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 1l9n_1_B 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 TGGRDPRSWD 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 XXXXXXXXXX XXXXXXXXXP 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 0.000 177.576 177.584 -0.013 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 0.626 123.437 122.820 -0.016 0.000 2.386 2 A HA 0.564 4.873 4.320 -0.018 0.000 0.248 2 A C 0.248 177.819 177.584 -0.022 0.000 1.082 2 A CA -0.155 51.871 52.037 -0.019 0.000 0.789 2 A CB 0.053 19.037 19.000 -0.026 0.000 1.025 2 A HN 2.054 nan 8.150 nan 0.000 0.490 3 L N 1.694 122.905 121.223 -0.020 0.000 2.455 3 L HA 0.528 4.857 4.340 -0.018 0.000 0.272 3 L C 0.530 177.377 176.870 -0.039 0.000 1.174 3 L CA 1.429 56.254 54.840 -0.025 0.000 0.869 3 L CB 0.286 42.335 42.059 -0.017 0.000 1.130 3 L HN 0.885 nan 8.230 nan 0.000 0.474 4 G N 3.688 112.464 108.800 -0.041 0.000 2.698 4 G HA2 0.529 4.479 3.960 -0.018 0.000 0.293 4 G HA3 0.529 4.479 3.960 -0.018 0.000 0.293 4 G C -1.759 173.111 174.900 -0.050 0.000 1.437 4 G CA -0.688 44.382 45.100 -0.050 0.000 0.852 4 G HN 0.505 nan 8.290 nan 0.000 0.499 5 V N 1.067 120.947 119.914 -0.058 0.000 2.530 5 V HA 0.230 4.339 4.120 -0.018 0.000 0.282 5 V C 1.273 177.343 176.094 -0.040 0.000 1.048 5 V CA 0.024 62.291 62.300 -0.056 0.000 0.997 5 V CB 1.511 33.293 31.823 -0.068 0.000 0.987 5 V HN 0.931 nan 8.190 nan 0.000 0.477 6 Q N 2.543 122.321 119.800 -0.037 0.000 2.226 6 Q HA 0.117 4.446 4.340 -0.018 0.000 0.199 6 Q C 0.588 176.574 176.000 -0.023 0.000 0.945 6 Q CA 1.011 56.798 55.803 -0.026 0.000 0.861 6 Q CB 0.810 29.533 28.738 -0.025 0.000 0.953 6 Q HN 0.973 nan 8.270 nan 0.000 0.490 7 S N -1.319 114.359 115.700 -0.037 0.000 2.611 7 S HA 0.472 4.931 4.470 -0.018 0.000 0.270 7 S C -1.301 173.246 174.600 -0.088 0.000 1.131 7 S CA -1.017 57.159 58.200 -0.039 0.000 0.826 7 S CB 1.141 64.328 63.200 -0.022 0.000 1.095 7 S HN 0.261 nan 8.310 nan 0.000 0.461 8 I N 1.613 122.105 120.570 -0.129 0.000 2.533 8 I HA 0.530 4.689 4.170 -0.018 0.000 0.290 8 I C -1.504 174.428 176.117 -0.308 0.000 1.056 8 I CA -0.597 60.529 61.300 -0.291 0.000 1.057 8 I CB 1.882 39.574 38.000 -0.514 0.000 1.240 8 I HN 0.833 nan 8.210 nan 0.000 0.423 9 N N 6.510 125.049 118.700 -0.268 0.000 2.485 9 N HA 0.175 4.905 4.740 -0.018 0.000 0.243 9 N C -0.276 175.156 175.510 -0.129 0.000 0.987 9 N CA -0.322 52.656 53.050 -0.121 0.000 0.940 9 N CB 0.734 39.189 38.487 -0.053 0.000 1.122 9 N HN 0.682 nan 8.380 nan 0.000 0.509 10 W N 1.946 123.292 121.300 0.077 0.000 2.937 10 W HA 0.126 4.776 4.660 -0.018 0.000 0.245 10 W C 0.852 177.433 176.519 0.104 0.000 1.306 10 W CA -0.212 57.191 57.345 0.097 0.000 1.470 10 W CB -0.038 29.475 29.460 0.087 0.000 1.132 10 W HN 0.521 nan 8.180 nan 0.000 0.675 11 Q N -0.232 119.723 119.800 0.258 0.000 2.411 11 Q HA -0.278 4.051 4.340 -0.018 0.000 0.305 11 Q C 1.101 177.256 176.000 0.258 0.000 1.273 11 Q CA 0.806 56.742 55.803 0.220 0.000 0.895 11 Q CB -1.803 27.048 28.738 0.188 0.000 1.198 11 Q HN 0.280 nan 8.270 nan 0.000 0.470 12 T N -0.517 114.172 114.554 0.224 0.000 2.597 12 T HA -0.309 4.030 4.350 -0.018 0.000 0.267 12 T C 1.816 176.579 174.700 0.104 0.000 1.053 12 T CA 1.806 63.991 62.100 0.142 0.000 1.165 12 T CB -0.264 68.669 68.868 0.108 0.000 0.863 12 T HN 0.687 nan 8.240 nan 0.000 0.427 13 A N 1.010 123.901 122.820 0.118 0.000 1.892 13 A HA -0.111 4.199 4.320 -0.018 0.000 0.218 13 A C 2.084 179.730 177.584 0.104 0.000 1.188 13 A CA 1.977 54.070 52.037 0.094 0.000 0.631 13 A CB -1.129 17.931 19.000 0.100 0.000 0.822 13 A HN 0.529 nan 8.150 nan 0.000 0.447 14 F N 1.220 121.185 119.950 0.025 0.000 2.102 14 F HA -0.193 4.324 4.527 -0.018 0.000 0.298 14 F C 2.129 177.940 175.800 0.018 0.000 1.105 14 F CA 2.083 60.096 58.000 0.021 0.000 1.239 14 F CB -0.167 38.853 39.000 0.033 0.000 0.991 14 F HN 0.212 nan 8.300 nan 0.000 0.474 15 N N 0.579 119.287 118.700 0.013 0.000 2.216 15 N HA -0.107 4.623 4.740 -0.018 0.000 0.183 15 N C 1.910 177.298 175.510 -0.203 0.000 1.017 15 N CA 1.159 54.136 53.050 -0.122 0.000 0.861 15 N CB -0.391 38.089 38.487 -0.011 0.000 0.986 15 N HN 0.398 nan 8.380 nan 0.000 0.428 16 R N 0.711 121.128 120.500 -0.139 0.000 2.092 16 R HA -0.028 4.302 4.340 -0.018 0.000 0.231 16 R C 2.138 178.351 176.300 -0.146 0.000 1.119 16 R CA 0.680 56.714 56.100 -0.110 0.000 0.970 16 R CB -0.101 30.177 30.300 -0.037 0.000 0.864 16 R HN 0.216 nan 8.270 nan 0.000 0.440 17 Q N 0.900 120.590 119.800 -0.183 0.000 2.084 17 Q HA -0.092 4.237 4.340 -0.018 0.000 0.202 17 Q C 1.914 177.674 176.000 -0.400 0.000 0.978 17 Q CA 2.014 57.680 55.803 -0.228 0.000 0.844 17 Q CB -0.068 28.561 28.738 -0.182 0.000 0.898 17 Q HN 0.328 nan 8.270 nan 0.000 0.426 18 A N -0.158 122.397 122.820 -0.441 0.000 1.969 18 A HA -0.134 4.175 4.320 -0.018 0.000 0.218 18 A C 1.623 178.825 177.584 -0.637 0.000 1.169 18 A CA 1.081 52.818 52.037 -0.501 0.000 0.635 18 A CB -0.670 18.072 19.000 -0.430 0.000 0.810 18 A HN 0.505 nan 8.150 nan 0.000 0.445 19 H N -1.585 117.142 119.070 -0.572 0.000 2.539 19 H HA 0.042 4.587 4.556 -0.018 0.000 0.269 19 H C -0.392 174.609 175.328 -0.545 0.000 0.980 19 H CA 0.324 56.092 56.048 -0.466 0.000 1.152 19 H CB 0.061 29.691 29.762 -0.220 0.000 1.407 19 H HN 0.651 nan 8.280 nan 0.000 0.564 20 H N 0.235 119.098 119.070 -0.345 0.000 2.770 20 H HA -0.118 4.427 4.556 -0.018 0.000 0.309 20 H C 0.763 176.002 175.328 -0.149 0.000 1.206 20 H CA 1.184 56.967 56.048 -0.441 0.000 1.147 20 H CB -2.261 26.736 29.762 -1.275 0.000 1.422 20 H HN 0.530 nan 8.280 nan 0.000 0.420 21 T N -3.440 111.145 114.554 0.052 0.000 3.170 21 T HA 0.025 4.365 4.350 -0.018 0.000 0.288 21 T C 1.179 176.027 174.700 0.246 0.000 0.992 21 T CA 0.165 62.444 62.100 0.298 0.000 0.909 21 T CB 0.455 69.507 68.868 0.307 0.000 1.133 21 T HN 0.400 nan 8.240 nan 0.000 0.530 22 D N 1.742 122.165 120.400 0.040 0.000 2.348 22 D HA -0.086 4.544 4.640 -0.018 0.000 0.216 22 D C 1.512 177.766 176.300 -0.076 0.000 0.970 22 D CA 0.336 54.334 54.000 -0.003 0.000 0.889 22 D CB 0.051 40.821 40.800 -0.051 0.000 0.912 22 D HN 0.367 nan 8.370 nan 0.000 0.524 23 K N -0.075 120.158 120.400 -0.277 0.000 2.296 23 K HA 0.035 4.344 4.320 -0.018 0.000 0.200 23 K C 0.471 176.846 176.600 -0.375 0.000 1.048 23 K CA -0.023 55.903 56.287 -0.602 0.000 0.966 23 K CB -0.049 31.570 32.500 -1.469 0.000 0.754 23 K HN 0.146 nan 8.250 nan 0.000 0.466 24 F N 1.651 121.638 119.950 0.062 0.000 2.563 24 F HA -0.115 4.403 4.527 -0.016 0.000 0.363 24 F C 1.978 177.851 175.800 0.121 0.000 1.123 24 F CA 0.021 58.175 58.000 0.256 0.000 1.307 24 F CB 0.612 39.755 39.000 0.239 0.000 1.115 24 F HN 0.020 nan 8.300 nan 0.000 0.592 25 S N 0.333 116.223 115.700 0.318 0.000 2.453 25 S HA -0.096 4.364 4.470 -0.018 0.000 0.231 25 S C 1.129 175.819 174.600 0.149 0.000 1.005 25 S CA 0.276 58.585 58.200 0.182 0.000 0.949 25 S CB -0.382 62.911 63.200 0.154 0.000 0.774 25 S HN 0.602 nan 8.310 nan 0.000 0.510 26 S N 0.805 116.607 115.700 0.170 0.000 2.549 26 S HA 0.016 4.475 4.470 -0.018 0.000 0.278 26 S C 1.035 175.677 174.600 0.070 0.000 1.344 26 S CA -0.191 58.066 58.200 0.095 0.000 1.025 26 S CB 0.370 63.604 63.200 0.056 0.000 0.851 26 S HN 0.488 nan 8.310 nan 0.000 0.530 27 Q N 1.269 121.092 119.800 0.038 0.000 2.384 27 Q HA 0.198 4.528 4.340 -0.018 0.000 0.207 27 Q C 0.314 176.316 176.000 0.003 0.000 0.904 27 Q CA 0.387 56.207 55.803 0.028 0.000 0.933 27 Q CB -0.017 28.736 28.738 0.025 0.000 1.077 27 Q HN 0.742 nan 8.270 nan 0.000 0.522 28 E N 0.730 120.918 120.200 -0.020 0.000 2.410 28 E HA 0.060 4.400 4.350 -0.018 0.000 0.255 28 E C -0.391 176.162 176.600 -0.079 0.000 1.194 28 E CA -0.337 56.024 56.400 -0.065 0.000 0.955 28 E CB 0.610 30.261 29.700 -0.081 0.000 0.988 28 E HN -0.087 nan 8.360 nan 0.000 0.461 29 L N 2.645 123.786 121.223 -0.136 0.000 2.312 29 L HA 0.268 4.598 4.340 -0.018 0.000 0.287 29 L C -1.036 175.757 176.870 -0.128 0.000 1.091 29 L CA 0.452 55.199 54.840 -0.154 0.000 0.846 29 L CB -0.115 41.782 42.059 -0.269 0.000 1.219 29 L HN 0.325 nan 8.230 nan 0.000 0.439 30 I N 6.485 126.985 120.570 -0.117 0.000 2.330 30 I HA 0.373 4.532 4.170 -0.018 0.000 0.289 30 I C -0.371 175.670 176.117 -0.127 0.000 1.001 30 I CA -0.343 60.892 61.300 -0.108 0.000 1.193 30 I CB 0.984 38.911 38.000 -0.121 0.000 1.345 30 I HN 0.506 nan 8.210 nan 0.000 0.461 31 L N 6.079 127.230 121.223 -0.121 0.000 2.257 31 L HA 0.664 4.994 4.340 -0.018 0.000 0.257 31 L C -0.304 176.632 176.870 0.110 0.000 1.033 31 L CA -0.983 53.763 54.840 -0.157 0.000 0.835 31 L CB 1.958 43.705 42.059 -0.519 0.000 1.398 31 L HN 0.485 nan 8.230 nan 0.000 0.429 32 R N 0.391 121.100 120.500 0.349 0.000 2.599 32 R HA 0.455 4.784 4.340 -0.018 0.000 0.295 32 R C -0.886 175.504 176.300 0.149 0.000 0.963 32 R CA -0.972 55.264 56.100 0.227 0.000 0.883 32 R CB 2.179 32.618 30.300 0.233 0.000 1.171 32 R HN 0.583 nan 8.270 nan 0.000 0.450 33 R N 0.386 120.933 120.500 0.080 0.000 2.811 33 R HA 0.179 4.509 4.340 -0.018 0.000 0.265 33 R C 0.553 176.845 176.300 -0.014 0.000 1.026 33 R CA 0.584 56.678 56.100 -0.010 0.000 1.142 33 R CB 0.054 30.341 30.300 -0.022 0.000 1.027 33 R HN 0.803 nan 8.270 nan 0.000 0.465 34 G N -0.149 108.586 108.800 -0.109 0.000 2.168 34 G HA2 -0.365 3.585 3.960 -0.018 0.000 0.263 34 G HA3 -0.365 3.585 3.960 -0.018 0.000 0.263 34 G C -0.054 174.802 174.900 -0.073 0.000 0.977 34 G CA 0.766 45.807 45.100 -0.098 0.000 0.659 34 G HN 0.755 nan 8.290 nan 0.000 0.533 35 Q N 0.398 120.168 119.800 -0.049 0.000 2.356 35 Q HA 0.443 4.772 4.340 -0.018 0.000 0.270 35 Q C 0.319 176.383 176.000 0.107 0.000 1.058 35 Q CA -0.686 55.076 55.803 -0.069 0.000 0.802 35 Q CB 0.918 29.463 28.738 -0.322 0.000 1.303 35 Q HN 0.636 nan 8.270 nan 0.000 0.444 36 N N 1.948 120.700 118.700 0.086 0.000 2.483 36 N HA 0.440 5.170 4.740 -0.018 0.000 0.269 36 N C -0.904 174.836 175.510 0.384 0.000 1.209 36 N CA -0.349 52.785 53.050 0.141 0.000 0.969 36 N CB 0.682 39.151 38.487 -0.031 0.000 1.173 36 N HN 0.283 nan 8.380 nan 0.000 0.475 37 F N -2.301 117.709 119.950 0.100 0.000 2.603 37 F HA 0.448 4.965 4.527 -0.017 0.000 0.317 37 F C -0.522 175.330 175.800 0.086 0.000 1.066 37 F CA -1.320 56.740 58.000 0.100 0.000 0.941 37 F CB 1.408 40.372 39.000 -0.060 0.000 1.291 37 F HN 0.465 nan 8.300 nan 0.000 0.472 38 Q N 2.102 122.052 119.800 0.250 0.000 2.333 38 Q HA 0.735 5.064 4.340 -0.018 0.000 0.267 38 Q C -1.561 174.512 176.000 0.122 0.000 1.012 38 Q CA -0.978 54.886 55.803 0.102 0.000 0.824 38 Q CB 2.467 31.277 28.738 0.121 0.000 1.290 38 Q HN 0.916 nan 8.270 nan 0.000 0.449 39 V N 1.274 121.190 119.914 0.004 0.000 2.962 39 V HA 0.659 4.769 4.120 -0.018 0.000 0.313 39 V C -1.123 174.918 176.094 -0.089 0.000 1.099 39 V CA -1.030 61.250 62.300 -0.034 0.000 0.971 39 V CB 1.887 33.636 31.823 -0.123 0.000 1.028 39 V HN 0.757 nan 8.190 nan 0.000 0.430 40 L N 3.569 124.724 121.223 -0.114 0.000 2.305 40 L HA 0.625 4.954 4.340 -0.018 0.000 0.284 40 L C -0.322 176.471 176.870 -0.128 0.000 1.013 40 L CA -0.337 54.444 54.840 -0.099 0.000 0.819 40 L CB 1.682 43.692 42.059 -0.081 0.000 1.227 40 L HN 0.692 nan 8.230 nan 0.000 0.417 41 M N 4.965 124.509 119.600 -0.093 0.000 2.044 41 M HA 0.471 4.941 4.480 -0.018 0.000 0.333 41 M C -0.790 175.471 176.300 -0.066 0.000 1.004 41 M CA -0.407 54.836 55.300 -0.094 0.000 0.954 41 M CB 1.038 33.605 32.600 -0.056 0.000 1.468 41 M HN 0.480 nan 8.290 nan 0.000 0.414 42 I N 6.221 126.750 120.570 -0.068 0.000 2.322 42 I HA 0.166 4.326 4.170 -0.018 0.000 0.292 42 I C 0.009 176.099 176.117 -0.044 0.000 1.060 42 I CA -0.368 60.904 61.300 -0.048 0.000 1.309 42 I CB 0.650 38.625 38.000 -0.042 0.000 1.415 42 I HN 0.617 nan 8.210 nan 0.000 0.492 43 M N 5.293 124.871 119.600 -0.037 0.000 2.363 43 M HA 0.197 4.666 4.480 -0.018 0.000 0.280 43 M C 1.271 177.555 176.300 -0.028 0.000 1.182 43 M CA -0.427 54.852 55.300 -0.035 0.000 0.974 43 M CB 0.358 32.938 32.600 -0.032 0.000 1.452 43 M HN 0.528 nan 8.290 nan 0.000 0.507 44 N N 0.556 119.240 118.700 -0.026 0.000 2.422 44 N HA -0.027 4.702 4.740 -0.018 0.000 0.181 44 N C -0.191 175.308 175.510 -0.017 0.000 1.080 44 N CA 0.425 53.462 53.050 -0.021 0.000 0.893 44 N CB 0.476 38.950 38.487 -0.021 0.000 0.973 44 N HN 0.746 nan 8.380 nan 0.000 0.456 45 K N -2.211 118.178 120.400 -0.018 0.000 2.614 45 K HA 0.546 4.855 4.320 -0.018 0.000 0.293 45 K C -0.325 176.268 176.600 -0.013 0.000 1.045 45 K CA -0.915 55.364 56.287 -0.014 0.000 0.880 45 K CB 0.369 32.862 32.500 -0.012 0.000 1.552 45 K HN -0.138 nan 8.250 nan 0.000 0.404 46 G N 0.594 109.388 108.800 -0.010 0.000 2.569 46 G HA2 0.293 4.243 3.960 -0.018 0.000 0.249 46 G HA3 0.293 4.243 3.960 -0.018 0.000 0.249 46 G C -0.634 174.263 174.900 -0.006 0.000 1.216 46 G CA -0.880 44.215 45.100 -0.008 0.000 0.845 46 G HN 0.549 nan 8.290 nan 0.000 0.568 47 L N 2.222 123.443 121.223 -0.004 0.000 2.325 47 L HA 0.473 4.802 4.340 -0.018 0.000 0.284 47 L C 1.034 177.905 176.870 0.001 0.000 1.089 47 L CA -0.645 54.194 54.840 -0.001 0.000 0.836 47 L CB -0.232 41.828 42.059 0.003 0.000 1.184 47 L HN 0.542 nan 8.230 nan 0.000 0.444 48 G N 2.292 111.094 108.800 0.003 0.000 2.491 48 G HA2 0.104 4.053 3.960 -0.018 0.000 0.242 48 G HA3 0.104 4.053 3.960 -0.018 0.000 0.242 48 G C 0.990 175.892 174.900 0.004 0.000 1.266 48 G CA 0.105 45.207 45.100 0.004 0.000 0.844 48 G HN 0.899 nan 8.290 nan 0.000 0.571 49 S N 0.719 116.420 115.700 0.002 0.000 2.500 49 S HA -0.153 4.307 4.470 -0.018 0.000 0.239 49 S C 1.610 176.208 174.600 -0.003 0.000 0.989 49 S CA 1.283 59.483 58.200 -0.001 0.000 0.951 49 S CB -0.084 63.115 63.200 -0.002 0.000 0.759 49 S HN 0.592 nan 8.310 nan 0.000 0.523 50 N N 0.985 119.686 118.700 0.001 0.000 2.220 50 N HA 0.167 4.896 4.740 -0.018 0.000 0.195 50 N C -0.082 175.434 175.510 0.010 0.000 1.123 50 N CA -0.127 52.923 53.050 0.001 0.000 0.874 50 N CB 0.365 38.855 38.487 0.006 0.000 0.995 50 N HN 0.558 nan 8.380 nan 0.000 0.498 51 E N 0.080 120.290 120.200 0.017 0.000 2.312 51 E HA 0.332 4.671 4.350 -0.018 0.000 0.259 51 E C -0.379 176.238 176.600 0.027 0.000 1.122 51 E CA -0.517 55.907 56.400 0.040 0.000 0.922 51 E CB 1.601 31.322 29.700 0.035 0.000 1.109 51 E HN 0.067 nan 8.360 nan 0.000 0.442 52 R N 1.001 121.542 120.500 0.069 0.000 2.668 52 R HA 0.437 4.767 4.340 -0.018 0.000 0.272 52 R C -1.873 174.494 176.300 0.112 0.000 1.019 52 R CA -0.522 55.594 56.100 0.027 0.000 0.894 52 R CB 1.078 31.287 30.300 -0.150 0.000 1.228 52 R HN 0.434 nan 8.270 nan 0.000 0.460 53 L N 2.978 124.227 121.223 0.044 0.000 2.385 53 L HA 0.529 4.858 4.340 -0.018 0.000 0.273 53 L C -0.651 176.197 176.870 -0.036 0.000 0.990 53 L CA -0.918 53.909 54.840 -0.022 0.000 0.821 53 L CB 2.132 44.120 42.059 -0.119 0.000 1.279 53 L HN 0.561 nan 8.230 nan 0.000 0.412 54 E N 3.018 123.170 120.200 -0.079 0.000 2.191 54 E HA 0.427 4.766 4.350 -0.018 0.000 0.263 54 E C -1.208 175.215 176.600 -0.295 0.000 0.881 54 E CA -0.499 55.858 56.400 -0.071 0.000 0.757 54 E CB 2.514 32.262 29.700 0.080 0.000 1.147 54 E HN 0.206 nan 8.360 nan 0.000 0.414 55 F N 1.977 121.665 119.950 -0.436 0.000 2.379 55 F HA 0.445 4.962 4.527 -0.017 0.000 0.332 55 F C 0.683 176.118 175.800 -0.607 0.000 1.096 55 F CA -0.446 57.192 58.000 -0.603 0.000 1.105 55 F CB 0.902 39.297 39.000 -1.009 0.000 1.189 55 F HN 0.247 nan 8.300 nan 0.000 0.515 56 I N 3.456 123.940 120.570 -0.143 0.000 2.500 56 I HA 0.335 4.495 4.170 -0.018 0.000 0.286 56 I C -1.157 174.993 176.117 0.054 0.000 1.063 56 I CA -0.933 60.334 61.300 -0.054 0.000 1.062 56 I CB 1.730 39.714 38.000 -0.027 0.000 1.223 56 I HN 0.296 nan 8.210 nan 0.000 0.435 57 V N 2.843 122.785 119.914 0.046 0.000 2.667 57 V HA 0.952 5.062 4.120 -0.018 0.000 0.308 57 V C -0.065 176.077 176.094 0.079 0.000 1.048 57 V CA -0.423 61.927 62.300 0.083 0.000 0.928 57 V CB 1.607 33.306 31.823 -0.206 0.000 1.004 57 V HN 0.809 nan 8.190 nan 0.000 0.444 58 S N 1.323 117.108 115.700 0.143 0.000 2.533 58 S HA 0.740 5.199 4.470 -0.018 0.000 0.271 58 S C -0.686 173.793 174.600 -0.202 0.000 1.143 58 S CA -0.409 57.793 58.200 0.004 0.000 0.891 58 S CB 1.747 64.940 63.200 -0.013 0.000 1.105 58 S HN 1.373 nan 8.310 nan 0.000 0.468 59 T N 0.995 115.328 114.554 -0.370 0.000 2.912 59 T HA 0.791 5.130 4.350 -0.018 0.000 0.299 59 T C 0.214 174.759 174.700 -0.258 0.000 1.052 59 T CA 0.970 62.747 62.100 -0.539 0.000 0.996 59 T CB 0.717 68.896 68.868 -1.149 0.000 1.070 59 T HN 2.479 nan 8.240 nan 0.000 0.465 60 G N 4.836 113.528 108.800 -0.180 0.000 2.710 60 G HA2 -0.064 3.885 3.960 -0.018 0.000 0.668 60 G HA3 -0.064 3.885 3.960 -0.018 0.000 0.668 60 G C -2.042 172.805 174.900 -0.089 0.000 1.320 60 G CA -0.153 44.914 45.100 -0.054 0.000 0.860 60 G HN 0.631 nan 8.290 nan 0.000 0.538 61 P HA 0.133 nan 4.420 nan 0.000 0.235 61 P C -0.037 176.862 177.300 -0.668 0.000 1.177 61 P CA 1.145 64.008 63.100 -0.394 0.000 0.785 61 P CB 0.183 31.607 31.700 -0.460 0.000 0.885 62 Y N 0.312 120.595 120.300 -0.027 0.000 2.470 62 Y HA 0.403 4.943 4.550 -0.018 0.000 0.352 62 Y C -2.344 173.541 175.900 -0.025 0.000 0.967 62 Y CA -2.930 55.152 58.100 -0.030 0.000 1.121 62 Y CB -0.031 38.404 38.460 -0.042 0.000 1.149 62 Y HN -0.072 nan 8.280 nan 0.000 0.641 63 P HA -0.026 nan 4.420 nan 0.000 0.258 63 P C -0.019 177.317 177.300 0.060 0.000 1.172 63 P CA 0.584 63.702 63.100 0.030 0.000 0.762 63 P CB 0.793 32.491 31.700 -0.004 0.000 0.764 64 S N 2.286 118.023 115.700 0.063 0.000 2.557 64 S HA 0.266 4.725 4.470 -0.018 0.000 0.291 64 S C 0.859 175.502 174.600 0.071 0.000 1.116 64 S CA -0.605 57.634 58.200 0.064 0.000 0.992 64 S CB 1.009 64.243 63.200 0.057 0.000 1.028 64 S HN 0.207 nan 8.310 nan 0.000 0.484 65 E N 2.121 122.364 120.200 0.072 0.000 2.106 65 E HA -0.094 4.245 4.350 -0.018 0.000 0.192 65 E C 2.013 178.667 176.600 0.088 0.000 0.984 65 E CA 1.665 58.118 56.400 0.088 0.000 0.806 65 E CB -0.078 29.673 29.700 0.085 0.000 0.750 65 E HN 0.753 nan 8.360 nan 0.000 0.458 66 S N -0.063 115.678 115.700 0.068 0.000 2.481 66 S HA 0.074 4.534 4.470 -0.018 0.000 0.231 66 S C 1.890 176.525 174.600 0.059 0.000 0.996 66 S CA 0.616 58.851 58.200 0.059 0.000 0.942 66 S CB 0.137 63.362 63.200 0.042 0.000 0.768 66 S HN 0.236 nan 8.310 nan 0.000 0.520 67 A N 0.780 123.637 122.820 0.062 0.000 2.308 67 A HA 0.549 4.859 4.320 -0.018 0.000 0.217 67 A C 1.133 178.769 177.584 0.087 0.000 1.216 67 A CA 0.331 52.402 52.037 0.057 0.000 0.864 67 A CB -0.416 18.609 19.000 0.042 0.000 0.902 67 A HN 0.403 nan 8.150 nan 0.000 0.499 68 M N -1.340 118.332 119.600 0.120 0.000 2.943 68 M HA -0.160 4.309 4.480 -0.018 0.000 0.198 68 M C 0.999 177.427 176.300 0.212 0.000 0.606 68 M CA 1.631 57.043 55.300 0.187 0.000 0.744 68 M CB -3.286 29.427 32.600 0.187 0.000 2.671 68 M HN 0.747 nan 8.290 nan 0.000 0.342 69 T N -2.574 112.060 114.554 0.133 0.000 3.122 69 T HA 0.393 4.732 4.350 -0.018 0.000 0.250 69 T C 0.407 175.146 174.700 0.065 0.000 1.067 69 T CA 0.304 62.455 62.100 0.086 0.000 0.966 69 T CB 0.940 69.827 68.868 0.032 0.000 1.002 69 T HN 0.512 nan 8.240 nan 0.000 0.542 70 K N 0.175 120.634 120.400 0.098 0.000 2.557 70 K HA 0.631 4.941 4.320 -0.018 0.000 0.257 70 K C -2.227 174.410 176.600 0.061 0.000 0.933 70 K CA -0.698 55.626 56.287 0.061 0.000 0.820 70 K CB 2.086 34.616 32.500 0.049 0.000 1.330 70 K HN 0.137 nan 8.250 nan 0.000 0.432 71 A N 2.758 125.576 122.820 -0.004 0.000 2.455 71 A HA 0.635 4.945 4.320 -0.018 0.000 0.300 71 A C -1.601 176.086 177.584 0.172 0.000 1.040 71 A CA -0.641 51.425 52.037 0.048 0.000 0.697 71 A CB 1.826 20.700 19.000 -0.211 0.000 1.265 71 A HN 0.291 nan 8.150 nan 0.000 0.407 72 V N 2.781 122.842 119.914 0.245 0.000 2.444 72 V HA 0.752 4.861 4.120 -0.018 0.000 0.294 72 V C -1.087 175.214 176.094 0.345 0.000 1.022 72 V CA -0.364 62.045 62.300 0.181 0.000 0.850 72 V CB 0.687 32.574 31.823 0.106 0.000 0.992 72 V HN 0.865 nan 8.190 nan 0.000 0.426 73 F N 4.615 124.658 119.950 0.155 0.000 2.591 73 F HA 0.877 5.393 4.527 -0.018 0.000 0.309 73 F C -2.992 172.937 175.800 0.214 0.000 1.098 73 F CA -3.203 54.899 58.000 0.171 0.000 0.937 73 F CB 1.629 40.741 39.000 0.188 0.000 1.250 73 F HN 0.267 nan 8.300 nan 0.000 0.447 74 P HA 0.095 nan 4.420 nan 0.000 0.277 74 P C -0.548 176.904 177.300 0.253 0.000 1.240 74 P CA -0.414 62.795 63.100 0.181 0.000 0.798 74 P CB 1.950 33.713 31.700 0.105 0.000 0.979 75 L N 2.111 123.480 121.223 0.243 0.000 2.382 75 L HA 0.231 4.561 4.340 -0.018 0.000 0.259 75 L C -0.366 176.587 176.870 0.139 0.000 1.291 75 L CA 0.755 55.752 54.840 0.261 0.000 1.176 75 L CB -1.485 40.754 42.059 0.301 0.000 1.373 75 L HN 0.391 nan 8.230 nan 0.000 0.426 76 S N 3.545 119.319 115.700 0.123 0.000 2.533 76 S HA 0.444 4.903 4.470 -0.018 0.000 0.271 76 S C -0.055 174.583 174.600 0.063 0.000 1.143 76 S CA -0.845 57.401 58.200 0.075 0.000 0.891 76 S CB 1.313 64.551 63.200 0.063 0.000 1.105 76 S HN 0.662 nan 8.310 nan 0.000 0.468 77 N N 1.579 120.302 118.700 0.037 0.000 2.231 77 N HA 0.150 4.879 4.740 -0.018 0.000 0.235 77 N C 0.771 176.295 175.510 0.024 0.000 1.322 77 N CA 1.445 54.509 53.050 0.022 0.000 0.855 77 N CB -0.551 37.944 38.487 0.012 0.000 1.029 77 N HN 1.439 nan 8.380 nan 0.000 0.447 78 G N 0.279 109.086 108.800 0.011 0.000 2.587 78 G HA2 -0.231 3.719 3.960 -0.018 0.000 0.274 78 G HA3 -0.231 3.719 3.960 -0.018 0.000 0.274 78 G C -0.006 174.898 174.900 0.007 0.000 1.046 78 G CA 0.293 45.399 45.100 0.010 0.000 1.308 78 G HN 0.821 nan 8.290 nan 0.000 0.529 79 S N 0.307 116.001 115.700 -0.011 0.000 2.589 79 S HA 0.356 4.816 4.470 -0.018 0.000 0.306 79 S C 1.225 175.812 174.600 -0.023 0.000 1.221 79 S CA 0.367 58.549 58.200 -0.030 0.000 1.159 79 S CB 1.279 64.450 63.200 -0.048 0.000 0.990 79 S HN 1.004 nan 8.310 nan 0.000 0.514 80 S N 3.700 119.392 115.700 -0.013 0.000 2.942 80 S HA 0.342 4.802 4.470 -0.018 0.000 0.244 80 S C 1.829 176.418 174.600 -0.019 0.000 1.011 80 S CA 0.082 58.282 58.200 0.001 0.000 1.102 80 S CB -1.066 62.153 63.200 0.033 0.000 0.812 80 S HN 1.337 nan 8.310 nan 0.000 0.486 81 G N 1.223 109.997 108.800 -0.044 0.000 3.163 81 G HA2 -0.348 3.601 3.960 -0.018 0.000 0.227 81 G HA3 -0.348 3.601 3.960 -0.018 0.000 0.227 81 G C 0.735 175.571 174.900 -0.107 0.000 1.300 81 G CA 0.296 45.360 45.100 -0.060 0.000 0.867 81 G HN 0.768 nan 8.290 nan 0.000 0.533 82 G N -0.422 108.318 108.800 -0.099 0.000 3.229 82 G HA2 0.409 4.358 3.960 -0.018 0.000 0.165 82 G HA3 0.409 4.358 3.960 -0.018 0.000 0.165 82 G C 0.048 174.762 174.900 -0.309 0.000 1.753 82 G CA -0.108 44.882 45.100 -0.183 0.000 1.054 82 G HN 0.441 nan 8.290 nan 0.000 0.544 83 W N 1.198 122.327 121.300 -0.286 0.000 2.216 83 W HA 0.485 5.134 4.660 -0.018 0.000 0.326 83 W C 0.609 176.654 176.519 -0.790 0.000 1.319 83 W CA 0.360 57.290 57.345 -0.692 0.000 1.213 83 W CB 0.957 29.834 29.460 -0.972 0.000 1.171 83 W HN 0.607 nan 8.180 nan 0.000 0.557 84 S N 1.229 116.557 115.700 -0.621 0.000 2.587 84 S HA 0.872 5.332 4.470 -0.018 0.000 0.269 84 S C -1.290 173.307 174.600 -0.004 0.000 1.154 84 S CA -1.120 56.974 58.200 -0.177 0.000 0.824 84 S CB 1.481 64.633 63.200 -0.079 0.000 1.118 84 S HN 0.988 nan 8.310 nan 0.000 0.462 85 A N 1.029 123.954 122.820 0.175 0.000 2.381 85 A HA 0.784 5.094 4.320 -0.018 0.000 0.299 85 A C -1.195 176.387 177.584 -0.002 0.000 1.049 85 A CA -0.747 51.284 52.037 -0.009 0.000 0.715 85 A CB 1.582 20.486 19.000 -0.159 0.000 1.222 85 A HN 1.246 nan 8.150 nan 0.000 0.428 86 V N 3.088 122.966 119.914 -0.061 0.000 2.487 86 V HA 0.351 4.461 4.120 -0.018 0.000 0.298 86 V C -0.495 175.584 176.094 -0.026 0.000 1.028 86 V CA -0.548 61.737 62.300 -0.026 0.000 0.860 86 V CB 1.532 33.334 31.823 -0.035 0.000 0.991 86 V HN 0.839 nan 8.190 nan 0.000 0.427 87 L N 5.314 126.539 121.223 0.005 0.000 2.342 87 L HA 0.296 4.626 4.340 -0.018 0.000 0.285 87 L C 1.204 178.070 176.870 -0.007 0.000 1.095 87 L CA 0.881 55.725 54.840 0.006 0.000 0.843 87 L CB 0.689 42.763 42.059 0.024 0.000 1.201 87 L HN 0.738 nan 8.230 nan 0.000 0.445 88 Q N 4.062 123.851 119.800 -0.019 0.000 2.212 88 Q HA 0.355 4.684 4.340 -0.018 0.000 0.199 88 Q C 0.147 176.136 176.000 -0.017 0.000 0.950 88 Q CA 0.867 56.658 55.803 -0.020 0.000 0.863 88 Q CB 0.268 28.989 28.738 -0.028 0.000 0.944 88 Q HN 0.790 nan 8.270 nan 0.000 0.465 89 A N -0.012 122.797 122.820 -0.019 0.000 2.605 89 A HA 0.592 4.901 4.320 -0.018 0.000 0.294 89 A C -1.309 176.265 177.584 -0.016 0.000 1.062 89 A CA -0.643 51.384 52.037 -0.018 0.000 0.682 89 A CB 1.863 20.849 19.000 -0.024 0.000 1.278 89 A HN -0.033 nan 8.150 nan 0.000 0.410 90 S N 1.792 117.483 115.700 -0.014 0.000 2.659 90 S HA 0.578 5.037 4.470 -0.018 0.000 0.312 90 S C -1.060 173.531 174.600 -0.015 0.000 1.114 90 S CA -0.704 57.488 58.200 -0.013 0.000 1.063 90 S CB 0.783 63.979 63.200 -0.008 0.000 0.996 90 S HN 0.565 nan 8.310 nan 0.000 0.478 91 N N 2.356 121.045 118.700 -0.018 0.000 2.531 91 N HA 0.497 5.226 4.740 -0.018 0.000 0.268 91 N C 0.670 176.170 175.510 -0.017 0.000 1.023 91 N CA -0.006 53.033 53.050 -0.018 0.000 0.896 91 N CB 1.725 40.199 38.487 -0.022 0.000 1.233 91 N HN 0.855 nan 8.380 nan 0.000 0.512 92 G N 3.289 112.081 108.800 -0.014 0.000 2.561 92 G HA2 -0.357 3.593 3.960 -0.018 0.000 0.289 92 G HA3 -0.357 3.593 3.960 -0.018 0.000 0.289 92 G C 0.373 175.264 174.900 -0.014 0.000 1.169 92 G CA -0.017 45.075 45.100 -0.014 0.000 0.980 92 G HN 0.554 nan 8.290 nan 0.000 0.550 93 N N 1.411 120.101 118.700 -0.016 0.000 2.230 93 N HA 0.207 4.936 4.740 -0.018 0.000 0.202 93 N C 0.140 175.636 175.510 -0.022 0.000 1.119 93 N CA 0.868 53.907 53.050 -0.018 0.000 0.851 93 N CB 0.599 39.075 38.487 -0.018 0.000 0.990 93 N HN 0.514 nan 8.380 nan 0.000 0.497 94 T N 1.703 116.243 114.554 -0.023 0.000 2.744 94 T HA 0.431 4.770 4.350 -0.018 0.000 0.291 94 T C 0.372 175.056 174.700 -0.026 0.000 0.957 94 T CA -0.364 61.718 62.100 -0.029 0.000 1.002 94 T CB 1.171 70.019 68.868 -0.033 0.000 0.919 94 T HN -0.041 nan 8.240 nan 0.000 0.468 95 L N 3.326 124.534 121.223 -0.025 0.000 2.282 95 L HA 0.394 4.723 4.340 -0.018 0.000 0.288 95 L C 0.518 177.374 176.870 -0.025 0.000 1.033 95 L CA -0.787 54.044 54.840 -0.015 0.000 0.807 95 L CB 1.137 43.199 42.059 0.005 0.000 1.209 95 L HN 0.539 nan 8.230 nan 0.000 0.423 96 T N 4.855 119.391 114.554 -0.029 0.000 2.794 96 T HA 0.493 4.833 4.350 -0.018 0.000 0.304 96 T C 0.135 174.810 174.700 -0.041 0.000 0.973 96 T CA -0.050 62.024 62.100 -0.043 0.000 0.972 96 T CB -0.067 68.772 68.868 -0.049 0.000 0.952 96 T HN 0.267 nan 8.240 nan 0.000 0.509 97 I N 2.046 122.584 120.570 -0.054 0.000 2.525 97 I HA 0.452 4.612 4.170 -0.018 0.000 0.301 97 I C 0.434 176.465 176.117 -0.143 0.000 0.992 97 I CA -0.745 60.506 61.300 -0.082 0.000 1.162 97 I CB 1.904 39.864 38.000 -0.066 0.000 1.332 97 I HN 0.424 nan 8.210 nan 0.000 0.458 98 S N 6.464 122.061 115.700 -0.170 0.000 2.530 98 S HA 0.623 5.083 4.470 -0.018 0.000 0.322 98 S C -0.721 173.680 174.600 -0.333 0.000 1.085 98 S CA -0.563 57.509 58.200 -0.214 0.000 1.096 98 S CB 0.369 63.498 63.200 -0.117 0.000 0.988 98 S HN 0.401 nan 8.310 nan 0.000 0.466 99 I N 3.664 123.873 120.570 -0.601 0.000 2.392 99 I HA 0.424 4.583 4.170 -0.018 0.000 0.295 99 I C 0.263 176.037 176.117 -0.572 0.000 0.985 99 I CA -0.522 60.375 61.300 -0.672 0.000 1.221 99 I CB 1.970 39.371 38.000 -0.997 0.000 1.366 99 I HN 0.544 nan 8.210 nan 0.000 0.467 100 S N 4.298 119.806 115.700 -0.320 0.000 2.532 100 S HA 0.723 5.182 4.470 -0.018 0.000 0.301 100 S C -0.441 173.916 174.600 -0.405 0.000 1.083 100 S CA -0.482 57.564 58.200 -0.258 0.000 1.025 100 S CB 1.448 64.519 63.200 -0.215 0.000 1.056 100 S HN 0.713 nan 8.310 nan 0.000 0.494 101 S N 3.454 118.826 115.700 -0.547 0.000 2.638 101 S HA 0.796 5.255 4.470 -0.018 0.000 0.302 101 S C -3.160 170.963 174.600 -0.794 0.000 1.096 101 S CA -1.540 55.906 58.200 -1.256 0.000 0.953 101 S CB 1.685 64.090 63.200 -1.325 0.000 1.107 101 S HN 0.612 nan 8.310 nan 0.000 0.503 102 P HA 0.334 nan 4.420 nan 0.000 0.282 102 P C 0.467 177.630 177.300 -0.229 0.000 1.249 102 P CA -0.471 62.396 63.100 -0.389 0.000 0.806 102 P CB 1.295 32.826 31.700 -0.282 0.000 0.984 103 A N 2.855 125.604 122.820 -0.119 0.000 2.070 103 A HA -0.121 4.189 4.320 -0.018 0.000 0.220 103 A C 1.678 179.274 177.584 0.020 0.000 1.159 103 A CA 1.881 53.898 52.037 -0.033 0.000 0.656 103 A CB -1.200 17.794 19.000 -0.011 0.000 0.800 103 A HN 0.636 nan 8.150 nan 0.000 0.453 104 S N -1.053 114.651 115.700 0.007 0.000 2.583 104 S HA 0.630 5.089 4.470 -0.018 0.000 0.239 104 S C 0.596 175.242 174.600 0.075 0.000 0.966 104 S CA 0.092 58.327 58.200 0.058 0.000 0.973 104 S CB -0.385 62.847 63.200 0.054 0.000 0.794 104 S HN 0.740 nan 8.310 nan 0.000 0.463 105 A N 2.605 125.454 122.820 0.048 0.000 2.407 105 A HA 0.597 4.907 4.320 -0.018 0.000 0.248 105 A C -2.625 175.059 177.584 0.168 0.000 1.082 105 A CA -1.409 50.716 52.037 0.147 0.000 0.785 105 A CB -0.341 18.721 19.000 0.104 0.000 1.020 105 A HN 0.314 nan 8.150 nan 0.000 0.489 106 P HA 0.268 nan 4.420 nan 0.000 0.271 106 P C -0.180 177.220 177.300 0.167 0.000 1.216 106 P CA -0.056 63.137 63.100 0.155 0.000 0.776 106 P CB 0.458 32.244 31.700 0.143 0.000 0.881 107 I N -0.466 120.075 120.570 -0.048 0.000 2.886 107 I HA 0.835 4.995 4.170 -0.018 0.000 0.299 107 I C 0.692 176.816 176.117 0.010 0.000 1.044 107 I CA -0.273 60.977 61.300 -0.084 0.000 1.310 107 I CB 0.523 38.258 38.000 -0.442 0.000 1.441 107 I HN 0.608 nan 8.210 nan 0.000 0.578 108 G N 2.964 111.787 108.800 0.037 0.000 2.315 108 G HA2 0.033 3.983 3.960 -0.018 0.000 0.296 108 G HA3 0.033 3.983 3.960 -0.018 0.000 0.296 108 G C -1.107 173.776 174.900 -0.028 0.000 1.289 108 G CA -1.116 43.965 45.100 -0.032 0.000 0.996 108 G HN 0.812 nan 8.290 nan 0.000 0.487 109 R N -0.377 120.038 120.500 -0.142 0.000 2.308 109 R HA 0.567 4.896 4.340 -0.018 0.000 0.305 109 R C -1.069 175.043 176.300 -0.314 0.000 1.053 109 R CA -0.098 55.889 56.100 -0.189 0.000 0.957 109 R CB 0.719 30.916 30.300 -0.172 0.000 1.022 109 R HN 0.453 nan 8.270 nan 0.000 0.461 110 Y N -0.040 119.902 120.300 -0.596 0.000 2.524 110 Y HA 0.332 4.871 4.550 -0.018 0.000 0.344 110 Y C 0.374 175.957 175.900 -0.527 0.000 1.012 110 Y CA -0.564 57.142 58.100 -0.657 0.000 1.068 110 Y CB 2.553 40.307 38.460 -1.176 0.000 1.249 110 Y HN 0.437 nan 8.280 nan 0.000 0.468 111 T N 3.828 118.341 114.554 -0.070 0.000 2.855 111 T HA 0.536 4.876 4.350 -0.018 0.000 0.281 111 T C -0.970 173.854 174.700 0.206 0.000 1.007 111 T CA -0.729 61.393 62.100 0.035 0.000 1.009 111 T CB 0.954 69.827 68.868 0.009 0.000 0.983 111 T HN 0.558 nan 8.240 nan 0.000 0.455 112 M N 3.049 122.834 119.600 0.308 0.000 2.197 112 M HA 0.718 5.188 4.480 -0.018 0.000 0.301 112 M C -1.210 175.255 176.300 0.275 0.000 0.987 112 M CA -0.602 54.933 55.300 0.392 0.000 0.921 112 M CB 0.920 33.903 32.600 0.639 0.000 1.569 112 M HN 0.749 nan 8.290 nan 0.000 0.431 113 A N 4.132 127.049 122.820 0.161 0.000 2.350 113 A HA 0.915 5.225 4.320 -0.018 0.000 0.318 113 A C -1.934 175.630 177.584 -0.033 0.000 1.132 113 A CA -0.761 51.315 52.037 0.065 0.000 0.811 113 A CB 1.690 20.703 19.000 0.022 0.000 1.313 113 A HN 0.835 nan 8.150 nan 0.000 0.454 114 L N 0.069 121.223 121.223 -0.115 0.000 2.385 114 L HA 0.544 4.873 4.340 -0.018 0.000 0.273 114 L C -0.386 176.356 176.870 -0.214 0.000 0.990 114 L CA -0.079 54.595 54.840 -0.276 0.000 0.821 114 L CB 1.995 43.843 42.059 -0.353 0.000 1.279 114 L HN 0.816 nan 8.230 nan 0.000 0.412 115 Q N 4.532 124.202 119.800 -0.217 0.000 2.271 115 Q HA 0.632 4.961 4.340 -0.018 0.000 0.258 115 Q C -1.495 174.414 176.000 -0.152 0.000 0.936 115 Q CA -0.490 55.209 55.803 -0.175 0.000 0.909 115 Q CB 1.373 30.048 28.738 -0.104 0.000 1.253 115 Q HN 0.719 nan 8.270 nan 0.000 0.440 116 I N 4.117 124.562 120.570 -0.210 0.000 2.418 116 I HA 0.306 4.465 4.170 -0.018 0.000 0.287 116 I C -1.060 174.938 176.117 -0.198 0.000 1.008 116 I CA -0.701 60.528 61.300 -0.118 0.000 1.104 116 I CB 1.240 39.176 38.000 -0.107 0.000 1.264 116 I HN 0.592 nan 8.210 nan 0.000 0.438 117 F N 4.755 124.667 119.950 -0.062 0.000 2.334 117 F HA 0.433 4.949 4.527 -0.018 0.000 0.367 117 F C 0.565 176.342 175.800 -0.037 0.000 1.115 117 F CA -0.253 57.721 58.000 -0.043 0.000 1.116 117 F CB 1.374 40.353 39.000 -0.035 0.000 1.230 117 F HN 0.338 nan 8.300 nan 0.000 0.484 118 S N 2.743 118.486 115.700 0.072 0.000 2.536 118 S HA 0.311 4.770 4.470 -0.018 0.000 0.271 118 S C -0.736 173.877 174.600 0.022 0.000 1.134 118 S CA -0.605 57.621 58.200 0.042 0.000 0.897 118 S CB 1.057 64.262 63.200 0.008 0.000 1.094 118 S HN 0.693 nan 8.310 nan 0.000 0.473 119 Q N 2.321 122.135 119.800 0.024 0.000 2.439 119 Q HA -0.217 4.112 4.340 -0.018 0.000 0.325 119 Q C 0.954 176.963 176.000 0.015 0.000 1.372 119 Q CA 0.857 56.668 55.803 0.014 0.000 0.909 119 Q CB -2.123 26.616 28.738 0.002 0.000 1.167 119 Q HN 1.729 nan 8.270 nan 0.000 0.418 120 G N -2.033 106.786 108.800 0.032 0.000 2.175 120 G HA2 -0.287 3.662 3.960 -0.018 0.000 0.265 120 G HA3 -0.287 3.662 3.960 -0.018 0.000 0.265 120 G C 0.358 175.271 174.900 0.021 0.000 0.979 120 G CA 0.408 45.527 45.100 0.032 0.000 0.663 120 G HN 1.009 nan 8.290 nan 0.000 0.533 121 G N -1.260 107.542 108.800 0.003 0.000 3.015 121 G HA2 0.767 4.716 3.960 -0.018 0.000 0.281 121 G HA3 0.767 4.716 3.960 -0.018 0.000 0.281 121 G C -0.969 173.864 174.900 -0.112 0.000 1.386 121 G CA -0.963 44.113 45.100 -0.041 0.000 0.959 121 G HN 0.665 nan 8.290 nan 0.000 0.522 122 I N 0.932 121.393 120.570 -0.183 0.000 2.533 122 I HA 0.459 4.618 4.170 -0.018 0.000 0.290 122 I C -0.132 175.836 176.117 -0.248 0.000 1.056 122 I CA -0.740 60.352 61.300 -0.347 0.000 1.057 122 I CB 2.446 40.154 38.000 -0.485 0.000 1.240 122 I HN 0.606 nan 8.210 nan 0.000 0.423 123 S N 3.351 118.902 115.700 -0.249 0.000 2.599 123 S HA 0.792 5.252 4.470 -0.018 0.000 0.294 123 S C -0.792 173.700 174.600 -0.181 0.000 1.094 123 S CA -0.717 57.382 58.200 -0.169 0.000 0.931 123 S CB 2.220 65.347 63.200 -0.121 0.000 1.093 123 S HN 0.542 nan 8.310 nan 0.000 0.488 124 S N 0.301 115.921 115.700 -0.133 0.000 2.548 124 S HA 0.734 5.193 4.470 -0.018 0.000 0.276 124 S C -1.614 172.937 174.600 -0.081 0.000 1.129 124 S CA -0.536 57.592 58.200 -0.119 0.000 0.931 124 S CB 1.400 64.534 63.200 -0.111 0.000 1.068 124 S HN 1.382 nan 8.310 nan 0.000 0.480 125 V N 4.941 124.810 119.914 -0.074 0.000 2.888 125 V HA 0.615 4.724 4.120 -0.018 0.000 0.309 125 V C -0.761 175.326 176.094 -0.012 0.000 1.114 125 V CA -0.878 61.398 62.300 -0.040 0.000 0.940 125 V CB 1.965 33.764 31.823 -0.041 0.000 1.021 125 V HN 0.952 nan 8.190 nan 0.000 0.426 126 K N 4.774 125.186 120.400 0.020 0.000 2.322 126 K HA 0.395 4.705 4.320 -0.018 0.000 0.283 126 K C 0.318 176.988 176.600 0.116 0.000 1.042 126 K CA -0.335 55.992 56.287 0.066 0.000 0.958 126 K CB 1.109 33.646 32.500 0.062 0.000 0.984 126 K HN 0.788 nan 8.250 nan 0.000 0.473 127 L N 2.699 124.042 121.223 0.199 0.000 2.253 127 L HA 0.255 4.585 4.340 -0.018 0.000 0.205 127 L C 1.138 178.334 176.870 0.543 0.000 1.078 127 L CA 0.555 55.585 54.840 0.317 0.000 0.805 127 L CB 0.147 42.414 42.059 0.348 0.000 0.963 127 L HN 1.014 nan 8.230 nan 0.000 0.459 128 G N -0.563 108.502 108.800 0.443 0.000 2.352 128 G HA2 0.234 4.183 3.960 -0.018 0.000 0.283 128 G HA3 0.234 4.183 3.960 -0.018 0.000 0.283 128 G C -1.106 173.865 174.900 0.118 0.000 1.308 128 G CA -0.107 45.159 45.100 0.277 0.000 0.892 128 G HN 0.005 nan 8.290 nan 0.000 0.504 129 T N -1.938 112.570 114.554 -0.077 0.000 2.916 129 T HA 0.919 5.259 4.350 -0.018 0.000 0.292 129 T C -0.622 174.004 174.700 -0.124 0.000 1.064 129 T CA -0.182 61.872 62.100 -0.077 0.000 1.011 129 T CB 2.185 70.987 68.868 -0.109 0.000 1.152 129 T HN 1.984 nan 8.240 nan 0.000 0.510 130 F N -1.034 118.796 119.950 -0.200 0.000 2.715 130 F HA 0.849 5.365 4.527 -0.018 0.000 0.318 130 F C -1.874 173.865 175.800 -0.102 0.000 1.141 130 F CA -1.876 55.979 58.000 -0.242 0.000 0.950 130 F CB 0.982 39.784 39.000 -0.330 0.000 1.374 130 F HN 0.597 nan 8.300 nan 0.000 0.477 131 I N 2.260 122.823 120.570 -0.011 0.000 2.474 131 I HA 0.501 4.661 4.170 -0.018 0.000 0.294 131 I C -1.512 174.649 176.117 0.074 0.000 1.005 131 I CA -1.004 60.265 61.300 -0.052 0.000 1.113 131 I CB 1.988 39.926 38.000 -0.103 0.000 1.289 131 I HN 0.549 nan 8.210 nan 0.000 0.436 132 L N 7.500 128.781 121.223 0.097 0.000 2.349 132 L HA 0.626 4.956 4.340 -0.018 0.000 0.278 132 L C -1.000 175.894 176.870 0.040 0.000 0.996 132 L CA -0.102 54.810 54.840 0.120 0.000 0.825 132 L CB 1.296 43.453 42.059 0.162 0.000 1.243 132 L HN 0.445 nan 8.230 nan 0.000 0.412 133 L N 2.915 124.158 121.223 0.033 0.000 2.271 133 L HA 0.575 4.905 4.340 -0.018 0.000 0.265 133 L C -0.496 176.388 176.870 0.022 0.000 1.013 133 L CA -0.968 53.876 54.840 0.007 0.000 0.820 133 L CB 1.081 43.223 42.059 0.138 0.000 1.352 133 L HN 0.301 nan 8.230 nan 0.000 0.443 134 F N 0.362 120.428 119.950 0.194 0.000 2.490 134 F HA 0.101 4.617 4.527 -0.018 0.000 0.336 134 F C 0.840 176.799 175.800 0.265 0.000 1.178 134 F CA 0.120 58.240 58.000 0.200 0.000 1.301 134 F CB 0.146 39.259 39.000 0.188 0.000 1.175 134 F HN 0.352 nan 8.300 nan 0.000 0.593 135 N N 2.774 121.760 118.700 0.476 0.000 2.776 135 N HA 0.314 5.044 4.740 -0.018 0.000 0.245 135 N C -2.349 173.458 175.510 0.494 0.000 1.121 135 N CA -2.190 51.145 53.050 0.474 0.000 0.852 135 N CB 1.000 39.686 38.487 0.333 0.000 1.142 135 N HN 0.066 nan 8.380 nan 0.000 0.514 136 P HA 0.015 nan 4.420 nan 0.000 0.231 136 P C 0.855 178.229 177.300 0.124 0.000 1.158 136 P CA 0.742 63.950 63.100 0.180 0.000 0.763 136 P CB 0.112 31.747 31.700 -0.109 0.000 0.805 137 W N -1.519 119.919 121.300 0.230 0.000 2.812 137 W HA 0.202 4.850 4.660 -0.019 0.000 0.263 137 W C 0.565 177.287 176.519 0.338 0.000 1.284 137 W CA -0.082 57.403 57.345 0.234 0.000 1.430 137 W CB 0.158 29.685 29.460 0.112 0.000 1.088 137 W HN -0.104 nan 8.180 nan 0.000 0.623 138 L N 3.741 125.253 121.223 0.482 0.000 2.283 138 L HA -0.014 4.316 4.340 -0.018 0.000 0.287 138 L C 1.326 178.142 176.870 -0.089 0.000 1.073 138 L CA -0.018 54.939 54.840 0.196 0.000 0.822 138 L CB 0.763 42.913 42.059 0.151 0.000 1.186 138 L HN 0.030 nan 8.230 nan 0.000 0.436 139 N N 3.736 122.075 118.700 -0.602 0.000 2.132 139 N HA -0.232 4.497 4.740 -0.018 0.000 0.191 139 N C 1.117 176.254 175.510 -0.623 0.000 1.015 139 N CA 2.034 54.252 53.050 -1.386 0.000 0.864 139 N CB -0.643 37.329 38.487 -0.858 0.000 1.006 139 N HN 0.494 nan 8.380 nan 0.000 0.430 140 V N -4.201 115.558 119.914 -0.259 0.000 3.541 140 V HA 0.109 4.219 4.120 -0.018 0.000 0.267 140 V C 0.557 176.654 176.094 0.004 0.000 1.213 140 V CA 0.078 62.316 62.300 -0.103 0.000 1.149 140 V CB -0.773 31.008 31.823 -0.070 0.000 0.822 140 V HN 0.090 nan 8.190 nan 0.000 0.462 141 D N 1.664 122.103 120.400 0.066 0.000 2.345 141 D HA 0.110 4.740 4.640 -0.018 0.000 0.247 141 D C 1.565 177.981 176.300 0.195 0.000 1.108 141 D CA 0.961 55.058 54.000 0.162 0.000 0.894 141 D CB 2.120 43.065 40.800 0.242 0.000 1.203 141 D HN 0.385 nan 8.370 nan 0.000 0.430 142 S N 1.639 117.439 115.700 0.167 0.000 2.442 142 S HA -0.163 4.297 4.470 -0.018 0.000 0.236 142 S C 1.736 176.435 174.600 0.165 0.000 1.007 142 S CA 1.141 59.422 58.200 0.136 0.000 0.965 142 S CB -0.544 62.706 63.200 0.084 0.000 0.773 142 S HN 0.445 nan 8.310 nan 0.000 0.504 143 V N -2.274 117.760 119.914 0.199 0.000 3.633 143 V HA 0.427 4.537 4.120 -0.018 0.000 0.283 143 V C 0.611 176.894 176.094 0.315 0.000 1.305 143 V CA -0.897 61.537 62.300 0.223 0.000 1.153 143 V CB -1.790 30.111 31.823 0.130 0.000 0.950 143 V HN 0.338 nan 8.190 nan 0.000 0.432 144 F N 2.625 122.678 119.950 0.172 0.000 2.604 144 F HA 0.279 4.796 4.527 -0.017 0.000 0.393 144 F C 0.133 176.048 175.800 0.191 0.000 1.043 144 F CA 0.122 58.208 58.000 0.144 0.000 1.227 144 F CB 0.347 39.417 39.000 0.116 0.000 1.016 144 F HN 0.261 nan 8.300 nan 0.000 0.556 145 M N 7.033 126.142 119.600 -0.818 0.000 2.067 145 M HA 0.336 4.805 4.480 -0.018 0.000 0.286 145 M C 0.646 176.232 176.300 -1.190 0.000 0.922 145 M CA -0.207 54.529 55.300 -0.940 0.000 0.937 145 M CB 1.295 33.417 32.600 -0.797 0.000 1.550 145 M HN 0.749 nan 8.290 nan 0.000 0.433 146 G N 3.366 111.404 108.800 -1.271 0.000 2.448 146 G HA2 -0.135 3.814 3.960 -0.018 0.000 0.218 146 G HA3 -0.135 3.814 3.960 -0.018 0.000 0.218 146 G C 0.569 175.284 174.900 -0.309 0.000 1.135 146 G CA 0.038 44.726 45.100 -0.687 0.000 0.784 146 G HN 0.692 nan 8.290 nan 0.000 0.543 147 N N -0.083 118.420 118.700 -0.329 0.000 2.458 147 N HA 0.034 4.763 4.740 -0.018 0.000 0.270 147 N C 0.985 176.373 175.510 -0.203 0.000 1.102 147 N CA -0.284 52.648 53.050 -0.197 0.000 0.967 147 N CB 1.035 39.410 38.487 -0.186 0.000 1.078 147 N HN 0.218 nan 8.380 nan 0.000 0.471 148 H N 4.481 123.444 119.070 -0.178 0.000 2.267 148 H HA -0.077 4.468 4.556 -0.018 0.000 0.297 148 H C 1.764 176.994 175.328 -0.164 0.000 1.080 148 H CA 2.785 58.737 56.048 -0.159 0.000 1.278 148 H CB -0.081 29.637 29.762 -0.072 0.000 1.365 148 H HN 0.732 nan 8.280 nan 0.000 0.489 149 A N 0.620 123.321 122.820 -0.199 0.000 1.908 149 A HA -0.232 4.077 4.320 -0.018 0.000 0.218 149 A C 2.289 179.672 177.584 -0.334 0.000 1.181 149 A CA 2.054 53.940 52.037 -0.252 0.000 0.627 149 A CB -0.617 18.316 19.000 -0.111 0.000 0.818 149 A HN 0.716 nan 8.150 nan 0.000 0.445 150 E N -1.025 118.991 120.200 -0.306 0.000 2.072 150 E HA -0.187 4.153 4.350 -0.018 0.000 0.191 150 E C 2.344 178.713 176.600 -0.384 0.000 0.985 150 E CA 1.059 57.239 56.400 -0.367 0.000 0.801 150 E CB -0.189 29.405 29.700 -0.177 0.000 0.750 150 E HN 0.581 nan 8.360 nan 0.000 0.452 151 R N 0.965 121.230 120.500 -0.391 0.000 2.081 151 R HA -0.166 4.163 4.340 -0.018 0.000 0.235 151 R C 1.932 178.014 176.300 -0.364 0.000 1.131 151 R CA 1.211 57.049 56.100 -0.437 0.000 0.960 151 R CB 0.076 29.974 30.300 -0.670 0.000 0.856 151 R HN 0.097 nan 8.270 nan 0.000 0.436 152 E N 0.396 120.357 120.200 -0.399 0.000 2.110 152 E HA -0.219 4.120 4.350 -0.018 0.000 0.193 152 E C 1.767 178.258 176.600 -0.181 0.000 0.988 152 E CA 1.279 57.522 56.400 -0.263 0.000 0.804 152 E CB -0.025 29.472 29.700 -0.339 0.000 0.745 152 E HN 0.398 nan 8.360 nan 0.000 0.458 153 E N 0.032 120.046 120.200 -0.310 0.000 2.051 153 E HA -0.134 4.206 4.350 -0.018 0.000 0.189 153 E C 1.491 177.964 176.600 -0.212 0.000 0.979 153 E CA 0.955 57.159 56.400 -0.325 0.000 0.803 153 E CB -0.249 29.086 29.700 -0.608 0.000 0.761 153 E HN 0.223 nan 8.360 nan 0.000 0.451 154 Y N -0.813 119.464 120.300 -0.037 0.000 2.546 154 Y HA 0.143 4.683 4.550 -0.016 0.000 0.287 154 Y C 1.646 177.537 175.900 -0.015 0.000 1.158 154 Y CA 0.230 58.328 58.100 -0.003 0.000 1.307 154 Y CB 0.304 38.799 38.460 0.058 0.000 1.036 154 Y HN -0.014 nan 8.280 nan 0.000 0.532 155 V N -1.715 118.254 119.914 0.093 0.000 3.102 155 V HA -0.017 4.092 4.120 -0.018 0.000 0.225 155 V C 1.626 177.832 176.094 0.187 0.000 1.301 155 V CA 0.430 62.802 62.300 0.121 0.000 1.308 155 V CB 0.135 32.006 31.823 0.080 0.000 1.129 155 V HN 0.033 nan 8.190 nan 0.000 0.502 156 Q N 0.455 120.379 119.800 0.205 0.000 2.424 156 Q HA 0.100 4.430 4.340 -0.018 0.000 0.204 156 Q C 0.673 176.878 176.000 0.343 0.000 0.933 156 Q CA 0.252 56.262 55.803 0.346 0.000 0.929 156 Q CB 0.278 29.168 28.738 0.253 0.000 1.037 156 Q HN 0.581 nan 8.270 nan 0.000 0.511 157 E N 2.448 122.770 120.200 0.204 0.000 2.229 157 E HA 0.018 4.358 4.350 -0.018 0.000 0.283 157 E C -0.170 176.603 176.600 0.288 0.000 1.030 157 E CA -0.103 56.428 56.400 0.218 0.000 0.836 157 E CB 0.715 30.502 29.700 0.144 0.000 1.068 157 E HN 0.056 nan 8.360 nan 0.000 0.401 158 D N 2.733 123.320 120.400 0.311 0.000 2.398 158 D HA 0.177 4.806 4.640 -0.018 0.000 0.210 158 D C -0.267 176.182 176.300 0.249 0.000 1.094 158 D CA -0.277 53.912 54.000 0.314 0.000 0.839 158 D CB 0.272 41.212 40.800 0.233 0.000 0.963 158 D HN 0.264 nan 8.370 nan 0.000 0.506 159 A N 0.186 123.112 122.820 0.177 0.000 2.303 159 A HA 0.739 5.049 4.320 -0.018 0.000 0.320 159 A C 0.305 177.878 177.584 -0.019 0.000 1.192 159 A CA -0.224 51.811 52.037 -0.004 0.000 0.821 159 A CB 1.437 20.444 19.000 0.011 0.000 1.188 159 A HN 0.222 nan 8.150 nan 0.000 0.492 160 G N 0.557 109.182 108.800 -0.293 0.000 2.816 160 G HA2 0.658 4.608 3.960 -0.018 0.000 0.288 160 G HA3 0.658 4.608 3.960 -0.018 0.000 0.288 160 G C -1.230 173.593 174.900 -0.129 0.000 1.334 160 G CA -0.545 44.456 45.100 -0.166 0.000 0.978 160 G HN 0.501 nan 8.290 nan 0.000 0.493 161 I N 0.589 121.121 120.570 -0.062 0.000 2.534 161 I HA 0.423 4.583 4.170 -0.018 0.000 0.288 161 I C -0.772 175.193 176.117 -0.252 0.000 1.077 161 I CA -0.600 60.579 61.300 -0.202 0.000 1.051 161 I CB 1.590 39.435 38.000 -0.258 0.000 1.234 161 I HN 0.309 nan 8.210 nan 0.000 0.425 162 I N 5.768 126.137 120.570 -0.337 0.000 2.406 162 I HA 0.368 4.528 4.170 -0.018 0.000 0.290 162 I C -0.668 175.155 176.117 -0.491 0.000 0.999 162 I CA -0.611 60.513 61.300 -0.294 0.000 1.124 162 I CB 1.619 39.513 38.000 -0.176 0.000 1.289 162 I HN 0.239 nan 8.210 nan 0.000 0.441 163 F N 6.194 126.034 119.950 -0.182 0.000 2.396 163 F HA 0.512 5.029 4.527 -0.017 0.000 0.343 163 F C 0.614 176.148 175.800 -0.443 0.000 1.104 163 F CA -0.248 57.632 58.000 -0.201 0.000 1.161 163 F CB 1.248 40.213 39.000 -0.059 0.000 1.146 163 F HN 0.211 nan 8.300 nan 0.000 0.522 164 V N -0.493 119.217 119.914 -0.339 0.000 3.069 164 V HA 1.047 5.157 4.120 -0.018 0.000 0.312 164 V C 0.131 176.022 176.094 -0.339 0.000 1.369 164 V CA -0.257 61.462 62.300 -0.967 0.000 1.047 164 V CB 1.035 32.263 31.823 -0.992 0.000 1.098 164 V HN 1.281 nan 8.190 nan 0.000 0.473 165 G N 0.483 109.103 108.800 -0.300 0.000 2.601 165 G HA2 0.300 4.250 3.960 -0.018 0.000 0.224 165 G HA3 0.300 4.250 3.960 -0.018 0.000 0.224 165 G C 0.036 175.232 174.900 0.492 0.000 1.171 165 G CA 0.489 45.687 45.100 0.164 0.000 1.009 165 G HN 2.636 nan 8.290 nan 0.000 0.589 166 S N -2.295 113.622 115.700 0.362 0.000 2.671 166 S HA 0.693 5.153 4.470 -0.018 0.000 0.277 166 S C 1.148 175.750 174.600 0.003 0.000 1.165 166 S CA 1.006 59.431 58.200 0.375 0.000 0.822 166 S CB 1.172 64.528 63.200 0.261 0.000 1.150 166 S HN 2.290 nan 8.310 nan 0.000 0.479 167 T N -1.277 113.325 114.554 0.079 0.000 3.007 167 T HA -0.001 4.338 4.350 -0.018 0.000 0.270 167 T C 0.977 175.673 174.700 -0.007 0.000 1.107 167 T CA 1.441 63.537 62.100 -0.006 0.000 1.118 167 T CB -1.006 67.947 68.868 0.142 0.000 0.889 167 T HN 0.656 nan 8.240 nan 0.000 0.506 168 N N 1.193 119.896 118.700 0.004 0.000 2.422 168 N HA 0.107 4.837 4.740 -0.018 0.000 0.181 168 N C 0.144 175.619 175.510 -0.058 0.000 1.080 168 N CA -0.050 52.996 53.050 -0.006 0.000 0.893 168 N CB 0.231 38.737 38.487 0.031 0.000 0.973 168 N HN 0.571 nan 8.380 nan 0.000 0.456 169 R N 0.368 120.813 120.500 -0.090 0.000 3.119 169 R HA 0.241 4.570 4.340 -0.018 0.000 0.294 169 R C -1.820 174.411 176.300 -0.114 0.000 1.267 169 R CA -0.398 55.641 56.100 -0.101 0.000 1.078 169 R CB -0.738 29.538 30.300 -0.041 0.000 1.320 169 R HN -0.081 nan 8.270 nan 0.000 0.380 170 I N 3.199 123.645 120.570 -0.206 0.000 2.396 170 I HA 0.403 4.563 4.170 -0.018 0.000 0.289 170 I C 0.919 177.033 176.117 -0.004 0.000 1.056 170 I CA -0.001 61.209 61.300 -0.149 0.000 1.365 170 I CB 1.312 39.141 38.000 -0.285 0.000 1.407 170 I HN 0.839 nan 8.210 nan 0.000 0.509 171 G N 6.635 115.454 108.800 0.031 0.000 2.753 171 G HA2 0.891 4.841 3.960 -0.018 0.000 0.285 171 G HA3 0.891 4.841 3.960 -0.018 0.000 0.285 171 G C -0.738 174.141 174.900 -0.034 0.000 1.344 171 G CA -0.780 44.314 45.100 -0.010 0.000 1.050 171 G HN 0.627 nan 8.290 nan 0.000 0.532 172 M N -0.873 118.630 119.600 -0.160 0.000 2.471 172 M HA 0.664 5.134 4.480 -0.018 0.000 0.284 172 M C -1.485 174.642 176.300 -0.288 0.000 1.203 172 M CA -0.932 54.159 55.300 -0.348 0.000 0.915 172 M CB 2.260 34.539 32.600 -0.534 0.000 1.734 172 M HN 0.622 nan 8.290 nan 0.000 0.485 173 I N -0.230 120.151 120.570 -0.315 0.000 2.646 173 I HA 0.967 5.126 4.170 -0.018 0.000 0.299 173 I C -0.062 175.970 176.117 -0.142 0.000 1.036 173 I CA -0.815 60.368 61.300 -0.196 0.000 1.074 173 I CB 2.148 40.034 38.000 -0.189 0.000 1.258 173 I HN 0.857 nan 8.210 nan 0.000 0.430 174 G N 4.173 112.925 108.800 -0.081 0.000 2.476 174 G HA2 0.340 4.290 3.960 -0.018 0.000 0.269 174 G HA3 0.340 4.290 3.960 -0.018 0.000 0.269 174 G C -1.694 173.229 174.900 0.039 0.000 1.195 174 G CA -0.464 44.596 45.100 -0.066 0.000 0.843 174 G HN 0.796 nan 8.290 nan 0.000 0.545 175 W N 2.197 123.329 121.300 -0.280 0.000 3.097 175 W HA 0.322 4.972 4.660 -0.017 0.000 0.335 175 W C -1.309 174.919 176.519 -0.485 0.000 1.114 175 W CA -0.950 56.200 57.345 -0.325 0.000 1.231 175 W CB 2.093 31.341 29.460 -0.353 0.000 1.388 175 W HN 0.507 nan 8.180 nan 0.000 0.485 176 N N 4.618 122.888 118.700 -0.717 0.000 2.521 176 N HA 0.173 4.902 4.740 -0.018 0.000 0.236 176 N C 0.487 175.808 175.510 -0.316 0.000 1.067 176 N CA -0.104 52.673 53.050 -0.454 0.000 0.939 176 N CB -0.156 38.124 38.487 -0.345 0.000 1.201 176 N HN 0.322 nan 8.380 nan 0.000 0.511 177 F N 2.209 122.215 119.950 0.093 0.000 2.134 177 F HA 0.031 4.548 4.527 -0.016 0.000 0.299 177 F C 2.104 177.920 175.800 0.027 0.000 1.097 177 F CA 0.577 58.670 58.000 0.155 0.000 1.264 177 F CB -0.240 38.840 39.000 0.133 0.000 1.001 177 F HN 0.620 nan 8.300 nan 0.000 0.479 178 G N 1.027 109.923 108.800 0.160 0.000 2.321 178 G HA2 -0.357 3.592 3.960 -0.018 0.000 0.287 178 G HA3 -0.357 3.592 3.960 -0.018 0.000 0.287 178 G C 1.102 176.014 174.900 0.019 0.000 1.018 178 G CA 0.667 45.811 45.100 0.074 0.000 0.855 178 G HN 0.531 nan 8.290 nan 0.000 0.507 179 Q N -0.971 118.753 119.800 -0.126 0.000 2.297 179 Q HA -0.095 4.234 4.340 -0.018 0.000 0.208 179 Q C 1.665 177.545 176.000 -0.200 0.000 0.981 179 Q CA 1.653 57.324 55.803 -0.220 0.000 0.876 179 Q CB -0.356 28.137 28.738 -0.409 0.000 0.921 179 Q HN 0.636 nan 8.270 nan 0.000 0.446 180 F N 1.450 121.451 119.950 0.085 0.000 2.727 180 F HA 0.274 4.790 4.527 -0.019 0.000 0.302 180 F C 0.700 176.579 175.800 0.132 0.000 1.097 180 F CA -0.441 57.593 58.000 0.057 0.000 1.330 180 F CB 0.098 39.037 39.000 -0.102 0.000 1.084 180 F HN -0.118 nan 8.300 nan 0.000 0.578 181 E N 1.173 121.515 120.200 0.235 0.000 2.390 181 E HA -0.007 4.332 4.350 -0.018 0.000 0.261 181 E C 0.122 176.822 176.600 0.166 0.000 1.076 181 E CA -0.308 56.196 56.400 0.173 0.000 0.905 181 E CB 0.455 30.222 29.700 0.112 0.000 0.984 181 E HN 0.069 nan 8.360 nan 0.000 0.427 182 E N 1.259 121.538 120.200 0.131 0.000 2.765 182 E HA -0.174 4.166 4.350 -0.018 0.000 0.256 182 E C -0.023 176.634 176.600 0.095 0.000 0.935 182 E CA 0.875 57.341 56.400 0.109 0.000 0.954 182 E CB -0.023 29.724 29.700 0.078 0.000 0.908 182 E HN 0.501 nan 8.360 nan 0.000 0.500 183 D N 2.320 122.774 120.400 0.090 0.000 2.705 183 D HA -0.237 4.392 4.640 -0.018 0.000 0.187 183 D C 0.907 177.258 176.300 0.084 0.000 1.015 183 D CA 1.330 55.372 54.000 0.070 0.000 1.030 183 D CB -0.851 39.981 40.800 0.054 0.000 1.100 183 D HN 0.430 nan 8.370 nan 0.000 0.439 184 I N 0.304 120.940 120.570 0.111 0.000 2.163 184 I HA -0.198 3.961 4.170 -0.018 0.000 0.243 184 I C 2.647 178.829 176.117 0.109 0.000 1.085 184 I CA 1.102 62.471 61.300 0.113 0.000 1.347 184 I CB -1.188 36.886 38.000 0.123 0.000 1.044 184 I HN 0.265 nan 8.210 nan 0.000 0.408 185 L N 0.678 121.975 121.223 0.123 0.000 2.012 185 L HA -0.218 4.111 4.340 -0.018 0.000 0.210 185 L C 2.815 179.687 176.870 0.004 0.000 1.073 185 L CA 2.263 57.130 54.840 0.046 0.000 0.748 185 L CB -0.985 41.003 42.059 -0.118 0.000 0.891 185 L HN 0.220 nan 8.230 nan 0.000 0.431 186 S N -0.619 115.083 115.700 0.003 0.000 2.365 186 S HA -0.217 4.242 4.470 -0.018 0.000 0.225 186 S C 2.068 176.684 174.600 0.026 0.000 1.039 186 S CA 1.917 60.113 58.200 -0.006 0.000 1.033 186 S CB -0.529 62.669 63.200 -0.004 0.000 0.887 186 S HN 0.512 nan 8.310 nan 0.000 0.447 187 I N 0.811 121.421 120.570 0.066 0.000 2.226 187 I HA -0.194 3.966 4.170 -0.018 0.000 0.245 187 I C 2.530 178.730 176.117 0.140 0.000 1.100 187 I CA 0.927 62.305 61.300 0.130 0.000 1.374 187 I CB -0.530 37.573 38.000 0.172 0.000 1.057 187 I HN 0.427 nan 8.210 nan 0.000 0.413 188 C N 0.567 119.919 119.300 0.088 0.000 2.440 188 C HA -0.104 4.346 4.460 -0.018 0.000 0.278 188 C C 2.717 177.734 174.990 0.045 0.000 1.295 188 C CA 0.543 59.598 59.018 0.061 0.000 1.738 188 C CB -0.942 26.834 27.740 0.060 0.000 1.987 188 C HN 0.457 nan 8.230 nan 0.000 0.492 189 L N 1.449 122.686 121.223 0.025 0.000 2.109 189 L HA -0.105 4.225 4.340 -0.018 0.000 0.207 189 L C 2.756 179.615 176.870 -0.019 0.000 1.086 189 L CA 1.833 56.670 54.840 -0.006 0.000 0.760 189 L CB -0.619 41.417 42.059 -0.038 0.000 0.910 189 L HN 0.471 nan 8.230 nan 0.000 0.437 190 S N -0.043 115.660 115.700 0.006 0.000 2.423 190 S HA -0.142 4.318 4.470 -0.018 0.000 0.231 190 S C 1.891 176.512 174.600 0.036 0.000 1.014 190 S CA 0.722 58.917 58.200 -0.010 0.000 0.965 190 S CB -0.633 62.576 63.200 0.016 0.000 0.785 190 S HN 0.370 nan 8.310 nan 0.000 0.495 191 I N 1.464 122.102 120.570 0.112 0.000 2.264 191 I HA -0.172 3.987 4.170 -0.018 0.000 0.248 191 I C 2.205 178.333 176.117 0.018 0.000 1.111 191 I CA 1.249 62.623 61.300 0.124 0.000 1.382 191 I CB -0.429 37.579 38.000 0.014 0.000 1.060 191 I HN 0.325 nan 8.210 nan 0.000 0.418 192 L N 0.034 121.238 121.223 -0.032 0.000 2.275 192 L HA -0.175 4.155 4.340 -0.018 0.000 0.215 192 L C 1.278 178.016 176.870 -0.220 0.000 1.119 192 L CA 0.930 55.739 54.840 -0.053 0.000 0.790 192 L CB -0.544 41.508 42.059 -0.011 0.000 0.919 192 L HN 0.271 nan 8.230 nan 0.000 0.443 193 D N -0.222 119.919 120.400 -0.432 0.000 2.328 193 D HA 0.021 4.651 4.640 -0.018 0.000 0.221 193 D C 1.536 177.418 176.300 -0.696 0.000 1.072 193 D CA 0.310 53.630 54.000 -1.133 0.000 0.850 193 D CB 0.351 40.643 40.800 -0.846 0.000 0.922 193 D HN 0.217 nan 8.370 nan 0.000 0.516 194 R N 0.234 120.614 120.500 -0.201 0.000 2.509 194 R HA 0.117 4.447 4.340 -0.018 0.000 0.297 194 R C 0.784 177.157 176.300 0.121 0.000 0.951 194 R CA -0.040 56.076 56.100 0.027 0.000 1.103 194 R CB 0.467 30.845 30.300 0.129 0.000 1.283 194 R HN 0.077 nan 8.270 nan 0.000 0.534 195 S N -0.179 115.592 115.700 0.118 0.000 2.608 195 S HA 0.203 4.663 4.470 -0.018 0.000 0.261 195 S C 1.570 176.269 174.600 0.166 0.000 1.314 195 S CA -0.542 57.734 58.200 0.126 0.000 0.992 195 S CB 1.006 64.257 63.200 0.086 0.000 0.935 195 S HN 0.098 nan 8.310 nan 0.000 0.564 196 L N 1.112 122.403 121.223 0.113 0.000 2.131 196 L HA -0.143 4.187 4.340 -0.018 0.000 0.210 196 L C 2.141 179.081 176.870 0.117 0.000 1.092 196 L CA 1.407 56.308 54.840 0.103 0.000 0.759 196 L CB -0.924 41.174 42.059 0.064 0.000 0.903 196 L HN 0.689 nan 8.230 nan 0.000 0.435 197 N N -0.105 118.672 118.700 0.129 0.000 2.142 197 N HA -0.221 4.509 4.740 -0.018 0.000 0.186 197 N C 1.612 177.241 175.510 0.198 0.000 1.023 197 N CA 1.203 54.351 53.050 0.164 0.000 0.852 197 N CB -0.461 38.155 38.487 0.215 0.000 0.998 197 N HN 0.192 nan 8.380 nan 0.000 0.424 198 F N 1.649 121.657 119.950 0.097 0.000 2.113 198 F HA -0.013 4.504 4.527 -0.017 0.000 0.297 198 F C 2.175 178.022 175.800 0.079 0.000 1.103 198 F CA 1.231 59.288 58.000 0.094 0.000 1.248 198 F CB 0.065 39.116 39.000 0.084 0.000 0.999 198 F HN -0.128 nan 8.300 nan 0.000 0.475 199 R N -0.300 120.323 120.500 0.204 0.000 2.120 199 R HA -0.147 4.183 4.340 -0.018 0.000 0.234 199 R C 2.370 178.671 176.300 0.003 0.000 1.123 199 R CA 1.406 57.564 56.100 0.096 0.000 0.975 199 R CB -0.339 30.047 30.300 0.143 0.000 0.866 199 R HN 0.270 nan 8.270 nan 0.000 0.446 200 R N 0.294 120.805 120.500 0.018 0.000 2.062 200 R HA -0.086 4.243 4.340 -0.018 0.000 0.229 200 R C -0.135 176.136 176.300 -0.047 0.000 1.128 200 R CA 1.535 57.635 56.100 -0.001 0.000 0.960 200 R CB 0.332 30.648 30.300 0.028 0.000 0.855 200 R HN -0.034 nan 8.270 nan 0.000 0.432 201 D N -1.581 118.774 120.400 -0.075 0.000 2.445 201 D HA 0.168 4.797 4.640 -0.018 0.000 0.236 201 D C -0.099 176.094 176.300 -0.177 0.000 1.315 201 D CA 0.140 54.069 54.000 -0.118 0.000 0.924 201 D CB 1.254 42.011 40.800 -0.072 0.000 1.447 201 D HN 0.198 nan 8.370 nan 0.000 0.532 202 A N 2.573 125.181 122.820 -0.354 0.000 1.940 202 A HA -0.000 4.309 4.320 -0.018 0.000 0.219 202 A C 2.164 179.666 177.584 -0.138 0.000 1.176 202 A CA 2.083 53.768 52.037 -0.587 0.000 0.631 202 A CB -0.327 18.136 19.000 -0.894 0.000 0.814 202 A HN 0.582 nan 8.150 nan 0.000 0.446 203 A N -1.215 121.579 122.820 -0.043 0.000 1.877 203 A HA -0.110 4.199 4.320 -0.018 0.000 0.216 203 A C 2.316 179.895 177.584 -0.008 0.000 1.186 203 A CA 2.338 54.387 52.037 0.020 0.000 0.620 203 A CB -1.239 17.704 19.000 -0.095 0.000 0.822 203 A HN 0.414 nan 8.150 nan 0.000 0.443 204 T N -0.680 113.848 114.554 -0.045 0.000 2.904 204 T HA -0.073 4.266 4.350 -0.018 0.000 0.267 204 T C 1.600 176.266 174.700 -0.056 0.000 1.059 204 T CA 1.460 63.529 62.100 -0.051 0.000 1.137 204 T CB -0.325 68.508 68.868 -0.058 0.000 0.879 204 T HN 0.698 nan 8.240 nan 0.000 0.467 205 D N 0.957 121.369 120.400 0.021 0.000 2.078 205 D HA -0.103 4.526 4.640 -0.018 0.000 0.193 205 D C 2.075 178.456 176.300 0.134 0.000 0.990 205 D CA 1.084 55.172 54.000 0.146 0.000 0.827 205 D CB -0.279 40.711 40.800 0.317 0.000 0.975 205 D HN 0.111 nan 8.370 nan 0.000 0.451 206 V N 0.801 120.813 119.914 0.165 0.000 2.392 206 V HA -0.249 3.860 4.120 -0.018 0.000 0.249 206 V C 2.525 178.649 176.094 0.049 0.000 1.059 206 V CA 1.844 64.222 62.300 0.129 0.000 1.051 206 V CB -1.009 30.886 31.823 0.119 0.000 0.658 206 V HN 0.398 nan 8.190 nan 0.000 0.455 207 A N -0.566 122.262 122.820 0.014 0.000 1.969 207 A HA -0.162 4.147 4.320 -0.018 0.000 0.218 207 A C 2.353 179.907 177.584 -0.051 0.000 1.169 207 A CA 1.972 54.007 52.037 -0.003 0.000 0.635 207 A CB -0.474 18.518 19.000 -0.013 0.000 0.810 207 A HN 0.521 nan 8.150 nan 0.000 0.445 208 S N -0.598 114.999 115.700 -0.171 0.000 2.562 208 S HA 0.019 4.478 4.470 -0.018 0.000 0.221 208 S C 1.440 175.962 174.600 -0.131 0.000 0.975 208 S CA 0.130 58.108 58.200 -0.370 0.000 0.918 208 S CB -0.152 62.368 63.200 -1.132 0.000 0.772 208 S HN 0.581 nan 8.310 nan 0.000 0.531 209 R N 2.473 123.006 120.500 0.054 0.000 2.343 209 R HA 0.067 4.397 4.340 -0.018 0.000 0.202 209 R C 1.191 177.576 176.300 0.141 0.000 1.023 209 R CA 0.455 56.663 56.100 0.180 0.000 1.084 209 R CB -0.270 30.109 30.300 0.131 0.000 0.956 209 R HN 0.425 nan 8.270 nan 0.000 0.478 210 N N -0.372 118.407 118.700 0.132 0.000 2.280 210 N HA -0.074 4.655 4.740 -0.018 0.000 0.192 210 N C -0.403 175.276 175.510 0.282 0.000 1.109 210 N CA 0.210 53.356 53.050 0.159 0.000 0.855 210 N CB 0.372 38.930 38.487 0.119 0.000 0.974 210 N HN -0.051 nan 8.380 nan 0.000 0.482 211 D N 1.665 122.216 120.400 0.251 0.000 2.392 211 D HA 0.277 4.907 4.640 -0.018 0.000 0.228 211 D C -1.653 174.704 176.300 0.096 0.000 1.074 211 D CA -2.334 51.763 54.000 0.162 0.000 0.838 211 D CB 2.122 42.977 40.800 0.092 0.000 1.067 211 D HN -0.065 nan 8.370 nan 0.000 0.511 212 P HA -0.153 nan 4.420 nan 0.000 0.220 212 P C 0.854 177.648 177.300 -0.844 0.000 1.148 212 P CA 0.914 63.552 63.100 -0.771 0.000 0.803 212 P CB 0.577 31.511 31.700 -1.277 0.000 0.782 213 K N -1.104 118.885 120.400 -0.685 0.000 2.057 213 K HA -0.172 4.138 4.320 -0.018 0.000 0.206 213 K C 2.409 178.920 176.600 -0.148 0.000 1.050 213 K CA 1.288 57.358 56.287 -0.361 0.000 0.935 213 K CB -0.654 31.817 32.500 -0.047 0.000 0.715 213 K HN 0.125 nan 8.250 nan 0.000 0.439 214 Y N 1.627 121.830 120.300 -0.162 0.000 2.133 214 Y HA -0.222 4.317 4.550 -0.018 0.000 0.287 214 Y C 2.080 177.939 175.900 -0.068 0.000 1.134 214 Y CA 1.087 59.130 58.100 -0.094 0.000 1.133 214 Y CB -0.358 38.091 38.460 -0.019 0.000 0.987 214 Y HN -0.270 nan 8.280 nan 0.000 0.502 215 V N 0.301 120.242 119.914 0.045 0.000 2.332 215 V HA -0.314 3.796 4.120 -0.018 0.000 0.248 215 V C 2.587 178.631 176.094 -0.084 0.000 1.055 215 V CA 1.996 64.306 62.300 0.017 0.000 1.038 215 V CB -1.650 30.312 31.823 0.231 0.000 0.651 215 V HN 0.651 nan 8.190 nan 0.000 0.450 216 G N -0.488 108.245 108.800 -0.112 0.000 2.421 216 G HA2 -0.317 3.632 3.960 -0.018 0.000 0.216 216 G HA3 -0.317 3.632 3.960 -0.018 0.000 0.216 216 G C 1.714 176.557 174.900 -0.095 0.000 1.171 216 G CA 1.013 46.082 45.100 -0.052 0.000 0.775 216 G HN 0.445 nan 8.290 nan 0.000 0.543 217 R N -0.223 120.160 120.500 -0.194 0.000 2.081 217 R HA -0.026 4.303 4.340 -0.018 0.000 0.235 217 R C 2.662 178.811 176.300 -0.251 0.000 1.131 217 R CA 1.344 57.287 56.100 -0.262 0.000 0.960 217 R CB -0.379 29.661 30.300 -0.433 0.000 0.856 217 R HN 0.250 nan 8.270 nan 0.000 0.436 218 V N 1.328 121.047 119.914 -0.325 0.000 2.255 218 V HA -0.274 3.835 4.120 -0.018 0.000 0.247 218 V C 2.338 178.344 176.094 -0.145 0.000 1.051 218 V CA 1.872 64.007 62.300 -0.274 0.000 1.018 218 V CB -0.415 31.202 31.823 -0.344 0.000 0.641 218 V HN 0.361 nan 8.190 nan 0.000 0.445 219 L N 0.921 122.078 121.223 -0.110 0.000 2.127 219 L HA -0.168 4.162 4.340 -0.018 0.000 0.211 219 L C 2.629 179.467 176.870 -0.054 0.000 1.089 219 L CA 1.770 56.572 54.840 -0.065 0.000 0.757 219 L CB -0.714 41.328 42.059 -0.029 0.000 0.899 219 L HN 0.578 nan 8.230 nan 0.000 0.434 220 S N -0.508 115.158 115.700 -0.057 0.000 2.474 220 S HA -0.064 4.395 4.470 -0.018 0.000 0.235 220 S C 1.881 176.453 174.600 -0.047 0.000 0.997 220 S CA 0.735 58.911 58.200 -0.041 0.000 0.949 220 S CB -0.061 63.111 63.200 -0.046 0.000 0.766 220 S HN 0.369 nan 8.310 nan 0.000 0.517 221 A N 1.539 124.325 122.820 -0.057 0.000 1.920 221 A HA 0.429 4.738 4.320 -0.018 0.000 0.209 221 A C 2.159 179.731 177.584 -0.020 0.000 1.229 221 A CA 0.594 52.614 52.037 -0.030 0.000 0.671 221 A CB -0.392 18.585 19.000 -0.038 0.000 0.886 221 A HN 0.451 nan 8.150 nan 0.000 0.461 222 M N 0.309 119.883 119.600 -0.044 0.000 2.476 222 M HA 0.048 4.518 4.480 -0.018 0.000 0.262 222 M C 1.504 177.726 176.300 -0.130 0.000 1.079 222 M CA 0.755 56.017 55.300 -0.063 0.000 1.104 222 M CB -0.808 31.750 32.600 -0.070 0.000 1.409 222 M HN 0.281 nan 8.290 nan 0.000 0.467 223 I N 0.783 121.301 120.570 -0.088 0.000 2.676 223 I HA -0.156 4.003 4.170 -0.018 0.000 0.259 223 I C 0.514 176.660 176.117 0.047 0.000 1.194 223 I CA 0.524 61.779 61.300 -0.075 0.000 1.473 223 I CB -1.410 36.600 38.000 0.016 0.000 1.096 223 I HN 0.335 nan 8.210 nan 0.000 0.443 224 N N -0.444 118.299 118.700 0.071 0.000 2.443 224 N HA 0.086 4.815 4.740 -0.018 0.000 0.295 224 N C 0.806 176.369 175.510 0.088 0.000 1.076 224 N CA -0.114 53.035 53.050 0.166 0.000 0.919 224 N CB 0.935 39.387 38.487 -0.058 0.000 1.176 224 N HN -0.055 nan 8.380 nan 0.000 0.487 225 S N 0.705 116.480 115.700 0.125 0.000 2.474 225 S HA -0.089 4.370 4.470 -0.018 0.000 0.235 225 S C 0.335 175.009 174.600 0.123 0.000 0.997 225 S CA -0.234 58.038 58.200 0.120 0.000 0.949 225 S CB -0.775 62.508 63.200 0.140 0.000 0.766 225 S HN 0.632 nan 8.310 nan 0.000 0.517 226 N N 2.852 121.616 118.700 0.106 0.000 2.356 226 N HA -0.027 4.702 4.740 -0.018 0.000 0.252 226 N C -0.144 175.476 175.510 0.183 0.000 1.241 226 N CA 1.124 54.263 53.050 0.149 0.000 0.861 226 N CB 0.218 38.782 38.487 0.128 0.000 1.075 226 N HN 0.336 nan 8.380 nan 0.000 0.461 227 D N 0.241 120.748 120.400 0.179 0.000 2.531 227 D HA -0.232 4.397 4.640 -0.018 0.000 0.176 227 D C 0.097 176.461 176.300 0.107 0.000 1.217 227 D CA 2.059 56.139 54.000 0.133 0.000 1.125 227 D CB -0.845 40.027 40.800 0.121 0.000 1.148 227 D HN 0.820 nan 8.370 nan 0.000 0.430 228 D N -0.884 119.585 120.400 0.115 0.000 2.602 228 D HA 0.181 4.811 4.640 -0.018 0.000 0.265 228 D C -0.239 176.147 176.300 0.144 0.000 1.454 228 D CA 0.004 54.072 54.000 0.114 0.000 0.795 228 D CB -0.958 39.901 40.800 0.100 0.000 1.140 228 D HN 0.363 nan 8.370 nan 0.000 0.486 229 N N -0.109 118.684 118.700 0.155 0.000 2.780 229 N HA -0.112 4.618 4.740 -0.018 0.000 0.248 229 N C 0.634 176.330 175.510 0.309 0.000 1.102 229 N CA 0.201 53.375 53.050 0.205 0.000 0.697 229 N CB -1.017 37.576 38.487 0.177 0.000 1.028 229 N HN 0.483 nan 8.380 nan 0.000 0.554 230 G N -0.361 108.558 108.800 0.198 0.000 2.570 230 G HA2 0.343 4.292 3.960 -0.018 0.000 0.276 230 G HA3 0.343 4.292 3.960 -0.018 0.000 0.276 230 G C 1.236 176.114 174.900 -0.038 0.000 1.346 230 G CA -0.074 45.071 45.100 0.075 0.000 1.034 230 G HN 0.046 nan 8.290 nan 0.000 0.512 231 V N -0.240 119.373 119.914 -0.501 0.000 2.229 231 V HA 0.005 4.114 4.120 -0.018 0.000 0.243 231 V C 1.295 177.237 176.094 -0.254 0.000 1.042 231 V CA 1.220 63.057 62.300 -0.772 0.000 1.000 231 V CB -0.881 30.425 31.823 -0.860 0.000 0.637 231 V HN 0.304 nan 8.190 nan 0.000 0.446 232 L N 0.390 121.528 121.223 -0.141 0.000 2.309 232 L HA 0.660 4.990 4.340 -0.018 0.000 0.282 232 L C -0.046 176.888 176.870 0.107 0.000 1.036 232 L CA -0.362 54.410 54.840 -0.113 0.000 0.806 232 L CB 1.321 43.107 42.059 -0.456 0.000 1.220 232 L HN 0.211 nan 8.230 nan 0.000 0.429 233 A N 2.598 125.461 122.820 0.071 0.000 2.260 233 A HA 0.640 4.950 4.320 -0.018 0.000 0.312 233 A C 0.397 178.127 177.584 0.243 0.000 1.321 233 A CA -0.321 51.837 52.037 0.202 0.000 0.928 233 A CB 0.418 19.542 19.000 0.207 0.000 1.158 233 A HN 0.766 nan 8.150 nan 0.000 0.542 234 G N 1.077 110.073 108.800 0.328 0.000 2.503 234 G HA2 0.436 4.385 3.960 -0.018 0.000 0.257 234 G HA3 0.436 4.385 3.960 -0.018 0.000 0.257 234 G C -0.226 174.674 174.900 -0.000 0.000 1.214 234 G CA -0.453 44.722 45.100 0.125 0.000 0.839 234 G HN 0.901 nan 8.290 nan 0.000 0.559 235 N N -0.115 118.353 118.700 -0.386 0.000 2.578 235 N HA 0.166 4.896 4.740 -0.018 0.000 0.282 235 N C -0.829 174.571 175.510 -0.183 0.000 1.119 235 N CA -0.763 52.190 53.050 -0.161 0.000 0.948 235 N CB 1.184 39.472 38.487 -0.333 0.000 1.546 235 N HN 0.591 nan 8.380 nan 0.000 0.525 236 W N 2.959 124.309 121.300 0.083 0.000 1.894 236 W HA 0.159 4.808 4.660 -0.017 0.000 0.342 236 W C 1.117 177.635 176.519 -0.002 0.000 0.861 236 W CA -0.310 57.064 57.345 0.048 0.000 2.584 236 W CB 0.696 30.071 29.460 -0.141 0.000 1.373 236 W HN 0.615 nan 8.180 nan 0.000 0.599 237 S N -1.187 114.582 115.700 0.115 0.000 2.503 237 S HA 0.266 4.726 4.470 -0.018 0.000 0.217 237 S C 1.729 176.251 174.600 -0.130 0.000 0.999 237 S CA 0.928 59.108 58.200 -0.035 0.000 0.914 237 S CB 0.505 63.635 63.200 -0.117 0.000 0.782 237 S HN 0.373 nan 8.310 nan 0.000 0.520 238 G N 0.188 108.842 108.800 -0.245 0.000 2.217 238 G HA2 -0.198 3.751 3.960 -0.018 0.000 0.246 238 G HA3 -0.198 3.751 3.960 -0.018 0.000 0.246 238 G C 0.175 174.661 174.900 -0.690 0.000 0.990 238 G CA 0.259 45.212 45.100 -0.245 0.000 0.627 238 G HN 0.685 nan 8.290 nan 0.000 0.522 239 T N 0.399 114.391 114.554 -0.938 0.000 2.809 239 T HA 0.584 4.923 4.350 -0.018 0.000 0.284 239 T C -0.481 173.641 174.700 -0.963 0.000 0.992 239 T CA -0.274 61.389 62.100 -0.727 0.000 0.957 239 T CB 1.047 69.724 68.868 -0.318 0.000 0.942 239 T HN 0.255 nan 8.240 nan 0.000 0.439 240 Y N 1.084 121.365 120.300 -0.033 0.000 2.699 240 Y HA 0.240 4.780 4.550 -0.017 0.000 0.282 240 Y C 1.272 177.284 175.900 0.187 0.000 1.058 240 Y CA -0.996 57.109 58.100 0.009 0.000 1.194 240 Y CB -0.068 38.441 38.460 0.082 0.000 1.193 240 Y HN 0.476 nan 8.280 nan 0.000 0.562 241 T N 0.629 115.273 114.554 0.150 0.000 2.946 241 T HA 0.250 4.590 4.350 -0.018 0.000 0.311 241 T C 1.333 176.183 174.700 0.250 0.000 1.063 241 T CA 1.352 63.541 62.100 0.147 0.000 1.139 241 T CB 0.543 69.451 68.868 0.066 0.000 0.994 241 T HN 0.845 nan 8.240 nan 0.000 0.547 242 G N 1.038 109.933 108.800 0.160 0.000 2.143 242 G HA2 0.062 4.011 3.960 -0.018 0.000 0.249 242 G HA3 0.062 4.011 3.960 -0.018 0.000 0.249 242 G C 0.345 175.265 174.900 0.033 0.000 0.981 242 G CA 0.094 45.263 45.100 0.115 0.000 0.665 242 G HN 1.310 nan 8.290 nan 0.000 0.528 243 G N -1.496 107.353 108.800 0.082 0.000 2.570 243 G HA2 0.657 4.606 3.960 -0.018 0.000 0.310 243 G HA3 0.657 4.606 3.960 -0.018 0.000 0.310 243 G C -0.918 173.992 174.900 0.016 0.000 1.266 243 G CA -0.700 44.344 45.100 -0.093 0.000 0.825 243 G HN 0.454 nan 8.290 nan 0.000 0.483 244 R N 0.310 120.769 120.500 -0.068 0.000 2.604 244 R HA 0.365 4.694 4.340 -0.018 0.000 0.287 244 R C -0.976 175.224 176.300 -0.167 0.000 0.970 244 R CA -0.809 55.151 56.100 -0.233 0.000 0.946 244 R CB 1.780 31.638 30.300 -0.737 0.000 1.127 244 R HN 0.529 nan 8.270 nan 0.000 0.473 245 D N 3.059 123.335 120.400 -0.207 0.000 2.450 245 D HA -0.005 4.624 4.640 -0.018 0.000 0.247 245 D C -1.572 174.500 176.300 -0.381 0.000 1.162 245 D CA -1.603 52.191 54.000 -0.343 0.000 0.879 245 D CB 1.291 42.018 40.800 -0.121 0.000 1.163 245 D HN 0.172 nan 8.370 nan 0.000 0.472 246 P HA -0.148 nan 4.420 nan 0.000 0.218 246 P C 0.874 178.315 177.300 0.234 0.000 1.146 246 P CA 1.290 64.319 63.100 -0.118 0.000 0.820 246 P CB 0.172 31.636 31.700 -0.394 0.000 0.778 247 R N -0.889 119.751 120.500 0.233 0.000 2.299 247 R HA 0.063 4.393 4.340 -0.018 0.000 0.197 247 R C 2.099 178.513 176.300 0.190 0.000 0.971 247 R CA 1.121 57.461 56.100 0.400 0.000 1.030 247 R CB -0.500 29.962 30.300 0.270 0.000 0.932 247 R HN 0.339 nan 8.270 nan 0.000 0.477 248 S N -0.187 115.502 115.700 -0.018 0.000 2.446 248 S HA -0.063 4.396 4.470 -0.018 0.000 0.225 248 S C 0.524 175.065 174.600 -0.100 0.000 1.016 248 S CA -0.365 57.757 58.200 -0.130 0.000 0.943 248 S CB -0.288 62.733 63.200 -0.298 0.000 0.786 248 S HN 0.247 nan 8.310 nan 0.000 0.508 249 W N 2.338 123.678 121.300 0.067 0.000 2.209 249 W HA 0.251 4.899 4.660 -0.019 0.000 0.344 249 W C 0.749 177.209 176.519 -0.098 0.000 1.285 249 W CA -0.333 57.007 57.345 -0.008 0.000 1.267 249 W CB 0.337 29.857 29.460 0.100 0.000 1.167 249 W HN 0.171 nan 8.180 nan 0.000 0.574 250 D N 0.612 120.941 120.400 -0.120 0.000 2.500 250 D HA 0.239 4.868 4.640 -0.018 0.000 0.218 250 D C 0.681 176.339 176.300 -1.069 0.000 1.140 250 D CA 0.326 54.095 54.000 -0.384 0.000 0.830 250 D CB 0.969 41.635 40.800 -0.223 0.000 1.055 250 D HN 0.470 nan 8.370 nan 0.000 0.512 251 G N -0.692 107.243 108.800 -1.442 0.000 2.489 251 G HA2 0.251 4.201 3.960 -0.018 0.000 0.305 251 G HA3 0.251 4.201 3.960 -0.018 0.000 0.305 251 G C -0.026 174.411 174.900 -0.771 0.000 1.311 251 G CA -0.207 43.837 45.100 -1.759 0.000 0.813 251 G HN -0.138 nan 8.290 nan 0.000 0.480 252 S N -0.850 114.739 115.700 -0.184 0.000 2.503 252 S HA 0.068 4.528 4.470 -0.018 0.000 0.217 252 S C 2.398 176.990 174.600 -0.014 0.000 0.999 252 S CA 0.707 58.974 58.200 0.111 0.000 0.914 252 S CB 0.316 63.709 63.200 0.322 0.000 0.782 252 S HN 0.415 nan 8.310 nan 0.000 0.520 253 V N 2.371 122.256 119.914 -0.048 0.000 2.220 253 V HA -0.240 3.869 4.120 -0.018 0.000 0.246 253 V C 2.529 178.615 176.094 -0.013 0.000 1.049 253 V CA 2.226 64.517 62.300 -0.015 0.000 1.003 253 V CB -0.624 31.187 31.823 -0.020 0.000 0.634 253 V HN 0.534 nan 8.190 nan 0.000 0.444 254 E N -0.170 120.019 120.200 -0.018 0.000 2.097 254 E HA -0.257 4.082 4.350 -0.018 0.000 0.196 254 E C 2.147 178.747 176.600 -0.001 0.000 1.000 254 E CA 1.990 58.416 56.400 0.043 0.000 0.804 254 E CB -0.218 29.570 29.700 0.148 0.000 0.740 254 E HN 0.618 nan 8.360 nan 0.000 0.454 255 I N 0.546 121.011 120.570 -0.176 0.000 2.142 255 I HA -0.314 3.846 4.170 -0.018 0.000 0.240 255 I C 2.455 178.512 176.117 -0.099 0.000 1.078 255 I CA 1.063 62.162 61.300 -0.334 0.000 1.343 255 I CB -0.249 37.414 38.000 -0.562 0.000 1.046 255 I HN 0.226 nan 8.210 nan 0.000 0.405 256 L N 0.326 121.528 121.223 -0.034 0.000 2.046 256 L HA -0.208 4.121 4.340 -0.018 0.000 0.208 256 L C 2.559 179.537 176.870 0.180 0.000 1.077 256 L CA 1.458 56.350 54.840 0.086 0.000 0.747 256 L CB -0.568 41.532 42.059 0.069 0.000 0.896 256 L HN 0.177 nan 8.230 nan 0.000 0.432 257 K N -0.247 120.215 120.400 0.103 0.000 2.097 257 K HA -0.122 4.188 4.320 -0.018 0.000 0.205 257 K C 1.865 178.518 176.600 0.089 0.000 1.050 257 K CA 1.130 57.472 56.287 0.090 0.000 0.938 257 K CB -0.200 32.336 32.500 0.060 0.000 0.718 257 K HN 0.264 nan 8.250 nan 0.000 0.442 258 N N 0.404 119.162 118.700 0.097 0.000 2.142 258 N HA -0.165 4.564 4.740 -0.018 0.000 0.186 258 N C 1.289 176.873 175.510 0.124 0.000 1.023 258 N CA 0.849 53.956 53.050 0.096 0.000 0.852 258 N CB -0.386 38.168 38.487 0.112 0.000 0.998 258 N HN 0.287 nan 8.380 nan 0.000 0.424 259 W N 2.651 123.926 121.300 -0.041 0.000 2.317 259 W HA -0.180 4.469 4.660 -0.018 0.000 0.318 259 W C 2.358 178.863 176.519 -0.024 0.000 1.227 259 W CA 1.864 59.186 57.345 -0.038 0.000 1.269 259 W CB -0.379 29.052 29.460 -0.049 0.000 1.155 259 W HN 0.009 nan 8.180 nan 0.000 0.484 260 K N 0.694 121.071 120.400 -0.037 0.000 2.057 260 K HA -0.240 4.069 4.320 -0.018 0.000 0.206 260 K C 2.258 178.755 176.600 -0.173 0.000 1.050 260 K CA 1.844 57.990 56.287 -0.236 0.000 0.935 260 K CB -0.547 31.912 32.500 -0.068 0.000 0.715 260 K HN 0.117 nan 8.250 nan 0.000 0.439 261 K N 0.661 121.019 120.400 -0.070 0.000 2.280 261 K HA -0.074 4.235 4.320 -0.018 0.000 0.202 261 K C 1.210 177.770 176.600 -0.067 0.000 1.047 261 K CA 1.577 57.833 56.287 -0.052 0.000 0.942 261 K CB -0.003 32.491 32.500 -0.010 0.000 0.739 261 K HN 0.241 nan 8.250 nan 0.000 0.457 262 S N -0.876 114.773 115.700 -0.084 0.000 2.614 262 S HA 0.206 4.665 4.470 -0.018 0.000 0.230 262 S C 0.781 175.305 174.600 -0.127 0.000 0.952 262 S CA 0.002 58.156 58.200 -0.076 0.000 0.949 262 S CB 0.429 63.609 63.200 -0.034 0.000 0.786 262 S HN 0.429 nan 8.310 nan 0.000 0.478 263 G N 1.926 110.615 108.800 -0.186 0.000 2.246 263 G HA2 -0.250 3.699 3.960 -0.018 0.000 0.273 263 G HA3 -0.250 3.699 3.960 -0.018 0.000 0.273 263 G C 0.395 175.118 174.900 -0.295 0.000 1.055 263 G CA -0.027 44.946 45.100 -0.211 0.000 0.851 263 G HN 1.205 nan 8.290 nan 0.000 0.500 264 L N -2.325 118.580 121.223 -0.531 0.000 4.089 264 L HA -0.199 4.130 4.340 -0.018 0.000 0.408 264 L C 0.941 177.686 176.870 -0.210 0.000 1.184 264 L CA 0.671 55.049 54.840 -0.770 0.000 0.947 264 L CB -2.336 39.353 42.059 -0.616 0.000 2.066 264 L HN 0.472 nan 8.230 nan 0.000 0.851 265 S N -0.482 115.165 115.700 -0.088 0.000 2.601 265 S HA 0.485 4.945 4.470 -0.018 0.000 0.271 265 S C -1.905 172.807 174.600 0.188 0.000 1.305 265 S CA -0.897 57.337 58.200 0.055 0.000 1.022 265 S CB 1.223 64.436 63.200 0.021 0.000 0.940 265 S HN 0.026 nan 8.310 nan 0.000 0.525 266 P HA 0.113 nan 4.420 nan 0.000 0.268 266 P C -1.099 176.258 177.300 0.095 0.000 1.204 266 P CA -0.215 62.985 63.100 0.167 0.000 0.768 266 P CB 0.299 32.072 31.700 0.121 0.000 0.842 267 V N 5.501 125.455 119.914 0.066 0.000 2.432 267 V HA 0.236 4.346 4.120 -0.018 0.000 0.271 267 V C 0.786 176.840 176.094 -0.066 0.000 1.046 267 V CA -0.151 62.153 62.300 0.006 0.000 0.945 267 V CB 0.292 32.073 31.823 -0.070 0.000 0.992 267 V HN 0.445 nan 8.190 nan 0.000 0.471 268 R N 4.607 125.018 120.500 -0.148 0.000 2.338 268 R HA 0.673 5.003 4.340 -0.018 0.000 0.317 268 R C -1.492 174.711 176.300 -0.161 0.000 0.968 268 R CA -0.427 55.340 56.100 -0.554 0.000 0.849 268 R CB 1.336 30.809 30.300 -1.378 0.000 1.128 268 R HN 0.640 nan 8.270 nan 0.000 0.448 269 Y N -0.299 120.136 120.300 0.226 0.000 2.638 269 Y HA 0.673 5.212 4.550 -0.018 0.000 0.339 269 Y C 0.632 176.495 175.900 -0.063 0.000 1.084 269 Y CA -0.966 57.157 58.100 0.040 0.000 1.068 269 Y CB 2.467 40.922 38.460 -0.009 0.000 1.294 269 Y HN 0.682 nan 8.280 nan 0.000 0.480 270 G N 0.070 108.747 108.800 -0.205 0.000 2.630 270 G HA2 0.717 4.666 3.960 -0.018 0.000 0.296 270 G HA3 0.717 4.666 3.960 -0.018 0.000 0.296 270 G C -1.679 172.731 174.900 -0.816 0.000 1.285 270 G CA -0.668 44.050 45.100 -0.637 0.000 0.958 270 G HN 0.477 nan 8.290 nan 0.000 0.479 271 Q N -1.530 117.718 119.800 -0.920 0.000 2.683 271 Q HA 0.271 4.600 4.340 -0.018 0.000 0.302 271 Q C 1.664 177.619 176.000 -0.076 0.000 1.042 271 Q CA -0.549 54.847 55.803 -0.679 0.000 0.773 271 Q CB 2.119 30.361 28.738 -0.827 0.000 1.508 271 Q HN 0.824 nan 8.270 nan 0.000 0.459 272 C N -0.627 119.087 119.300 0.691 0.000 2.385 272 C HA -0.164 4.285 4.460 -0.018 0.000 0.275 272 C C 2.099 177.290 174.990 0.334 0.000 1.207 272 C CA 1.504 60.975 59.018 0.754 0.000 1.760 272 C CB -1.674 26.708 27.740 1.070 0.000 2.051 272 C HN 1.004 nan 8.230 nan 0.000 0.467 273 W N 1.945 123.371 121.300 0.210 0.000 2.425 273 W HA 0.160 4.809 4.660 -0.017 0.000 0.277 273 W C 1.748 178.055 176.519 -0.354 0.000 1.231 273 W CA 1.145 58.444 57.345 -0.076 0.000 1.248 273 W CB -1.071 28.323 29.460 -0.109 0.000 1.117 273 W HN 0.208 nan 8.180 nan 0.000 0.568 274 V N 0.908 120.270 119.914 -0.920 0.000 2.379 274 V HA -0.237 3.873 4.120 -0.018 0.000 0.245 274 V C 2.177 177.947 176.094 -0.539 0.000 1.044 274 V CA 1.583 63.390 62.300 -0.822 0.000 1.036 274 V CB -1.124 30.203 31.823 -0.826 0.000 0.664 274 V HN 0.084 nan 8.190 nan 0.000 0.453 275 F N 1.203 120.980 119.950 -0.287 0.000 2.102 275 F HA -0.092 4.425 4.527 -0.017 0.000 0.298 275 F C 2.510 178.236 175.800 -0.123 0.000 1.105 275 F CA 1.508 59.418 58.000 -0.151 0.000 1.239 275 F CB -1.030 37.949 39.000 -0.034 0.000 0.991 275 F HN 0.082 nan 8.300 nan 0.000 0.474 276 A N 0.187 123.054 122.820 0.079 0.000 1.902 276 A HA -0.049 4.260 4.320 -0.018 0.000 0.217 276 A C 2.561 180.100 177.584 -0.075 0.000 1.181 276 A CA 1.772 53.822 52.037 0.021 0.000 0.623 276 A CB -1.602 17.413 19.000 0.026 0.000 0.818 276 A HN 0.404 nan 8.150 nan 0.000 0.443 277 G N -1.180 107.434 108.800 -0.311 0.000 2.418 277 G HA2 -0.135 3.814 3.960 -0.018 0.000 0.217 277 G HA3 -0.135 3.814 3.960 -0.018 0.000 0.217 277 G C 1.559 176.537 174.900 0.131 0.000 1.158 277 G CA 1.638 46.512 45.100 -0.375 0.000 0.771 277 G HN 0.435 nan 8.290 nan 0.000 0.545 278 T N 0.995 115.585 114.554 0.060 0.000 2.821 278 T HA -0.082 4.257 4.350 -0.018 0.000 0.267 278 T C 2.216 176.946 174.700 0.051 0.000 1.046 278 T CA 1.087 63.249 62.100 0.104 0.000 1.139 278 T CB -0.171 68.678 68.868 -0.031 0.000 0.871 278 T HN 0.138 nan 8.240 nan 0.000 0.454 279 L N 1.943 123.183 121.223 0.028 0.000 2.056 279 L HA 0.054 4.383 4.340 -0.018 0.000 0.207 279 L C 2.047 178.919 176.870 0.005 0.000 1.078 279 L CA 1.639 56.492 54.840 0.022 0.000 0.749 279 L CB -0.923 41.163 42.059 0.045 0.000 0.901 279 L HN 0.219 nan 8.230 nan 0.000 0.433 280 N N -1.386 117.296 118.700 -0.029 0.000 2.149 280 N HA -0.203 4.527 4.740 -0.018 0.000 0.188 280 N C 1.514 176.909 175.510 -0.192 0.000 1.019 280 N CA 1.852 54.803 53.050 -0.165 0.000 0.857 280 N CB 0.106 38.382 38.487 -0.351 0.000 0.997 280 N HN 0.448 nan 8.380 nan 0.000 0.426 281 T N 0.714 115.241 114.554 -0.045 0.000 2.708 281 T HA -0.079 4.260 4.350 -0.018 0.000 0.266 281 T C 1.937 176.648 174.700 0.019 0.000 1.037 281 T CA 1.341 63.456 62.100 0.025 0.000 1.146 281 T CB -0.343 68.628 68.868 0.172 0.000 0.865 281 T HN 0.394 nan 8.240 nan 0.000 0.435 282 A N 1.229 124.067 122.820 0.030 0.000 1.877 282 A HA -0.007 4.302 4.320 -0.018 0.000 0.216 282 A C 2.328 179.954 177.584 0.071 0.000 1.186 282 A CA 1.276 53.340 52.037 0.045 0.000 0.620 282 A CB -0.941 18.071 19.000 0.021 0.000 0.822 282 A HN 0.467 nan 8.150 nan 0.000 0.443 283 L N -1.110 120.146 121.223 0.056 0.000 2.012 283 L HA -0.240 4.090 4.340 -0.018 0.000 0.210 283 L C 2.935 179.873 176.870 0.114 0.000 1.073 283 L CA 1.798 56.693 54.840 0.091 0.000 0.748 283 L CB -0.503 41.604 42.059 0.080 0.000 0.891 283 L HN 0.370 nan 8.230 nan 0.000 0.431 284 R N -0.272 120.257 120.500 0.049 0.000 2.092 284 R HA -0.125 4.205 4.340 -0.018 0.000 0.231 284 R C 2.644 179.032 176.300 0.147 0.000 1.119 284 R CA 1.563 57.702 56.100 0.066 0.000 0.970 284 R CB -0.372 29.892 30.300 -0.060 0.000 0.864 284 R HN 0.503 nan 8.270 nan 0.000 0.440 285 S N 1.156 116.938 115.700 0.138 0.000 2.368 285 S HA -0.098 4.362 4.470 -0.018 0.000 0.225 285 S C 1.982 176.780 174.600 0.330 0.000 1.030 285 S CA 0.970 59.343 58.200 0.287 0.000 0.999 285 S CB -0.434 62.897 63.200 0.218 0.000 0.844 285 S HN 0.243 nan 8.310 nan 0.000 0.459 286 L N 1.002 122.378 121.223 0.255 0.000 2.478 286 L HA 0.239 4.569 4.340 -0.018 0.000 0.223 286 L C 1.927 179.052 176.870 0.424 0.000 1.140 286 L CA 0.544 55.556 54.840 0.287 0.000 0.842 286 L CB -0.841 41.395 42.059 0.296 0.000 0.953 286 L HN 0.692 nan 8.230 nan 0.000 0.452 287 G N 0.590 109.635 108.800 0.408 0.000 2.148 287 G HA2 -0.222 3.728 3.960 -0.018 0.000 0.203 287 G HA3 -0.222 3.728 3.960 -0.018 0.000 0.203 287 G C 0.074 175.189 174.900 0.357 0.000 0.993 287 G CA -0.538 44.832 45.100 0.450 0.000 0.661 287 G HN 0.232 nan 8.290 nan 0.000 0.518 288 I N 2.056 122.778 120.570 0.253 0.000 2.297 288 I HA 0.274 4.433 4.170 -0.018 0.000 0.291 288 I C -2.041 174.178 176.117 0.170 0.000 1.033 288 I CA -2.351 59.035 61.300 0.143 0.000 1.253 288 I CB 1.522 39.567 38.000 0.075 0.000 1.396 288 I HN -0.155 nan 8.210 nan 0.000 0.476 289 P HA 0.009 nan 4.420 nan 0.000 0.262 289 P C -0.767 176.675 177.300 0.236 0.000 1.182 289 P CA 0.271 63.458 63.100 0.145 0.000 0.761 289 P CB 0.545 32.240 31.700 -0.007 0.000 0.795 290 S N 2.458 118.305 115.700 0.246 0.000 2.565 290 S HA 0.828 5.287 4.470 -0.018 0.000 0.269 290 S C -1.027 173.615 174.600 0.070 0.000 1.153 290 S CA -1.082 57.249 58.200 0.219 0.000 0.835 290 S CB 2.319 65.597 63.200 0.129 0.000 1.122 290 S HN 0.594 nan 8.310 nan 0.000 0.462 291 R N -0.320 120.127 120.500 -0.089 0.000 2.781 291 R HA 0.836 5.165 4.340 -0.018 0.000 0.269 291 R C -1.852 174.388 176.300 -0.100 0.000 1.025 291 R CA -1.148 54.892 56.100 -0.099 0.000 0.914 291 R CB 1.071 31.231 30.300 -0.233 0.000 1.236 291 R HN 0.441 nan 8.270 nan 0.000 0.465 292 V N 2.222 122.117 119.914 -0.031 0.000 2.427 292 V HA 0.409 4.519 4.120 -0.018 0.000 0.286 292 V C -0.136 175.887 176.094 -0.120 0.000 1.034 292 V CA -0.795 61.480 62.300 -0.041 0.000 0.893 292 V CB 1.457 33.302 31.823 0.036 0.000 0.982 292 V HN 0.506 nan 8.190 nan 0.000 0.452 293 I N 3.514 123.924 120.570 -0.267 0.000 2.404 293 I HA 0.454 4.613 4.170 -0.018 0.000 0.293 293 I C 0.218 175.926 176.117 -0.681 0.000 0.992 293 I CA -0.151 60.868 61.300 -0.467 0.000 1.149 293 I CB 1.827 39.451 38.000 -0.627 0.000 1.315 293 I HN 0.520 nan 8.210 nan 0.000 0.446 294 T N 5.205 119.451 114.554 -0.513 0.000 2.786 294 T HA 0.294 4.634 4.350 -0.018 0.000 0.283 294 T C -0.126 174.203 174.700 -0.619 0.000 0.992 294 T CA -0.556 61.218 62.100 -0.542 0.000 0.954 294 T CB 1.000 69.647 68.868 -0.368 0.000 0.934 294 T HN 0.492 nan 8.240 nan 0.000 0.440 295 N N 2.484 120.768 118.700 -0.693 0.000 2.417 295 N HA 0.456 5.186 4.740 -0.018 0.000 0.274 295 N C -1.321 174.041 175.510 -0.247 0.000 0.987 295 N CA -0.666 52.112 53.050 -0.454 0.000 0.912 295 N CB 0.372 38.550 38.487 -0.515 0.000 1.177 295 N HN 0.316 nan 8.380 nan 0.000 0.490 296 F N 2.254 122.246 119.950 0.070 0.000 2.384 296 F HA 0.316 4.832 4.527 -0.018 0.000 0.338 296 F C 0.799 176.679 175.800 0.134 0.000 1.103 296 F CA -0.457 57.655 58.000 0.187 0.000 1.157 296 F CB 0.699 39.811 39.000 0.186 0.000 1.167 296 F HN 0.480 nan 8.300 nan 0.000 0.529 297 N N 0.809 119.718 118.700 0.348 0.000 2.726 297 N HA -0.223 4.507 4.740 -0.018 0.000 0.253 297 N C -0.671 174.934 175.510 0.159 0.000 1.059 297 N CA 0.364 53.549 53.050 0.225 0.000 0.701 297 N CB -1.174 37.401 38.487 0.147 0.000 0.899 297 N HN 0.429 nan 8.380 nan 0.000 0.548 298 S N -0.412 115.401 115.700 0.188 0.000 2.465 298 S HA 0.713 5.172 4.470 -0.018 0.000 0.279 298 S C 0.352 174.972 174.600 0.034 0.000 1.201 298 S CA -0.138 58.122 58.200 0.099 0.000 1.053 298 S CB 0.529 63.807 63.200 0.130 0.000 0.953 298 S HN 0.491 nan 8.310 nan 0.000 0.488 299 A N 4.023 126.839 122.820 -0.008 0.000 2.310 299 A HA 0.427 4.736 4.320 -0.018 0.000 0.299 299 A C -0.378 177.201 177.584 -0.009 0.000 1.147 299 A CA -0.520 51.529 52.037 0.019 0.000 0.818 299 A CB 0.273 19.295 19.000 0.037 0.000 1.096 299 A HN 1.005 nan 8.150 nan 0.000 0.495 300 H N 1.949 120.989 119.070 -0.049 0.000 2.691 300 H HA 0.299 4.844 4.556 -0.017 0.000 0.281 300 H C -1.231 174.134 175.328 0.061 0.000 1.121 300 H CA -0.633 55.417 56.048 0.002 0.000 1.254 300 H CB 0.492 30.252 29.762 -0.003 0.000 1.390 300 H HN 0.682 nan 8.280 nan 0.000 0.491 301 D N 3.947 124.524 120.400 0.294 0.000 2.411 301 D HA -0.017 4.613 4.640 -0.018 0.000 0.225 301 D C 1.271 177.674 176.300 0.170 0.000 1.156 301 D CA -0.266 53.832 54.000 0.163 0.000 0.874 301 D CB 1.252 42.138 40.800 0.143 0.000 1.034 301 D HN 0.686 nan 8.370 nan 0.000 0.502 302 T N -0.085 114.467 114.554 -0.003 0.000 3.081 302 T HA 0.001 4.341 4.350 -0.018 0.000 0.255 302 T C 0.699 175.399 174.700 -0.000 0.000 1.113 302 T CA 0.133 62.216 62.100 -0.027 0.000 1.082 302 T CB 0.120 68.884 68.868 -0.172 0.000 0.939 302 T HN 0.131 nan 8.240 nan 0.000 0.506 303 D N 1.474 121.881 120.400 0.011 0.000 2.354 303 D HA 0.179 4.809 4.640 -0.018 0.000 0.209 303 D C 0.756 177.069 176.300 0.022 0.000 1.015 303 D CA -0.032 53.974 54.000 0.011 0.000 0.867 303 D CB -0.151 40.659 40.800 0.016 0.000 0.933 303 D HN 0.371 nan 8.370 nan 0.000 0.520 304 R N 0.083 120.608 120.500 0.041 0.000 3.531 304 R HA -0.180 4.149 4.340 -0.018 0.000 0.280 304 R C -0.312 175.996 176.300 0.012 0.000 1.130 304 R CA 0.795 56.914 56.100 0.031 0.000 0.757 304 R CB -2.439 27.867 30.300 0.011 0.000 1.218 304 R HN 0.329 nan 8.270 nan 0.000 0.454 305 N N -0.144 118.576 118.700 0.033 0.000 2.177 305 N HA 0.161 4.891 4.740 -0.018 0.000 0.218 305 N C 0.424 175.966 175.510 0.054 0.000 1.182 305 N CA -0.107 52.962 53.050 0.032 0.000 0.882 305 N CB 0.352 38.873 38.487 0.056 0.000 1.052 305 N HN 0.320 nan 8.380 nan 0.000 0.519 306 L N -0.557 120.707 121.223 0.068 0.000 3.843 306 L HA -0.240 4.089 4.340 -0.018 0.000 0.411 306 L C -0.398 176.631 176.870 0.264 0.000 1.205 306 L CA 0.582 55.503 54.840 0.134 0.000 0.945 306 L CB -2.335 39.685 42.059 -0.065 0.000 1.929 306 L HN 0.395 nan 8.230 nan 0.000 0.934 307 S N -0.310 115.503 115.700 0.187 0.000 2.540 307 S HA 0.810 5.270 4.470 -0.018 0.000 0.275 307 S C -0.458 174.217 174.600 0.125 0.000 1.123 307 S CA -0.089 58.216 58.200 0.176 0.000 0.907 307 S CB 2.187 65.492 63.200 0.175 0.000 1.081 307 S HN 0.378 nan 8.310 nan 0.000 0.476 308 V N 1.347 121.324 119.914 0.105 0.000 2.735 308 V HA 0.718 4.828 4.120 -0.018 0.000 0.310 308 V C -1.167 174.974 176.094 0.078 0.000 1.061 308 V CA -0.874 61.475 62.300 0.081 0.000 0.913 308 V CB 1.955 33.820 31.823 0.070 0.000 1.005 308 V HN 0.804 nan 8.190 nan 0.000 0.428 309 D N 2.707 123.151 120.400 0.074 0.000 2.217 309 D HA 0.623 5.252 4.640 -0.018 0.000 0.243 309 D C -0.757 175.505 176.300 -0.063 0.000 1.054 309 D CA -0.183 53.844 54.000 0.045 0.000 0.838 309 D CB 2.637 43.439 40.800 0.003 0.000 1.162 309 D HN 0.472 nan 8.370 nan 0.000 0.472 310 V N 2.664 122.507 119.914 -0.119 0.000 2.495 310 V HA 0.332 4.442 4.120 -0.018 0.000 0.298 310 V C -0.990 174.949 176.094 -0.259 0.000 1.031 310 V CA -0.711 61.506 62.300 -0.138 0.000 0.871 310 V CB 1.181 32.965 31.823 -0.066 0.000 0.988 310 V HN 0.408 nan 8.190 nan 0.000 0.432 311 Y N 3.548 123.719 120.300 -0.215 0.000 2.429 311 Y HA 0.740 5.279 4.550 -0.018 0.000 0.342 311 Y C -0.622 175.020 175.900 -0.431 0.000 1.004 311 Y CA -0.719 57.266 58.100 -0.191 0.000 1.075 311 Y CB 1.924 40.263 38.460 -0.202 0.000 1.214 311 Y HN 0.530 nan 8.280 nan 0.000 0.455 312 Y N 0.639 121.007 120.300 0.113 0.000 2.524 312 Y HA 0.341 4.881 4.550 -0.018 0.000 0.347 312 Y C -0.638 175.272 175.900 0.017 0.000 1.005 312 Y CA -1.498 56.620 58.100 0.028 0.000 1.025 312 Y CB 1.704 40.163 38.460 -0.002 0.000 1.275 312 Y HN 0.619 nan 8.280 nan 0.000 0.460 313 D N 0.892 121.397 120.400 0.175 0.000 2.387 313 D HA 0.359 4.988 4.640 -0.018 0.000 0.255 313 D C -2.361 173.994 176.300 0.093 0.000 1.081 313 D CA -2.436 51.621 54.000 0.095 0.000 0.994 313 D CB 0.939 41.788 40.800 0.083 0.000 1.127 313 D HN 0.123 nan 8.370 nan 0.000 0.513 314 P HA -0.115 nan 4.420 nan 0.000 0.217 314 P C 1.217 178.570 177.300 0.087 0.000 1.148 314 P CA 1.190 64.357 63.100 0.112 0.000 0.828 314 P CB 0.041 31.830 31.700 0.147 0.000 0.783 315 M N -2.276 117.373 119.600 0.080 0.000 2.659 315 M HA 0.200 4.669 4.480 -0.018 0.000 0.243 315 M C 1.209 177.560 176.300 0.085 0.000 1.111 315 M CA 0.888 56.228 55.300 0.067 0.000 1.070 315 M CB -1.485 31.150 32.600 0.058 0.000 1.525 315 M HN 0.137 nan 8.290 nan 0.000 0.517 316 G N 1.224 110.090 108.800 0.110 0.000 2.132 316 G HA2 -0.210 3.739 3.960 -0.018 0.000 0.234 316 G HA3 -0.210 3.739 3.960 -0.018 0.000 0.234 316 G C -0.013 175.028 174.900 0.235 0.000 0.989 316 G CA -0.236 44.945 45.100 0.134 0.000 0.676 316 G HN 0.459 nan 8.290 nan 0.000 0.522 317 N N 1.232 120.071 118.700 0.232 0.000 2.479 317 N HA 0.446 5.176 4.740 -0.018 0.000 0.285 317 N C -2.797 172.746 175.510 0.056 0.000 1.075 317 N CA -1.129 52.045 53.050 0.206 0.000 0.967 317 N CB 1.682 40.285 38.487 0.194 0.000 1.137 317 N HN 0.063 nan 8.380 nan 0.000 0.472 318 P HA 0.270 nan 4.420 nan 0.000 0.275 318 P C -0.422 176.570 177.300 -0.513 0.000 1.228 318 P CA -0.044 62.795 63.100 -0.436 0.000 0.786 318 P CB 0.921 32.368 31.700 -0.423 0.000 0.927 319 L N 1.734 122.699 121.223 -0.430 0.000 2.333 319 L HA 0.460 4.789 4.340 -0.018 0.000 0.269 319 L C 0.254 176.940 176.870 -0.307 0.000 1.010 319 L CA -0.672 53.970 54.840 -0.329 0.000 0.818 319 L CB 1.636 43.572 42.059 -0.206 0.000 1.306 319 L HN 0.247 nan 8.230 nan 0.000 0.430 320 D N 2.182 122.412 120.400 -0.283 0.000 2.524 320 D HA 0.224 4.854 4.640 -0.018 0.000 0.222 320 D C -0.554 175.599 176.300 -0.246 0.000 1.142 320 D CA -0.147 53.713 54.000 -0.234 0.000 0.973 320 D CB 0.401 41.079 40.800 -0.203 0.000 1.025 320 D HN 0.321 nan 8.370 nan 0.000 0.519 321 K N 2.166 122.406 120.400 -0.267 0.000 2.422 321 K HA 0.653 4.962 4.320 -0.018 0.000 0.251 321 K C -0.581 175.854 176.600 -0.276 0.000 0.933 321 K CA -0.595 55.437 56.287 -0.426 0.000 0.798 321 K CB 1.573 33.549 32.500 -0.874 0.000 1.238 321 K HN 0.475 nan 8.250 nan 0.000 0.428 322 G N 1.526 110.158 108.800 -0.279 0.000 2.777 322 G HA2 -0.192 3.757 3.960 -0.018 0.000 0.686 322 G HA3 -0.192 3.757 3.960 -0.018 0.000 0.686 322 G C 0.309 175.143 174.900 -0.109 0.000 1.177 322 G CA -0.247 44.775 45.100 -0.130 0.000 0.775 322 G HN 0.554 nan 8.290 nan 0.000 0.613 323 S N 1.211 116.843 115.700 -0.113 0.000 2.365 323 S HA -0.086 4.373 4.470 -0.018 0.000 0.225 323 S C 1.338 175.833 174.600 -0.175 0.000 1.039 323 S CA 1.777 59.895 58.200 -0.137 0.000 1.033 323 S CB -0.302 62.817 63.200 -0.136 0.000 0.887 323 S HN 0.835 nan 8.310 nan 0.000 0.447 324 D N 1.334 121.649 120.400 -0.141 0.000 2.278 324 D HA 0.409 5.039 4.640 -0.018 0.000 0.240 324 D C 0.453 176.721 176.300 -0.052 0.000 1.347 324 D CA 0.524 54.444 54.000 -0.134 0.000 0.945 324 D CB 0.270 41.047 40.800 -0.037 0.000 1.175 324 D HN 0.433 nan 8.370 nan 0.000 0.519 325 S N -2.455 113.268 115.700 0.038 0.000 2.622 325 S HA 0.436 4.895 4.470 -0.018 0.000 0.275 325 S C -1.563 173.157 174.600 0.199 0.000 1.112 325 S CA -1.087 57.174 58.200 0.101 0.000 0.837 325 S CB 0.741 64.016 63.200 0.124 0.000 1.082 325 S HN 0.153 nan 8.310 nan 0.000 0.456 326 V N 2.045 122.070 119.914 0.184 0.000 2.407 326 V HA 0.504 4.614 4.120 -0.018 0.000 0.291 326 V C -1.153 175.117 176.094 0.294 0.000 1.018 326 V CA -0.389 62.044 62.300 0.222 0.000 0.842 326 V CB 0.956 32.852 31.823 0.122 0.000 0.996 326 V HN 0.865 nan 8.190 nan 0.000 0.426 327 W N 3.218 124.502 121.300 -0.027 0.000 2.261 327 W HA 0.421 5.070 4.660 -0.018 0.000 0.323 327 W C 1.505 178.061 176.519 0.062 0.000 1.243 327 W CA -0.959 56.354 57.345 -0.054 0.000 1.210 327 W CB 0.170 29.577 29.460 -0.089 0.000 1.149 327 W HN 0.497 nan 8.180 nan 0.000 0.562 328 N N 1.379 120.242 118.700 0.273 0.000 2.205 328 N HA -0.140 4.589 4.740 -0.018 0.000 0.186 328 N C -0.171 175.674 175.510 0.558 0.000 1.015 328 N CA 1.307 54.590 53.050 0.388 0.000 0.862 328 N CB -0.068 38.674 38.487 0.425 0.000 0.986 328 N HN 0.394 nan 8.380 nan 0.000 0.429 329 F N -2.531 117.689 119.950 0.450 0.000 2.744 329 F HA 0.473 4.990 4.527 -0.016 0.000 0.311 329 F C -1.233 174.872 175.800 0.508 0.000 1.144 329 F CA -1.326 56.790 58.000 0.194 0.000 0.938 329 F CB 0.928 39.764 39.000 -0.273 0.000 1.292 329 F HN -0.180 nan 8.300 nan 0.000 0.444 330 H N 1.041 120.305 119.070 0.323 0.000 2.865 330 H HA 0.816 5.362 4.556 -0.017 0.000 0.362 330 H C -2.044 173.371 175.328 0.146 0.000 1.114 330 H CA -1.006 55.236 56.048 0.323 0.000 1.208 330 H CB 2.159 31.958 29.762 0.062 0.000 1.727 330 H HN 0.731 nan 8.280 nan 0.000 0.534 331 V N 5.164 124.989 119.914 -0.148 0.000 2.667 331 V HA 0.570 4.679 4.120 -0.018 0.000 0.308 331 V C -0.728 175.174 176.094 -0.321 0.000 1.048 331 V CA -0.336 61.795 62.300 -0.283 0.000 0.928 331 V CB 1.061 32.929 31.823 0.076 0.000 1.004 331 V HN 0.916 nan 8.190 nan 0.000 0.444 332 W N 2.690 123.837 121.300 -0.254 0.000 2.894 332 W HA 0.703 5.354 4.660 -0.016 0.000 0.424 332 W C -1.486 174.985 176.519 -0.080 0.000 1.072 332 W CA -1.007 56.235 57.345 -0.171 0.000 1.194 332 W CB 0.653 29.999 29.460 -0.190 0.000 1.471 332 W HN 0.408 nan 8.180 nan 0.000 0.608 333 N N -0.120 118.824 118.700 0.407 0.000 2.545 333 N HA 0.586 5.315 4.740 -0.018 0.000 0.289 333 N C -1.685 174.007 175.510 0.304 0.000 1.279 333 N CA -1.060 52.131 53.050 0.235 0.000 0.824 333 N CB 2.064 40.630 38.487 0.131 0.000 1.395 333 N HN 0.441 nan 8.380 nan 0.000 0.526 334 E N -0.661 119.634 120.200 0.158 0.000 2.275 334 E HA 0.565 4.905 4.350 -0.018 0.000 0.270 334 E C -0.947 175.829 176.600 0.293 0.000 0.882 334 E CA -0.963 55.553 56.400 0.193 0.000 0.758 334 E CB 2.185 31.900 29.700 0.026 0.000 1.195 334 E HN 0.585 nan 8.360 nan 0.000 0.419 335 G N 1.669 110.623 108.800 0.257 0.000 2.432 335 G HA2 0.353 4.303 3.960 -0.018 0.000 0.331 335 G HA3 0.353 4.303 3.960 -0.018 0.000 0.331 335 G C -1.520 173.328 174.900 -0.087 0.000 1.170 335 G CA -0.537 44.690 45.100 0.212 0.000 0.943 335 G HN 0.434 nan 8.290 nan 0.000 0.483 336 W N 3.682 124.770 121.300 -0.354 0.000 2.294 336 W HA 0.626 5.277 4.660 -0.016 0.000 0.314 336 W C -1.828 174.467 176.519 -0.373 0.000 1.044 336 W CA -1.216 55.702 57.345 -0.711 0.000 1.284 336 W CB 0.869 29.716 29.460 -1.020 0.000 1.231 336 W HN 0.438 nan 8.180 nan 0.000 0.419 337 F N 3.166 122.763 119.950 -0.589 0.000 2.746 337 F HA 0.419 4.936 4.527 -0.018 0.000 0.311 337 F C -0.680 174.867 175.800 -0.420 0.000 1.135 337 F CA -1.714 56.035 58.000 -0.419 0.000 0.954 337 F CB -0.433 38.430 39.000 -0.228 0.000 1.276 337 F HN 0.116 nan 8.300 nan 0.000 0.440 338 V N 0.251 120.147 119.914 -0.029 0.000 3.096 338 V HA 0.573 4.683 4.120 -0.018 0.000 0.306 338 V C -0.020 176.135 176.094 0.102 0.000 1.088 338 V CA -0.580 61.692 62.300 -0.048 0.000 1.129 338 V CB 0.841 32.658 31.823 -0.010 0.000 1.014 338 V HN 0.870 nan 8.190 nan 0.000 0.486 339 R N 2.375 122.912 120.500 0.062 0.000 2.477 339 R HA 0.313 4.643 4.340 -0.018 0.000 0.285 339 R C 1.263 177.612 176.300 0.083 0.000 1.415 339 R CA 0.448 56.616 56.100 0.113 0.000 1.446 339 R CB 0.739 31.104 30.300 0.108 0.000 1.110 339 R HN 1.080 nan 8.270 nan 0.000 0.590 340 S N 0.034 115.778 115.700 0.073 0.000 2.442 340 S HA -0.167 4.293 4.470 -0.018 0.000 0.236 340 S C 1.153 175.781 174.600 0.047 0.000 1.007 340 S CA 1.350 59.583 58.200 0.054 0.000 0.965 340 S CB 0.002 63.231 63.200 0.048 0.000 0.773 340 S HN 0.503 nan 8.310 nan 0.000 0.504 341 D N 1.445 121.875 120.400 0.051 0.000 2.323 341 D HA 0.012 4.641 4.640 -0.018 0.000 0.209 341 D C 1.696 177.987 176.300 -0.015 0.000 0.973 341 D CA 0.408 54.421 54.000 0.022 0.000 0.874 341 D CB -0.298 40.523 40.800 0.035 0.000 0.930 341 D HN 0.505 nan 8.370 nan 0.000 0.521 342 L N -0.910 120.316 121.223 0.004 0.000 2.500 342 L HA 0.428 4.757 4.340 -0.018 0.000 0.219 342 L C 1.204 178.148 176.870 0.123 0.000 1.057 342 L CA 0.329 55.148 54.840 -0.035 0.000 0.854 342 L CB 0.303 42.273 42.059 -0.147 0.000 1.078 342 L HN 0.258 nan 8.230 nan 0.000 0.480 343 G N -0.202 108.688 108.800 0.151 0.000 2.357 343 G HA2 -0.070 3.880 3.960 -0.018 0.000 0.643 343 G HA3 -0.070 3.880 3.960 -0.018 0.000 0.643 343 G C -2.623 172.345 174.900 0.114 0.000 1.358 343 G CA -0.727 44.463 45.100 0.150 0.000 0.986 343 G HN -0.201 nan 8.290 nan 0.000 0.620 344 P HA -0.013 nan 4.420 nan 0.000 0.223 344 P C 1.803 179.045 177.300 -0.097 0.000 1.144 344 P CA 2.085 65.170 63.100 -0.025 0.000 0.783 344 P CB 0.125 31.810 31.700 -0.024 0.000 0.771 345 S N -3.214 112.371 115.700 -0.192 0.000 2.535 345 S HA 0.037 4.497 4.470 -0.018 0.000 0.214 345 S C 1.045 175.321 174.600 -0.539 0.000 0.980 345 S CA -0.076 57.886 58.200 -0.395 0.000 0.907 345 S CB -0.921 61.953 63.200 -0.542 0.000 0.790 345 S HN 0.163 nan 8.310 nan 0.000 0.510 346 Y N 2.039 122.292 120.300 -0.078 0.000 2.555 346 Y HA 0.483 5.022 4.550 -0.018 0.000 0.259 346 Y C 1.643 177.445 175.900 -0.163 0.000 1.179 346 Y CA -0.671 57.371 58.100 -0.097 0.000 1.230 346 Y CB -0.071 38.351 38.460 -0.063 0.000 1.146 346 Y HN 0.378 nan 8.280 nan 0.000 0.526 347 G N -0.122 108.605 108.800 -0.122 0.000 2.588 347 G HA2 0.471 4.421 3.960 -0.018 0.000 0.278 347 G HA3 0.471 4.421 3.960 -0.018 0.000 0.278 347 G C 0.548 175.125 174.900 -0.539 0.000 1.307 347 G CA 0.385 45.307 45.100 -0.297 0.000 1.016 347 G HN 0.551 nan 8.290 nan 0.000 0.503 348 G N -1.544 106.629 108.800 -1.046 0.000 2.464 348 G HA2 -0.149 3.800 3.960 -0.018 0.000 0.216 348 G HA3 -0.149 3.800 3.960 -0.018 0.000 0.216 348 G C -0.304 173.886 174.900 -1.183 0.000 1.186 348 G CA -0.242 43.863 45.100 -1.658 0.000 1.010 348 G HN 0.805 nan 8.290 nan 0.000 0.585 349 W N 2.009 123.076 121.300 -0.388 0.000 2.210 349 W HA 0.560 5.209 4.660 -0.018 0.000 0.330 349 W C 0.534 176.864 176.519 -0.316 0.000 1.334 349 W CA -0.091 57.125 57.345 -0.215 0.000 1.227 349 W CB 0.697 30.125 29.460 -0.054 0.000 1.178 349 W HN 0.368 nan 8.180 nan 0.000 0.560 350 Q N 2.706 122.458 119.800 -0.080 0.000 2.321 350 Q HA 0.301 4.630 4.340 -0.018 0.000 0.270 350 Q C -0.669 175.349 176.000 0.030 0.000 1.032 350 Q CA -1.014 54.705 55.803 -0.140 0.000 0.784 350 Q CB 1.832 30.297 28.738 -0.455 0.000 1.264 350 Q HN 0.238 nan 8.270 nan 0.000 0.448 351 V N 3.902 123.853 119.914 0.062 0.000 2.585 351 V HA 0.166 4.275 4.120 -0.018 0.000 0.296 351 V C 0.265 176.382 176.094 0.038 0.000 1.035 351 V CA 0.249 62.583 62.300 0.057 0.000 1.084 351 V CB 0.097 31.878 31.823 -0.070 0.000 0.953 351 V HN 0.548 nan 8.190 nan 0.000 0.483 352 L N 4.716 125.979 121.223 0.066 0.000 2.439 352 L HA 0.579 4.909 4.340 -0.018 0.000 0.270 352 L C -1.019 175.892 176.870 0.070 0.000 0.972 352 L CA -0.364 54.515 54.840 0.065 0.000 0.836 352 L CB 2.196 44.320 42.059 0.108 0.000 1.255 352 L HN 0.547 nan 8.230 nan 0.000 0.404 353 D N 1.930 122.349 120.400 0.033 0.000 2.620 353 D HA 0.481 5.110 4.640 -0.018 0.000 0.252 353 D C 0.181 176.497 176.300 0.027 0.000 1.207 353 D CA -0.298 53.746 54.000 0.073 0.000 0.884 353 D CB 2.478 43.322 40.800 0.074 0.000 1.262 353 D HN 0.558 nan 8.370 nan 0.000 0.552 354 A N 2.738 125.575 122.820 0.027 0.000 2.238 354 A HA 0.141 4.450 4.320 -0.018 0.000 0.210 354 A C 0.937 178.318 177.584 -0.338 0.000 1.179 354 A CA 0.270 52.268 52.037 -0.065 0.000 0.827 354 A CB -0.019 19.007 19.000 0.043 0.000 0.856 354 A HN 0.468 nan 8.150 nan 0.000 0.488 355 T N 3.674 118.065 114.554 -0.273 0.000 2.834 355 T HA 0.315 4.654 4.350 -0.018 0.000 0.298 355 T C -2.520 171.956 174.700 -0.373 0.000 0.966 355 T CA -0.577 61.233 62.100 -0.483 0.000 1.141 355 T CB 0.836 69.774 68.868 0.117 0.000 0.905 355 T HN 0.203 nan 8.240 nan 0.000 0.535 356 P HA 0.205 nan 4.420 nan 0.000 0.260 356 P C -0.102 176.918 177.300 -0.466 0.000 1.651 356 P CA -0.043 62.715 63.100 -0.570 0.000 1.139 356 P CB 0.631 31.699 31.700 -1.053 0.000 1.756 357 Q N 0.945 120.583 119.800 -0.269 0.000 2.581 357 Q HA 0.087 4.416 4.340 -0.018 0.000 0.222 357 Q C 0.173 176.097 176.000 -0.126 0.000 0.904 357 Q CA 0.467 56.080 55.803 -0.317 0.000 0.923 357 Q CB 0.500 28.826 28.738 -0.688 0.000 1.117 357 Q HN 0.314 nan 8.270 nan 0.000 0.618 358 E N 0.916 120.890 120.200 -0.376 0.000 2.191 358 E HA 0.243 4.582 4.350 -0.018 0.000 0.263 358 E C -1.254 175.155 176.600 -0.318 0.000 0.881 358 E CA -0.319 55.874 56.400 -0.345 0.000 0.757 358 E CB 0.951 30.199 29.700 -0.753 0.000 1.147 358 E HN -0.016 nan 8.360 nan 0.000 0.414 359 R N 2.118 122.388 120.500 -0.384 0.000 2.590 359 R HA 0.321 4.651 4.340 -0.018 0.000 0.274 359 R C -0.434 175.685 176.300 -0.302 0.000 1.061 359 R CA -0.032 55.751 56.100 -0.528 0.000 1.081 359 R CB 0.951 30.868 30.300 -0.637 0.000 0.984 359 R HN 0.388 nan 8.270 nan 0.000 0.448 360 S N 1.799 117.356 115.700 -0.239 0.000 2.659 360 S HA 0.115 4.574 4.470 -0.018 0.000 0.312 360 S C -0.562 173.976 174.600 -0.105 0.000 1.114 360 S CA -0.532 57.588 58.200 -0.133 0.000 1.063 360 S CB 0.765 63.913 63.200 -0.087 0.000 0.996 360 S HN 0.722 nan 8.310 nan 0.000 0.478 361 Q N 2.911 122.666 119.800 -0.075 0.000 2.487 361 Q HA -0.213 4.117 4.340 -0.018 0.000 0.279 361 Q C 0.961 176.908 176.000 -0.089 0.000 1.228 361 Q CA 0.845 56.615 55.803 -0.055 0.000 0.873 361 Q CB -1.928 26.800 28.738 -0.016 0.000 1.260 361 Q HN 1.654 nan 8.270 nan 0.000 0.471 362 G N -2.173 106.544 108.800 -0.138 0.000 2.220 362 G HA2 -0.348 3.601 3.960 -0.018 0.000 0.269 362 G HA3 -0.348 3.601 3.960 -0.018 0.000 0.269 362 G C 0.267 175.029 174.900 -0.230 0.000 0.977 362 G CA 0.372 45.369 45.100 -0.173 0.000 0.634 362 G HN 0.424 nan 8.290 nan 0.000 0.539 363 V N 0.185 119.971 119.914 -0.213 0.000 2.769 363 V HA 0.655 4.764 4.120 -0.018 0.000 0.312 363 V C 0.243 176.181 176.094 -0.261 0.000 1.058 363 V CA -0.908 61.277 62.300 -0.191 0.000 0.952 363 V CB 1.753 33.526 31.823 -0.083 0.000 1.019 363 V HN 0.162 nan 8.190 nan 0.000 0.445 364 F N 4.044 123.946 119.950 -0.081 0.000 2.566 364 F HA 0.360 4.876 4.527 -0.017 0.000 0.349 364 F C 0.760 176.483 175.800 -0.128 0.000 1.245 364 F CA 0.040 57.968 58.000 -0.119 0.000 1.169 364 F CB 0.112 39.049 39.000 -0.105 0.000 1.470 364 F HN 0.585 nan 8.300 nan 0.000 0.634 365 Q N 1.836 121.632 119.800 -0.007 0.000 2.456 365 Q HA 0.724 5.054 4.340 -0.018 0.000 0.284 365 Q C -1.688 174.266 176.000 -0.077 0.000 1.061 365 Q CA -1.088 54.684 55.803 -0.052 0.000 0.799 365 Q CB 2.520 31.207 28.738 -0.085 0.000 1.445 365 Q HN 0.375 nan 8.270 nan 0.000 0.411 366 C N 0.901 120.160 119.300 -0.069 0.000 2.817 366 C HA 0.800 5.249 4.460 -0.018 0.000 0.385 366 C C 0.205 175.182 174.990 -0.021 0.000 1.050 366 C CA 1.151 60.145 59.018 -0.040 0.000 1.245 366 C CB 0.464 28.190 27.740 -0.024 0.000 1.706 366 C HN 1.374 nan 8.230 nan 0.000 0.488 367 G N 6.719 115.528 108.800 0.015 0.000 2.710 367 G HA2 0.006 3.956 3.960 -0.018 0.000 0.668 367 G HA3 0.006 3.956 3.960 -0.018 0.000 0.668 367 G C -3.176 171.682 174.900 -0.070 0.000 1.320 367 G CA -0.412 44.715 45.100 0.047 0.000 0.860 367 G HN 0.710 nan 8.290 nan 0.000 0.538 368 P HA 0.496 nan 4.420 nan 0.000 0.275 368 P C -0.358 177.083 177.300 0.234 0.000 1.227 368 P CA 0.685 63.902 63.100 0.196 0.000 0.781 368 P CB 1.439 33.353 31.700 0.358 0.000 0.906 369 A N 2.421 125.316 122.820 0.126 0.000 2.319 369 A HA 0.413 4.722 4.320 -0.018 0.000 0.310 369 A C 0.268 177.877 177.584 0.042 0.000 1.152 369 A CA -0.702 51.388 52.037 0.087 0.000 0.783 369 A CB 0.713 19.748 19.000 0.058 0.000 1.184 369 A HN 0.473 nan 8.150 nan 0.000 0.474 370 S N 2.336 118.055 115.700 0.031 0.000 2.515 370 S HA 0.142 4.602 4.470 -0.018 0.000 0.285 370 S C 1.383 175.996 174.600 0.022 0.000 1.265 370 S CA -0.213 58.002 58.200 0.025 0.000 1.079 370 S CB 0.063 63.325 63.200 0.102 0.000 0.877 370 S HN 0.755 nan 8.310 nan 0.000 0.493 371 V N 7.256 127.145 119.914 -0.041 0.000 2.407 371 V HA -0.177 3.933 4.120 -0.018 0.000 0.248 371 V C 2.148 178.184 176.094 -0.097 0.000 1.055 371 V CA 1.950 64.148 62.300 -0.170 0.000 1.049 371 V CB -0.659 30.977 31.823 -0.311 0.000 0.662 371 V HN 0.908 nan 8.190 nan 0.000 0.455 372 I N 0.741 121.297 120.570 -0.022 0.000 2.286 372 I HA -0.171 3.988 4.170 -0.018 0.000 0.248 372 I C 2.480 178.674 176.117 0.129 0.000 1.115 372 I CA 1.648 62.956 61.300 0.013 0.000 1.392 372 I CB -0.664 37.316 38.000 -0.033 0.000 1.065 372 I HN 0.412 nan 8.210 nan 0.000 0.418 373 G N -0.086 108.858 108.800 0.241 0.000 2.421 373 G HA2 -0.134 3.816 3.960 -0.018 0.000 0.217 373 G HA3 -0.134 3.816 3.960 -0.018 0.000 0.217 373 G C 1.677 176.697 174.900 0.200 0.000 1.143 373 G CA 0.528 45.806 45.100 0.296 0.000 0.784 373 G HN 0.234 nan 8.290 nan 0.000 0.541 374 V N 0.506 120.523 119.914 0.172 0.000 2.358 374 V HA -0.118 3.991 4.120 -0.018 0.000 0.246 374 V C 2.753 179.051 176.094 0.340 0.000 1.047 374 V CA 1.992 64.454 62.300 0.270 0.000 1.035 374 V CB -0.417 31.534 31.823 0.214 0.000 0.658 374 V HN 0.380 nan 8.190 nan 0.000 0.452 375 R N -0.027 120.596 120.500 0.205 0.000 2.096 375 R HA -0.162 4.167 4.340 -0.018 0.000 0.235 375 R C 2.152 178.675 176.300 0.372 0.000 1.127 375 R CA 1.477 57.706 56.100 0.216 0.000 0.968 375 R CB -0.047 30.278 30.300 0.041 0.000 0.861 375 R HN 0.452 nan 8.270 nan 0.000 0.440 376 E N -0.989 119.397 120.200 0.311 0.000 2.371 376 E HA 0.026 4.365 4.350 -0.018 0.000 0.194 376 E C 1.008 177.746 176.600 0.229 0.000 1.012 376 E CA 0.934 57.517 56.400 0.305 0.000 0.860 376 E CB 0.448 30.284 29.700 0.227 0.000 0.811 376 E HN 0.603 nan 8.360 nan 0.000 0.502 377 G N 2.178 111.113 108.800 0.225 0.000 2.132 377 G HA2 -0.189 3.760 3.960 -0.018 0.000 0.228 377 G HA3 -0.189 3.760 3.960 -0.018 0.000 0.228 377 G C -0.310 174.523 174.900 -0.111 0.000 1.000 377 G CA 0.116 45.195 45.100 -0.034 0.000 0.693 377 G HN 0.132 nan 8.290 nan 0.000 0.515 378 D N 1.206 121.605 120.400 -0.001 0.000 2.801 378 D HA 0.214 4.844 4.640 -0.018 0.000 0.232 378 D C 2.073 178.308 176.300 -0.107 0.000 1.128 378 D CA 0.512 54.487 54.000 -0.041 0.000 1.003 378 D CB 0.401 41.218 40.800 0.028 0.000 1.110 378 D HN 0.655 nan 8.370 nan 0.000 0.477 379 V N -0.878 118.939 119.914 -0.161 0.000 3.444 379 V HA -0.180 3.929 4.120 -0.018 0.000 0.271 379 V C 1.290 177.299 176.094 -0.141 0.000 1.188 379 V CA 0.867 63.072 62.300 -0.158 0.000 1.168 379 V CB -0.484 31.195 31.823 -0.241 0.000 0.810 379 V HN 0.036 nan 8.190 nan 0.000 0.500 380 Q N 0.743 120.456 119.800 -0.146 0.000 2.424 380 Q HA 0.372 4.702 4.340 -0.018 0.000 0.204 380 Q C 0.594 176.491 176.000 -0.172 0.000 0.933 380 Q CA 0.433 56.152 55.803 -0.141 0.000 0.929 380 Q CB -0.452 28.211 28.738 -0.124 0.000 1.037 380 Q HN 0.645 nan 8.270 nan 0.000 0.511 381 L N 1.744 122.845 121.223 -0.204 0.000 2.395 381 L HA 0.198 4.527 4.340 -0.018 0.000 0.269 381 L C 0.230 176.938 176.870 -0.270 0.000 1.133 381 L CA -0.732 53.947 54.840 -0.268 0.000 0.812 381 L CB 0.395 42.237 42.059 -0.362 0.000 1.125 381 L HN 0.134 nan 8.230 nan 0.000 0.452 382 N N 1.644 120.099 118.700 -0.407 0.000 2.508 382 N HA 0.338 5.067 4.740 -0.018 0.000 0.264 382 N C -0.885 174.476 175.510 -0.248 0.000 1.216 382 N CA 0.247 52.903 53.050 -0.657 0.000 0.943 382 N CB 0.814 38.300 38.487 -1.668 0.000 1.113 382 N HN 0.221 nan 8.380 nan 0.000 0.447 383 F N -0.437 119.502 119.950 -0.019 0.000 2.577 383 F HA 0.242 4.759 4.527 -0.017 0.000 0.318 383 F C 0.603 176.400 175.800 -0.004 0.000 1.065 383 F CA -0.802 57.190 58.000 -0.013 0.000 0.929 383 F CB 1.092 40.091 39.000 -0.002 0.000 1.237 383 F HN 0.355 nan 8.300 nan 0.000 0.468 384 D N 1.730 122.238 120.400 0.179 0.000 2.751 384 D HA -0.224 4.405 4.640 -0.018 0.000 0.233 384 D C 1.274 177.651 176.300 0.129 0.000 1.149 384 D CA 0.709 54.792 54.000 0.138 0.000 0.682 384 D CB -0.747 40.142 40.800 0.148 0.000 1.068 384 D HN 0.593 nan 8.370 nan 0.000 0.429 385 M N -1.297 118.344 119.600 0.068 0.000 2.175 385 M HA -0.092 4.377 4.480 -0.018 0.000 0.264 385 M C -0.690 175.659 176.300 0.081 0.000 1.063 385 M CA 1.538 56.873 55.300 0.058 0.000 1.119 385 M CB -1.140 31.463 32.600 0.004 0.000 1.377 385 M HN 0.033 nan 8.290 nan 0.000 0.415 386 P HA -0.205 nan 4.420 nan 0.000 0.214 386 P C 1.450 178.833 177.300 0.139 0.000 1.163 386 P CA 1.330 64.466 63.100 0.060 0.000 0.889 386 P CB -0.287 31.432 31.700 0.032 0.000 0.790 387 F N 0.266 120.219 119.950 0.006 0.000 2.069 387 F HA -0.188 4.328 4.527 -0.018 0.000 0.298 387 F C 2.007 177.780 175.800 -0.046 0.000 1.113 387 F CA 1.536 59.525 58.000 -0.019 0.000 1.214 387 F CB -1.038 37.922 39.000 -0.067 0.000 0.978 387 F HN -0.227 nan 8.300 nan 0.000 0.474 388 I N -0.754 119.613 120.570 -0.339 0.000 2.226 388 I HA -0.280 3.879 4.170 -0.018 0.000 0.245 388 I C 2.414 178.380 176.117 -0.252 0.000 1.100 388 I CA 1.598 62.590 61.300 -0.513 0.000 1.374 388 I CB -0.768 37.068 38.000 -0.274 0.000 1.057 388 I HN 0.206 nan 8.210 nan 0.000 0.413 389 F N 1.859 121.715 119.950 -0.157 0.000 2.161 389 F HA -0.269 4.248 4.527 -0.017 0.000 0.300 389 F C 2.471 178.231 175.800 -0.065 0.000 1.089 389 F CA 1.561 59.526 58.000 -0.059 0.000 1.282 389 F CB -0.151 38.826 39.000 -0.038 0.000 1.010 389 F HN 0.007 nan 8.300 nan 0.000 0.485 390 A N -0.071 122.794 122.820 0.074 0.000 1.930 390 A HA -0.162 4.147 4.320 -0.018 0.000 0.217 390 A C 2.078 179.594 177.584 -0.114 0.000 1.175 390 A CA 1.624 53.679 52.037 0.031 0.000 0.627 390 A CB -0.787 18.254 19.000 0.068 0.000 0.815 390 A HN 0.535 nan 8.150 nan 0.000 0.443 391 E N -0.274 119.749 120.200 -0.295 0.000 2.085 391 E HA -0.171 4.169 4.350 -0.018 0.000 0.194 391 E C 1.904 178.432 176.600 -0.120 0.000 0.994 391 E CA 1.888 58.120 56.400 -0.280 0.000 0.801 391 E CB -0.298 29.110 29.700 -0.487 0.000 0.743 391 E HN 0.672 nan 8.360 nan 0.000 0.453 392 V N -2.131 117.693 119.914 -0.152 0.000 3.590 392 V HA 0.189 4.298 4.120 -0.018 0.000 0.265 392 V C 0.877 176.879 176.094 -0.153 0.000 1.239 392 V CA 0.895 63.124 62.300 -0.119 0.000 1.117 392 V CB 0.221 31.970 31.823 -0.122 0.000 0.818 392 V HN 0.062 nan 8.190 nan 0.000 0.451 393 N N 0.285 118.859 118.700 -0.210 0.000 2.286 393 N HA 0.489 5.218 4.740 -0.018 0.000 0.245 393 N C 0.089 175.668 175.510 0.115 0.000 1.363 393 N CA 0.485 53.452 53.050 -0.138 0.000 0.822 393 N CB 0.937 39.201 38.487 -0.371 0.000 1.345 393 N HN 0.646 nan 8.380 nan 0.000 0.494 394 A N -0.086 122.808 122.820 0.122 0.000 2.407 394 A HA 0.337 4.646 4.320 -0.018 0.000 0.248 394 A C -0.140 177.553 177.584 0.181 0.000 1.082 394 A CA -0.090 52.102 52.037 0.258 0.000 0.785 394 A CB 0.264 19.360 19.000 0.159 0.000 1.020 394 A HN 0.276 nan 8.150 nan 0.000 0.489 395 D N 0.182 120.710 120.400 0.213 0.000 2.313 395 D HA 0.339 4.969 4.640 -0.018 0.000 0.247 395 D C 0.241 176.562 176.300 0.036 0.000 1.094 395 D CA 0.227 54.245 54.000 0.030 0.000 0.925 395 D CB 0.827 41.612 40.800 -0.026 0.000 1.188 395 D HN 0.534 nan 8.370 nan 0.000 0.430 396 R N 1.941 122.428 120.500 -0.022 0.000 2.393 396 R HA 0.493 4.823 4.340 -0.018 0.000 0.315 396 R C -0.921 175.345 176.300 -0.057 0.000 0.952 396 R CA -0.541 55.546 56.100 -0.021 0.000 0.842 396 R CB 0.499 30.778 30.300 -0.035 0.000 1.163 396 R HN 0.375 nan 8.270 nan 0.000 0.450 397 I N 3.611 124.148 120.570 -0.055 0.000 2.354 397 I HA 0.244 4.404 4.170 -0.018 0.000 0.292 397 I C -0.221 175.769 176.117 -0.211 0.000 0.989 397 I CA -0.699 60.494 61.300 -0.180 0.000 1.188 397 I CB 2.253 40.148 38.000 -0.176 0.000 1.342 397 I HN 0.572 nan 8.210 nan 0.000 0.457 398 T N 4.904 119.294 114.554 -0.274 0.000 2.749 398 T HA 0.382 4.721 4.350 -0.018 0.000 0.287 398 T C -0.868 173.657 174.700 -0.292 0.000 0.970 398 T CA -0.332 61.676 62.100 -0.153 0.000 0.980 398 T CB 0.433 69.278 68.868 -0.039 0.000 0.924 398 T HN 0.314 nan 8.240 nan 0.000 0.456 399 W N 2.213 123.358 121.300 -0.257 0.000 2.655 399 W HA 0.685 5.335 4.660 -0.018 0.000 0.358 399 W C -0.658 175.748 176.519 -0.189 0.000 1.100 399 W CA -1.042 56.141 57.345 -0.270 0.000 1.195 399 W CB 0.929 30.111 29.460 -0.463 0.000 1.403 399 W HN 0.166 nan 8.180 nan 0.000 0.589 400 L N 2.179 123.328 121.223 -0.124 0.000 2.346 400 L HA 0.459 4.789 4.340 -0.018 0.000 0.276 400 L C -1.475 175.078 176.870 -0.528 0.000 1.006 400 L CA -1.132 53.402 54.840 -0.510 0.000 0.817 400 L CB 1.337 42.643 42.059 -1.255 0.000 1.272 400 L HN 0.589 nan 8.230 nan 0.000 0.421 401 Y N 2.997 123.061 120.300 -0.393 0.000 2.362 401 Y HA 0.325 4.864 4.550 -0.018 0.000 0.326 401 Y C -0.946 174.884 175.900 -0.116 0.000 1.083 401 Y CA -0.782 57.184 58.100 -0.223 0.000 1.073 401 Y CB 1.503 39.914 38.460 -0.082 0.000 1.211 401 Y HN 0.549 nan 8.280 nan 0.000 0.433 402 D N 4.692 124.753 120.400 -0.565 0.000 2.427 402 D HA 0.116 4.745 4.640 -0.018 0.000 0.226 402 D C 0.295 176.194 176.300 -0.670 0.000 1.076 402 D CA -0.045 53.745 54.000 -0.351 0.000 0.849 402 D CB 1.194 42.000 40.800 0.009 0.000 1.052 402 D HN 0.860 nan 8.370 nan 0.000 0.515 403 N N 1.905 120.308 118.700 -0.494 0.000 2.289 403 N HA -0.186 4.544 4.740 -0.018 0.000 0.184 403 N C 1.772 177.195 175.510 -0.145 0.000 1.016 403 N CA 2.050 54.931 53.050 -0.282 0.000 0.872 403 N CB 0.205 38.717 38.487 0.042 0.000 0.973 403 N HN 0.501 nan 8.380 nan 0.000 0.433 404 T N -3.774 110.717 114.554 -0.106 0.000 2.821 404 T HA -0.126 4.213 4.350 -0.018 0.000 0.267 404 T C 1.814 176.484 174.700 -0.050 0.000 1.046 404 T CA 1.819 63.889 62.100 -0.051 0.000 1.139 404 T CB -0.898 67.955 68.868 -0.026 0.000 0.871 404 T HN 0.322 nan 8.240 nan 0.000 0.454 405 T N -2.880 111.632 114.554 -0.069 0.000 3.022 405 T HA 0.473 4.812 4.350 -0.018 0.000 0.250 405 T C 1.936 176.606 174.700 -0.050 0.000 1.060 405 T CA 0.674 62.751 62.100 -0.039 0.000 1.013 405 T CB -0.318 68.544 68.868 -0.009 0.000 0.982 405 T HN 0.985 nan 8.240 nan 0.000 0.508 406 G N 1.706 110.426 108.800 -0.133 0.000 2.168 406 G HA2 -0.267 3.682 3.960 -0.018 0.000 0.263 406 G HA3 -0.267 3.682 3.960 -0.018 0.000 0.263 406 G C -0.055 174.829 174.900 -0.026 0.000 0.977 406 G CA 0.359 45.405 45.100 -0.090 0.000 0.659 406 G HN 0.671 nan 8.290 nan 0.000 0.533 407 K N 0.106 120.492 120.400 -0.025 0.000 2.118 407 K HA 0.556 4.866 4.320 -0.018 0.000 0.267 407 K C 0.181 176.984 176.600 0.339 0.000 0.991 407 K CA -0.382 56.021 56.287 0.193 0.000 0.916 407 K CB 1.285 33.926 32.500 0.234 0.000 1.041 407 K HN 0.355 nan 8.250 nan 0.000 0.455 408 Q N 3.018 123.123 119.800 0.507 0.000 2.347 408 Q HA 0.465 4.795 4.340 -0.018 0.000 0.271 408 Q C -2.047 174.410 176.000 0.761 0.000 1.064 408 Q CA -0.887 55.244 55.803 0.547 0.000 0.800 408 Q CB 1.423 30.401 28.738 0.400 0.000 1.304 408 Q HN 0.706 nan 8.270 nan 0.000 0.438 409 W N 1.930 123.539 121.300 0.515 0.000 3.256 409 W HA 0.539 5.189 4.660 -0.017 0.000 0.324 409 W C -1.484 175.256 176.519 0.368 0.000 1.196 409 W CA -1.008 56.606 57.345 0.449 0.000 1.206 409 W CB 0.815 30.405 29.460 0.217 0.000 1.385 409 W HN 0.375 nan 8.180 nan 0.000 0.522 410 K N 1.944 122.424 120.400 0.134 0.000 2.436 410 K HA -0.019 4.291 4.320 -0.018 0.000 0.275 410 K C 0.251 176.759 176.600 -0.154 0.000 0.999 410 K CA 0.329 56.325 56.287 -0.486 0.000 0.980 410 K CB 0.919 33.033 32.500 -0.643 0.000 0.919 410 K HN 0.695 nan 8.250 nan 0.000 0.484 411 N N 0.102 118.656 118.700 -0.243 0.000 2.564 411 N HA -0.043 4.686 4.740 -0.018 0.000 0.202 411 N C -0.917 174.522 175.510 -0.118 0.000 1.052 411 N CA 0.320 53.313 53.050 -0.095 0.000 0.872 411 N CB 0.741 39.181 38.487 -0.079 0.000 1.303 411 N HN 0.553 nan 8.380 nan 0.000 0.440 412 S N -1.435 114.148 115.700 -0.195 0.000 2.595 412 S HA 0.554 5.014 4.470 -0.018 0.000 0.270 412 S C -1.600 172.889 174.600 -0.185 0.000 1.145 412 S CA -0.928 57.182 58.200 -0.149 0.000 0.825 412 S CB 1.531 64.678 63.200 -0.089 0.000 1.107 412 S HN -0.120 nan 8.310 nan 0.000 0.461 413 V N 2.114 121.951 119.914 -0.129 0.000 2.577 413 V HA 0.653 4.762 4.120 -0.018 0.000 0.303 413 V C -0.885 175.166 176.094 -0.071 0.000 1.042 413 V CA -0.586 61.643 62.300 -0.118 0.000 0.872 413 V CB 1.697 33.454 31.823 -0.110 0.000 0.998 413 V HN 0.934 nan 8.190 nan 0.000 0.423 414 N N 2.229 120.883 118.700 -0.077 0.000 2.354 414 N HA 0.318 5.048 4.740 -0.018 0.000 0.287 414 N C 0.373 175.832 175.510 -0.085 0.000 1.016 414 N CA -0.036 52.972 53.050 -0.069 0.000 0.871 414 N CB 2.416 40.808 38.487 -0.158 0.000 1.299 414 N HN 0.692 nan 8.380 nan 0.000 0.482 415 S N 1.880 117.576 115.700 -0.007 0.000 2.593 415 S HA 0.081 4.541 4.470 -0.018 0.000 0.236 415 S C 0.715 175.320 174.600 0.007 0.000 0.991 415 S CA -0.230 57.926 58.200 -0.074 0.000 0.963 415 S CB -0.355 62.756 63.200 -0.149 0.000 0.865 415 S HN 0.759 nan 8.310 nan 0.000 0.488 416 H N -1.948 117.074 119.070 -0.081 0.000 3.457 416 H HA 0.278 4.823 4.556 -0.018 0.000 0.255 416 H C 1.538 176.832 175.328 -0.058 0.000 1.082 416 H CA 0.683 56.691 56.048 -0.066 0.000 1.189 416 H CB -0.430 29.296 29.762 -0.060 0.000 1.511 416 H HN 0.328 nan 8.280 nan 0.000 0.527 417 T N 1.367 115.615 114.554 -0.510 0.000 2.867 417 T HA 0.070 4.410 4.350 -0.018 0.000 0.268 417 T C 0.931 175.553 174.700 -0.129 0.000 1.057 417 T CA 0.224 62.127 62.100 -0.328 0.000 1.136 417 T CB -0.262 68.412 68.868 -0.323 0.000 0.874 417 T HN 0.089 nan 8.240 nan 0.000 0.466 418 I N 1.678 122.193 120.570 -0.092 0.000 2.474 418 I HA 0.358 4.517 4.170 -0.018 0.000 0.287 418 I C 1.353 177.450 176.117 -0.033 0.000 1.048 418 I CA 0.314 61.595 61.300 -0.031 0.000 1.383 418 I CB -0.046 37.946 38.000 -0.013 0.000 1.412 418 I HN 0.465 nan 8.210 nan 0.000 0.531 419 G N 6.840 115.634 108.800 -0.010 0.000 2.531 419 G HA2 -0.228 3.721 3.960 -0.018 0.000 0.283 419 G HA3 -0.228 3.721 3.960 -0.018 0.000 0.283 419 G C -0.082 174.784 174.900 -0.058 0.000 1.068 419 G CA -0.529 44.553 45.100 -0.029 0.000 1.273 419 G HN 0.679 nan 8.290 nan 0.000 0.532 420 R N -0.409 120.063 120.500 -0.047 0.000 2.807 420 R HA 0.561 4.891 4.340 -0.018 0.000 0.276 420 R C 0.427 176.684 176.300 -0.071 0.000 0.979 420 R CA -1.220 54.747 56.100 -0.221 0.000 0.928 420 R CB 1.238 31.290 30.300 -0.413 0.000 1.191 420 R HN 0.507 nan 8.270 nan 0.000 0.471 421 Y N 0.383 120.716 120.300 0.056 0.000 3.054 421 Y HA -0.251 4.289 4.550 -0.016 0.000 0.210 421 Y C 0.174 176.150 175.900 0.126 0.000 1.212 421 Y CA -0.324 57.798 58.100 0.036 0.000 1.118 421 Y CB -1.667 36.727 38.460 -0.109 0.000 1.292 421 Y HN 0.473 nan 8.280 nan 0.000 0.533 422 I N 1.268 121.905 120.570 0.112 0.000 2.664 422 I HA -0.023 4.137 4.170 -0.018 0.000 0.284 422 I C 0.540 176.631 176.117 -0.045 0.000 1.154 422 I CA 0.836 62.108 61.300 -0.047 0.000 1.402 422 I CB 0.267 38.182 38.000 -0.141 0.000 1.395 422 I HN 0.201 nan 8.210 nan 0.000 0.545 423 S N 4.099 119.740 115.700 -0.098 0.000 2.568 423 S HA 0.678 5.137 4.470 -0.018 0.000 0.293 423 S C -0.251 174.273 174.600 -0.126 0.000 1.089 423 S CA -0.672 57.425 58.200 -0.172 0.000 0.945 423 S CB 2.491 65.473 63.200 -0.363 0.000 1.077 423 S HN 0.676 nan 8.310 nan 0.000 0.485 424 T N 0.975 115.470 114.554 -0.097 0.000 2.894 424 T HA 0.405 4.744 4.350 -0.018 0.000 0.309 424 T C -1.199 173.619 174.700 0.196 0.000 1.208 424 T CA -0.768 61.368 62.100 0.060 0.000 1.016 424 T CB 1.177 70.013 68.868 -0.053 0.000 1.192 424 T HN 0.624 nan 8.240 nan 0.000 0.491 425 K N 2.400 122.997 120.400 0.330 0.000 2.448 425 K HA 0.518 4.827 4.320 -0.018 0.000 0.278 425 K C 0.269 176.970 176.600 0.168 0.000 1.009 425 K CA -0.290 56.189 56.287 0.320 0.000 0.995 425 K CB 0.366 32.989 32.500 0.205 0.000 0.917 425 K HN 0.674 nan 8.250 nan 0.000 0.481 426 A N 3.370 126.267 122.820 0.128 0.000 2.386 426 A HA 0.198 4.507 4.320 -0.018 0.000 0.248 426 A C -0.347 177.242 177.584 0.008 0.000 1.082 426 A CA -0.630 51.441 52.037 0.056 0.000 0.789 426 A CB 0.636 19.659 19.000 0.039 0.000 1.025 426 A HN 0.566 nan 8.150 nan 0.000 0.490 427 V N 1.985 121.873 119.914 -0.044 0.000 2.446 427 V HA 0.418 4.528 4.120 -0.018 0.000 0.276 427 V C 1.559 177.601 176.094 -0.087 0.000 1.030 427 V CA 1.667 63.884 62.300 -0.137 0.000 1.033 427 V CB -0.167 31.546 31.823 -0.184 0.000 0.993 427 V HN 1.875 nan 8.190 nan 0.000 0.477 428 G N 4.126 112.875 108.800 -0.084 0.000 2.205 428 G HA2 -0.228 3.721 3.960 -0.018 0.000 0.261 428 G HA3 -0.228 3.721 3.960 -0.018 0.000 0.261 428 G C 0.252 175.141 174.900 -0.019 0.000 0.980 428 G CA 0.599 45.669 45.100 -0.049 0.000 0.632 428 G HN 1.440 nan 8.290 nan 0.000 0.533 429 S N -1.760 113.936 115.700 -0.006 0.000 2.776 429 S HA 0.662 5.121 4.470 -0.018 0.000 0.292 429 S C 0.089 174.706 174.600 0.028 0.000 1.187 429 S CA -0.071 58.134 58.200 0.009 0.000 0.834 429 S CB 1.249 64.454 63.200 0.009 0.000 1.199 429 S HN 0.027 nan 8.310 nan 0.000 0.514 430 N N 0.745 119.464 118.700 0.033 0.000 2.268 430 N HA 0.380 5.109 4.740 -0.018 0.000 0.204 430 N C 0.322 175.909 175.510 0.129 0.000 1.124 430 N CA 0.263 53.343 53.050 0.051 0.000 0.838 430 N CB 0.320 38.808 38.487 0.003 0.000 0.994 430 N HN 0.807 nan 8.380 nan 0.000 0.489 431 A N 0.758 123.642 122.820 0.107 0.000 2.425 431 A HA 0.207 4.516 4.320 -0.018 0.000 0.242 431 A C 0.666 178.350 177.584 0.167 0.000 1.077 431 A CA -0.316 51.786 52.037 0.109 0.000 0.781 431 A CB 0.443 19.467 19.000 0.039 0.000 1.020 431 A HN 0.280 nan 8.150 nan 0.000 0.494 432 R N 1.124 121.656 120.500 0.052 0.000 2.265 432 R HA 0.430 4.760 4.340 -0.018 0.000 0.314 432 R C -0.630 175.542 176.300 -0.214 0.000 1.053 432 R CA -0.352 55.577 56.100 -0.285 0.000 0.931 432 R CB 0.443 30.325 30.300 -0.696 0.000 1.024 432 R HN 0.695 nan 8.270 nan 0.000 0.457 433 M N 4.343 123.828 119.600 -0.190 0.000 2.149 433 M HA 0.207 4.677 4.480 -0.018 0.000 0.342 433 M C -1.224 174.995 176.300 -0.134 0.000 1.068 433 M CA -0.508 54.729 55.300 -0.105 0.000 0.991 433 M CB 1.412 33.994 32.600 -0.031 0.000 1.596 433 M HN 0.469 nan 8.290 nan 0.000 0.439 434 D N 4.290 124.634 120.400 -0.093 0.000 2.295 434 D HA 0.263 4.893 4.640 -0.018 0.000 0.248 434 D C 0.154 176.450 176.300 -0.007 0.000 1.154 434 D CA -0.017 53.953 54.000 -0.050 0.000 0.857 434 D CB 1.101 41.896 40.800 -0.009 0.000 1.117 434 D HN 0.611 nan 8.370 nan 0.000 0.468 435 V N 1.458 121.381 119.914 0.014 0.000 3.085 435 V HA 0.139 4.248 4.120 -0.018 0.000 0.345 435 V C 1.499 177.677 176.094 0.139 0.000 1.397 435 V CA -0.249 62.087 62.300 0.061 0.000 1.165 435 V CB -0.108 31.750 31.823 0.059 0.000 1.153 435 V HN 0.415 nan 8.190 nan 0.000 0.495 436 T N 2.111 116.724 114.554 0.098 0.000 2.699 436 T HA -0.220 4.120 4.350 -0.018 0.000 0.268 436 T C 1.609 176.374 174.700 0.107 0.000 1.036 436 T CA 2.381 64.543 62.100 0.104 0.000 1.147 436 T CB -0.452 68.441 68.868 0.040 0.000 0.862 436 T HN 0.880 nan 8.240 nan 0.000 0.446 437 D N 1.245 121.679 120.400 0.055 0.000 2.311 437 D HA -0.140 4.489 4.640 -0.018 0.000 0.212 437 D C 1.713 178.001 176.300 -0.019 0.000 0.972 437 D CA 0.812 54.817 54.000 0.007 0.000 0.887 437 D CB -0.127 40.670 40.800 -0.006 0.000 0.915 437 D HN 0.234 nan 8.370 nan 0.000 0.497 438 K N -0.316 120.099 120.400 0.025 0.000 2.262 438 K HA -0.007 4.302 4.320 -0.018 0.000 0.200 438 K C 1.651 178.186 176.600 -0.109 0.000 1.049 438 K CA 0.338 56.595 56.287 -0.050 0.000 0.979 438 K CB -0.300 32.163 32.500 -0.062 0.000 0.773 438 K HN 0.322 nan 8.250 nan 0.000 0.474 439 Y N 1.408 121.712 120.300 0.007 0.000 2.510 439 Y HA 0.011 4.551 4.550 -0.018 0.000 0.273 439 Y C 0.531 176.433 175.900 0.003 0.000 1.119 439 Y CA 0.223 58.336 58.100 0.023 0.000 1.286 439 Y CB 0.500 38.984 38.460 0.040 0.000 1.061 439 Y HN -0.028 nan 8.280 nan 0.000 0.542 440 K N -2.678 117.792 120.400 0.116 0.000 2.642 440 K HA 0.244 4.554 4.320 -0.018 0.000 0.290 440 K C -1.726 174.910 176.600 0.061 0.000 1.006 440 K CA -0.970 55.386 56.287 0.114 0.000 0.869 440 K CB 0.570 33.130 32.500 0.100 0.000 1.499 440 K HN -0.227 nan 8.250 nan 0.000 0.403 441 Y N 0.694 121.040 120.300 0.077 0.000 2.330 441 Y HA 0.207 4.747 4.550 -0.017 0.000 0.341 441 Y C -1.934 173.994 175.900 0.047 0.000 1.278 441 Y CA -1.462 56.675 58.100 0.062 0.000 1.453 441 Y CB 0.124 38.626 38.460 0.070 0.000 1.342 441 Y HN 0.432 nan 8.280 nan 0.000 0.590 442 P HA -0.064 nan 4.420 nan 0.000 0.262 442 P C -0.758 176.595 177.300 0.089 0.000 1.182 442 P CA 0.261 63.422 63.100 0.101 0.000 0.761 442 P CB 0.397 32.148 31.700 0.084 0.000 0.795 443 E N 2.564 122.797 120.200 0.054 0.000 2.415 443 E HA 0.188 4.527 4.350 -0.018 0.000 0.260 443 E C 1.531 178.137 176.600 0.010 0.000 1.016 443 E CA 1.146 57.570 56.400 0.039 0.000 0.924 443 E CB -0.021 29.705 29.700 0.043 0.000 0.961 443 E HN 0.785 nan 8.360 nan 0.000 0.459 444 G N 2.889 111.688 108.800 -0.000 0.000 2.278 444 G HA2 -0.289 3.661 3.960 -0.018 0.000 0.210 444 G HA3 -0.289 3.661 3.960 -0.018 0.000 0.210 444 G C 0.453 175.350 174.900 -0.004 0.000 1.000 444 G CA 0.165 45.249 45.100 -0.026 0.000 0.635 444 G HN 0.666 nan 8.290 nan 0.000 0.495 445 S N 0.512 116.227 115.700 0.026 0.000 2.585 445 S HA 0.470 4.929 4.470 -0.018 0.000 0.273 445 S C 0.865 175.476 174.600 0.018 0.000 1.339 445 S CA 0.487 58.708 58.200 0.035 0.000 1.028 445 S CB 1.729 64.979 63.200 0.083 0.000 0.906 445 S HN 0.124 nan 8.310 nan 0.000 0.528 446 D N 1.368 121.770 120.400 0.003 0.000 2.144 446 D HA -0.110 4.519 4.640 -0.018 0.000 0.199 446 D C 1.888 178.163 176.300 -0.042 0.000 0.984 446 D CA 1.445 55.437 54.000 -0.014 0.000 0.834 446 D CB -0.102 40.689 40.800 -0.015 0.000 0.955 446 D HN 0.652 nan 8.370 nan 0.000 0.465 447 Q N 0.699 120.451 119.800 -0.081 0.000 2.061 447 Q HA -0.208 4.122 4.340 -0.018 0.000 0.204 447 Q C 1.939 177.800 176.000 -0.232 0.000 0.984 447 Q CA 1.761 57.408 55.803 -0.261 0.000 0.846 447 Q CB -0.406 28.051 28.738 -0.469 0.000 0.902 447 Q HN 0.428 nan 8.270 nan 0.000 0.421 448 E N 0.297 120.474 120.200 -0.037 0.000 2.130 448 E HA -0.220 4.119 4.350 -0.018 0.000 0.196 448 E C 1.523 178.195 176.600 0.120 0.000 0.998 448 E CA 1.304 57.765 56.400 0.101 0.000 0.806 448 E CB -0.033 29.751 29.700 0.139 0.000 0.738 448 E HN 0.057 nan 8.360 nan 0.000 0.459 449 R N 0.300 120.837 120.500 0.062 0.000 2.200 449 R HA 0.101 4.430 4.340 -0.018 0.000 0.208 449 R C 2.269 178.641 176.300 0.120 0.000 1.033 449 R CA 1.231 57.387 56.100 0.092 0.000 1.000 449 R CB -0.434 29.880 30.300 0.022 0.000 0.906 449 R HN 0.496 nan 8.270 nan 0.000 0.462 450 Q N 0.058 119.878 119.800 0.034 0.000 2.046 450 Q HA -0.049 4.281 4.340 -0.018 0.000 0.200 450 Q C 2.029 178.048 176.000 0.032 0.000 0.975 450 Q CA 1.410 57.217 55.803 0.006 0.000 0.836 450 Q CB -0.013 28.683 28.738 -0.071 0.000 0.896 450 Q HN 0.048 nan 8.270 nan 0.000 0.428 451 V N 0.521 120.456 119.914 0.035 0.000 2.515 451 V HA -0.221 3.889 4.120 -0.018 0.000 0.250 451 V C 1.868 178.066 176.094 0.174 0.000 1.058 451 V CA 1.502 63.858 62.300 0.094 0.000 1.064 451 V CB -0.573 31.354 31.823 0.173 0.000 0.675 451 V HN 0.292 nan 8.190 nan 0.000 0.461 452 F N 0.961 121.004 119.950 0.155 0.000 2.102 452 F HA -0.191 4.325 4.527 -0.018 0.000 0.298 452 F C 2.635 178.470 175.800 0.057 0.000 1.105 452 F CA 1.746 59.866 58.000 0.201 0.000 1.239 452 F CB -0.128 38.982 39.000 0.184 0.000 0.991 452 F HN 0.104 nan 8.300 nan 0.000 0.474 453 Q N 0.692 120.620 119.800 0.214 0.000 2.079 453 Q HA -0.242 4.087 4.340 -0.018 0.000 0.200 453 Q C 2.268 178.234 176.000 -0.056 0.000 0.974 453 Q CA 1.724 57.579 55.803 0.087 0.000 0.840 453 Q CB -0.737 28.063 28.738 0.104 0.000 0.898 453 Q HN 0.502 nan 8.270 nan 0.000 0.430 454 K N 0.718 121.085 120.400 -0.056 0.000 2.032 454 K HA -0.151 4.158 4.320 -0.018 0.000 0.209 454 K C 2.036 178.518 176.600 -0.196 0.000 1.048 454 K CA 1.398 57.626 56.287 -0.099 0.000 0.927 454 K CB -0.085 32.374 32.500 -0.070 0.000 0.712 454 K HN 0.131 nan 8.250 nan 0.000 0.441 455 A N 1.212 123.832 122.820 -0.333 0.000 1.873 455 A HA -0.117 4.192 4.320 -0.018 0.000 0.215 455 A C 2.059 179.381 177.584 -0.436 0.000 1.186 455 A CA 1.225 52.938 52.037 -0.541 0.000 0.616 455 A CB -0.615 17.700 19.000 -1.141 0.000 0.823 455 A HN 0.391 nan 8.150 nan 0.000 0.442 456 L N 0.289 121.253 121.223 -0.433 0.000 2.083 456 L HA -0.020 4.310 4.340 -0.018 0.000 0.209 456 L C 2.358 179.122 176.870 -0.177 0.000 1.083 456 L CA 2.153 56.808 54.840 -0.309 0.000 0.752 456 L CB -0.981 40.907 42.059 -0.285 0.000 0.899 456 L HN 0.311 nan 8.230 nan 0.000 0.433 457 G N -0.784 107.927 108.800 -0.149 0.000 2.422 457 G HA2 -0.257 3.692 3.960 -0.018 0.000 0.218 457 G HA3 -0.257 3.692 3.960 -0.018 0.000 0.218 457 G C 1.630 176.470 174.900 -0.101 0.000 1.146 457 G CA 0.767 45.809 45.100 -0.097 0.000 0.769 457 G HN 0.434 nan 8.290 nan 0.000 0.547 458 K N -0.213 120.106 120.400 -0.135 0.000 2.288 458 K HA 0.188 4.498 4.320 -0.018 0.000 0.201 458 K C 2.271 178.802 176.600 -0.114 0.000 1.048 458 K CA 0.300 56.514 56.287 -0.123 0.000 0.956 458 K CB -0.066 32.345 32.500 -0.148 0.000 0.746 458 K HN 0.304 nan 8.250 nan 0.000 0.461 459 L N 0.154 121.301 121.223 -0.128 0.000 2.307 459 L HA 0.002 4.332 4.340 -0.018 0.000 0.211 459 L C 0.864 177.692 176.870 -0.070 0.000 1.099 459 L CA 0.586 55.366 54.840 -0.101 0.000 0.816 459 L CB 0.085 42.074 42.059 -0.116 0.000 0.952 459 L HN -0.049 nan 8.230 nan 0.000 0.455 481 S N 0.405 116.109 115.700 0.008 0.000 2.446 481 S HA 0.094 4.553 4.470 -0.018 0.000 0.225 481 S C 0.947 175.552 174.600 0.009 0.000 1.016 481 S CA 0.283 58.488 58.200 0.007 0.000 0.943 481 S CB 0.173 63.377 63.200 0.007 0.000 0.786 481 S HN 0.407 nan 8.310 nan 0.000 0.508 482 I N 3.284 123.860 120.570 0.010 0.000 2.396 482 I HA 0.412 4.571 4.170 -0.018 0.000 0.292 482 I C -0.044 176.079 176.117 0.009 0.000 0.999 482 I CA -0.913 60.394 61.300 0.011 0.000 1.310 482 I CB 0.785 38.792 38.000 0.013 0.000 1.404 482 I HN 0.181 nan 8.210 nan 0.000 0.496 483 I N 2.007 122.583 120.570 0.010 0.000 2.608 483 I HA 0.950 5.109 4.170 -0.018 0.000 0.295 483 I C -0.150 175.974 176.117 0.012 0.000 1.049 483 I CA -0.516 60.789 61.300 0.009 0.000 1.063 483 I CB 2.287 40.292 38.000 0.008 0.000 1.248 483 I HN 0.546 nan 8.210 nan 0.000 0.424 484 G N 3.815 112.621 108.800 0.010 0.000 2.659 484 G HA2 0.623 4.573 3.960 -0.018 0.000 0.296 484 G HA3 0.623 4.573 3.960 -0.018 0.000 0.296 484 G C -2.008 172.901 174.900 0.014 0.000 1.369 484 G CA -0.838 44.270 45.100 0.015 0.000 0.937 484 G HN 0.835 nan 8.290 nan 0.000 0.485 485 K N 1.060 121.472 120.400 0.021 0.000 2.498 485 K HA 0.566 4.876 4.320 -0.018 0.000 0.254 485 K C -1.350 175.266 176.600 0.026 0.000 0.933 485 K CA -0.781 55.518 56.287 0.021 0.000 0.806 485 K CB 2.162 34.674 32.500 0.020 0.000 1.301 485 K HN 0.373 nan 8.250 nan 0.000 0.432 486 L N 4.007 125.246 121.223 0.026 0.000 2.295 486 L HA 0.485 4.814 4.340 -0.018 0.000 0.285 486 L C -0.359 176.524 176.870 0.022 0.000 1.035 486 L CA -0.505 54.352 54.840 0.028 0.000 0.806 486 L CB 1.363 43.441 42.059 0.033 0.000 1.214 486 L HN 0.523 nan 8.230 nan 0.000 0.426 487 K N 2.548 122.958 120.400 0.016 0.000 2.375 487 K HA 0.534 4.843 4.320 -0.018 0.000 0.249 487 K C -1.266 175.334 176.600 0.001 0.000 0.942 487 K CA -0.915 55.379 56.287 0.010 0.000 0.806 487 K CB 2.970 35.476 32.500 0.010 0.000 1.227 487 K HN 0.173 nan 8.250 nan 0.000 0.430 488 V N 1.853 121.766 119.914 -0.000 0.000 2.488 488 V HA 0.270 4.379 4.120 -0.018 0.000 0.277 488 V C -0.070 176.019 176.094 -0.008 0.000 1.046 488 V CA -0.470 61.826 62.300 -0.007 0.000 0.986 488 V CB 0.978 32.799 31.823 -0.003 0.000 0.989 488 V HN 0.852 nan 8.190 nan 0.000 0.475 489 A N 4.720 127.532 122.820 -0.014 0.000 2.277 489 A HA 0.824 5.133 4.320 -0.018 0.000 0.318 489 A C 0.584 178.163 177.584 -0.009 0.000 1.339 489 A CA 0.270 52.301 52.037 -0.011 0.000 0.875 489 A CB 0.162 19.153 19.000 -0.015 0.000 1.158 489 A HN 1.892 nan 8.150 nan 0.000 0.514 490 G N 1.706 110.503 108.800 -0.006 0.000 2.757 490 G HA2 0.129 4.079 3.960 -0.018 0.000 0.638 490 G HA3 0.129 4.079 3.960 -0.018 0.000 0.638 490 G C 0.006 174.906 174.900 -0.000 0.000 1.344 490 G CA -0.190 44.908 45.100 -0.002 0.000 0.855 490 G HN 2.111 nan 8.290 nan 0.000 0.537 491 M N -0.891 118.710 119.600 0.003 0.000 2.228 491 M HA 0.798 5.267 4.480 -0.018 0.000 0.326 491 M C -0.153 176.156 176.300 0.015 0.000 1.122 491 M CA -0.199 55.105 55.300 0.006 0.000 1.161 491 M CB 0.870 33.472 32.600 0.005 0.000 1.437 491 M HN 0.451 nan 8.290 nan 0.000 0.465 492 L N 2.760 123.993 121.223 0.017 0.000 2.316 492 L HA 0.842 5.172 4.340 -0.018 0.000 0.280 492 L C -0.734 176.162 176.870 0.043 0.000 1.006 492 L CA -0.554 54.300 54.840 0.023 0.000 0.836 492 L CB 1.441 43.503 42.059 0.006 0.000 1.221 492 L HN 0.997 nan 8.230 nan 0.000 0.418 493 A N 2.947 125.812 122.820 0.076 0.000 2.520 493 A HA 0.675 4.984 4.320 -0.018 0.000 0.298 493 A C -0.697 177.007 177.584 0.200 0.000 1.051 493 A CA -0.553 51.548 52.037 0.108 0.000 0.690 493 A CB 1.757 20.800 19.000 0.072 0.000 1.281 493 A HN 0.272 nan 8.150 nan 0.000 0.402 494 V N 2.269 122.342 119.914 0.266 0.000 2.458 494 V HA 0.435 4.544 4.120 -0.018 0.000 0.287 494 V C 1.452 177.767 176.094 0.369 0.000 1.009 494 V CA 1.960 64.523 62.300 0.438 0.000 1.091 494 V CB -0.136 31.999 31.823 0.521 0.000 0.960 494 V HN 2.065 nan 8.190 nan 0.000 0.476 495 G N 4.673 113.616 108.800 0.239 0.000 2.428 495 G HA2 -0.143 3.807 3.960 -0.018 0.000 0.199 495 G HA3 -0.143 3.807 3.960 -0.018 0.000 0.199 495 G C 0.201 175.014 174.900 -0.146 0.000 1.005 495 G CA -0.313 44.594 45.100 -0.321 0.000 0.671 495 G HN 0.569 nan 8.290 nan 0.000 0.485 496 K N 1.348 121.820 120.400 0.119 0.000 2.132 496 K HA 0.553 4.862 4.320 -0.018 0.000 0.241 496 K C 0.425 177.186 176.600 0.267 0.000 1.000 496 K CA -0.428 55.937 56.287 0.131 0.000 0.911 496 K CB 1.252 33.809 32.500 0.095 0.000 1.093 496 K HN 0.550 nan 8.250 nan 0.000 0.460 497 E N 0.016 120.333 120.200 0.196 0.000 2.374 497 E HA 0.193 4.532 4.350 -0.018 0.000 0.260 497 E C -0.836 175.872 176.600 0.180 0.000 1.101 497 E CA -0.780 55.759 56.400 0.232 0.000 0.907 497 E CB 0.834 30.613 29.700 0.131 0.000 1.014 497 E HN 0.026 nan 8.360 nan 0.000 0.427 498 V N 2.552 122.558 119.914 0.154 0.000 2.370 498 V HA 0.225 4.334 4.120 -0.018 0.000 0.279 498 V C -0.480 175.593 176.094 -0.035 0.000 1.029 498 V CA -0.771 61.544 62.300 0.025 0.000 0.870 498 V CB 0.971 32.762 31.823 -0.054 0.000 0.984 498 V HN 0.637 nan 8.190 nan 0.000 0.451 499 N N 5.810 124.487 118.700 -0.038 0.000 2.399 499 N HA 0.692 5.421 4.740 -0.018 0.000 0.280 499 N C -1.075 174.398 175.510 -0.062 0.000 1.008 499 N CA -0.303 52.712 53.050 -0.057 0.000 0.894 499 N CB 2.518 40.989 38.487 -0.028 0.000 1.273 499 N HN 0.473 nan 8.380 nan 0.000 0.486 500 L N 0.785 121.954 121.223 -0.090 0.000 2.277 500 L HA 0.732 5.062 4.340 -0.018 0.000 0.254 500 L C -0.645 176.197 176.870 -0.048 0.000 1.044 500 L CA -1.063 53.738 54.840 -0.065 0.000 0.842 500 L CB 2.279 44.288 42.059 -0.083 0.000 1.422 500 L HN 0.022 nan 8.230 nan 0.000 0.422 501 V N 1.603 121.509 119.914 -0.013 0.000 2.777 501 V HA 0.328 4.437 4.120 -0.018 0.000 0.306 501 V C -1.091 175.030 176.094 0.044 0.000 1.112 501 V CA -0.447 61.863 62.300 0.017 0.000 0.917 501 V CB 2.335 34.165 31.823 0.011 0.000 1.018 501 V HN 0.457 nan 8.190 nan 0.000 0.426 502 L N 5.736 127.012 121.223 0.089 0.000 2.261 502 L HA 0.550 4.879 4.340 -0.018 0.000 0.289 502 L C -0.555 176.362 176.870 0.080 0.000 1.059 502 L CA 0.263 55.157 54.840 0.089 0.000 0.816 502 L CB 0.782 42.914 42.059 0.121 0.000 1.191 502 L HN 0.688 nan 8.230 nan 0.000 0.431 503 L N 6.436 127.691 121.223 0.052 0.000 2.265 503 L HA 0.507 4.836 4.340 -0.018 0.000 0.288 503 L C -1.139 175.754 176.870 0.039 0.000 1.058 503 L CA -0.355 54.511 54.840 0.044 0.000 0.809 503 L CB 0.708 42.785 42.059 0.031 0.000 1.179 503 L HN 0.656 nan 8.230 nan 0.000 0.429 504 L N 5.422 126.670 121.223 0.042 0.000 2.341 504 L HA 0.640 4.969 4.340 -0.018 0.000 0.267 504 L C -0.744 176.143 176.870 0.028 0.000 1.009 504 L CA -0.828 54.032 54.840 0.034 0.000 0.819 504 L CB 2.168 44.250 42.059 0.039 0.000 1.323 504 L HN 0.528 nan 8.230 nan 0.000 0.425 505 K N 1.478 121.891 120.400 0.022 0.000 2.543 505 K HA 0.300 4.610 4.320 -0.018 0.000 0.255 505 K C -1.508 175.102 176.600 0.016 0.000 0.934 505 K CA -0.728 55.570 56.287 0.019 0.000 0.810 505 K CB 2.007 34.517 32.500 0.016 0.000 1.315 505 K HN 0.516 nan 8.250 nan 0.000 0.433 506 N N 4.678 123.387 118.700 0.015 0.000 2.439 506 N HA 0.207 4.936 4.740 -0.018 0.000 0.249 506 N C 0.102 175.618 175.510 0.010 0.000 1.003 506 N CA -0.353 52.704 53.050 0.012 0.000 0.942 506 N CB 0.606 39.101 38.487 0.013 0.000 1.115 506 N HN 0.637 nan 8.380 nan 0.000 0.505 507 L N 0.980 122.208 121.223 0.008 0.000 2.591 507 L HA 0.174 4.503 4.340 -0.018 0.000 0.228 507 L C 1.142 178.015 176.870 0.005 0.000 1.133 507 L CA -0.080 54.764 54.840 0.006 0.000 0.880 507 L CB -0.413 41.649 42.059 0.005 0.000 1.033 507 L HN 0.432 nan 8.230 nan 0.000 0.450 508 S N 0.681 116.385 115.700 0.006 0.000 2.624 508 S HA 0.142 4.602 4.470 -0.018 0.000 0.263 508 S C 1.425 176.028 174.600 0.005 0.000 1.287 508 S CA -0.549 57.654 58.200 0.005 0.000 0.990 508 S CB 0.907 64.110 63.200 0.005 0.000 0.950 508 S HN 0.462 nan 8.310 nan 0.000 0.561 509 R N 0.644 121.146 120.500 0.004 0.000 2.280 509 R HA 0.306 4.635 4.340 -0.018 0.000 0.195 509 R C -0.733 175.569 176.300 0.004 0.000 0.935 509 R CA 0.027 56.129 56.100 0.004 0.000 1.033 509 R CB -0.161 30.141 30.300 0.003 0.000 0.964 509 R HN 0.370 nan 8.270 nan 0.000 0.489 510 D N 1.152 121.555 120.400 0.004 0.000 2.340 510 D HA 0.209 4.838 4.640 -0.018 0.000 0.240 510 D C -0.679 175.625 176.300 0.006 0.000 1.001 510 D CA -0.540 53.462 54.000 0.005 0.000 0.888 510 D CB 2.052 42.854 40.800 0.004 0.000 1.310 510 D HN -0.132 nan 8.370 nan 0.000 0.474 511 T N 2.332 116.890 114.554 0.007 0.000 2.916 511 T HA 0.182 4.521 4.350 -0.018 0.000 0.303 511 T C 0.261 174.966 174.700 0.008 0.000 1.025 511 T CA -0.093 62.012 62.100 0.008 0.000 1.142 511 T CB 0.463 69.336 68.868 0.009 0.000 0.947 511 T HN -0.003 nan 8.240 nan 0.000 0.544 512 K N 2.323 122.729 120.400 0.010 0.000 2.375 512 K HA 0.482 4.791 4.320 -0.018 0.000 0.249 512 K C -0.441 176.166 176.600 0.013 0.000 0.942 512 K CA -0.733 55.561 56.287 0.010 0.000 0.806 512 K CB 2.179 34.685 32.500 0.010 0.000 1.227 512 K HN 0.428 nan 8.250 nan 0.000 0.430 513 T N 1.076 115.637 114.554 0.012 0.000 2.756 513 T HA 0.290 4.630 4.350 -0.018 0.000 0.290 513 T C -0.701 174.008 174.700 0.014 0.000 0.985 513 T CA -0.519 61.590 62.100 0.014 0.000 0.955 513 T CB 1.042 69.918 68.868 0.012 0.000 0.930 513 T HN 0.259 nan 8.240 nan 0.000 0.451 514 V N 4.492 124.416 119.914 0.016 0.000 2.448 514 V HA 0.557 4.667 4.120 -0.018 0.000 0.295 514 V C -0.193 175.909 176.094 0.013 0.000 1.025 514 V CA -0.321 61.989 62.300 0.015 0.000 0.859 514 V CB 1.876 33.708 31.823 0.016 0.000 0.988 514 V HN 0.912 nan 8.190 nan 0.000 0.431 515 T N 6.563 121.124 114.554 0.011 0.000 2.744 515 T HA 0.489 4.829 4.350 -0.018 0.000 0.291 515 T C -0.413 174.285 174.700 -0.002 0.000 0.957 515 T CA -0.159 61.945 62.100 0.006 0.000 1.002 515 T CB 1.090 69.965 68.868 0.012 0.000 0.919 515 T HN 0.518 nan 8.240 nan 0.000 0.468 516 V N 5.785 125.685 119.914 -0.024 0.000 2.334 516 V HA 0.385 4.495 4.120 -0.018 0.000 0.281 516 V C -0.199 175.860 176.094 -0.059 0.000 1.016 516 V CA -1.053 61.221 62.300 -0.044 0.000 0.832 516 V CB 1.060 32.833 31.823 -0.083 0.000 0.999 516 V HN 0.754 nan 8.190 nan 0.000 0.439 517 N N 6.128 124.812 118.700 -0.026 0.000 2.408 517 N HA 0.714 5.443 4.740 -0.018 0.000 0.280 517 N C -0.724 174.790 175.510 0.008 0.000 1.002 517 N CA -0.295 52.742 53.050 -0.021 0.000 0.907 517 N CB 2.106 40.597 38.487 0.006 0.000 1.161 517 N HN 0.559 nan 8.380 nan 0.000 0.488 518 M N 0.415 120.017 119.600 0.003 0.000 2.591 518 M HA 0.511 4.981 4.480 -0.018 0.000 0.306 518 M C -0.002 176.363 176.300 0.108 0.000 1.190 518 M CA -0.714 54.658 55.300 0.120 0.000 0.889 518 M CB 2.565 35.330 32.600 0.275 0.000 1.728 518 M HN 0.530 nan 8.290 nan 0.000 0.458 519 T N -1.128 113.609 114.554 0.305 0.000 2.843 519 T HA 0.920 5.260 4.350 -0.018 0.000 0.302 519 T C -1.582 173.438 174.700 0.533 0.000 1.232 519 T CA -0.941 61.364 62.100 0.341 0.000 1.009 519 T CB 1.998 71.094 68.868 0.380 0.000 1.254 519 T HN 0.898 nan 8.240 nan 0.000 0.504 520 A N 0.886 123.996 122.820 0.483 0.000 2.385 520 A HA 0.675 4.985 4.320 -0.018 0.000 0.290 520 A C -1.843 175.893 177.584 0.254 0.000 1.094 520 A CA -0.872 51.411 52.037 0.411 0.000 0.729 520 A CB 0.645 19.892 19.000 0.413 0.000 1.194 520 A HN 0.722 nan 8.150 nan 0.000 0.442 521 W N 1.635 123.026 121.300 0.153 0.000 2.656 521 W HA 0.546 5.195 4.660 -0.018 0.000 0.327 521 W C 0.585 177.175 176.519 0.118 0.000 1.041 521 W CA -0.104 57.310 57.345 0.114 0.000 1.229 521 W CB 2.136 31.640 29.460 0.074 0.000 1.397 521 W HN 0.763 nan 8.180 nan 0.000 0.479 522 T N 1.877 116.630 114.554 0.333 0.000 2.907 522 T HA 0.708 5.047 4.350 -0.018 0.000 0.298 522 T C -0.187 174.686 174.700 0.289 0.000 1.017 522 T CA -0.413 61.851 62.100 0.274 0.000 1.118 522 T CB 0.782 69.811 68.868 0.270 0.000 0.948 522 T HN 0.437 nan 8.240 nan 0.000 0.531 523 I N -0.939 119.765 120.570 0.222 0.000 3.191 523 I HA 0.643 4.802 4.170 -0.018 0.000 0.313 523 I C -1.087 175.125 176.117 0.159 0.000 1.193 523 I CA -1.852 59.551 61.300 0.172 0.000 0.968 523 I CB 1.821 39.896 38.000 0.125 0.000 1.262 523 I HN 0.387 nan 8.210 nan 0.000 0.456 524 I N 2.362 122.994 120.570 0.103 0.000 2.577 524 I HA 0.111 4.270 4.170 -0.018 0.000 0.300 524 I C 0.952 177.095 176.117 0.044 0.000 0.990 524 I CA -0.312 61.066 61.300 0.128 0.000 1.283 524 I CB 1.117 39.162 38.000 0.075 0.000 1.411 524 I HN 0.920 nan 8.210 nan 0.000 0.515 525 Y N 3.498 123.842 120.300 0.073 0.000 2.465 525 Y HA -0.210 4.330 4.550 -0.016 0.000 0.289 525 Y C 1.423 177.198 175.900 -0.207 0.000 1.150 525 Y CA 1.500 59.595 58.100 -0.009 0.000 1.293 525 Y CB -0.925 37.534 38.460 -0.002 0.000 0.977 525 Y HN 0.722 nan 8.280 nan 0.000 0.556 526 N N -0.653 117.371 118.700 -1.127 0.000 2.336 526 N HA 0.257 4.986 4.740 -0.018 0.000 0.189 526 N C 1.449 176.464 175.510 -0.825 0.000 1.113 526 N CA 0.402 52.543 53.050 -1.515 0.000 0.858 526 N CB 0.354 37.366 38.487 -2.459 0.000 0.970 526 N HN 0.449 nan 8.380 nan 0.000 0.471 527 G N -0.206 108.343 108.800 -0.418 0.000 2.201 527 G HA2 -0.253 3.696 3.960 -0.018 0.000 0.212 527 G HA3 -0.253 3.696 3.960 -0.018 0.000 0.212 527 G C 0.068 174.847 174.900 -0.202 0.000 0.994 527 G CA 0.040 45.000 45.100 -0.233 0.000 0.644 527 G HN 0.348 nan 8.290 nan 0.000 0.508 528 T N 2.432 116.846 114.554 -0.233 0.000 2.871 528 T HA 0.388 4.727 4.350 -0.018 0.000 0.296 528 T C 0.848 175.516 174.700 -0.054 0.000 0.998 528 T CA 0.316 62.332 62.100 -0.139 0.000 1.162 528 T CB 0.666 69.475 68.868 -0.097 0.000 0.947 528 T HN 0.349 nan 8.240 nan 0.000 0.536 529 L N 4.436 125.621 121.223 -0.064 0.000 2.319 529 L HA 0.226 4.556 4.340 -0.018 0.000 0.280 529 L C 1.265 178.235 176.870 0.167 0.000 1.099 529 L CA -0.522 54.323 54.840 0.008 0.000 0.828 529 L CB 0.917 42.824 42.059 -0.254 0.000 1.150 529 L HN 0.519 nan 8.230 nan 0.000 0.442 530 V N 1.755 121.854 119.914 0.308 0.000 2.502 530 V HA 0.150 4.259 4.120 -0.018 0.000 0.234 530 V C 0.271 176.608 176.094 0.405 0.000 1.072 530 V CA 0.464 62.948 62.300 0.307 0.000 1.094 530 V CB -0.053 31.932 31.823 0.270 0.000 0.761 530 V HN 0.745 nan 8.190 nan 0.000 0.489 531 H N -0.157 119.050 119.070 0.229 0.000 3.068 531 H HA 0.271 4.817 4.556 -0.018 0.000 0.342 531 H C -1.261 173.662 175.328 -0.676 0.000 1.284 531 H CA -0.552 55.352 56.048 -0.240 0.000 1.181 531 H CB 2.135 31.616 29.762 -0.467 0.000 1.898 531 H HN 0.408 nan 8.280 nan 0.000 0.540 532 E N 2.483 121.720 120.200 -1.605 0.000 2.316 532 E HA 0.226 4.566 4.350 -0.018 0.000 0.275 532 E C 0.250 176.560 176.600 -0.484 0.000 1.029 532 E CA -0.160 55.386 56.400 -1.424 0.000 0.871 532 E CB 0.799 29.626 29.700 -1.455 0.000 1.022 532 E HN 0.417 nan 8.360 nan 0.000 0.418 533 V N 1.895 121.697 119.914 -0.187 0.000 3.477 533 V HA 0.420 4.530 4.120 -0.018 0.000 0.297 533 V C -0.291 175.934 176.094 0.218 0.000 1.433 533 V CA -0.479 61.873 62.300 0.086 0.000 1.052 533 V CB -0.596 31.371 31.823 0.240 0.000 0.895 533 V HN 0.690 nan 8.190 nan 0.000 0.438 534 W N 1.772 123.023 121.300 -0.081 0.000 3.901 534 W HA 0.576 5.226 4.660 -0.017 0.000 0.274 534 W C -1.764 174.740 176.519 -0.025 0.000 1.278 534 W CA -0.674 56.660 57.345 -0.018 0.000 1.235 534 W CB 1.149 30.638 29.460 0.048 0.000 1.261 534 W HN 0.211 nan 8.180 nan 0.000 0.546 535 K N 3.852 123.649 120.400 -1.004 0.000 2.536 535 K HA 0.812 5.122 4.320 -0.018 0.000 0.269 535 K C -2.054 173.765 176.600 -1.302 0.000 0.965 535 K CA -0.859 54.852 56.287 -0.960 0.000 0.860 535 K CB 2.756 35.010 32.500 -0.412 0.000 1.423 535 K HN 0.267 nan 8.250 nan 0.000 0.438 536 D N -0.195 119.665 120.400 -0.901 0.000 2.685 536 D HA 0.402 5.032 4.640 -0.018 0.000 0.236 536 D C -1.723 174.435 176.300 -0.237 0.000 1.233 536 D CA -0.163 53.532 54.000 -0.508 0.000 0.760 536 D CB 2.604 43.170 40.800 -0.390 0.000 1.410 536 D HN 0.570 nan 8.370 nan 0.000 0.439 537 S N 0.086 115.709 115.700 -0.129 0.000 2.548 537 S HA 1.019 5.478 4.470 -0.018 0.000 0.286 537 S C -1.258 173.310 174.600 -0.053 0.000 1.098 537 S CA -0.489 57.656 58.200 -0.092 0.000 0.930 537 S CB 1.810 64.973 63.200 -0.063 0.000 1.070 537 S HN 0.723 nan 8.310 nan 0.000 0.480 538 A N 1.451 124.230 122.820 -0.068 0.000 2.589 538 A HA 0.767 5.076 4.320 -0.018 0.000 0.296 538 A C -0.941 176.639 177.584 -0.008 0.000 1.062 538 A CA -0.683 51.346 52.037 -0.013 0.000 0.686 538 A CB 1.484 20.487 19.000 0.005 0.000 1.282 538 A HN 0.548 nan 8.150 nan 0.000 0.404 539 T N 2.530 117.097 114.554 0.021 0.000 2.792 539 T HA 0.649 4.988 4.350 -0.018 0.000 0.280 539 T C -0.263 174.456 174.700 0.033 0.000 0.990 539 T CA -0.026 62.086 62.100 0.020 0.000 0.960 539 T CB 0.693 69.571 68.868 0.018 0.000 0.939 539 T HN 0.575 nan 8.240 nan 0.000 0.439 540 M N 1.918 121.536 119.600 0.031 0.000 2.602 540 M HA 0.520 4.989 4.480 -0.018 0.000 0.312 540 M C -0.175 176.142 176.300 0.028 0.000 1.181 540 M CA -0.810 54.513 55.300 0.037 0.000 0.910 540 M CB 2.388 35.016 32.600 0.045 0.000 1.723 540 M HN 0.496 nan 8.290 nan 0.000 0.459 541 S N 3.025 118.741 115.700 0.028 0.000 2.530 541 S HA 0.706 5.166 4.470 -0.018 0.000 0.322 541 S C -1.259 173.355 174.600 0.023 0.000 1.085 541 S CA -0.668 57.545 58.200 0.022 0.000 1.096 541 S CB 0.340 63.551 63.200 0.020 0.000 0.988 541 S HN 0.605 nan 8.310 nan 0.000 0.466 542 L N 4.235 125.471 121.223 0.020 0.000 2.341 542 L HA 0.566 4.896 4.340 -0.018 0.000 0.278 542 L C -0.133 176.747 176.870 0.016 0.000 1.005 542 L CA -1.001 53.851 54.840 0.020 0.000 0.818 542 L CB 1.699 43.770 42.059 0.021 0.000 1.259 542 L HN 0.539 nan 8.230 nan 0.000 0.418 543 D N 2.849 123.258 120.400 0.015 0.000 2.411 543 D HA 0.248 4.878 4.640 -0.018 0.000 0.251 543 D C -2.346 173.960 176.300 0.011 0.000 1.201 543 D CA -1.304 52.703 54.000 0.012 0.000 0.996 543 D CB 0.713 41.520 40.800 0.011 0.000 1.101 543 D HN 0.181 nan 8.370 nan 0.000 0.504 544 P HA 0.018 nan 4.420 nan 0.000 0.263 544 P C 0.060 177.366 177.300 0.008 0.000 1.195 544 P CA 0.797 63.902 63.100 0.008 0.000 0.762 544 P CB 0.447 32.151 31.700 0.006 0.000 0.799 545 E N 0.017 120.222 120.200 0.009 0.000 3.916 545 E HA -0.256 4.083 4.350 -0.018 0.000 0.331 545 E C 0.145 176.751 176.600 0.011 0.000 0.729 545 E CA 1.197 57.602 56.400 0.009 0.000 1.222 545 E CB -1.710 27.995 29.700 0.007 0.000 1.633 545 E HN 0.673 nan 8.360 nan 0.000 0.437 546 E N 0.886 121.094 120.200 0.012 0.000 2.384 546 E HA 0.095 4.434 4.350 -0.018 0.000 0.266 546 E C -0.503 176.107 176.600 0.018 0.000 1.012 546 E CA 0.217 56.626 56.400 0.015 0.000 0.901 546 E CB 0.481 30.191 29.700 0.016 0.000 0.967 546 E HN 0.142 nan 8.360 nan 0.000 0.435 547 E N 1.850 122.061 120.200 0.019 0.000 2.171 547 E HA 0.563 4.902 4.350 -0.018 0.000 0.271 547 E C -1.112 175.504 176.600 0.027 0.000 0.916 547 E CA -0.874 55.539 56.400 0.022 0.000 0.774 547 E CB 1.925 31.636 29.700 0.019 0.000 1.128 547 E HN 0.517 nan 8.360 nan 0.000 0.403 548 A N 3.097 125.938 122.820 0.035 0.000 2.430 548 A HA 0.638 4.947 4.320 -0.018 0.000 0.300 548 A C -0.931 176.687 177.584 0.056 0.000 1.124 548 A CA -0.709 51.355 52.037 0.046 0.000 0.766 548 A CB 1.466 20.498 19.000 0.055 0.000 1.328 548 A HN 0.627 nan 8.150 nan 0.000 0.424 549 E N 0.834 121.073 120.200 0.065 0.000 2.275 549 E HA 0.287 4.626 4.350 -0.018 0.000 0.270 549 E C -1.778 174.886 176.600 0.107 0.000 0.882 549 E CA -0.581 55.864 56.400 0.075 0.000 0.758 549 E CB 2.121 31.845 29.700 0.041 0.000 1.195 549 E HN 0.651 nan 8.360 nan 0.000 0.419 550 H N 4.234 123.331 119.070 0.045 0.000 2.638 550 H HA 0.279 4.825 4.556 -0.018 0.000 0.317 550 H C -2.528 172.835 175.328 0.058 0.000 1.006 550 H CA -2.129 53.958 56.048 0.065 0.000 1.222 550 H CB 1.474 31.289 29.762 0.089 0.000 1.419 550 H HN 0.277 nan 8.280 nan 0.000 0.489 551 P HA 0.136 nan 4.420 nan 0.000 0.271 551 P C -0.278 176.982 177.300 -0.067 0.000 1.220 551 P CA -0.023 63.011 63.100 -0.111 0.000 0.768 551 P CB 1.336 32.959 31.700 -0.127 0.000 0.848 552 I N 3.606 124.113 120.570 -0.105 0.000 2.390 552 I HA 0.322 4.481 4.170 -0.018 0.000 0.283 552 I C 0.523 176.403 176.117 -0.394 0.000 1.016 552 I CA -0.518 60.569 61.300 -0.356 0.000 1.151 552 I CB 1.482 39.208 38.000 -0.457 0.000 1.293 552 I HN 0.228 nan 8.210 nan 0.000 0.458 553 K N 8.149 128.317 120.400 -0.386 0.000 2.413 553 K HA 0.654 4.964 4.320 -0.018 0.000 0.257 553 K C -1.385 175.069 176.600 -0.244 0.000 0.946 553 K CA -0.509 55.645 56.287 -0.223 0.000 0.823 553 K CB 1.549 34.013 32.500 -0.059 0.000 1.109 553 K HN 0.556 nan 8.250 nan 0.000 0.427 554 I N 3.702 124.185 120.570 -0.144 0.000 2.410 554 I HA 0.153 4.313 4.170 -0.018 0.000 0.286 554 I C 0.238 176.474 176.117 0.198 0.000 1.009 554 I CA -0.818 60.502 61.300 0.033 0.000 1.111 554 I CB 1.912 39.941 38.000 0.050 0.000 1.262 554 I HN 0.629 nan 8.210 nan 0.000 0.443 555 S N 4.777 120.581 115.700 0.173 0.000 2.632 555 S HA 0.141 4.600 4.470 -0.018 0.000 0.267 555 S C 0.985 175.588 174.600 0.005 0.000 1.276 555 S CA -0.270 58.009 58.200 0.133 0.000 0.998 555 S CB 0.991 64.239 63.200 0.080 0.000 0.953 555 S HN 0.640 nan 8.310 nan 0.000 0.547 556 Y N 2.101 122.268 120.300 -0.222 0.000 2.165 556 Y HA -0.103 4.437 4.550 -0.017 0.000 0.286 556 Y C 2.464 178.011 175.900 -0.587 0.000 1.155 556 Y CA 1.943 59.644 58.100 -0.666 0.000 1.164 556 Y CB -1.159 37.122 38.460 -0.298 0.000 0.978 556 Y HN 0.840 nan 8.280 nan 0.000 0.513 557 A N 0.227 122.817 122.820 -0.382 0.000 1.908 557 A HA -0.274 4.036 4.320 -0.018 0.000 0.218 557 A C 2.159 179.558 177.584 -0.309 0.000 1.181 557 A CA 2.020 53.835 52.037 -0.370 0.000 0.627 557 A CB -0.822 18.097 19.000 -0.135 0.000 0.818 557 A HN 0.683 nan 8.150 nan 0.000 0.445 558 Q N -1.720 117.983 119.800 -0.162 0.000 2.061 558 Q HA -0.217 4.113 4.340 -0.018 0.000 0.204 558 Q C 2.000 178.036 176.000 0.061 0.000 0.984 558 Q CA 2.116 57.921 55.803 0.004 0.000 0.846 558 Q CB -0.340 28.479 28.738 0.134 0.000 0.902 558 Q HN 1.047 nan 8.270 nan 0.000 0.421 559 Y N -0.092 120.218 120.300 0.017 0.000 2.509 559 Y HA 0.142 4.681 4.550 -0.018 0.000 0.270 559 Y C 1.771 177.634 175.900 -0.063 0.000 1.103 559 Y CA 0.554 58.688 58.100 0.055 0.000 1.278 559 Y CB -0.516 38.000 38.460 0.094 0.000 1.087 559 Y HN 0.066 nan 8.280 nan 0.000 0.542 560 E N 1.810 121.639 120.200 -0.619 0.000 2.147 560 E HA -0.303 4.037 4.350 -0.018 0.000 0.199 560 E C 2.129 178.526 176.600 -0.339 0.000 1.005 560 E CA 2.041 58.100 56.400 -0.568 0.000 0.810 560 E CB -0.499 28.369 29.700 -1.386 0.000 0.736 560 E HN 0.552 nan 8.360 nan 0.000 0.460 561 R N -0.935 119.308 120.500 -0.427 0.000 2.148 561 R HA -0.082 4.248 4.340 -0.018 0.000 0.227 561 R C 0.919 176.771 176.300 -0.748 0.000 1.103 561 R CA 1.383 57.103 56.100 -0.635 0.000 0.983 561 R CB -0.065 29.705 30.300 -0.884 0.000 0.874 561 R HN 0.402 nan 8.270 nan 0.000 0.451 562 Y N -0.859 119.403 120.300 -0.062 0.000 2.481 562 Y HA 0.196 4.735 4.550 -0.018 0.000 0.247 562 Y C -0.049 175.902 175.900 0.084 0.000 1.151 562 Y CA -0.833 57.258 58.100 -0.014 0.000 1.238 562 Y CB 0.535 38.974 38.460 -0.035 0.000 1.179 562 Y HN -0.022 nan 8.280 nan 0.000 0.524 563 L N 2.002 123.354 121.223 0.215 0.000 2.380 563 L HA 0.278 4.607 4.340 -0.018 0.000 0.273 563 L C -0.231 176.743 176.870 0.173 0.000 1.138 563 L CA -0.112 54.865 54.840 0.228 0.000 0.832 563 L CB 0.342 42.582 42.059 0.302 0.000 1.124 563 L HN -0.113 nan 8.230 nan 0.000 0.454 564 K N 1.827 122.340 120.400 0.188 0.000 2.267 564 K HA 0.357 4.667 4.320 -0.018 0.000 0.236 564 K C 1.280 178.007 176.600 0.212 0.000 1.030 564 K CA 0.205 56.606 56.287 0.190 0.000 0.930 564 K CB 1.246 33.872 32.500 0.210 0.000 1.182 564 K HN 0.697 nan 8.250 nan 0.000 0.474 565 S N -0.074 115.767 115.700 0.236 0.000 2.440 565 S HA -0.182 4.277 4.470 -0.018 0.000 0.240 565 S C 0.966 175.697 174.600 0.219 0.000 1.014 565 S CA 1.485 59.818 58.200 0.220 0.000 0.980 565 S CB -0.274 63.058 63.200 0.219 0.000 0.775 565 S HN 0.478 nan 8.310 nan 0.000 0.499 566 D N 2.014 122.567 120.400 0.254 0.000 2.218 566 D HA -0.088 4.541 4.640 -0.018 0.000 0.204 566 D C 0.143 176.568 176.300 0.208 0.000 0.976 566 D CA 0.821 54.976 54.000 0.259 0.000 0.853 566 D CB -0.400 40.588 40.800 0.313 0.000 0.939 566 D HN 0.356 nan 8.370 nan 0.000 0.481 567 N N 0.000 118.815 118.700 0.192 0.000 2.725 567 N HA -0.181 4.548 4.740 -0.018 0.000 0.249 567 N C -0.467 175.120 175.510 0.128 0.000 1.103 567 N CA 0.757 53.902 53.050 0.158 0.000 0.707 567 N CB -1.312 37.267 38.487 0.154 0.000 1.043 567 N HN 0.400 nan 8.380 nan 0.000 0.553 568 M N 0.390 120.080 119.600 0.151 0.000 2.436 568 M HA 0.560 5.029 4.480 -0.018 0.000 0.331 568 M C 0.067 176.444 176.300 0.128 0.000 1.135 568 M CA -0.451 54.934 55.300 0.141 0.000 0.987 568 M CB 2.037 34.749 32.600 0.188 0.000 1.687 568 M HN -0.066 nan 8.290 nan 0.000 0.445 569 I N 1.402 122.035 120.570 0.105 0.000 2.582 569 I HA 0.469 4.628 4.170 -0.018 0.000 0.292 569 I C -0.572 175.634 176.117 0.148 0.000 1.066 569 I CA -0.873 60.501 61.300 0.122 0.000 1.053 569 I CB 2.380 40.410 38.000 0.050 0.000 1.241 569 I HN 0.619 nan 8.210 nan 0.000 0.421 570 R N 6.448 127.072 120.500 0.207 0.000 2.198 570 R HA 0.511 4.841 4.340 -0.018 0.000 0.339 570 R C -1.169 175.277 176.300 0.244 0.000 1.020 570 R CA -0.311 55.914 56.100 0.209 0.000 0.864 570 R CB 0.444 30.870 30.300 0.209 0.000 1.105 570 R HN 0.444 nan 8.270 nan 0.000 0.463 571 I N 4.214 124.897 120.570 0.188 0.000 2.353 571 I HA 0.359 4.518 4.170 -0.018 0.000 0.293 571 I C -0.137 176.092 176.117 0.186 0.000 0.992 571 I CA -0.356 61.059 61.300 0.192 0.000 1.268 571 I CB 1.455 39.521 38.000 0.110 0.000 1.387 571 I HN 0.658 nan 8.210 nan 0.000 0.478 572 T N 4.646 119.332 114.554 0.220 0.000 2.909 572 T HA 0.780 5.119 4.350 -0.018 0.000 0.299 572 T C -0.592 174.174 174.700 0.111 0.000 1.073 572 T CA -0.674 61.507 62.100 0.135 0.000 0.999 572 T CB 2.384 71.356 68.868 0.173 0.000 1.098 572 T HN 0.714 nan 8.240 nan 0.000 0.477 573 A N 2.017 124.844 122.820 0.012 0.000 2.414 573 A HA 0.694 5.004 4.320 -0.018 0.000 0.286 573 A C -0.944 176.611 177.584 -0.048 0.000 1.073 573 A CA -0.598 51.448 52.037 0.015 0.000 0.727 573 A CB 1.047 20.067 19.000 0.033 0.000 1.215 573 A HN 0.658 nan 8.150 nan 0.000 0.430 574 V N 2.212 122.107 119.914 -0.031 0.000 2.328 574 V HA 0.277 4.386 4.120 -0.018 0.000 0.278 574 V C -0.251 175.840 176.094 -0.004 0.000 1.021 574 V CA -0.485 61.793 62.300 -0.036 0.000 0.838 574 V CB 0.660 32.476 31.823 -0.011 0.000 0.999 574 V HN 0.944 nan 8.190 nan 0.000 0.447 575 C N 5.229 124.527 119.300 -0.003 0.000 2.303 575 C HA 0.728 5.177 4.460 -0.018 0.000 0.326 575 C C 0.195 175.200 174.990 0.025 0.000 1.285 575 C CA -0.981 58.042 59.018 0.008 0.000 1.675 575 C CB 0.587 28.329 27.740 0.004 0.000 2.289 575 C HN 0.831 nan 8.230 nan 0.000 0.512 576 K N 2.221 122.638 120.400 0.030 0.000 2.345 576 K HA 0.778 5.087 4.320 -0.018 0.000 0.255 576 K C -1.354 175.263 176.600 0.027 0.000 0.934 576 K CA -0.306 56.005 56.287 0.040 0.000 0.801 576 K CB 1.227 33.761 32.500 0.056 0.000 1.137 576 K HN 0.494 nan 8.250 nan 0.000 0.424 577 V N 6.240 126.169 119.914 0.025 0.000 2.604 577 V HA 0.478 4.587 4.120 -0.018 0.000 0.305 577 V C -2.288 173.814 176.094 0.012 0.000 1.043 577 V CA -2.359 59.951 62.300 0.016 0.000 0.888 577 V CB 1.857 33.689 31.823 0.014 0.000 0.995 577 V HN 0.795 nan 8.190 nan 0.000 0.429 578 P HA 0.086 nan 4.420 nan 0.000 0.261 578 P C 0.015 177.312 177.300 -0.004 0.000 1.173 578 P CA 0.792 63.892 63.100 -0.000 0.000 0.760 578 P CB 0.205 31.904 31.700 -0.001 0.000 0.783 579 D N -0.255 120.137 120.400 -0.012 0.000 2.837 579 D HA -0.171 4.458 4.640 -0.018 0.000 0.195 579 D C -0.116 176.178 176.300 -0.011 0.000 1.033 579 D CA 1.436 55.426 54.000 -0.016 0.000 1.021 579 D CB -1.009 39.783 40.800 -0.013 0.000 1.101 579 D HN 0.547 nan 8.370 nan 0.000 0.431 580 E N -0.190 120.009 120.200 -0.001 0.000 2.221 580 E HA 0.568 4.907 4.350 -0.018 0.000 0.268 580 E C -0.276 176.338 176.600 0.022 0.000 0.933 580 E CA -0.620 55.785 56.400 0.008 0.000 0.809 580 E CB 1.443 31.150 29.700 0.012 0.000 1.190 580 E HN -0.109 nan 8.360 nan 0.000 0.406 581 S N 1.567 117.287 115.700 0.033 0.000 2.584 581 S HA 0.049 4.509 4.470 -0.018 0.000 0.270 581 S C -0.231 174.418 174.600 0.081 0.000 1.346 581 S CA -0.428 57.814 58.200 0.070 0.000 1.018 581 S CB 0.419 63.661 63.200 0.071 0.000 0.899 581 S HN 0.337 nan 8.310 nan 0.000 0.542 582 E N 0.812 121.092 120.200 0.133 0.000 2.398 582 E HA 0.241 4.581 4.350 -0.018 0.000 0.263 582 E C -0.838 175.791 176.600 0.049 0.000 1.046 582 E CA -0.037 56.425 56.400 0.103 0.000 0.908 582 E CB 0.420 30.209 29.700 0.149 0.000 0.963 582 E HN 0.233 nan 8.360 nan 0.000 0.431 583 V N 3.569 123.495 119.914 0.019 0.000 2.347 583 V HA 0.238 4.348 4.120 -0.018 0.000 0.280 583 V C -0.444 175.625 176.094 -0.041 0.000 1.021 583 V CA -0.825 61.470 62.300 -0.007 0.000 0.847 583 V CB 1.481 33.302 31.823 -0.002 0.000 0.990 583 V HN 0.389 nan 8.190 nan 0.000 0.444 584 V N 6.073 125.940 119.914 -0.079 0.000 2.394 584 V HA 0.438 4.547 4.120 -0.018 0.000 0.282 584 V C -0.079 175.934 176.094 -0.135 0.000 1.031 584 V CA -0.489 61.713 62.300 -0.163 0.000 0.881 584 V CB 1.797 33.455 31.823 -0.275 0.000 0.982 584 V HN 0.617 nan 8.190 nan 0.000 0.451 585 V N 5.109 124.949 119.914 -0.122 0.000 2.384 585 V HA 0.505 4.615 4.120 -0.018 0.000 0.287 585 V C -0.176 175.877 176.094 -0.069 0.000 1.020 585 V CA -0.632 61.630 62.300 -0.064 0.000 0.850 585 V CB 1.486 33.297 31.823 -0.020 0.000 0.987 585 V HN 0.956 nan 8.190 nan 0.000 0.436 586 E N 3.686 123.865 120.200 -0.034 0.000 2.256 586 E HA 0.860 5.200 4.350 -0.018 0.000 0.267 586 E C -0.787 175.845 176.600 0.053 0.000 0.892 586 E CA -1.111 55.299 56.400 0.016 0.000 0.775 586 E CB 2.673 32.399 29.700 0.042 0.000 1.207 586 E HN 0.454 nan 8.360 nan 0.000 0.420 587 R N 1.901 122.450 120.500 0.081 0.000 2.725 587 R HA 0.216 4.545 4.340 -0.018 0.000 0.276 587 R C -2.149 174.210 176.300 0.098 0.000 1.189 587 R CA -0.384 55.763 56.100 0.079 0.000 1.083 587 R CB 0.599 30.934 30.300 0.058 0.000 1.262 587 R HN 0.416 nan 8.270 nan 0.000 0.415 588 D N 4.787 125.251 120.400 0.107 0.000 2.177 588 D HA 0.428 5.058 4.640 -0.018 0.000 0.247 588 D C 0.181 176.542 176.300 0.101 0.000 1.063 588 D CA -0.098 53.974 54.000 0.120 0.000 0.867 588 D CB 1.301 42.188 40.800 0.145 0.000 1.168 588 D HN 0.544 nan 8.370 nan 0.000 0.445 589 I N -1.587 119.036 120.570 0.089 0.000 2.740 589 I HA 0.592 4.751 4.170 -0.018 0.000 0.303 589 I C -0.718 175.441 176.117 0.071 0.000 1.044 589 I CA -1.040 60.298 61.300 0.063 0.000 1.064 589 I CB 2.039 40.055 38.000 0.027 0.000 1.249 589 I HN 0.093 nan 8.210 nan 0.000 0.433 590 I N 4.963 125.572 120.570 0.064 0.000 2.389 590 I HA 0.354 4.513 4.170 -0.018 0.000 0.288 590 I C -0.982 175.163 176.117 0.047 0.000 0.999 590 I CA -0.722 60.622 61.300 0.073 0.000 1.129 590 I CB 1.806 39.861 38.000 0.091 0.000 1.288 590 I HN 0.382 nan 8.210 nan 0.000 0.444 591 L N 5.964 127.214 121.223 0.045 0.000 2.292 591 L HA 0.316 4.645 4.340 -0.018 0.000 0.284 591 L C 0.167 177.085 176.870 0.080 0.000 1.065 591 L CA -0.067 54.800 54.840 0.046 0.000 0.806 591 L CB 0.346 42.421 42.059 0.026 0.000 1.175 591 L HN 0.440 nan 8.230 nan 0.000 0.431 592 D N 1.961 122.402 120.400 0.070 0.000 2.339 592 D HA 0.128 4.758 4.640 -0.018 0.000 0.245 592 D C 0.046 176.406 176.300 0.101 0.000 1.115 592 D CA -0.100 53.940 54.000 0.068 0.000 0.917 592 D CB 0.676 41.498 40.800 0.037 0.000 1.192 592 D HN 0.374 nan 8.370 nan 0.000 0.428 593 N N 1.166 119.923 118.700 0.095 0.000 2.463 593 N HA 0.284 5.014 4.740 -0.018 0.000 0.270 593 N C -2.181 173.345 175.510 0.027 0.000 1.205 593 N CA -0.954 52.164 53.050 0.113 0.000 0.974 593 N CB 0.496 39.055 38.487 0.119 0.000 1.197 593 N HN 0.193 nan 8.380 nan 0.000 0.504 594 P HA 0.054 nan 4.420 nan 0.000 0.271 594 P C -0.364 176.903 177.300 -0.055 0.000 1.233 594 P CA -0.003 63.016 63.100 -0.135 0.000 0.789 594 P CB 0.210 31.699 31.700 -0.351 0.000 0.951 595 T N 1.313 115.809 114.554 -0.097 0.000 2.900 595 T HA 0.289 4.628 4.350 -0.018 0.000 0.307 595 T C 0.084 174.794 174.700 0.016 0.000 1.065 595 T CA 0.245 62.315 62.100 -0.049 0.000 1.105 595 T CB 0.008 68.828 68.868 -0.081 0.000 0.979 595 T HN 0.336 nan 8.240 nan 0.000 0.544 596 L N 3.163 124.409 121.223 0.038 0.000 2.482 596 L HA 0.584 4.913 4.340 -0.018 0.000 0.269 596 L C -0.233 176.641 176.870 0.006 0.000 0.967 596 L CA -0.212 54.662 54.840 0.057 0.000 0.851 596 L CB 1.782 43.879 42.059 0.064 0.000 1.242 596 L HN 0.861 nan 8.230 nan 0.000 0.404 597 T N 2.638 117.185 114.554 -0.011 0.000 2.907 597 T HA 0.793 5.133 4.350 -0.018 0.000 0.292 597 T C -0.609 174.088 174.700 -0.006 0.000 1.043 597 T CA -0.801 61.290 62.100 -0.015 0.000 1.003 597 T CB 1.545 70.394 68.868 -0.032 0.000 1.084 597 T HN 0.535 nan 8.240 nan 0.000 0.483 598 L N 1.189 122.411 121.223 -0.001 0.000 2.362 598 L HA 0.675 5.005 4.340 -0.018 0.000 0.271 598 L C -0.245 176.609 176.870 -0.027 0.000 1.002 598 L CA -0.814 54.031 54.840 0.008 0.000 0.818 598 L CB 2.119 44.210 42.059 0.053 0.000 1.298 598 L HN 0.780 nan 8.230 nan 0.000 0.420 599 E N 1.918 122.081 120.200 -0.061 0.000 2.278 599 E HA 0.364 4.704 4.350 -0.018 0.000 0.272 599 E C -1.428 175.109 176.600 -0.106 0.000 0.890 599 E CA -0.644 55.713 56.400 -0.071 0.000 0.770 599 E CB 3.176 32.836 29.700 -0.067 0.000 1.212 599 E HN 0.178 nan 8.360 nan 0.000 0.415 600 V N 3.720 123.583 119.914 -0.085 0.000 2.546 600 V HA 0.078 4.188 4.120 -0.018 0.000 0.284 600 V C 0.534 176.578 176.094 -0.084 0.000 1.050 600 V CA -0.476 61.766 62.300 -0.096 0.000 0.981 600 V CB 1.009 32.795 31.823 -0.062 0.000 0.990 600 V HN 0.638 nan 8.190 nan 0.000 0.474 601 L N 4.784 125.950 121.223 -0.094 0.000 2.783 601 L HA 0.434 4.764 4.340 -0.018 0.000 0.236 601 L C 0.432 177.269 176.870 -0.054 0.000 1.225 601 L CA 0.633 55.428 54.840 -0.074 0.000 1.026 601 L CB -1.952 40.058 42.059 -0.082 0.000 1.314 601 L HN 0.811 nan 8.230 nan 0.000 0.489 602 N N -0.684 117.987 118.700 -0.047 0.000 3.514 602 N HA 0.041 4.771 4.740 -0.018 0.000 0.268 602 N C -0.865 174.628 175.510 -0.028 0.000 1.391 602 N CA -0.482 52.547 53.050 -0.035 0.000 0.821 602 N CB 1.171 39.639 38.487 -0.032 0.000 1.563 602 N HN 0.048 nan 8.380 nan 0.000 0.426 603 E N 0.407 120.594 120.200 -0.021 0.000 2.408 603 E HA 0.473 4.813 4.350 -0.018 0.000 0.259 603 E C -0.499 176.093 176.600 -0.014 0.000 1.110 603 E CA -0.221 56.169 56.400 -0.016 0.000 0.929 603 E CB 0.597 30.290 29.700 -0.012 0.000 0.971 603 E HN 0.472 nan 8.360 nan 0.000 0.438 604 A N 3.031 125.846 122.820 -0.009 0.000 2.303 604 A HA 0.534 4.843 4.320 -0.018 0.000 0.320 604 A C -0.517 177.066 177.584 -0.001 0.000 1.192 604 A CA -0.571 51.463 52.037 -0.005 0.000 0.821 604 A CB 0.730 19.728 19.000 -0.003 0.000 1.188 604 A HN 0.537 nan 8.150 nan 0.000 0.492 605 R N 1.471 121.972 120.500 0.001 0.000 2.771 605 R HA 0.503 4.832 4.340 -0.018 0.000 0.274 605 R C -1.064 175.240 176.300 0.007 0.000 0.987 605 R CA -0.997 55.105 56.100 0.003 0.000 0.908 605 R CB 2.092 32.393 30.300 0.002 0.000 1.213 605 R HN 0.481 nan 8.270 nan 0.000 0.468 606 V N 3.563 123.482 119.914 0.007 0.000 2.644 606 V HA -0.129 3.981 4.120 -0.018 0.000 0.305 606 V C 1.163 177.264 176.094 0.011 0.000 1.053 606 V CA 0.804 63.110 62.300 0.010 0.000 1.186 606 V CB -0.082 31.747 31.823 0.009 0.000 0.895 606 V HN 0.834 nan 8.190 nan 0.000 0.490 607 R N 0.752 121.260 120.500 0.013 0.000 4.010 607 R HA -0.206 4.123 4.340 -0.018 0.000 0.409 607 R C 0.520 176.828 176.300 0.013 0.000 1.120 607 R CA 1.493 57.602 56.100 0.014 0.000 1.244 607 R CB -1.059 29.249 30.300 0.013 0.000 1.799 607 R HN 0.725 nan 8.270 nan 0.000 0.559 608 K N 1.842 122.248 120.400 0.011 0.000 2.281 608 K HA 0.307 4.617 4.320 -0.018 0.000 0.272 608 K C -2.488 174.117 176.600 0.008 0.000 1.048 608 K CA -2.087 54.205 56.287 0.008 0.000 0.898 608 K CB 1.232 33.735 32.500 0.004 0.000 1.128 608 K HN -0.258 nan 8.250 nan 0.000 0.460 609 P HA -0.049 nan 4.420 nan 0.000 0.268 609 P C -1.294 176.006 177.300 -0.000 0.000 1.204 609 P CA -0.345 62.761 63.100 0.011 0.000 0.768 609 P CB 0.998 32.706 31.700 0.013 0.000 0.842 610 V N 3.991 123.903 119.914 -0.005 0.000 2.686 610 V HA 0.324 4.433 4.120 -0.018 0.000 0.306 610 V C -0.492 175.568 176.094 -0.056 0.000 1.065 610 V CA -0.908 61.376 62.300 -0.027 0.000 0.894 610 V CB 1.697 33.504 31.823 -0.026 0.000 1.004 610 V HN 0.499 nan 8.190 nan 0.000 0.424 611 N N 3.829 122.480 118.700 -0.082 0.000 2.525 611 N HA 0.532 5.261 4.740 -0.018 0.000 0.271 611 N C -1.091 174.278 175.510 -0.234 0.000 1.194 611 N CA -0.196 52.766 53.050 -0.146 0.000 0.964 611 N CB 1.413 39.831 38.487 -0.115 0.000 1.126 611 N HN 0.527 nan 8.380 nan 0.000 0.452 612 V N 1.976 121.621 119.914 -0.449 0.000 2.876 612 V HA 0.303 4.412 4.120 -0.018 0.000 0.312 612 V C -0.775 174.927 176.094 -0.653 0.000 1.085 612 V CA -0.853 61.105 62.300 -0.569 0.000 0.945 612 V CB 1.953 33.301 31.823 -0.792 0.000 1.017 612 V HN 0.719 nan 8.190 nan 0.000 0.428 613 Q N 3.343 122.916 119.800 -0.378 0.000 2.353 613 Q HA 0.752 5.081 4.340 -0.018 0.000 0.268 613 Q C -0.918 175.014 176.000 -0.113 0.000 1.045 613 Q CA -0.724 54.940 55.803 -0.232 0.000 0.811 613 Q CB 2.852 31.508 28.738 -0.136 0.000 1.305 613 Q HN 0.730 nan 8.270 nan 0.000 0.447 614 M N 4.497 124.091 119.600 -0.011 0.000 2.238 614 M HA 0.439 4.908 4.480 -0.018 0.000 0.350 614 M C -2.020 174.269 176.300 -0.018 0.000 1.138 614 M CA -0.762 54.563 55.300 0.042 0.000 1.040 614 M CB 0.882 33.560 32.600 0.129 0.000 1.639 614 M HN 0.828 nan 8.290 nan 0.000 0.451 615 L N 6.345 127.546 121.223 -0.035 0.000 2.349 615 L HA 0.599 4.929 4.340 -0.018 0.000 0.278 615 L C -1.346 175.496 176.870 -0.045 0.000 0.996 615 L CA -0.550 54.259 54.840 -0.051 0.000 0.825 615 L CB 1.660 43.682 42.059 -0.061 0.000 1.243 615 L HN 0.695 nan 8.230 nan 0.000 0.412 616 F N 1.904 121.704 119.950 -0.250 0.000 2.581 616 F HA 0.614 5.129 4.527 -0.020 0.000 0.311 616 F C -0.760 174.910 175.800 -0.217 0.000 1.113 616 F CA -0.212 57.600 58.000 -0.314 0.000 0.935 616 F CB 2.229 40.858 39.000 -0.620 0.000 1.232 616 F HN 0.291 nan 8.300 nan 0.000 0.445 617 S N 4.028 119.025 115.700 -1.172 0.000 2.502 617 S HA 0.297 4.757 4.470 -0.018 0.000 0.304 617 S C -1.105 172.858 174.600 -1.063 0.000 1.097 617 S CA -0.697 57.019 58.200 -0.806 0.000 1.045 617 S CB 1.174 64.105 63.200 -0.447 0.000 1.019 617 S HN 0.641 nan 8.310 nan 0.000 0.481 618 N N 4.051 122.467 118.700 -0.474 0.000 2.401 618 N HA 0.248 4.978 4.740 -0.018 0.000 0.255 618 N C -1.508 173.936 175.510 -0.109 0.000 1.110 618 N CA -1.944 51.018 53.050 -0.148 0.000 0.949 618 N CB 1.015 39.595 38.487 0.156 0.000 1.110 618 N HN 0.258 nan 8.380 nan 0.000 0.490 619 P HA 0.015 nan 4.420 nan 0.000 0.240 619 P C 0.172 177.464 177.300 -0.012 0.000 1.190 619 P CA 0.378 63.437 63.100 -0.068 0.000 0.781 619 P CB 0.545 32.191 31.700 -0.091 0.000 0.931 620 L N 0.397 121.659 121.223 0.066 0.000 2.466 620 L HA 0.172 4.501 4.340 -0.018 0.000 0.257 620 L C 1.425 178.303 176.870 0.014 0.000 1.189 620 L CA -0.223 54.621 54.840 0.008 0.000 0.813 620 L CB 0.097 42.191 42.059 0.058 0.000 1.118 620 L HN -0.255 nan 8.230 nan 0.000 0.471 621 D N -0.168 120.233 120.400 0.002 0.000 2.349 621 D HA -0.006 4.623 4.640 -0.018 0.000 0.224 621 D C 0.393 176.715 176.300 0.036 0.000 1.029 621 D CA 0.456 54.467 54.000 0.018 0.000 0.879 621 D CB 0.309 41.121 40.800 0.019 0.000 0.906 621 D HN 0.601 nan 8.370 nan 0.000 0.528 622 E N 0.477 120.709 120.200 0.053 0.000 2.320 622 E HA 0.508 4.848 4.350 -0.018 0.000 0.264 622 E C -2.882 173.766 176.600 0.079 0.000 0.923 622 E CA -2.135 54.299 56.400 0.057 0.000 0.796 622 E CB 2.454 32.188 29.700 0.055 0.000 1.262 622 E HN -0.218 nan 8.360 nan 0.000 0.428 623 P HA 0.092 nan 4.420 nan 0.000 0.278 623 P C -0.283 177.087 177.300 0.116 0.000 1.258 623 P CA -0.552 62.608 63.100 0.099 0.000 0.811 623 P CB 1.282 33.026 31.700 0.074 0.000 1.063 624 V N -0.257 119.757 119.914 0.167 0.000 2.435 624 V HA 0.637 4.746 4.120 -0.018 0.000 0.290 624 V C 0.099 176.257 176.094 0.106 0.000 1.030 624 V CA -0.781 61.619 62.300 0.167 0.000 0.881 624 V CB 1.219 33.234 31.823 0.320 0.000 0.983 624 V HN 0.462 nan 8.190 nan 0.000 0.445 625 R N 1.785 122.311 120.500 0.044 0.000 2.943 625 R HA 0.593 4.923 4.340 -0.018 0.000 0.246 625 R C -0.492 175.784 176.300 -0.040 0.000 1.201 625 R CA -0.617 55.489 56.100 0.010 0.000 1.056 625 R CB 0.565 30.867 30.300 0.002 0.000 1.243 625 R HN 0.805 nan 8.270 nan 0.000 0.498 626 D N -0.432 119.939 120.400 -0.048 0.000 2.837 626 D HA -0.156 4.473 4.640 -0.018 0.000 0.230 626 D C -0.680 175.529 176.300 -0.152 0.000 1.152 626 D CA 0.556 54.507 54.000 -0.082 0.000 0.736 626 D CB -1.880 38.873 40.800 -0.078 0.000 1.084 626 D HN 0.407 nan 8.370 nan 0.000 0.429 627 C N 0.714 119.917 119.300 -0.160 0.000 2.651 627 C HA 0.385 4.834 4.460 -0.018 0.000 0.410 627 C C 1.066 175.890 174.990 -0.277 0.000 1.372 627 C CA -0.691 58.129 59.018 -0.331 0.000 1.707 627 C CB 0.187 27.838 27.740 -0.149 0.000 2.501 627 C HN 0.145 nan 8.230 nan 0.000 0.598 628 V N 5.677 125.339 119.914 -0.421 0.000 2.638 628 V HA 0.445 4.554 4.120 -0.018 0.000 0.306 628 V C -0.321 175.650 176.094 -0.205 0.000 1.052 628 V CA -0.491 61.669 62.300 -0.235 0.000 0.885 628 V CB 1.821 33.525 31.823 -0.198 0.000 0.999 628 V HN 0.758 nan 8.190 nan 0.000 0.424 629 L N 5.848 127.050 121.223 -0.035 0.000 2.298 629 L HA 0.595 4.924 4.340 -0.018 0.000 0.284 629 L C -0.973 175.853 176.870 -0.074 0.000 1.013 629 L CA -0.345 54.523 54.840 0.047 0.000 0.824 629 L CB 1.498 43.635 42.059 0.131 0.000 1.221 629 L HN 0.582 nan 8.230 nan 0.000 0.418 630 M N 5.677 125.223 119.600 -0.090 0.000 2.268 630 M HA 0.489 4.958 4.480 -0.018 0.000 0.344 630 M C -0.630 175.581 176.300 -0.149 0.000 1.106 630 M CA -0.607 54.616 55.300 -0.128 0.000 1.010 630 M CB 1.677 34.203 32.600 -0.123 0.000 1.649 630 M HN 0.202 nan 8.290 nan 0.000 0.443 631 V N 2.919 122.711 119.914 -0.204 0.000 2.760 631 V HA 0.683 4.792 4.120 -0.018 0.000 0.309 631 V C -0.446 175.548 176.094 -0.167 0.000 1.077 631 V CA -0.738 61.428 62.300 -0.224 0.000 0.910 631 V CB 2.413 33.962 31.823 -0.456 0.000 1.008 631 V HN 0.957 nan 8.190 nan 0.000 0.424 632 E N 2.336 122.465 120.200 -0.119 0.000 2.447 632 E HA 0.834 5.174 4.350 -0.018 0.000 0.279 632 E C -0.625 175.932 176.600 -0.071 0.000 1.053 632 E CA -0.919 55.425 56.400 -0.092 0.000 0.840 632 E CB 2.425 32.062 29.700 -0.106 0.000 1.409 632 E HN 1.220 nan 8.360 nan 0.000 0.461 633 G N 0.567 109.334 108.800 -0.055 0.000 1.932 633 G HA2 0.269 4.218 3.960 -0.018 0.000 0.260 633 G HA3 0.269 4.218 3.960 -0.018 0.000 0.260 633 G C -1.018 173.878 174.900 -0.008 0.000 1.708 633 G CA -0.637 44.440 45.100 -0.039 0.000 0.912 633 G HN 0.389 nan 8.290 nan 0.000 0.710 634 S N 0.256 115.956 115.700 0.001 0.000 2.537 634 S HA 0.455 4.915 4.470 -0.018 0.000 0.286 634 S C 1.611 176.242 174.600 0.051 0.000 1.299 634 S CA 1.591 59.817 58.200 0.043 0.000 1.067 634 S CB 1.125 64.375 63.200 0.083 0.000 0.864 634 S HN 2.383 nan 8.310 nan 0.000 0.494 635 G N 2.073 110.905 108.800 0.053 0.000 2.199 635 G HA2 -0.221 3.728 3.960 -0.018 0.000 0.254 635 G HA3 -0.221 3.728 3.960 -0.018 0.000 0.254 635 G C 0.465 175.386 174.900 0.034 0.000 0.982 635 G CA 0.436 45.562 45.100 0.043 0.000 0.632 635 G HN 0.598 nan 8.290 nan 0.000 0.529 636 L N -1.358 119.885 121.223 0.034 0.000 2.624 636 L HA 0.567 4.897 4.340 -0.018 0.000 0.222 636 L C 0.888 177.783 176.870 0.043 0.000 1.046 636 L CA 0.317 55.179 54.840 0.038 0.000 0.872 636 L CB 0.384 42.467 42.059 0.040 0.000 1.190 636 L HN 0.128 nan 8.230 nan 0.000 0.487 637 L N 0.298 121.540 121.223 0.032 0.000 2.434 637 L HA 0.436 4.766 4.340 -0.018 0.000 0.260 637 L C -1.037 175.845 176.870 0.019 0.000 0.983 637 L CA -0.479 54.377 54.840 0.026 0.000 0.820 637 L CB 3.112 45.177 42.059 0.011 0.000 1.361 637 L HN -0.067 nan 8.230 nan 0.000 0.410 638 L N 2.853 124.088 121.223 0.020 0.000 2.283 638 L HA 0.519 4.848 4.340 -0.018 0.000 0.287 638 L C 0.949 177.826 176.870 0.011 0.000 1.073 638 L CA 0.231 55.085 54.840 0.023 0.000 0.822 638 L CB 0.417 42.492 42.059 0.026 0.000 1.186 638 L HN 0.936 nan 8.230 nan 0.000 0.436 639 G N 3.835 112.640 108.800 0.009 0.000 2.553 639 G HA2 -0.288 3.662 3.960 -0.018 0.000 0.242 639 G HA3 -0.288 3.662 3.960 -0.018 0.000 0.242 639 G C -0.491 174.395 174.900 -0.024 0.000 1.277 639 G CA -0.306 44.793 45.100 -0.002 0.000 0.910 639 G HN 0.722 nan 8.290 nan 0.000 0.576 640 N N -0.156 118.526 118.700 -0.030 0.000 2.372 640 N HA 0.507 5.237 4.740 -0.018 0.000 0.291 640 N C -0.917 174.550 175.510 -0.072 0.000 1.024 640 N CA -0.653 52.363 53.050 -0.056 0.000 0.873 640 N CB 1.676 40.137 38.487 -0.044 0.000 1.206 640 N HN 0.656 nan 8.380 nan 0.000 0.486 641 L N 2.753 123.906 121.223 -0.117 0.000 2.292 641 L HA 0.403 4.733 4.340 -0.018 0.000 0.284 641 L C -0.114 176.662 176.870 -0.156 0.000 1.065 641 L CA -0.090 54.663 54.840 -0.146 0.000 0.806 641 L CB 0.667 42.583 42.059 -0.239 0.000 1.175 641 L HN 0.553 nan 8.230 nan 0.000 0.431 642 K N 6.135 126.466 120.400 -0.116 0.000 2.450 642 K HA 0.562 4.872 4.320 -0.018 0.000 0.257 642 K C -1.573 174.977 176.600 -0.083 0.000 0.953 642 K CA -0.435 55.790 56.287 -0.103 0.000 0.844 642 K CB 0.815 33.268 32.500 -0.078 0.000 1.103 642 K HN 0.643 nan 8.250 nan 0.000 0.429 643 I N 3.209 123.730 120.570 -0.081 0.000 2.406 643 I HA 0.207 4.366 4.170 -0.018 0.000 0.290 643 I C -0.573 175.536 176.117 -0.013 0.000 0.999 643 I CA -1.023 60.255 61.300 -0.036 0.000 1.124 643 I CB 1.803 39.791 38.000 -0.019 0.000 1.289 643 I HN 0.478 nan 8.210 nan 0.000 0.441 644 D N 5.960 126.356 120.400 -0.006 0.000 2.312 644 D HA 0.278 4.908 4.640 -0.018 0.000 0.252 644 D C -0.396 175.923 176.300 0.033 0.000 1.150 644 D CA 0.041 54.038 54.000 -0.005 0.000 0.870 644 D CB 2.091 42.885 40.800 -0.010 0.000 1.153 644 D HN 0.049 nan 8.370 nan 0.000 0.457 645 V N 5.421 125.366 119.914 0.052 0.000 2.435 645 V HA 0.307 4.416 4.120 -0.018 0.000 0.290 645 V C -1.800 174.343 176.094 0.082 0.000 1.030 645 V CA -1.527 60.838 62.300 0.108 0.000 0.881 645 V CB 1.637 33.605 31.823 0.243 0.000 0.983 645 V HN 0.462 nan 8.190 nan 0.000 0.445 646 P HA 0.060 nan 4.420 nan 0.000 0.269 646 P C 0.107 177.456 177.300 0.082 0.000 1.215 646 P CA -0.070 63.068 63.100 0.063 0.000 0.780 646 P CB 0.299 32.033 31.700 0.057 0.000 0.898 647 T N 1.895 116.487 114.554 0.063 0.000 2.939 647 T HA 0.013 4.353 4.350 -0.018 0.000 0.312 647 T C 0.251 175.012 174.700 0.102 0.000 1.064 647 T CA 0.558 62.703 62.100 0.075 0.000 1.136 647 T CB -0.235 68.664 68.868 0.053 0.000 1.035 647 T HN 0.272 nan 8.240 nan 0.000 0.538 648 L N 3.913 125.220 121.223 0.138 0.000 2.316 648 L HA 0.604 4.933 4.340 -0.018 0.000 0.280 648 L C 0.638 177.589 176.870 0.135 0.000 1.006 648 L CA -0.143 54.791 54.840 0.156 0.000 0.836 648 L CB 0.767 42.975 42.059 0.249 0.000 1.221 648 L HN 0.745 nan 8.230 nan 0.000 0.418 649 G N 5.075 113.931 108.800 0.092 0.000 2.732 649 G HA2 0.254 4.203 3.960 -0.018 0.000 0.244 649 G HA3 0.254 4.203 3.960 -0.018 0.000 0.244 649 G C -2.528 172.416 174.900 0.074 0.000 1.226 649 G CA -0.775 44.369 45.100 0.072 0.000 0.860 649 G HN 0.570 nan 8.290 nan 0.000 0.583 650 P HA 0.092 nan 4.420 nan 0.000 0.268 650 P C -0.208 177.105 177.300 0.021 0.000 1.204 650 P CA 0.070 63.199 63.100 0.048 0.000 0.768 650 P CB 1.028 32.750 31.700 0.036 0.000 0.842 651 K N -1.089 119.313 120.400 0.004 0.000 3.426 651 K HA -0.185 4.124 4.320 -0.018 0.000 0.315 651 K C 0.115 176.691 176.600 -0.040 0.000 1.293 651 K CA 1.208 57.476 56.287 -0.031 0.000 0.955 651 K CB -1.874 30.611 32.500 -0.025 0.000 1.238 651 K HN 0.662 nan 8.250 nan 0.000 0.441 652 E N 1.327 121.517 120.200 -0.016 0.000 2.283 652 E HA 0.293 4.633 4.350 -0.018 0.000 0.267 652 E C 0.512 177.090 176.600 -0.038 0.000 1.045 652 E CA -0.941 55.451 56.400 -0.013 0.000 0.884 652 E CB 1.047 30.761 29.700 0.023 0.000 1.106 652 E HN 0.133 nan 8.360 nan 0.000 0.408 653 R N 0.440 120.917 120.500 -0.038 0.000 2.460 653 R HA 0.375 4.705 4.340 -0.018 0.000 0.303 653 R C -0.718 175.585 176.300 0.006 0.000 0.968 653 R CA -0.652 55.415 56.100 -0.056 0.000 0.889 653 R CB 1.522 31.776 30.300 -0.078 0.000 1.123 653 R HN 0.361 nan 8.270 nan 0.000 0.455 654 S N 2.445 118.167 115.700 0.037 0.000 2.438 654 S HA 0.325 4.785 4.470 -0.018 0.000 0.293 654 S C -0.426 174.184 174.600 0.017 0.000 1.141 654 S CA -0.774 57.464 58.200 0.062 0.000 1.080 654 S CB 0.422 63.690 63.200 0.113 0.000 0.978 654 S HN 0.511 nan 8.310 nan 0.000 0.479 655 R N 4.672 125.184 120.500 0.021 0.000 2.287 655 R HA 0.414 4.743 4.340 -0.018 0.000 0.316 655 R C -1.463 174.854 176.300 0.028 0.000 1.050 655 R CA -0.290 55.814 56.100 0.008 0.000 0.983 655 R CB 0.980 31.279 30.300 -0.002 0.000 1.140 655 R HN 0.522 nan 8.270 nan 0.000 0.528 656 V N 4.533 124.472 119.914 0.042 0.000 2.513 656 V HA 0.531 4.641 4.120 -0.018 0.000 0.299 656 V C 0.357 176.501 176.094 0.084 0.000 1.035 656 V CA -0.763 61.592 62.300 0.091 0.000 0.889 656 V CB 2.158 34.068 31.823 0.145 0.000 0.988 656 V HN 0.541 nan 8.190 nan 0.000 0.440 657 R N 3.537 124.085 120.500 0.080 0.000 2.740 657 R HA 0.818 5.148 4.340 -0.018 0.000 0.282 657 R C -1.428 174.929 176.300 0.095 0.000 0.969 657 R CA -0.483 55.603 56.100 -0.023 0.000 0.918 657 R CB 2.423 32.691 30.300 -0.052 0.000 1.175 657 R HN 0.733 nan 8.270 nan 0.000 0.464 658 F N -1.581 118.368 119.950 -0.003 0.000 2.713 658 F HA 0.476 4.998 4.527 -0.009 0.000 0.311 658 F C -1.564 174.234 175.800 -0.003 0.000 1.141 658 F CA -1.357 56.643 58.000 -0.001 0.000 0.939 658 F CB 1.192 40.193 39.000 0.000 0.000 1.325 658 F HN 0.200 nan 8.300 nan 0.000 0.453 659 D N 2.328 122.858 120.400 0.217 0.000 2.181 659 D HA 0.626 5.255 4.640 -0.018 0.000 0.248 659 D C -0.195 176.240 176.300 0.224 0.000 1.020 659 D CA -0.097 53.972 54.000 0.116 0.000 0.891 659 D CB 2.217 43.058 40.800 0.068 0.000 1.187 659 D HN 0.807 nan 8.370 nan 0.000 0.443 660 I N -1.824 118.830 120.570 0.140 0.000 2.910 660 I HA 0.643 4.803 4.170 -0.018 0.000 0.310 660 I C -1.191 174.969 176.117 0.072 0.000 1.043 660 I CA -1.161 60.223 61.300 0.139 0.000 1.053 660 I CB 1.986 40.072 38.000 0.144 0.000 1.242 660 I HN 0.053 nan 8.210 nan 0.000 0.452 661 L N 4.847 126.105 121.223 0.059 0.000 2.454 661 L HA 0.636 4.966 4.340 -0.018 0.000 0.258 661 L C -2.657 174.233 176.870 0.034 0.000 1.025 661 L CA -1.900 52.964 54.840 0.040 0.000 0.901 661 L CB 0.868 42.949 42.059 0.037 0.000 1.210 661 L HN 0.396 nan 8.230 nan 0.000 0.457 662 P HA 0.149 nan 4.420 nan 0.000 0.262 662 P C -0.015 177.298 177.300 0.022 0.000 1.182 662 P CA 0.403 63.517 63.100 0.024 0.000 0.761 662 P CB 0.707 32.417 31.700 0.017 0.000 0.795 663 S N 2.386 118.099 115.700 0.022 0.000 2.687 663 S HA 0.218 4.677 4.470 -0.018 0.000 0.247 663 S C 0.486 175.094 174.600 0.013 0.000 1.050 663 S CA -0.346 57.866 58.200 0.020 0.000 1.063 663 S CB 0.406 63.622 63.200 0.026 0.000 1.039 663 S HN 0.366 nan 8.310 nan 0.000 0.580 664 R N 2.231 122.738 120.500 0.012 0.000 2.533 664 R HA 0.438 4.767 4.340 -0.018 0.000 0.288 664 R C -0.774 175.528 176.300 0.005 0.000 1.039 664 R CA -0.044 56.057 56.100 0.002 0.000 0.909 664 R CB 1.934 32.230 30.300 -0.005 0.000 1.195 664 R HN 0.397 nan 8.270 nan 0.000 0.438 665 S N 1.857 117.558 115.700 0.001 0.000 2.584 665 S HA 0.746 5.205 4.470 -0.018 0.000 0.270 665 S C 0.584 175.187 174.600 0.006 0.000 1.346 665 S CA 0.408 58.611 58.200 0.004 0.000 1.018 665 S CB 1.465 64.667 63.200 0.004 0.000 0.899 665 S HN 1.061 nan 8.310 nan 0.000 0.542 666 G N 0.161 108.966 108.800 0.008 0.000 2.373 666 G HA2 0.100 4.049 3.960 -0.018 0.000 0.634 666 G HA3 0.100 4.049 3.960 -0.018 0.000 0.634 666 G C -0.662 174.245 174.900 0.011 0.000 1.267 666 G CA -0.543 44.563 45.100 0.011 0.000 1.008 666 G HN 1.002 nan 8.290 nan 0.000 0.497 667 T N 2.725 117.287 114.554 0.013 0.000 2.723 667 T HA 0.527 4.866 4.350 -0.018 0.000 0.297 667 T C 0.326 175.035 174.700 0.015 0.000 0.925 667 T CA -0.145 61.962 62.100 0.011 0.000 1.030 667 T CB 0.708 69.581 68.868 0.008 0.000 0.905 667 T HN 0.535 nan 8.240 nan 0.000 0.502 668 K N 2.596 123.003 120.400 0.013 0.000 2.211 668 K HA 0.466 4.776 4.320 -0.018 0.000 0.237 668 K C -0.194 176.409 176.600 0.006 0.000 1.002 668 K CA -0.884 55.413 56.287 0.015 0.000 0.885 668 K CB 1.396 33.907 32.500 0.019 0.000 1.136 668 K HN 0.533 nan 8.250 nan 0.000 0.448 669 Q N 1.479 121.279 119.800 -0.000 0.000 2.320 669 Q HA 0.331 4.660 4.340 -0.018 0.000 0.268 669 Q C -1.566 174.422 176.000 -0.020 0.000 1.023 669 Q CA -0.794 54.999 55.803 -0.016 0.000 0.744 669 Q CB 1.267 29.984 28.738 -0.035 0.000 1.246 669 Q HN 0.393 nan 8.270 nan 0.000 0.462 670 L N 5.222 126.441 121.223 -0.006 0.000 2.289 670 L HA 0.555 4.885 4.340 -0.018 0.000 0.285 670 L C -1.647 175.217 176.870 -0.010 0.000 1.049 670 L CA -0.108 54.736 54.840 0.007 0.000 0.804 670 L CB 1.092 43.182 42.059 0.051 0.000 1.195 670 L HN 0.685 nan 8.230 nan 0.000 0.428 671 L N 4.940 126.144 121.223 -0.032 0.000 2.370 671 L HA 0.939 5.268 4.340 -0.018 0.000 0.266 671 L C -0.551 176.291 176.870 -0.045 0.000 1.002 671 L CA -0.688 54.123 54.840 -0.048 0.000 0.818 671 L CB 1.890 43.892 42.059 -0.094 0.000 1.325 671 L HN 0.760 nan 8.230 nan 0.000 0.418 672 A N 1.279 124.082 122.820 -0.028 0.000 2.515 672 A HA 0.714 5.024 4.320 -0.018 0.000 0.296 672 A C -1.877 175.701 177.584 -0.010 0.000 1.094 672 A CA -0.460 51.561 52.037 -0.026 0.000 0.718 672 A CB 2.083 21.091 19.000 0.012 0.000 1.307 672 A HN 0.744 nan 8.150 nan 0.000 0.408 673 D N -0.238 120.155 120.400 -0.011 0.000 2.757 673 D HA 0.572 5.202 4.640 -0.018 0.000 0.249 673 D C -1.721 174.606 176.300 0.045 0.000 1.168 673 D CA -0.102 53.900 54.000 0.003 0.000 0.870 673 D CB 1.083 41.855 40.800 -0.048 0.000 1.411 673 D HN 0.336 nan 8.370 nan 0.000 0.525 674 F N 3.167 123.046 119.950 -0.119 0.000 2.427 674 F HA 0.586 5.104 4.527 -0.015 0.000 0.348 674 F C -1.179 174.526 175.800 -0.159 0.000 1.125 674 F CA -0.423 57.474 58.000 -0.172 0.000 0.989 674 F CB 1.543 40.385 39.000 -0.265 0.000 1.165 674 F HN 0.228 nan 8.300 nan 0.000 0.442 675 S N 5.132 120.475 115.700 -0.596 0.000 2.500 675 S HA 0.769 5.228 4.470 -0.018 0.000 0.301 675 S C -0.896 173.351 174.600 -0.588 0.000 1.092 675 S CA -0.568 57.369 58.200 -0.438 0.000 1.030 675 S CB 1.064 64.116 63.200 -0.247 0.000 1.031 675 S HN 0.873 nan 8.310 nan 0.000 0.483 676 C N 2.063 121.147 119.300 -0.359 0.000 3.318 676 C HA 0.610 5.060 4.460 -0.018 0.000 0.329 676 C C 1.606 176.534 174.990 -0.103 0.000 1.449 676 C CA -0.884 57.980 59.018 -0.256 0.000 1.397 676 C CB 0.682 28.293 27.740 -0.216 0.000 1.810 676 C HN 0.867 nan 8.230 nan 0.000 0.449 677 N N 1.618 120.274 118.700 -0.073 0.000 2.104 677 N HA -0.180 4.550 4.740 -0.018 0.000 0.190 677 N C 1.013 176.472 175.510 -0.085 0.000 1.024 677 N CA 1.780 54.791 53.050 -0.064 0.000 0.853 677 N CB -0.411 38.045 38.487 -0.053 0.000 1.008 677 N HN 0.728 nan 8.380 nan 0.000 0.424 678 K N -0.414 119.914 120.400 -0.121 0.000 2.361 678 K HA 0.147 4.457 4.320 -0.018 0.000 0.196 678 K C -0.205 176.079 176.600 -0.526 0.000 1.039 678 K CA 0.118 56.209 56.287 -0.327 0.000 1.001 678 K CB 0.108 32.343 32.500 -0.441 0.000 0.795 678 K HN 0.277 nan 8.250 nan 0.000 0.495 679 F N 2.809 122.795 119.950 0.061 0.000 2.691 679 F HA 0.261 4.779 4.527 -0.015 0.000 0.371 679 F C -2.351 173.446 175.800 -0.005 0.000 1.159 679 F CA -2.237 55.806 58.000 0.072 0.000 1.174 679 F CB 1.887 40.963 39.000 0.128 0.000 1.419 679 F HN -0.189 nan 8.300 nan 0.000 0.514 680 P HA 0.247 nan 4.420 nan 0.000 0.284 680 P C -0.013 177.341 177.300 0.091 0.000 1.253 680 P CA 0.044 63.189 63.100 0.074 0.000 0.800 680 P CB 1.804 33.552 31.700 0.079 0.000 0.961 681 A N 3.157 125.991 122.820 0.025 0.000 2.466 681 A HA -0.182 4.128 4.320 -0.018 0.000 0.295 681 A C 0.290 177.914 177.584 0.066 0.000 1.465 681 A CA 0.330 52.386 52.037 0.031 0.000 0.744 681 A CB -2.512 16.517 19.000 0.048 0.000 1.098 681 A HN 0.481 nan 8.150 nan 0.000 0.402 682 I N 1.311 121.929 120.570 0.080 0.000 2.441 682 I HA 0.234 4.393 4.170 -0.018 0.000 0.287 682 I C 0.592 176.750 176.117 0.069 0.000 1.049 682 I CA -0.265 61.093 61.300 0.096 0.000 1.381 682 I CB 0.908 38.981 38.000 0.122 0.000 1.409 682 I HN 0.288 nan 8.210 nan 0.000 0.523 683 K N 5.308 125.734 120.400 0.043 0.000 2.156 683 K HA 0.875 5.185 4.320 -0.018 0.000 0.250 683 K C -0.827 175.781 176.600 0.013 0.000 0.955 683 K CA -0.740 55.559 56.287 0.020 0.000 0.855 683 K CB 2.235 34.731 32.500 -0.006 0.000 1.101 683 K HN 0.670 nan 8.250 nan 0.000 0.434 684 A N 1.711 124.534 122.820 0.005 0.000 2.572 684 A HA 0.796 5.106 4.320 -0.018 0.000 0.295 684 A C -1.341 176.237 177.584 -0.010 0.000 1.072 684 A CA -0.776 51.262 52.037 0.001 0.000 0.691 684 A CB 1.830 20.840 19.000 0.016 0.000 1.291 684 A HN 0.772 nan 8.150 nan 0.000 0.404 685 M N 1.959 121.550 119.600 -0.015 0.000 2.421 685 M HA 0.764 5.234 4.480 -0.018 0.000 0.287 685 M C -2.590 173.700 176.300 -0.015 0.000 1.183 685 M CA -0.841 54.446 55.300 -0.023 0.000 0.916 685 M CB 1.966 34.540 32.600 -0.043 0.000 1.701 685 M HN 0.863 nan 8.290 nan 0.000 0.470 686 L N 3.148 124.365 121.223 -0.009 0.000 2.476 686 L HA 0.558 4.887 4.340 -0.018 0.000 0.269 686 L C -1.318 175.547 176.870 -0.008 0.000 0.965 686 L CA 0.136 54.972 54.840 -0.007 0.000 0.845 686 L CB 2.299 44.361 42.059 0.005 0.000 1.259 686 L HN 0.782 nan 8.230 nan 0.000 0.403 687 S N 5.492 121.185 115.700 -0.012 0.000 2.523 687 S HA 0.729 5.189 4.470 -0.018 0.000 0.275 687 S C -0.398 174.198 174.600 -0.006 0.000 1.281 687 S CA -0.334 57.860 58.200 -0.010 0.000 1.050 687 S CB 0.019 63.212 63.200 -0.012 0.000 0.937 687 S HN 0.500 nan 8.310 nan 0.000 0.492 688 I N 3.908 124.477 120.570 -0.002 0.000 2.466 688 I HA 0.318 4.477 4.170 -0.018 0.000 0.289 688 I C -0.778 175.339 176.117 0.001 0.000 1.026 688 I CA -0.797 60.502 61.300 -0.001 0.000 1.078 688 I CB 2.052 40.054 38.000 0.003 0.000 1.249 688 I HN 0.470 nan 8.210 nan 0.000 0.429 689 D N 6.440 126.840 120.400 -0.001 0.000 2.339 689 D HA 0.223 4.853 4.640 -0.018 0.000 0.241 689 D C -0.410 175.891 176.300 0.002 0.000 1.183 689 D CA -0.023 53.977 54.000 0.001 0.000 0.859 689 D CB 2.201 43.001 40.800 -0.001 0.000 1.067 689 D HN 0.061 nan 8.370 nan 0.000 0.484 690 V N 2.506 122.423 119.914 0.005 0.000 2.364 690 V HA 0.427 4.537 4.120 -0.018 0.000 0.272 690 V C 0.728 176.825 176.094 0.005 0.000 1.036 690 V CA -0.772 61.532 62.300 0.005 0.000 0.880 690 V CB 1.126 32.954 31.823 0.009 0.000 0.991 690 V HN 0.590 nan 8.190 nan 0.000 0.460 691 A N 3.966 126.788 122.820 0.003 0.000 2.287 691 A HA 0.603 4.912 4.320 -0.018 0.000 0.273 691 A C 0.257 177.844 177.584 0.004 0.000 1.091 691 A CA -0.270 51.770 52.037 0.003 0.000 0.817 691 A CB 0.530 19.531 19.000 0.002 0.000 1.069 691 A HN 0.819 nan 8.150 nan 0.000 0.492 692 E N 0.000 120.203 120.200 0.005 0.000 2.725 692 E HA 0.000 4.339 4.350 -0.018 0.000 0.291 692 E CA 0.000 56.403 56.400 0.005 0.000 0.976 692 E CB 0.000 29.704 29.700 0.006 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440