0.010 0.000 0.825 512 K CB 2.018 34.524 32.500 0.010 0.000 1.119 512 K HN 0.396 nan 8.250 nan 0.000 0.430 513 T N 1.841 116.403 114.554 0.012 0.000 2.743 513 T HA 0.298 4.640 4.350 -0.013 0.000 0.292 513 T C -0.108 174.600 174.700 0.015 0.000 0.972 513 T CA -0.534 61.575 62.100 0.014 0.000 0.967 513 T CB 0.749 69.624 68.868 0.013 0.000 0.926 513 T HN 0.132 nan 8.240 nan 0.000 0.459 514 V N 4.099 124.023 119.914 0.017 0.000 2.427 514 V HA 0.414 4.526 4.120 -0.013 0.000 0.286 514 V C 0.562 176.664 176.094 0.014 0.000 1.034 514 V CA -0.747 61.562 62.300 0.016 0.000 0.893 514 V CB 1.695 33.528 31.823 0.016 0.000 0.982 514 V HN 0.851 nan 8.190 nan 0.000 0.452 515 T N 4.584 119.146 114.554 0.012 0.000 2.767 515 T HA 0.548 4.890 4.350 -0.013 0.000 0.284 515 T C -0.317 174.384 174.700 0.001 0.000 0.973 515 T CA -0.264 61.842 62.100 0.009 0.000 0.996 515 T CB 1.222 70.099 68.868 0.014 0.000 0.927 515 T HN 0.402 nan 8.240 nan 0.000 0.456 516 V N 5.123 125.027 119.914 -0.016 0.000 2.444 516 V HA 0.458 4.570 4.120 -0.013 0.000 0.294 516 V C -0.329 175.738 176.094 -0.046 0.000 1.022 516 V CA -1.064 61.215 62.300 -0.036 0.000 0.850 516 V CB 1.564 33.341 31.823 -0.076 0.000 0.992 516 V HN 0.763 nan 8.190 nan 0.000 0.426 517 N N 5.580 124.266 118.700 -0.022 0.000 2.407 517 N HA 0.700 5.432 4.740 -0.013 0.000 0.277 517 N C -0.883 174.629 175.510 0.002 0.000 0.995 517 N CA -0.319 52.719 53.050 -0.020 0.000 0.903 517 N CB 2.166 40.658 38.487 0.009 0.000 1.218 517 N HN 0.598 nan 8.380 nan 0.000 0.487 518 M N 0.568 120.157 119.600 -0.018 0.000 2.602 518 M HA 0.496 4.968 4.480 -0.013 0.000 0.312 518 M C 0.152 176.491 176.300 0.066 0.000 1.181 518 M CA -0.707 54.645 55.300 0.086 0.000 0.910 518 M CB 2.446 35.176 32.600 0.218 0.000 1.723 518 M HN 0.484 nan 8.290 nan 0.000 0.459 519 T N -0.928 113.800 114.554 0.290 0.000 2.843 519 T HA 0.920 5.262 4.350 -0.013 0.000 0.302 519 T C -1.569 173.478 174.700 0.579 0.000 1.232 519 T CA -0.920 61.393 62.100 0.355 0.000 1.009 519 T CB 2.016 71.122 68.868 0.396 0.000 1.254 519 T HN 0.897 nan 8.240 nan 0.000 0.504 520 A N 0.998 124.165 122.820 0.577 0.000 2.381 520 A HA 0.701 5.014 4.320 -0.013 0.000 0.299 520 A C -1.889 175.919 177.584 0.373 0.000 1.049 520 A CA -0.887 51.444 52.037 0.491 0.000 0.715 520 A CB 0.795 20.068 19.000 0.455 0.000 1.222 520 A HN 0.738 nan 8.150 nan 0.000 0.428 521 W N 1.409 122.820 121.300 0.185 0.000 2.739 521 W HA 0.552 5.204 4.660 -0.014 0.000 0.331 521 W C 0.556 177.160 176.519 0.142 0.000 1.049 521 W CA -0.087 57.346 57.345 0.146 0.000 1.234 521 W CB 2.120 31.640 29.460 0.099 0.000 1.404 521 W HN 0.792 nan 8.180 nan 0.000 0.477 522 T N 1.661 116.432 114.554 0.361 0.000 2.913 522 T HA 0.709 5.051 4.350 -0.013 0.000 0.297 522 T C -0.155 174.726 174.700 0.302 0.000 1.029 522 T CA -0.348 61.927 62.100 0.293 0.000 1.104 522 T CB 0.812 69.850 68.868 0.284 0.000 0.964 522 T HN 0.449 nan 8.240 nan 0.000 0.532 523 I N -1.277 119.432 120.570 0.232 0.000 3.279 523 I HA 0.657 4.819 4.170 -0.013 0.000 0.315 523 I C -1.247 174.970 176.117 0.167 0.000 1.187 523 I CA -1.859 59.550 61.300 0.181 0.000 0.953 523 I CB 1.800 39.881 38.000 0.134 0.000 1.279 523 I HN 0.373 nan 8.210 nan 0.000 0.465 524 I N 2.112 122.750 120.570 0.112 0.000 2.566 524 I HA 0.148 4.310 4.170 -0.013 0.000 0.303 524 I C 0.929 177.080 176.117 0.057 0.000 0.983 524 I CA -0.385 60.995 61.300 0.134 0.000 1.235 524 I CB 1.118 39.164 38.000 0.077 0.000 1.386 524 I HN 0.922 nan 8.210 nan 0.000 0.494 525 Y N 3.754 124.093 120.300 0.064 0.000 2.384 525 Y HA -0.234 4.307 4.550 -0.014 0.000 0.289 525 Y C 1.536 177.321 175.900 -0.191 0.000 1.152 525 Y CA 1.660 59.756 58.100 -0.006 0.000 1.258 525 Y CB -0.920 37.541 38.460 0.001 0.000 0.979 525 Y HN 0.729 nan 8.280 nan 0.000 0.549 526 N N -0.397 117.594 118.700 -1.182 0.000 2.467 526 N HA 0.176 4.908 4.740 -0.013 0.000 0.184 526 N C 1.488 176.548 175.510 -0.749 0.000 1.106 526 N CA 0.507 52.623 53.050 -1.557 0.000 0.892 526 N CB 0.137 37.145 38.487 -2.466 0.000 0.969 526 N HN 0.504 nan 8.380 nan 0.000 0.454 527 G N -0.510 108.064 108.800 -0.376 0.000 2.184 527 G HA2 -0.246 3.706 3.960 -0.013 0.000 0.206 527 G HA3 -0.246 3.706 3.960 -0.013 0.000 0.206 527 G C 0.023 174.827 174.900 -0.161 0.000 0.995 527 G CA 0.043 45.035 45.100 -0.181 0.000 0.651 527 G HN 0.346 nan 8.290 nan 0.000 0.511 528 T N 2.517 116.955 114.554 -0.192 0.000 2.829 528 T HA 0.390 4.733 4.350 -0.013 0.000 0.293 528 T C 1.003 175.681 174.700 -0.037 0.000 0.970 528 T CA 0.190 62.220 62.100 -0.116 0.000 1.168 528 T CB 0.504 69.321 68.868 -0.086 0.000 0.911 528 T HN 0.340 nan 8.240 nan 0.000 0.535 529 L N 4.556 125.744 121.223 -0.058 0.000 2.410 529 L HA 0.148 4.480 4.340 -0.013 0.000 0.273 529 L C 1.315 178.285 176.870 0.167 0.000 1.144 529 L CA -0.400 54.445 54.840 0.008 0.000 0.863 529 L CB 0.609 42.511 42.059 -0.262 0.000 1.140 529 L HN 0.521 nan 8.230 nan 0.000 0.463 530 V N 1.919 122.020 119.914 0.313 0.000 2.602 530 V HA 0.158 4.270 4.120 -0.013 0.000 0.235 530 V C 0.211 176.511 176.094 0.343 0.000 1.087 530 V CA 0.498 62.973 62.300 0.292 0.000 1.117 530 V CB 0.070 32.050 31.823 0.262 0.000 0.820 530 V HN 0.736 nan 8.190 nan 0.000 0.490 531 H N -0.130 119.048 119.070 0.180 0.000 3.112 531 H HA 0.265 4.813 4.556 -0.014 0.000 0.347 531 H C -1.183 173.697 175.328 -0.747 0.000 1.188 531 H CA -0.557 55.279 56.048 -0.353 0.000 1.240 531 H CB 2.042 31.388 29.762 -0.694 0.000 1.920 531 H HN 0.383 nan 8.280 nan 0.000 0.535 532 E N 2.607 121.909 120.200 -1.497 0.000 2.344 532 E HA 0.200 4.542 4.350 -0.013 0.000 0.270 532 E C 0.304 176.678 176.600 -0.376 0.000 1.021 532 E CA -0.023 55.556 56.400 -1.368 0.000 0.887 532 E CB 0.758 29.680 29.700 -1.297 0.000 0.997 532 E HN 0.428 nan 8.360 nan 0.000 0.429 533 V N 1.948 121.786 119.914 -0.126 0.000 3.502 533 V HA 0.419 4.532 4.120 -0.013 0.000 0.288 533 V C -0.242 176.003 176.094 0.250 0.000 1.461 533 V CA -0.479 61.893 62.300 0.119 0.000 1.029 533 V CB -0.475 31.493 31.823 0.242 0.000 0.843 533 V HN 0.681 nan 8.190 nan 0.000 0.438 534 W N 1.741 123.023 121.300 -0.029 0.000 3.464 534 W HA 0.616 5.268 4.660 -0.013 0.000 0.292 534 W C -1.878 174.652 176.519 0.019 0.000 1.262 534 W CA -0.546 56.813 57.345 0.023 0.000 1.202 534 W CB 1.279 30.786 29.460 0.078 0.000 1.334 534 W HN 0.219 nan 8.180 nan 0.000 0.561 535 K N 3.504 123.331 120.400 -0.955 0.000 2.597 535 K HA 0.750 5.062 4.320 -0.013 0.000 0.282 535 K C -2.135 173.711 176.600 -1.257 0.000 0.975 535 K CA -0.828 54.893 56.287 -0.943 0.000 0.867 535 K CB 2.541 34.816 32.500 -0.374 0.000 1.465 535 K HN 0.360 nan 8.250 nan 0.000 0.417 536 D N -0.109 119.765 120.400 -0.876 0.000 2.742 536 D HA 0.382 5.014 4.640 -0.013 0.000 0.262 536 D C -1.916 174.233 176.300 -0.253 0.000 1.240 536 D CA -0.036 53.658 54.000 -0.509 0.000 0.752 536 D CB 2.129 42.658 40.800 -0.453 0.000 1.290 536 D HN 0.793 nan 8.370 nan 0.000 0.420 537 S N 0.199 115.825 115.700 -0.124 0.000 2.588 537 S HA 1.024 5.487 4.470 -0.013 0.000 0.275 537 S C -1.223 173.356 174.600 -0.035 0.000 1.130 537 S CA -0.385 57.766 58.200 -0.082 0.000 0.855 537 S CB 1.859 65.026 63.200 -0.055 0.000 1.116 537 S HN 1.080 nan 8.310 nan 0.000 0.472 538 A N 0.739 123.533 122.820 -0.044 0.000 2.604 538 A HA 0.823 5.135 4.320 -0.013 0.000 0.295 538 A C -0.880 176.710 177.584 0.010 0.000 1.067 538 A CA -0.775 51.269 52.037 0.011 0.000 0.683 538 A CB 1.487 20.502 19.000 0.024 0.000 1.281 538 A HN 0.889 nan 8.150 nan 0.000 0.407 539 T N 2.482 117.058 114.554 0.037 0.000 2.879 539 T HA 0.687 5.029 4.350 -0.013 0.000 0.290 539 T C -0.412 174.314 174.700 0.043 0.000 0.993 539 T CA -0.258 61.861 62.100 0.030 0.000 0.975 539 T CB 0.918 69.801 68.868 0.024 0.000 0.981 539 T HN 0.973 nan 8.240 nan 0.000 0.439 540 M N 0.572 120.196 119.600 0.040 0.000 2.484 540 M HA 0.749 5.222 4.480 -0.013 0.000 0.289 540 M C -0.817 175.503 176.300 0.033 0.000 1.206 540 M CA -0.933 54.393 55.300 0.044 0.000 0.892 540 M CB 2.344 34.980 32.600 0.061 0.000 1.712 540 M HN 0.410 nan 8.290 nan 0.000 0.462 541 S N 2.543 118.261 115.700 0.030 0.000 2.480 541 S HA 0.763 5.225 4.470 -0.013 0.000 0.286 541 S C -0.980 173.634 174.600 0.024 0.000 1.180 541 S CA -0.708 57.506 58.200 0.023 0.000 1.075 541 S CB 0.446 63.657 63.200 0.020 0.000 0.996 541 S HN 0.684 nan 8.310 nan 0.000 0.487 542 L N 4.133 125.369 121.223 0.021 0.000 2.356 542 L HA 0.535 4.867 4.340 -0.013 0.000 0.277 542 L C -0.341 176.538 176.870 0.016 0.000 0.996 542 L CA -1.066 53.786 54.840 0.020 0.000 0.822 542 L CB 1.803 43.874 42.059 0.021 0.000 1.256 542 L HN 0.527 nan 8.230 nan 0.000 0.413 543 D N 3.104 123.512 120.400 0.015 0.000 2.383 543 D HA 0.263 4.895 4.640 -0.013 0.000 0.248 543 D C -2.327 173.980 176.300 0.011 0.000 1.170 543 D CA -1.417 52.590 54.000 0.012 0.000 0.977 543 D CB 0.848 41.655 40.800 0.011 0.000 1.120 543 D HN 0.183 nan 8.370 nan 0.000 0.481 544 P HA 0.005 nan 4.420 nan 0.000 0.262 544 P C 0.012 177.317 177.300 0.008 0.000 1.182 544 P CA 0.761 63.865 63.100 0.007 0.000 0.761 544 P CB 0.419 32.123 31.700 0.006 0.000 0.795 545 E N -0.278 119.927 120.200 0.008 0.000 3.799 545 E HA -0.261 4.081 4.350 -0.013 0.000 0.320 545 E C 0.123 176.729 176.600 0.010 0.000 0.760 545 E CA 1.176 57.581 56.400 0.008 0.000 1.153 545 E CB -1.685 28.018 29.700 0.006 0.000 1.589 545 E HN 0.662 nan 8.360 nan 0.000 0.448 546 E N 0.670 120.877 120.200 0.012 0.000 2.354 546 E HA 0.180 4.522 4.350 -0.013 0.000 0.269 546 E C -0.521 176.089 176.600 0.017 0.000 1.036 546 E CA 0.001 56.410 56.400 0.015 0.000 0.876 546 E CB 0.543 30.253 29.700 0.016 0.000 1.009 546 E HN 0.140 nan 8.360 nan 0.000 0.416 547 E N 1.691 121.902 120.200 0.019 0.000 2.199 547 E HA 0.553 4.895 4.350 -0.013 0.000 0.265 547 E C -1.309 175.308 176.600 0.029 0.000 0.882 547 E CA -0.893 55.520 56.400 0.023 0.000 0.759 547 E CB 1.974 31.686 29.700 0.020 0.000 1.148 547 E HN 0.504 nan 8.360 nan 0.000 0.412 548 A N 3.261 126.104 122.820 0.037 0.000 2.380 548 A HA 0.565 4.877 4.320 -0.013 0.000 0.315 548 A C -0.758 176.863 177.584 0.062 0.000 1.101 548 A CA -0.740 51.326 52.037 0.048 0.000 0.771 548 A CB 1.231 20.265 19.000 0.056 0.000 1.287 548 A HN 0.607 nan 8.150 nan 0.000 0.436 549 E N 1.210 121.449 120.200 0.066 0.000 2.222 549 E HA 0.347 4.690 4.350 -0.013 0.000 0.267 549 E C -1.492 175.175 176.600 0.113 0.000 0.884 549 E CA -0.639 55.808 56.400 0.078 0.000 0.764 549 E CB 2.159 31.886 29.700 0.045 0.000 1.169 549 E HN 0.651 nan 8.360 nan 0.000 0.413 550 H N 3.448 122.548 119.070 0.049 0.000 2.708 550 H HA 0.320 4.869 4.556 -0.013 0.000 0.320 550 H C -2.726 172.643 175.328 0.068 0.000 0.991 550 H CA -2.150 53.939 56.048 0.068 0.000 1.243 550 H CB 1.537 31.352 29.762 0.089 0.000 1.446 550 H HN 0.200 nan 8.280 nan 0.000 0.502 551 P HA 0.161 nan 4.420 nan 0.000 0.271 551 P C -0.308 177.001 177.300 0.016 0.000 1.216 551 P CA 0.108 63.164 63.100 -0.074 0.000 0.771 551 P CB 0.924 32.560 31.700 -0.105 0.000 0.864 552 I N 3.269 123.837 120.570 -0.003 0.000 2.411 552 I HA 0.346 4.508 4.170 -0.013 0.000 0.284 552 I C 0.219 176.187 176.117 -0.249 0.000 1.012 552 I CA -0.620 60.589 61.300 -0.152 0.000 1.119 552 I CB 1.488 39.315 38.000 -0.287 0.000 1.261 552 I HN 0.175 nan 8.210 nan 0.000 0.448 553 K N 8.078 128.332 120.400 -0.242 0.000 2.376 553 K HA 0.696 5.008 4.320 -0.013 0.000 0.257 553 K C -1.548 174.920 176.600 -0.219 0.000 0.939 553 K CA -0.508 55.686 56.287 -0.155 0.000 0.809 553 K CB 1.762 34.255 32.500 -0.012 0.000 1.121 553 K HN 0.576 nan 8.250 nan 0.000 0.425 554 I N 3.774 124.262 120.570 -0.136 0.000 2.468 554 I HA 0.128 4.290 4.170 -0.013 0.000 0.285 554 I C 0.049 176.273 176.117 0.179 0.000 1.039 554 I CA -0.845 60.455 61.300 0.001 0.000 1.074 554 I CB 1.995 39.990 38.000 -0.008 0.000 1.228 554 I HN 0.685 nan 8.210 nan 0.000 0.436 555 S N 4.785 120.574 115.700 0.149 0.000 2.603 555 S HA 0.095 4.557 4.470 -0.013 0.000 0.268 555 S C 1.020 175.602 174.600 -0.029 0.000 1.317 555 S CA -0.215 58.051 58.200 0.110 0.000 1.012 555 S CB 0.939 64.176 63.200 0.061 0.000 0.926 555 S HN 0.643 nan 8.310 nan 0.000 0.539 556 Y N 2.589 122.737 120.300 -0.253 0.000 2.165 556 Y HA -0.122 4.420 4.550 -0.014 0.000 0.286 556 Y C 2.428 177.936 175.900 -0.654 0.000 1.155 556 Y CA 1.894 59.538 58.100 -0.761 0.000 1.164 556 Y CB -1.156 37.114 38.460 -0.317 0.000 0.978 556 Y HN 0.848 nan 8.280 nan 0.000 0.513 557 A N 0.168 122.736 122.820 -0.421 0.000 1.978 557 A HA -0.254 4.058 4.320 -0.013 0.000 0.220 557 A C 2.137 179.514 177.584 -0.344 0.000 1.170 557 A CA 1.978 53.770 52.037 -0.408 0.000 0.636 557 A CB -0.677 18.222 19.000 -0.168 0.000 0.810 557 A HN 0.704 nan 8.150 nan 0.000 0.448 558 Q N -1.777 117.893 119.800 -0.216 0.000 2.083 558 Q HA -0.155 4.177 4.340 -0.013 0.000 0.198 558 Q C 1.988 177.991 176.000 0.004 0.000 0.969 558 Q CA 1.839 57.615 55.803 -0.045 0.000 0.838 558 Q CB -0.282 28.519 28.738 0.105 0.000 0.900 558 Q HN 1.039 nan 8.270 nan 0.000 0.436 559 Y N 0.171 120.470 120.300 -0.003 0.000 2.476 559 Y HA 0.127 4.670 4.550 -0.012 0.000 0.283 559 Y C 1.819 177.686 175.900 -0.055 0.000 1.109 559 Y CA 0.621 58.743 58.100 0.037 0.000 1.246 559 Y CB -0.553 37.959 38.460 0.087 0.000 1.068 559 Y HN 0.060 nan 8.280 nan 0.000 0.552 560 E N 1.603 121.515 120.200 -0.479 0.000 2.130 560 E HA -0.269 4.074 4.350 -0.013 0.000 0.196 560 E C 2.161 178.585 176.600 -0.293 0.000 0.998 560 E CA 1.824 57.991 56.400 -0.389 0.000 0.806 560 E CB -0.486 28.585 29.700 -1.048 0.000 0.738 560 E HN 0.491 nan 8.360 nan 0.000 0.459 561 R N -0.917 119.325 120.500 -0.431 0.000 2.152 561 R HA -0.109 4.223 4.340 -0.013 0.000 0.232 561 R C 0.819 176.666 176.300 -0.754 0.000 1.117 561 R CA 1.516 57.232 56.100 -0.639 0.000 0.981 561 R CB -0.075 29.694 30.300 -0.886 0.000 0.870 561 R HN 0.415 nan 8.270 nan 0.000 0.451 562 Y N -1.164 119.093 120.300 -0.072 0.000 2.500 562 Y HA 0.188 4.729 4.550 -0.014 0.000 0.246 562 Y C -0.172 175.776 175.900 0.080 0.000 1.146 562 Y CA -0.877 57.212 58.100 -0.019 0.000 1.230 562 Y CB 0.648 39.078 38.460 -0.051 0.000 1.214 562 Y HN -0.036 nan 8.280 nan 0.000 0.526 563 L N 2.097 123.438 121.223 0.197 0.000 2.367 563 L HA 0.270 4.602 4.340 -0.013 0.000 0.275 563 L C -0.186 176.790 176.870 0.176 0.000 1.129 563 L CA -0.081 54.894 54.840 0.225 0.000 0.839 563 L CB 0.305 42.541 42.059 0.294 0.000 1.133 563 L HN -0.102 nan 8.230 nan 0.000 0.453 564 K N 1.728 122.244 120.400 0.193 0.000 2.267 564 K HA 0.346 4.658 4.320 -0.013 0.000 0.236 564 K C 1.232 177.960 176.600 0.213 0.000 1.030 564 K CA 0.225 56.628 56.287 0.194 0.000 0.930 564 K CB 1.181 33.809 32.500 0.213 0.000 1.182 564 K HN 0.677 nan 8.250 nan 0.000 0.474 565 S N -0.658 115.184 115.700 0.237 0.000 2.469 565 S HA -0.145 4.317 4.470 -0.013 0.000 0.238 565 S C 0.757 175.488 174.600 0.218 0.000 0.998 565 S CA 1.582 59.914 58.200 0.220 0.000 0.957 565 S CB -0.343 62.986 63.200 0.215 0.000 0.764 565 S HN 0.502 nan 8.310 nan 0.000 0.514 566 D N 1.936 122.488 120.400 0.253 0.000 2.264 566 D HA 0.016 4.648 4.640 -0.013 0.000 0.208 566 D C 0.432 176.855 176.300 0.206 0.000 0.966 566 D CA 0.689 54.843 54.000 0.257 0.000 0.864 566 D CB -0.631 40.361 40.800 0.320 0.000 0.933 566 D HN 0.603 nan 8.370 nan 0.000 0.499 567 N N -0.780 118.035 118.700 0.192 0.000 2.725 567 N HA -0.181 4.551 4.740 -0.013 0.000 0.249 567 N C -0.830 174.755 175.510 0.126 0.000 1.103 567 N CA 0.019 53.163 53.050 0.157 0.000 0.707 567 N CB -0.732 37.843 38.487 0.148 0.000 1.043 567 N HN 0.269 nan 8.380 nan 0.000 0.553 568 M N 0.848 120.540 119.600 0.153 0.000 2.528 568 M HA 0.569 5.042 4.480 -0.013 0.000 0.321 568 M C -0.417 175.964 176.300 0.136 0.000 1.153 568 M CA -0.500 54.886 55.300 0.144 0.000 0.951 568 M CB 2.067 34.781 32.600 0.191 0.000 1.705 568 M HN -0.012 nan 8.290 nan 0.000 0.451 569 I N 1.423 122.062 120.570 0.114 0.000 2.569 569 I HA 0.435 4.597 4.170 -0.013 0.000 0.290 569 I C -0.594 175.618 176.117 0.158 0.000 1.088 569 I CA -0.800 60.581 61.300 0.136 0.000 1.047 569 I CB 2.438 40.479 38.000 0.069 0.000 1.237 569 I HN 0.621 nan 8.210 nan 0.000 0.421 570 R N 6.419 127.049 120.500 0.216 0.000 2.221 570 R HA 0.553 4.885 4.340 -0.013 0.000 0.327 570 R C -1.165 175.287 176.300 0.253 0.000 1.033 570 R CA -0.263 55.966 56.100 0.215 0.000 0.887 570 R CB 0.557 30.982 30.300 0.208 0.000 1.057 570 R HN 0.442 nan 8.270 nan 0.000 0.455 571 I N 4.190 124.881 120.570 0.202 0.000 2.404 571 I HA 0.372 4.534 4.170 -0.013 0.000 0.293 571 I C -0.321 175.914 176.117 0.197 0.000 0.992 571 I CA -0.457 60.968 61.300 0.208 0.000 1.149 571 I CB 1.638 39.712 38.000 0.122 0.000 1.315 571 I HN 0.660 nan 8.210 nan 0.000 0.446 572 T N 4.636 119.329 114.554 0.233 0.000 2.912 572 T HA 0.773 5.115 4.350 -0.013 0.000 0.299 572 T C -0.543 174.229 174.700 0.119 0.000 1.052 572 T CA -0.668 61.516 62.100 0.140 0.000 0.996 572 T CB 2.368 71.342 68.868 0.177 0.000 1.070 572 T HN 0.704 nan 8.240 nan 0.000 0.465 573 A N 2.204 125.036 122.820 0.021 0.000 2.385 573 A HA 0.705 5.017 4.320 -0.013 0.000 0.290 573 A C -0.819 176.739 177.584 -0.044 0.000 1.094 573 A CA -0.606 51.443 52.037 0.020 0.000 0.729 573 A CB 1.001 20.021 19.000 0.033 0.000 1.194 573 A HN 0.667 nan 8.150 nan 0.000 0.442 574 V N 2.388 122.285 119.914 -0.029 0.000 2.350 574 V HA 0.338 4.450 4.120 -0.013 0.000 0.276 574 V C -0.146 175.945 176.094 -0.006 0.000 1.028 574 V CA -0.386 61.892 62.300 -0.036 0.000 0.860 574 V CB 0.518 32.336 31.823 -0.009 0.000 0.990 574 V HN 0.984 nan 8.190 nan 0.000 0.453 575 C N 4.773 124.069 119.300 -0.006 0.000 2.435 575 C HA 0.865 5.317 4.460 -0.013 0.000 0.333 575 C C -0.027 174.976 174.990 0.021 0.000 1.202 575 C CA -1.141 57.880 59.018 0.005 0.000 1.830 575 C CB 1.181 28.921 27.740 -0.000 0.000 2.326 575 C HN 0.950 nan 8.230 nan 0.000 0.507 576 K N 1.060 121.475 120.400 0.025 0.000 2.557 576 K HA 0.681 4.994 4.320 -0.013 0.000 0.257 576 K C -1.280 175.333 176.600 0.023 0.000 0.933 576 K CA -0.398 55.909 56.287 0.032 0.000 0.820 576 K CB 1.824 34.355 32.500 0.052 0.000 1.330 576 K HN 0.746 nan 8.250 nan 0.000 0.432 577 V N 0.296 120.221 119.914 0.019 0.000 2.815 577 V HA 0.687 4.799 4.120 -0.013 0.000 0.314 577 V C -2.675 173.424 176.094 0.009 0.000 1.064 577 V CA -2.668 59.640 62.300 0.013 0.000 0.952 577 V CB 1.166 32.996 31.823 0.011 0.000 1.020 577 V HN 0.661 nan 8.190 nan 0.000 0.439 578 P HA 0.121 nan 4.420 nan 0.000 0.265 578 P C 0.158 177.455 177.300 -0.005 0.000 1.187 578 P CA 1.066 64.165 63.100 -0.002 0.000 0.766 578 P CB 0.115 31.814 31.700 -0.002 0.000 0.820 579 D N 0.081 120.474 120.400 -0.012 0.000 3.012 579 D HA -0.202 4.430 4.640 -0.013 0.000 0.222 579 D C -0.647 175.647 176.300 -0.010 0.000 1.167 579 D CA 1.423 55.413 54.000 -0.015 0.000 0.854 579 D CB -1.009 39.784 40.800 -0.012 0.000 1.107 579 D HN 0.520 nan 8.370 nan 0.000 0.421 580 E N -0.673 119.525 120.200 -0.003 0.000 2.340 580 E HA 0.479 4.821 4.350 -0.013 0.000 0.273 580 E C -0.564 176.047 176.600 0.019 0.000 0.891 580 E CA -0.907 55.497 56.400 0.006 0.000 0.757 580 E CB 1.678 31.383 29.700 0.009 0.000 1.231 580 E HN 0.003 nan 8.360 nan 0.000 0.439 581 S N 1.600 117.318 115.700 0.031 0.000 2.576 581 S HA 0.020 4.482 4.470 -0.013 0.000 0.272 581 S C -0.068 174.580 174.600 0.079 0.000 1.352 581 S CA -0.229 58.013 58.200 0.070 0.000 1.021 581 S CB 0.345 63.589 63.200 0.074 0.000 0.887 581 S HN 0.334 nan 8.310 nan 0.000 0.542 582 E N 0.599 120.879 120.200 0.134 0.000 2.418 582 E HA 0.211 4.553 4.350 -0.013 0.000 0.261 582 E C -0.781 175.845 176.600 0.044 0.000 1.070 582 E CA 0.100 56.561 56.400 0.101 0.000 0.931 582 E CB 0.380 30.168 29.700 0.146 0.000 0.954 582 E HN 0.228 nan 8.360 nan 0.000 0.439 583 V N 2.945 122.867 119.914 0.014 0.000 2.378 583 V HA 0.219 4.331 4.120 -0.013 0.000 0.288 583 V C -0.677 175.387 176.094 -0.049 0.000 1.016 583 V CA -0.817 61.474 62.300 -0.014 0.000 0.840 583 V CB 1.602 33.421 31.823 -0.007 0.000 0.994 583 V HN 0.378 nan 8.190 nan 0.000 0.431 584 V N 6.257 126.117 119.914 -0.091 0.000 2.364 584 V HA 0.381 4.493 4.120 -0.013 0.000 0.272 584 V C 0.021 176.026 176.094 -0.147 0.000 1.036 584 V CA -0.476 61.717 62.300 -0.179 0.000 0.880 584 V CB 1.583 33.225 31.823 -0.302 0.000 0.991 584 V HN 0.592 nan 8.190 nan 0.000 0.460 585 V N 5.510 125.350 119.914 -0.123 0.000 2.370 585 V HA 0.489 4.601 4.120 -0.013 0.000 0.283 585 V C -0.034 176.019 176.094 -0.068 0.000 1.023 585 V CA -0.534 61.727 62.300 -0.064 0.000 0.857 585 V CB 1.389 33.200 31.823 -0.020 0.000 0.985 585 V HN 0.964 nan 8.190 nan 0.000 0.443 586 E N 4.008 124.189 120.200 -0.033 0.000 2.312 586 E HA 0.848 5.190 4.350 -0.013 0.000 0.267 586 E C -0.699 175.934 176.600 0.056 0.000 0.894 586 E CA -1.074 55.335 56.400 0.015 0.000 0.773 586 E CB 2.997 32.718 29.700 0.035 0.000 1.241 586 E HN 0.564 nan 8.360 nan 0.000 0.432 587 R N 1.623 122.175 120.500 0.087 0.000 2.868 587 R HA 0.158 4.491 4.340 -0.013 0.000 0.262 587 R C -1.990 174.375 176.300 0.108 0.000 1.163 587 R CA -0.511 55.642 56.100 0.088 0.000 1.105 587 R CB 0.996 31.335 30.300 0.066 0.000 1.270 587 R HN 0.442 nan 8.270 nan 0.000 0.437 588 D N 5.269 125.739 120.400 0.117 0.000 2.232 588 D HA 0.355 4.987 4.640 -0.013 0.000 0.242 588 D C 0.067 176.434 176.300 0.112 0.000 1.093 588 D CA -0.114 53.964 54.000 0.130 0.000 0.845 588 D CB 1.282 42.176 40.800 0.156 0.000 1.124 588 D HN 0.473 nan 8.370 nan 0.000 0.467 589 I N -1.129 119.497 120.570 0.094 0.000 2.603 589 I HA 0.601 4.763 4.170 -0.013 0.000 0.300 589 I C -0.620 175.540 176.117 0.072 0.000 1.017 589 I CA -1.012 60.328 61.300 0.067 0.000 1.098 589 I CB 1.832 39.849 38.000 0.028 0.000 1.279 589 I HN 0.081 nan 8.210 nan 0.000 0.437 590 I N 5.003 125.613 120.570 0.066 0.000 2.433 590 I HA 0.367 4.529 4.170 -0.013 0.000 0.292 590 I C -0.910 175.231 176.117 0.040 0.000 1.001 590 I CA -0.763 60.581 61.300 0.074 0.000 1.119 590 I CB 1.880 39.938 38.000 0.097 0.000 1.289 590 I HN 0.390 nan 8.210 nan 0.000 0.438 591 L N 5.623 126.866 121.223 0.033 0.000 2.289 591 L HA 0.338 4.670 4.340 -0.013 0.000 0.285 591 L C -0.024 176.885 176.870 0.064 0.000 1.049 591 L CA -0.185 54.671 54.840 0.026 0.000 0.804 591 L CB 0.490 42.542 42.059 -0.011 0.000 1.195 591 L HN 0.431 nan 8.230 nan 0.000 0.428 592 D N 2.051 122.485 120.400 0.055 0.000 2.372 592 D HA 0.109 4.741 4.640 -0.013 0.000 0.243 592 D C 0.086 176.436 176.300 0.084 0.000 1.121 592 D CA -0.055 53.977 54.000 0.054 0.000 0.898 592 D CB 0.658 41.474 40.800 0.027 0.000 1.202 592 D HN 0.361 nan 8.370 nan 0.000 0.428 593 N N 1.647 120.394 118.700 0.077 0.000 2.483 593 N HA 0.237 4.969 4.740 -0.013 0.000 0.269 593 N C -2.204 173.307 175.510 0.002 0.000 1.209 593 N CA -0.934 52.166 53.050 0.084 0.000 0.969 593 N CB 0.488 39.022 38.487 0.080 0.000 1.173 593 N HN 0.195 nan 8.380 nan 0.000 0.475 594 P HA 0.035 nan 4.420 nan 0.000 0.269 594 P C -0.497 176.796 177.300 -0.011 0.000 1.215 594 P CA -0.005 63.024 63.100 -0.119 0.000 0.780 594 P CB 0.224 31.741 31.700 -0.305 0.000 0.898 595 T N 2.306 116.835 114.554 -0.042 0.000 2.888 595 T HA 0.190 4.532 4.350 -0.013 0.000 0.301 595 T C 0.206 174.948 174.700 0.071 0.000 1.001 595 T CA 0.216 62.312 62.100 -0.008 0.000 1.147 595 T CB -0.102 68.736 68.868 -0.050 0.000 0.931 595 T HN 0.258 nan 8.240 nan 0.000 0.541 596 L N 4.214 125.473 121.223 0.059 0.000 2.313 596 L HA 0.555 4.887 4.340 -0.013 0.000 0.283 596 L C -0.250 176.625 176.870 0.009 0.000 1.013 596 L CA 0.014 54.886 54.840 0.053 0.000 0.816 596 L CB 1.567 43.622 42.059 -0.006 0.000 1.236 596 L HN 0.622 nan 8.230 nan 0.000 0.419 597 T N 5.736 120.289 114.554 -0.001 0.000 2.856 597 T HA 0.647 4.989 4.350 -0.013 0.000 0.283 597 T C -0.561 174.141 174.700 0.003 0.000 1.008 597 T CA -0.474 61.620 62.100 -0.010 0.000 0.997 597 T CB 1.435 70.287 68.868 -0.027 0.000 0.992 597 T HN 0.446 nan 8.240 nan 0.000 0.454 598 L N 2.480 123.706 121.223 0.005 0.000 2.346 598 L HA 0.594 4.926 4.340 -0.013 0.000 0.276 598 L C -0.196 176.663 176.870 -0.019 0.000 1.006 598 L CA -0.733 54.117 54.840 0.016 0.000 0.817 598 L CB 1.819 43.906 42.059 0.046 0.000 1.272 598 L HN 0.639 nan 8.230 nan 0.000 0.421 599 E N 2.333 122.504 120.200 -0.050 0.000 2.263 599 E HA 0.327 4.670 4.350 -0.013 0.000 0.268 599 E C -1.310 175.230 176.600 -0.099 0.000 0.884 599 E CA -0.651 55.710 56.400 -0.065 0.000 0.766 599 E CB 3.477 33.139 29.700 -0.063 0.000 1.196 599 E HN 0.236 nan 8.360 nan 0.000 0.416 600 V N 5.093 124.960 119.914 -0.079 0.000 2.546 600 V HA 0.207 4.320 4.120 -0.013 0.000 0.284 600 V C 0.162 176.208 176.094 -0.080 0.000 1.050 600 V CA -0.063 62.183 62.300 -0.090 0.000 0.981 600 V CB 0.577 32.364 31.823 -0.059 0.000 0.990 600 V HN 0.728 nan 8.190 nan 0.000 0.474 601 L N 6.432 127.600 121.223 -0.090 0.000 2.741 601 L HA 0.440 4.772 4.340 -0.013 0.000 0.237 601 L C 0.251 177.089 176.870 -0.054 0.000 1.178 601 L CA -0.049 54.748 54.840 -0.072 0.000 0.973 601 L CB -0.719 41.291 42.059 -0.082 0.000 1.255 601 L HN 0.958 nan 8.230 nan 0.000 0.498 602 N N -2.670 116.001 118.700 -0.048 0.000 3.355 602 N HA 0.088 4.820 4.740 -0.013 0.000 0.238 602 N C -1.073 174.420 175.510 -0.029 0.000 1.466 602 N CA -0.946 52.083 53.050 -0.035 0.000 0.882 602 N CB 0.855 39.322 38.487 -0.033 0.000 1.406 602 N HN -0.005 nan 8.380 nan 0.000 0.500 603 E N -0.199 119.988 120.200 -0.021 0.000 2.414 603 E HA 0.359 4.702 4.350 -0.013 0.000 0.263 603 E C -0.749 175.843 176.600 -0.014 0.000 1.000 603 E CA -0.405 55.985 56.400 -0.016 0.000 0.914 603 E CB 0.516 30.208 29.700 -0.012 0.000 0.948 603 E HN 0.605 nan 8.360 nan 0.000 0.444 604 A N 5.706 128.519 122.820 -0.011 0.000 2.260 604 A HA 0.459 4.772 4.320 -0.013 0.000 0.308 604 A C -0.485 177.098 177.584 -0.002 0.000 1.254 604 A CA -0.468 51.565 52.037 -0.007 0.000 0.874 604 A CB 0.596 19.593 19.000 -0.006 0.000 1.153 604 A HN 0.672 nan 8.150 nan 0.000 0.527 605 R N 1.631 122.131 120.500 0.000 0.000 2.744 605 R HA 0.504 4.836 4.340 -0.013 0.000 0.279 605 R C -0.958 175.346 176.300 0.007 0.000 0.977 605 R CA -0.966 55.136 56.100 0.003 0.000 0.906 605 R CB 2.106 32.407 30.300 0.002 0.000 1.197 605 R HN 0.493 nan 8.270 nan 0.000 0.463 606 V N 3.190 123.108 119.914 0.008 0.000 2.720 606 V HA -0.108 4.005 4.120 -0.013 0.000 0.307 606 V C 1.224 177.324 176.094 0.011 0.000 1.071 606 V CA 0.729 63.035 62.300 0.010 0.000 1.199 606 V CB 0.181 32.010 31.823 0.010 0.000 0.900 606 V HN 0.830 nan 8.190 nan 0.000 0.494 607 R N 0.275 120.784 120.500 0.014 0.000 4.000 607 R HA -0.170 4.162 4.340 -0.013 0.000 0.348 607 R C -0.139 176.169 176.300 0.013 0.000 1.204 607 R CA 0.988 57.098 56.100 0.015 0.000 0.987 607 R CB -0.713 29.596 30.300 0.014 0.000 1.446 607 R HN 0.596 nan 8.270 nan 0.000 0.555 608 K N 0.401 120.808 120.400 0.011 0.000 2.270 608 K HA 0.394 4.706 4.320 -0.013 0.000 0.255 608 K C -2.518 174.087 176.600 0.008 0.000 0.936 608 K CA -2.504 53.788 56.287 0.008 0.000 0.809 608 K CB 1.558 34.061 32.500 0.005 0.000 1.131 608 K HN -0.235 nan 8.250 nan 0.000 0.427 609 P HA 0.026 nan 4.420 nan 0.000 0.265 609 P C -0.694 176.604 177.300 -0.004 0.000 1.193 609 P CA -0.140 62.964 63.100 0.007 0.000 0.765 609 P CB 0.497 32.201 31.700 0.006 0.000 0.823 610 V N 4.261 124.171 119.914 -0.008 0.000 2.443 610 V HA 0.241 4.353 4.120 -0.013 0.000 0.293 610 V C 0.013 176.069 176.094 -0.064 0.000 1.021 610 V CA -0.647 61.635 62.300 -0.029 0.000 0.848 610 V CB 1.464 33.274 31.823 -0.022 0.000 0.998 610 V HN 0.422 nan 8.190 nan 0.000 0.424 611 N N 3.073 121.722 118.700 -0.085 0.000 2.470 611 N HA 0.521 5.253 4.740 -0.013 0.000 0.268 611 N C -0.433 174.942 175.510 -0.226 0.000 1.136 611 N CA 0.046 53.014 53.050 -0.138 0.000 0.961 611 N CB 1.464 39.889 38.487 -0.103 0.000 1.067 611 N HN 0.477 nan 8.380 nan 0.000 0.468 612 V N 1.327 120.984 119.914 -0.428 0.000 3.113 612 V HA 0.577 4.689 4.120 -0.013 0.000 0.316 612 V C -0.364 175.332 176.094 -0.664 0.000 1.125 612 V CA -0.846 61.090 62.300 -0.607 0.000 1.026 612 V CB 2.036 33.289 31.823 -0.949 0.000 1.080 612 V HN 0.598 nan 8.190 nan 0.000 0.444 613 Q N 1.923 121.447 119.800 -0.461 0.000 2.268 613 Q HA 0.543 4.875 4.340 -0.013 0.000 0.266 613 Q C -1.605 174.352 176.000 -0.072 0.000 1.006 613 Q CA -0.503 55.158 55.803 -0.238 0.000 0.824 613 Q CB 2.177 30.828 28.738 -0.145 0.000 1.306 613 Q HN 0.831 nan 8.270 nan 0.000 0.424 614 M N 5.980 125.618 119.600 0.063 0.000 2.238 614 M HA 0.494 4.966 4.480 -0.013 0.000 0.350 614 M C -2.017 174.301 176.300 0.030 0.000 1.138 614 M CA -0.604 54.759 55.300 0.104 0.000 1.040 614 M CB 0.751 33.474 32.600 0.206 0.000 1.639 614 M HN 0.748 nan 8.290 nan 0.000 0.451 615 L N 5.767 126.987 121.223 -0.005 0.000 2.385 615 L HA 0.667 4.999 4.340 -0.013 0.000 0.273 615 L C -1.397 175.455 176.870 -0.029 0.000 0.990 615 L CA -0.694 54.127 54.840 -0.031 0.000 0.821 615 L CB 2.134 44.164 42.059 -0.048 0.000 1.279 615 L HN 0.713 nan 8.230 nan 0.000 0.412 616 F N 1.308 121.104 119.950 -0.256 0.000 2.604 616 F HA 0.532 5.052 4.527 -0.012 0.000 0.316 616 F C -0.874 174.779 175.800 -0.245 0.000 1.136 616 F CA -0.304 57.488 58.000 -0.347 0.000 0.989 616 F CB 2.139 40.722 39.000 -0.695 0.000 1.258 616 F HN 0.320 nan 8.300 nan 0.000 0.451 617 S N 4.161 119.165 115.700 -1.159 0.000 2.451 617 S HA 0.304 4.766 4.470 -0.013 0.000 0.301 617 S C -0.864 173.020 174.600 -1.193 0.000 1.116 617 S CA -0.677 57.013 58.200 -0.851 0.000 1.093 617 S CB 1.097 64.004 63.200 -0.487 0.000 1.017 617 S HN 0.614 nan 8.310 nan 0.000 0.482 618 N N 4.010 122.353 118.700 -0.596 0.000 2.406 618 N HA 0.246 4.978 4.740 -0.013 0.000 0.251 618 N C -1.494 173.927 175.510 -0.148 0.000 1.069 618 N CA -2.084 50.819 53.050 -0.245 0.000 0.947 618 N CB 1.005 39.537 38.487 0.075 0.000 1.111 618 N HN 0.245 nan 8.380 nan 0.000 0.497 619 P HA -0.007 nan 4.420 nan 0.000 0.236 619 P C 0.204 177.498 177.300 -0.010 0.000 1.177 619 P CA 0.445 63.501 63.100 -0.074 0.000 0.773 619 P CB 0.531 32.180 31.700 -0.085 0.000 0.878 620 L N 0.348 121.615 121.223 0.072 0.000 2.475 620 L HA 0.181 4.513 4.340 -0.013 0.000 0.253 620 L C 1.422 178.308 176.870 0.026 0.000 1.198 620 L CA -0.220 54.639 54.840 0.032 0.000 0.814 620 L CB 0.099 42.214 42.059 0.092 0.000 1.134 620 L HN -0.252 nan 8.230 nan 0.000 0.478 621 D N -0.294 120.119 120.400 0.022 0.000 2.339 621 D HA 0.016 4.648 4.640 -0.013 0.000 0.217 621 D C 0.283 176.607 176.300 0.040 0.000 1.050 621 D CA 0.381 54.397 54.000 0.026 0.000 0.856 621 D CB 0.376 41.192 40.800 0.026 0.000 0.922 621 D HN 0.607 nan 8.370 nan 0.000 0.518 622 E N 0.582 120.817 120.200 0.057 0.000 2.320 622 E HA 0.511 4.853 4.350 -0.013 0.000 0.264 622 E C -2.902 173.745 176.600 0.079 0.000 0.923 622 E CA -2.125 54.310 56.400 0.058 0.000 0.796 622 E CB 2.466 32.200 29.700 0.056 0.000 1.262 622 E HN -0.227 nan 8.360 nan 0.000 0.428 623 P HA 0.102 nan 4.420 nan 0.000 0.278 623 P C -0.334 177.038 177.300 0.120 0.000 1.258 623 P CA -0.539 62.620 63.100 0.098 0.000 0.811 623 P CB 1.195 32.939 31.700 0.073 0.000 1.063 624 V N -0.941 119.076 119.914 0.172 0.000 2.555 624 V HA 0.679 4.791 4.120 -0.013 0.000 0.302 624 V C 0.060 176.234 176.094 0.134 0.000 1.038 624 V CA -0.823 61.587 62.300 0.183 0.000 0.887 624 V CB 1.556 33.589 31.823 0.349 0.000 0.991 624 V HN 0.505 nan 8.190 nan 0.000 0.434 625 R N 1.308 121.850 120.500 0.070 0.000 3.029 625 R HA 0.594 4.927 4.340 -0.013 0.000 0.239 625 R C -0.644 175.649 176.300 -0.012 0.000 1.351 625 R CA -0.682 55.439 56.100 0.035 0.000 1.052 625 R CB 0.510 30.820 30.300 0.018 0.000 1.354 625 R HN 0.771 nan 8.270 nan 0.000 0.499 626 D N -0.152 120.230 120.400 -0.029 0.000 2.751 626 D HA -0.158 4.474 4.640 -0.013 0.000 0.233 626 D C -0.694 175.527 176.300 -0.131 0.000 1.149 626 D CA 0.614 54.574 54.000 -0.067 0.000 0.682 626 D CB -1.660 39.100 40.800 -0.067 0.000 1.068 626 D HN 0.386 nan 8.370 nan 0.000 0.429 627 C N 0.660 119.885 119.300 -0.126 0.000 2.629 627 C HA 0.413 4.865 4.460 -0.013 0.000 0.410 627 C C 1.020 175.840 174.990 -0.283 0.000 1.339 627 C CA -0.661 58.190 59.018 -0.277 0.000 1.810 627 C CB 0.399 28.102 27.740 -0.062 0.000 2.549 627 C HN 0.147 nan 8.230 nan 0.000 0.589 628 V N 5.575 125.210 119.914 -0.465 0.000 2.686 628 V HA 0.469 4.581 4.120 -0.013 0.000 0.306 628 V C -0.357 175.549 176.094 -0.313 0.000 1.065 628 V CA -0.480 61.642 62.300 -0.296 0.000 0.894 628 V CB 1.806 33.489 31.823 -0.234 0.000 1.004 628 V HN 0.781 nan 8.190 nan 0.000 0.424 629 L N 5.625 126.773 121.223 -0.125 0.000 2.322 629 L HA 0.695 5.027 4.340 -0.013 0.000 0.281 629 L C -0.928 175.876 176.870 -0.110 0.000 1.014 629 L CA -0.413 54.408 54.840 -0.032 0.000 0.815 629 L CB 1.576 43.679 42.059 0.073 0.000 1.247 629 L HN 0.675 nan 8.230 nan 0.000 0.421 630 M N 5.580 125.110 119.600 -0.116 0.000 2.259 630 M HA 0.498 4.970 4.480 -0.013 0.000 0.304 630 M C -1.226 174.984 176.300 -0.150 0.000 1.019 630 M CA -0.683 54.530 55.300 -0.146 0.000 0.922 630 M CB 2.243 34.756 32.600 -0.145 0.000 1.600 630 M HN 0.246 nan 8.290 nan 0.000 0.433 631 V N 2.567 122.362 119.914 -0.199 0.000 2.735 631 V HA 0.690 4.802 4.120 -0.013 0.000 0.310 631 V C -0.619 175.388 176.094 -0.144 0.000 1.061 631 V CA -0.553 61.631 62.300 -0.193 0.000 0.913 631 V CB 2.259 33.860 31.823 -0.370 0.000 1.005 631 V HN 0.970 nan 8.190 nan 0.000 0.428 632 E N 2.247 122.388 120.200 -0.099 0.000 2.429 632 E HA 0.792 5.134 4.350 -0.013 0.000 0.280 632 E C -0.681 175.884 176.600 -0.059 0.000 1.068 632 E CA -0.957 55.396 56.400 -0.078 0.000 0.837 632 E CB 2.376 32.017 29.700 -0.099 0.000 1.357 632 E HN 1.112 nan 8.360 nan 0.000 0.455 633 G N 0.843 109.618 108.800 -0.041 0.000 1.843 633 G HA2 0.271 4.223 3.960 -0.013 0.000 0.278 633 G HA3 0.271 4.223 3.960 -0.013 0.000 0.278 633 G C -0.890 174.012 174.900 0.004 0.000 1.708 633 G CA -0.650 44.435 45.100 -0.025 0.000 0.918 633 G HN 0.395 nan 8.290 nan 0.000 0.661 634 S N 0.241 115.949 115.700 0.013 0.000 2.563 634 S HA 0.412 4.874 4.470 -0.013 0.000 0.294 634 S C 1.699 176.337 174.600 0.062 0.000 1.279 634 S CA 1.744 59.976 58.200 0.054 0.000 1.069 634 S CB 1.024 64.280 63.200 0.092 0.000 0.828 634 S HN 2.361 nan 8.310 nan 0.000 0.497 635 G N 2.048 110.886 108.800 0.063 0.000 2.205 635 G HA2 -0.242 3.711 3.960 -0.013 0.000 0.261 635 G HA3 -0.242 3.711 3.960 -0.013 0.000 0.261 635 G C 0.535 175.460 174.900 0.041 0.000 0.980 635 G CA 0.493 45.624 45.100 0.052 0.000 0.632 635 G HN 0.596 nan 8.290 nan 0.000 0.533 636 L N -0.431 120.817 121.223 0.041 0.000 2.467 636 L HA 0.564 4.896 4.340 -0.013 0.000 0.213 636 L C 1.103 178.002 176.870 0.049 0.000 1.053 636 L CA 0.950 55.815 54.840 0.043 0.000 0.847 636 L CB 0.244 42.330 42.059 0.046 0.000 1.075 636 L HN 0.481 nan 8.230 nan 0.000 0.479 637 L N -2.891 118.358 121.223 0.042 0.000 2.582 637 L HA 0.478 4.810 4.340 -0.013 0.000 0.257 637 L C -1.330 175.557 176.870 0.028 0.000 0.974 637 L CA -0.898 53.966 54.840 0.039 0.000 0.851 637 L CB 1.906 43.991 42.059 0.043 0.000 1.424 637 L HN -0.205 nan 8.230 nan 0.000 0.412 638 L N 3.036 124.275 121.223 0.027 0.000 2.315 638 L HA 0.656 4.989 4.340 -0.013 0.000 0.283 638 L C 1.150 178.027 176.870 0.012 0.000 1.089 638 L CA 0.727 55.583 54.840 0.025 0.000 0.833 638 L CB 0.279 42.355 42.059 0.029 0.000 1.170 638 L HN 1.107 nan 8.230 nan 0.000 0.442 639 G N 3.944 112.750 108.800 0.010 0.000 2.562 639 G HA2 -0.306 3.646 3.960 -0.013 0.000 0.250 639 G HA3 -0.306 3.646 3.960 -0.013 0.000 0.250 639 G C -0.465 174.420 174.900 -0.025 0.000 1.269 639 G CA -0.214 44.885 45.100 -0.002 0.000 0.919 639 G HN 0.764 nan 8.290 nan 0.000 0.574 640 N N -0.194 118.487 118.700 -0.032 0.000 2.392 640 N HA 0.507 5.239 4.740 -0.013 0.000 0.283 640 N C -0.334 175.130 175.510 -0.078 0.000 1.003 640 N CA -0.707 52.307 53.050 -0.060 0.000 0.892 640 N CB 0.907 39.365 38.487 -0.048 0.000 1.193 640 N HN 0.582 nan 8.380 nan 0.000 0.487 641 L N 3.653 124.803 121.223 -0.122 0.000 2.265 641 L HA 0.320 4.652 4.340 -0.013 0.000 0.288 641 L C -0.341 176.427 176.870 -0.170 0.000 1.058 641 L CA -0.383 54.364 54.840 -0.155 0.000 0.809 641 L CB 0.594 42.504 42.059 -0.248 0.000 1.179 641 L HN 0.550 nan 8.230 nan 0.000 0.429 642 K N 6.501 126.824 120.400 -0.128 0.000 2.307 642 K HA 0.570 4.882 4.320 -0.013 0.000 0.263 642 K C -1.349 175.189 176.600 -0.104 0.000 0.973 642 K CA -0.541 55.674 56.287 -0.120 0.000 0.846 642 K CB 1.228 33.671 32.500 -0.096 0.000 1.100 642 K HN 0.585 nan 8.250 nan 0.000 0.438 643 I N 3.341 123.849 120.570 -0.103 0.000 2.466 643 I HA 0.194 4.357 4.170 -0.013 0.000 0.289 643 I C -0.682 175.411 176.117 -0.040 0.000 1.026 643 I CA -1.050 60.214 61.300 -0.061 0.000 1.078 643 I CB 1.951 39.921 38.000 -0.051 0.000 1.249 643 I HN 0.531 nan 8.210 nan 0.000 0.429 644 D N 5.883 126.268 120.400 -0.025 0.000 2.312 644 D HA 0.303 4.935 4.640 -0.013 0.000 0.252 644 D C -0.389 175.921 176.300 0.018 0.000 1.150 644 D CA 0.036 54.023 54.000 -0.022 0.000 0.870 644 D CB 2.248 43.035 40.800 -0.021 0.000 1.153 644 D HN 0.036 nan 8.370 nan 0.000 0.457 645 V N 4.487 124.421 119.914 0.034 0.000 2.513 645 V HA 0.309 4.422 4.120 -0.013 0.000 0.299 645 V C -1.998 174.147 176.094 0.084 0.000 1.035 645 V CA -1.707 60.652 62.300 0.098 0.000 0.889 645 V CB 1.810 33.766 31.823 0.221 0.000 0.988 645 V HN 0.395 nan 8.190 nan 0.000 0.440 646 P HA 0.123 nan 4.420 nan 0.000 0.270 646 P C 0.015 177.372 177.300 0.094 0.000 1.223 646 P CA -0.078 63.065 63.100 0.072 0.000 0.785 646 P CB 0.190 31.928 31.700 0.064 0.000 0.923 647 T N 2.199 116.797 114.554 0.074 0.000 2.905 647 T HA 0.045 4.387 4.350 -0.013 0.000 0.299 647 T C 0.088 174.854 174.700 0.110 0.000 1.024 647 T CA 0.499 62.651 62.100 0.087 0.000 1.151 647 T CB -0.218 68.686 68.868 0.060 0.000 0.987 647 T HN 0.167 nan 8.240 nan 0.000 0.535 648 L N 4.586 125.900 121.223 0.153 0.000 2.280 648 L HA 0.625 4.957 4.340 -0.013 0.000 0.287 648 L C 0.672 177.619 176.870 0.128 0.000 1.023 648 L CA -0.134 54.800 54.840 0.157 0.000 0.819 648 L CB 0.672 42.876 42.059 0.243 0.000 1.212 648 L HN 0.707 nan 8.230 nan 0.000 0.420 649 G N 4.875 113.725 108.800 0.083 0.000 2.699 649 G HA2 0.296 4.248 3.960 -0.013 0.000 0.246 649 G HA3 0.296 4.248 3.960 -0.013 0.000 0.246 649 G C -2.603 172.332 174.900 0.058 0.000 1.219 649 G CA -1.040 44.097 45.100 0.063 0.000 0.866 649 G HN 0.566 nan 8.290 nan 0.000 0.572 650 P HA 0.089 nan 4.420 nan 0.000 0.263 650 P C 0.030 177.332 177.300 0.004 0.000 1.195 650 P CA 0.193 63.314 63.100 0.034 0.000 0.762 650 P CB 0.597 32.314 31.700 0.028 0.000 0.799 651 K N -0.430 119.959 120.400 -0.018 0.000 3.426 651 K HA -0.221 4.092 4.320 -0.013 0.000 0.315 651 K C 0.060 176.622 176.600 -0.064 0.000 1.293 651 K CA 1.160 57.415 56.287 -0.053 0.000 0.955 651 K CB -1.845 30.632 32.500 -0.039 0.000 1.238 651 K HN 0.621 nan 8.250 nan 0.000 0.441 652 E N 0.477 120.650 120.200 -0.045 0.000 2.280 652 E HA 0.386 4.728 4.350 -0.013 0.000 0.264 652 E C 0.064 176.617 176.600 -0.078 0.000 1.064 652 E CA -0.744 55.631 56.400 -0.042 0.000 0.900 652 E CB 1.225 30.923 29.700 -0.002 0.000 1.123 652 E HN 0.100 nan 8.360 nan 0.000 0.418 653 R N 0.596 121.056 120.500 -0.066 0.000 2.562 653 R HA 0.297 4.630 4.340 -0.013 0.000 0.298 653 R C -1.119 175.164 176.300 -0.029 0.000 0.961 653 R CA -0.359 55.687 56.100 -0.090 0.000 0.881 653 R CB 1.775 32.015 30.300 -0.101 0.000 1.159 653 R HN 0.414 nan 8.270 nan 0.000 0.450 654 S N 2.922 118.616 115.700 -0.011 0.000 2.442 654 S HA 0.391 4.853 4.470 -0.013 0.000 0.297 654 S C -0.759 173.850 174.600 0.015 0.000 1.131 654 S CA -0.735 57.489 58.200 0.039 0.000 1.092 654 S CB 0.703 63.965 63.200 0.102 0.000 0.998 654 S HN 0.646 nan 8.310 nan 0.000 0.478 655 R N 4.373 124.888 120.500 0.025 0.000 2.435 655 R HA 0.584 4.916 4.340 -0.013 0.000 0.308 655 R C -1.928 174.400 176.300 0.047 0.000 0.975 655 R CA -0.465 55.646 56.100 0.019 0.000 0.867 655 R CB 1.125 31.424 30.300 -0.001 0.000 1.171 655 R HN 0.522 nan 8.270 nan 0.000 0.470 656 V N 5.121 125.081 119.914 0.077 0.000 2.384 656 V HA 0.477 4.589 4.120 -0.013 0.000 0.287 656 V C 0.122 176.302 176.094 0.143 0.000 1.020 656 V CA -0.738 61.638 62.300 0.127 0.000 0.850 656 V CB 1.545 33.476 31.823 0.180 0.000 0.987 656 V HN 0.665 nan 8.190 nan 0.000 0.436 657 R N 4.053 124.615 120.500 0.103 0.000 2.540 657 R HA 0.779 5.111 4.340 -0.013 0.000 0.287 657 R C -1.334 175.051 176.300 0.142 0.000 0.980 657 R CA -0.371 55.741 56.100 0.020 0.000 0.966 657 R CB 1.691 31.977 30.300 -0.023 0.000 1.106 657 R HN 0.708 nan 8.270 nan 0.000 0.480 658 F N -0.525 119.428 119.950 0.004 0.000 2.678 658 F HA 0.450 4.969 4.527 -0.013 0.000 0.308 658 F C -1.664 174.137 175.800 0.001 0.000 1.118 658 F CA -1.317 56.686 58.000 0.004 0.000 0.959 658 F CB 1.201 40.204 39.000 0.006 0.000 1.305 658 F HN 0.260 nan 8.300 nan 0.000 0.443 659 D N 2.518 123.026 120.400 0.180 0.000 2.228 659 D HA 0.701 5.333 4.640 -0.013 0.000 0.247 659 D C -0.250 176.165 176.300 0.191 0.000 0.995 659 D CA -0.123 53.925 54.000 0.081 0.000 0.903 659 D CB 2.409 43.237 40.800 0.047 0.000 1.205 659 D HN 0.831 nan 8.370 nan 0.000 0.459 660 I N -2.333 118.306 120.570 0.115 0.000 3.108 660 I HA 0.654 4.816 4.170 -0.013 0.000 0.312 660 I C -1.424 174.732 176.117 0.064 0.000 1.095 660 I CA -1.195 60.179 61.300 0.123 0.000 1.000 660 I CB 2.182 40.267 38.000 0.142 0.000 1.229 660 I HN 0.068 nan 8.210 nan 0.000 0.454 661 L N 4.044 125.301 121.223 0.056 0.000 2.454 661 L HA 0.635 4.967 4.340 -0.013 0.000 0.258 661 L C -2.636 174.254 176.870 0.035 0.000 1.025 661 L CA -1.704 53.159 54.840 0.038 0.000 0.901 661 L CB 0.955 43.035 42.059 0.036 0.000 1.210 661 L HN 0.401 nan 8.230 nan 0.000 0.457 662 P HA 0.144 nan 4.420 nan 0.000 0.264 662 P C 0.043 177.358 177.300 0.025 0.000 1.183 662 P CA 0.340 63.457 63.100 0.027 0.000 0.763 662 P CB 0.765 32.477 31.700 0.020 0.000 0.807 663 S N 2.229 117.945 115.700 0.026 0.000 2.549 663 S HA 0.192 4.654 4.470 -0.013 0.000 0.225 663 S C 0.568 175.178 174.600 0.017 0.000 1.039 663 S CA -0.248 57.966 58.200 0.024 0.000 0.942 663 S CB 0.407 63.625 63.200 0.030 0.000 0.881 663 S HN 0.367 nan 8.310 nan 0.000 0.503 664 R N 2.133 122.643 120.500 0.016 0.000 2.574 664 R HA 0.488 4.820 4.340 -0.013 0.000 0.288 664 R C -0.794 175.511 176.300 0.009 0.000 1.004 664 R CA -0.131 55.973 56.100 0.006 0.000 0.895 664 R CB 1.944 32.245 30.300 0.001 0.000 1.191 664 R HN 0.401 nan 8.270 nan 0.000 0.444 665 S N 1.764 117.467 115.700 0.005 0.000 2.614 665 S HA 0.811 5.274 4.470 -0.013 0.000 0.265 665 S C 0.531 175.137 174.600 0.009 0.000 1.303 665 S CA 0.280 58.484 58.200 0.008 0.000 1.000 665 S CB 1.574 64.778 63.200 0.006 0.000 0.935 665 S HN 1.060 nan 8.310 nan 0.000 0.551 666 G N 0.015 108.822 108.800 0.011 0.000 2.373 666 G HA2 0.082 4.034 3.960 -0.013 0.000 0.634 666 G HA3 0.082 4.034 3.960 -0.013 0.000 0.634 666 G C -0.641 174.269 174.900 0.016 0.000 1.267 666 G CA -0.575 44.533 45.100 0.014 0.000 1.008 666 G HN 0.979 nan 8.290 nan 0.000 0.497 667 T N 2.769 117.333 114.554 0.018 0.000 2.727 667 T HA 0.507 4.849 4.350 -0.013 0.000 0.295 667 T C 0.335 175.049 174.700 0.024 0.000 0.915 667 T CA -0.027 62.083 62.100 0.017 0.000 1.066 667 T CB 0.574 69.451 68.868 0.015 0.000 0.891 667 T HN 0.536 nan 8.240 nan 0.000 0.516 668 K N 2.680 123.092 120.400 0.021 0.000 2.258 668 K HA 0.460 4.772 4.320 -0.013 0.000 0.236 668 K C -0.225 176.385 176.600 0.017 0.000 1.008 668 K CA -0.883 55.419 56.287 0.026 0.000 0.869 668 K CB 1.564 34.080 32.500 0.027 0.000 1.171 668 K HN 0.535 nan 8.250 nan 0.000 0.447 669 Q N 1.540 121.348 119.800 0.013 0.000 2.309 669 Q HA 0.346 4.678 4.340 -0.013 0.000 0.270 669 Q C -1.552 174.443 176.000 -0.008 0.000 1.023 669 Q CA -0.820 54.982 55.803 -0.003 0.000 0.758 669 Q CB 1.324 30.053 28.738 -0.016 0.000 1.247 669 Q HN 0.409 nan 8.270 nan 0.000 0.455 670 L N 5.266 126.490 121.223 0.002 0.000 2.289 670 L HA 0.540 4.872 4.340 -0.013 0.000 0.285 670 L C -1.593 175.275 176.870 -0.004 0.000 1.049 670 L CA -0.146 54.703 54.840 0.014 0.000 0.804 670 L CB 1.098 43.189 42.059 0.053 0.000 1.195 670 L HN 0.680 nan 8.230 nan 0.000 0.428 671 L N 4.863 126.070 121.223 -0.026 0.000 2.354 671 L HA 0.944 5.276 4.340 -0.013 0.000 0.269 671 L C -0.507 176.340 176.870 -0.039 0.000 1.005 671 L CA -0.774 54.039 54.840 -0.046 0.000 0.819 671 L CB 1.868 43.867 42.059 -0.099 0.000 1.311 671 L HN 0.748 nan 8.230 nan 0.000 0.423 672 A N 1.161 123.964 122.820 -0.028 0.000 2.515 672 A HA 0.656 4.968 4.320 -0.013 0.000 0.298 672 A C -1.830 175.743 177.584 -0.018 0.000 1.059 672 A CA -0.460 51.564 52.037 -0.022 0.000 0.698 672 A CB 2.001 21.017 19.000 0.025 0.000 1.289 672 A HN 0.733 nan 8.150 nan 0.000 0.404 673 D N 0.173 120.557 120.400 -0.027 0.000 2.505 673 D HA 0.601 5.233 4.640 -0.013 0.000 0.249 673 D C -1.595 174.712 176.300 0.012 0.000 1.082 673 D CA -0.076 53.909 54.000 -0.024 0.000 0.839 673 D CB 1.023 41.776 40.800 -0.080 0.000 1.317 673 D HN 0.325 nan 8.370 nan 0.000 0.497 674 F N 3.076 122.941 119.950 -0.140 0.000 2.460 674 F HA 0.561 5.079 4.527 -0.015 0.000 0.341 674 F C -1.195 174.500 175.800 -0.174 0.000 1.130 674 F CA -0.426 57.462 58.000 -0.186 0.000 0.962 674 F CB 1.477 40.303 39.000 -0.290 0.000 1.171 674 F HN 0.217 nan 8.300 nan 0.000 0.436 675 S N 5.160 120.462 115.700 -0.664 0.000 2.500 675 S HA 0.765 5.228 4.470 -0.013 0.000 0.301 675 S C -0.945 173.308 174.600 -0.578 0.000 1.092 675 S CA -0.588 57.341 58.200 -0.451 0.000 1.030 675 S CB 1.062 64.103 63.200 -0.264 0.000 1.031 675 S HN 0.868 nan 8.310 nan 0.000 0.483 676 C N 2.022 121.135 119.300 -0.312 0.000 3.323 676 C HA 0.600 5.053 4.460 -0.013 0.000 0.324 676 C C 1.588 176.538 174.990 -0.067 0.000 1.428 676 C CA -0.942 57.959 59.018 -0.194 0.000 1.368 676 C CB 0.746 28.429 27.740 -0.095 0.000 1.731 676 C HN 0.868 nan 8.230 nan 0.000 0.455 677 N N 1.479 120.151 118.700 -0.047 0.000 2.094 677 N HA -0.211 4.521 4.740 -0.013 0.000 0.191 677 N C 0.962 176.427 175.510 -0.075 0.000 1.023 677 N CA 1.962 54.983 53.050 -0.049 0.000 0.857 677 N CB -0.417 38.047 38.487 -0.040 0.000 1.013 677 N HN 0.743 nan 8.380 nan 0.000 0.426 678 K N -0.639 119.695 120.400 -0.110 0.000 2.314 678 K HA 0.253 4.565 4.320 -0.013 0.000 0.198 678 K C -0.402 175.866 176.600 -0.553 0.000 1.045 678 K CA 0.274 56.357 56.287 -0.340 0.000 0.988 678 K CB 0.100 32.325 32.500 -0.459 0.000 0.783 678 K HN 0.233 nan 8.250 nan 0.000 0.484 679 F N 1.748 121.749 119.950 0.085 0.000 2.676 679 F HA 0.297 4.815 4.527 -0.015 0.000 0.371 679 F C -2.358 173.447 175.800 0.009 0.000 1.141 679 F CA -2.439 55.611 58.000 0.083 0.000 1.133 679 F CB 1.635 40.707 39.000 0.120 0.000 1.376 679 F HN -0.179 nan 8.300 nan 0.000 0.491 680 P HA 0.227 nan 4.420 nan 0.000 0.278 680 P C 0.039 177.388 177.300 0.081 0.000 1.238 680 P CA 0.058 63.199 63.100 0.068 0.000 0.794 680 P CB 1.740 33.485 31.700 0.074 0.000 0.955 681 A N 2.931 125.758 122.820 0.011 0.000 2.466 681 A HA -0.186 4.126 4.320 -0.013 0.000 0.295 681 A C 0.345 177.955 177.584 0.044 0.000 1.465 681 A CA 0.369 52.414 52.037 0.013 0.000 0.744 681 A CB -2.517 16.501 19.000 0.031 0.000 1.098 681 A HN 0.473 nan 8.150 nan 0.000 0.402 682 I N 1.141 121.743 120.570 0.052 0.000 2.474 682 I HA 0.232 4.394 4.170 -0.013 0.000 0.287 682 I C 0.593 176.728 176.117 0.029 0.000 1.048 682 I CA -0.177 61.152 61.300 0.048 0.000 1.383 682 I CB 0.859 38.870 38.000 0.018 0.000 1.412 682 I HN 0.278 nan 8.210 nan 0.000 0.531 683 K N 5.331 125.738 120.400 0.011 0.000 2.203 683 K HA 0.862 5.174 4.320 -0.013 0.000 0.251 683 K C -0.851 175.745 176.600 -0.008 0.000 0.944 683 K CA -0.723 55.562 56.287 -0.004 0.000 0.829 683 K CB 2.262 34.748 32.500 -0.023 0.000 1.125 683 K HN 0.666 nan 8.250 nan 0.000 0.430 684 A N 2.041 124.856 122.820 -0.009 0.000 2.539 684 A HA 0.816 5.128 4.320 -0.013 0.000 0.296 684 A C -1.255 176.320 177.584 -0.015 0.000 1.073 684 A CA -0.786 51.247 52.037 -0.007 0.000 0.700 684 A CB 1.882 20.887 19.000 0.009 0.000 1.296 684 A HN 0.755 nan 8.150 nan 0.000 0.405 685 M N 1.988 121.578 119.600 -0.018 0.000 2.433 685 M HA 0.746 5.218 4.480 -0.013 0.000 0.290 685 M C -2.578 173.713 176.300 -0.014 0.000 1.173 685 M CA -0.872 54.414 55.300 -0.024 0.000 0.905 685 M CB 1.938 34.513 32.600 -0.042 0.000 1.692 685 M HN 0.801 nan 8.290 nan 0.000 0.462 686 L N 3.178 124.396 121.223 -0.008 0.000 2.516 686 L HA 0.509 4.842 4.340 -0.013 0.000 0.267 686 L C -1.278 175.590 176.870 -0.004 0.000 0.957 686 L CA 0.149 54.986 54.840 -0.004 0.000 0.860 686 L CB 2.253 44.315 42.059 0.005 0.000 1.265 686 L HN 0.769 nan 8.230 nan 0.000 0.403 687 S N 5.482 121.178 115.700 -0.007 0.000 2.523 687 S HA 0.713 5.175 4.470 -0.013 0.000 0.275 687 S C -0.387 174.212 174.600 -0.002 0.000 1.281 687 S CA -0.338 57.860 58.200 -0.003 0.000 1.050 687 S CB 0.046 63.243 63.200 -0.004 0.000 0.937 687 S HN 0.498 nan 8.310 nan 0.000 0.492 688 I N 4.026 124.598 120.570 0.003 0.000 2.447 688 I HA 0.301 4.463 4.170 -0.013 0.000 0.287 688 I C -0.882 175.238 176.117 0.005 0.000 1.023 688 I CA -0.807 60.495 61.300 0.002 0.000 1.083 688 I CB 1.974 39.977 38.000 0.005 0.000 1.245 688 I HN 0.474 nan 8.210 nan 0.000 0.434 689 D N 6.684 127.085 120.400 0.002 0.000 2.365 689 D HA 0.213 4.845 4.640 -0.013 0.000 0.237 689 D C -0.254 176.049 176.300 0.004 0.000 1.190 689 D CA -0.036 53.967 54.000 0.004 0.000 0.867 689 D CB 1.990 42.791 40.800 0.002 0.000 1.050 689 D HN 0.048 nan 8.370 nan 0.000 0.491 690 V N 2.270 122.188 119.914 0.007 0.000 2.406 690 V HA 0.467 4.579 4.120 -0.013 0.000 0.272 690 V C 0.728 176.826 176.094 0.006 0.000 1.043 690 V CA -0.707 61.597 62.300 0.007 0.000 0.915 690 V CB 1.181 33.011 31.823 0.011 0.000 0.988 690 V HN 0.591 nan 8.190 nan 0.000 0.466 691 A N 3.992 126.814 122.820 0.004 0.000 2.271 691 A HA 0.670 4.982 4.320 -0.013 0.000 0.288 691 A C 0.108 177.695 177.584 0.005 0.000 1.094 691 A CA -0.388 51.651 52.037 0.004 0.000 0.828 691 A CB 0.738 19.739 19.000 0.003 0.000 1.091 691 A HN 0.814 nan 8.150 nan 0.000 0.493 692 E N 0.000 120.203 120.200 0.006 0.000 2.725 692 E HA 0.000 4.342 4.350 -0.013 0.000 0.291 692 E CA 0.000 56.404 56.400 0.006 0.000 0.976 692 E CB 0.000 29.704 29.700 0.007 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440