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 1l9m_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 XGLETEEQEP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.011 0.000 1.274 1 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 2 A N 1.196 124.007 122.820 -0.015 0.000 2.407 2 A HA 0.579 4.898 4.320 -0.002 0.000 0.248 2 A C 0.293 177.865 177.584 -0.020 0.000 1.082 2 A CA -0.235 51.792 52.037 -0.017 0.000 0.785 2 A CB 0.107 19.093 19.000 -0.023 0.000 1.020 2 A HN 2.053 nan 8.150 nan 0.000 0.489 3 L N 1.999 123.211 121.223 -0.018 0.000 2.540 3 L HA 0.472 4.811 4.340 -0.002 0.000 0.276 3 L C 0.552 177.400 176.870 -0.036 0.000 1.212 3 L CA 1.515 56.342 54.840 -0.022 0.000 0.893 3 L CB 0.134 42.185 42.059 -0.014 0.000 1.138 3 L HN 0.848 nan 8.230 nan 0.000 0.491 4 G N 3.861 112.638 108.800 -0.039 0.000 2.718 4 G HA2 0.533 4.492 3.960 -0.002 0.000 0.295 4 G HA3 0.533 4.492 3.960 -0.002 0.000 0.295 4 G C -1.749 173.122 174.900 -0.048 0.000 1.421 4 G CA -0.685 44.386 45.100 -0.048 0.000 0.902 4 G HN 0.497 nan 8.290 nan 0.000 0.501 5 V N 1.605 121.484 119.914 -0.058 0.000 2.498 5 V HA 0.177 4.296 4.120 -0.002 0.000 0.279 5 V C 0.963 177.031 176.094 -0.042 0.000 1.048 5 V CA 0.030 62.296 62.300 -0.057 0.000 0.967 5 V CB 1.278 33.058 31.823 -0.073 0.000 0.988 5 V HN 0.903 nan 8.190 nan 0.000 0.473 6 Q N 2.712 122.489 119.800 -0.037 0.000 2.226 6 Q HA 0.147 4.485 4.340 -0.002 0.000 0.199 6 Q C 0.656 176.641 176.000 -0.024 0.000 0.945 6 Q CA 0.933 56.720 55.803 -0.027 0.000 0.861 6 Q CB 0.684 29.407 28.738 -0.023 0.000 0.953 6 Q HN 0.873 nan 8.270 nan 0.000 0.490 7 S N -0.817 114.861 115.700 -0.037 0.000 2.615 7 S HA 0.624 5.093 4.470 -0.002 0.000 0.269 7 S C -1.428 173.120 174.600 -0.087 0.000 1.161 7 S CA -0.955 57.220 58.200 -0.040 0.000 0.817 7 S CB 1.760 64.945 63.200 -0.026 0.000 1.131 7 S HN 0.162 nan 8.310 nan 0.000 0.467 8 I N 1.635 122.131 120.570 -0.124 0.000 2.582 8 I HA 0.597 4.766 4.170 -0.002 0.000 0.292 8 I C -1.490 174.443 176.117 -0.307 0.000 1.066 8 I CA -0.477 60.652 61.300 -0.286 0.000 1.053 8 I CB 2.100 39.814 38.000 -0.476 0.000 1.241 8 I HN 0.829 nan 8.210 nan 0.000 0.421 9 N N 6.314 124.829 118.700 -0.308 0.000 2.518 9 N HA 0.184 4.923 4.740 -0.002 0.000 0.254 9 N C -0.361 175.052 175.510 -0.162 0.000 0.979 9 N CA -0.371 52.585 53.050 -0.157 0.000 0.930 9 N CB 0.739 39.185 38.487 -0.068 0.000 1.152 9 N HN 0.725 nan 8.380 nan 0.000 0.505 10 W N 1.895 123.244 121.300 0.083 0.000 2.825 10 W HA 0.088 4.746 4.660 -0.002 0.000 0.243 10 W C 0.862 177.445 176.519 0.107 0.000 1.293 10 W CA -0.168 57.239 57.345 0.103 0.000 1.403 10 W CB -0.025 29.489 29.460 0.090 0.000 1.134 10 W HN 0.506 nan 8.180 nan 0.000 0.666 11 Q N -0.277 119.676 119.800 0.256 0.000 2.416 11 Q HA -0.272 4.067 4.340 -0.002 0.000 0.319 11 Q C 0.976 177.130 176.000 0.257 0.000 1.318 11 Q CA 0.827 56.763 55.803 0.220 0.000 0.915 11 Q CB -2.153 26.701 28.738 0.193 0.000 1.184 11 Q HN 0.296 nan 8.270 nan 0.000 0.444 12 T N -0.397 114.290 114.554 0.223 0.000 2.653 12 T HA -0.274 4.075 4.350 -0.002 0.000 0.268 12 T C 1.864 176.621 174.700 0.095 0.000 1.035 12 T CA 1.741 63.925 62.100 0.140 0.000 1.154 12 T CB -0.185 68.748 68.868 0.108 0.000 0.862 12 T HN 0.684 nan 8.240 nan 0.000 0.441 13 A N 1.018 123.907 122.820 0.114 0.000 1.877 13 A HA -0.041 4.278 4.320 -0.002 0.000 0.216 13 A C 2.065 179.702 177.584 0.089 0.000 1.186 13 A CA 1.680 53.769 52.037 0.088 0.000 0.620 13 A CB -1.075 17.983 19.000 0.097 0.000 0.822 13 A HN 0.510 nan 8.150 nan 0.000 0.443 14 F N 1.345 121.308 119.950 0.021 0.000 2.069 14 F HA -0.228 4.297 4.527 -0.002 0.000 0.298 14 F C 2.149 177.953 175.800 0.006 0.000 1.113 14 F CA 2.201 60.211 58.000 0.016 0.000 1.214 14 F CB -0.199 38.817 39.000 0.028 0.000 0.978 14 F HN 0.206 nan 8.300 nan 0.000 0.474 15 N N 0.627 119.303 118.700 -0.040 0.000 2.142 15 N HA -0.128 4.611 4.740 -0.002 0.000 0.186 15 N C 1.919 177.272 175.510 -0.262 0.000 1.023 15 N CA 1.319 54.254 53.050 -0.192 0.000 0.852 15 N CB -0.441 38.018 38.487 -0.047 0.000 0.998 15 N HN 0.400 nan 8.380 nan 0.000 0.424 16 R N 0.713 121.112 120.500 -0.167 0.000 2.092 16 R HA -0.051 4.287 4.340 -0.002 0.000 0.231 16 R C 2.150 178.359 176.300 -0.151 0.000 1.119 16 R CA 0.758 56.784 56.100 -0.123 0.000 0.970 16 R CB -0.118 30.156 30.300 -0.043 0.000 0.864 16 R HN 0.250 nan 8.270 nan 0.000 0.440 17 Q N 0.888 120.573 119.800 -0.191 0.000 2.079 17 Q HA -0.081 4.258 4.340 -0.002 0.000 0.200 17 Q C 1.896 177.666 176.000 -0.384 0.000 0.974 17 Q CA 1.948 57.619 55.803 -0.221 0.000 0.840 17 Q CB -0.035 28.601 28.738 -0.170 0.000 0.898 17 Q HN 0.326 nan 8.270 nan 0.000 0.430 18 A N -0.099 122.449 122.820 -0.454 0.000 1.968 18 A HA -0.131 4.188 4.320 -0.002 0.000 0.217 18 A C 1.653 178.842 177.584 -0.658 0.000 1.169 18 A CA 1.068 52.796 52.037 -0.514 0.000 0.638 18 A CB -0.683 18.032 19.000 -0.475 0.000 0.812 18 A HN 0.513 nan 8.150 nan 0.000 0.446 19 H N -1.621 117.082 119.070 -0.611 0.000 2.539 19 H HA 0.035 4.590 4.556 -0.002 0.000 0.267 19 H C -0.376 174.599 175.328 -0.587 0.000 0.982 19 H CA 0.338 56.075 56.048 -0.519 0.000 1.146 19 H CB 0.086 29.697 29.762 -0.252 0.000 1.382 19 H HN 0.655 nan 8.280 nan 0.000 0.577 20 H N 0.140 119.015 119.070 -0.325 0.000 2.770 20 H HA -0.117 4.437 4.556 -0.002 0.000 0.309 20 H C 0.778 176.022 175.328 -0.140 0.000 1.206 20 H CA 1.172 56.975 56.048 -0.407 0.000 1.147 20 H CB -2.331 26.760 29.762 -1.119 0.000 1.422 20 H HN 0.524 nan 8.280 nan 0.000 0.420 21 T N -3.420 111.171 114.554 0.062 0.000 3.170 21 T HA 0.027 4.376 4.350 -0.002 0.000 0.288 21 T C 1.204 176.052 174.700 0.246 0.000 0.992 21 T CA 0.172 62.450 62.100 0.297 0.000 0.909 21 T CB 0.469 69.507 68.868 0.283 0.000 1.133 21 T HN 0.398 nan 8.240 nan 0.000 0.530 22 D N 1.859 122.285 120.400 0.044 0.000 2.312 22 D HA -0.096 4.543 4.640 -0.002 0.000 0.211 22 D C 1.520 177.779 176.300 -0.068 0.000 0.964 22 D CA 0.363 54.364 54.000 0.002 0.000 0.877 22 D CB 0.020 40.794 40.800 -0.044 0.000 0.924 22 D HN 0.364 nan 8.370 nan 0.000 0.515 23 K N 0.006 120.243 120.400 -0.272 0.000 2.288 23 K HA 0.015 4.333 4.320 -0.002 0.000 0.201 23 K C 0.435 176.825 176.600 -0.350 0.000 1.048 23 K CA 0.016 55.960 56.287 -0.573 0.000 0.956 23 K CB -0.125 31.513 32.500 -1.437 0.000 0.746 23 K HN 0.169 nan 8.250 nan 0.000 0.461 24 F N 1.273 121.251 119.950 0.046 0.000 2.578 24 F HA -0.081 4.445 4.527 -0.002 0.000 0.376 24 F C 1.994 177.865 175.800 0.119 0.000 1.085 24 F CA 0.109 58.244 58.000 0.224 0.000 1.260 24 F CB 0.798 39.929 39.000 0.219 0.000 1.095 24 F HN -0.065 nan 8.300 nan 0.000 0.573 25 S N 1.821 117.713 115.700 0.321 0.000 2.419 25 S HA -0.152 4.317 4.470 -0.002 0.000 0.233 25 S C 1.340 176.036 174.600 0.160 0.000 1.016 25 S CA 0.782 59.097 58.200 0.192 0.000 0.974 25 S CB -0.199 63.102 63.200 0.169 0.000 0.786 25 S HN 0.656 nan 8.310 nan 0.000 0.492 26 S N 0.323 116.135 115.700 0.186 0.000 2.560 26 S HA 0.028 4.497 4.470 -0.002 0.000 0.276 26 S C 1.025 175.674 174.600 0.081 0.000 1.350 26 S CA -0.056 58.209 58.200 0.107 0.000 1.024 26 S CB 0.382 63.623 63.200 0.069 0.000 0.864 26 S HN 0.499 nan 8.310 nan 0.000 0.536 27 Q N 1.106 120.934 119.800 0.046 0.000 2.391 27 Q HA 0.186 4.525 4.340 -0.002 0.000 0.211 27 Q C 0.293 176.299 176.000 0.011 0.000 0.908 27 Q CA 0.365 56.190 55.803 0.036 0.000 0.920 27 Q CB -0.084 28.673 28.738 0.032 0.000 1.056 27 Q HN 0.752 nan 8.270 nan 0.000 0.523 28 E N 0.953 121.145 120.200 -0.013 0.000 2.461 28 E HA -0.031 4.318 4.350 -0.002 0.000 0.263 28 E C -0.274 176.282 176.600 -0.073 0.000 1.143 28 E CA -0.163 56.202 56.400 -0.058 0.000 0.994 28 E CB 0.485 30.141 29.700 -0.073 0.000 0.973 28 E HN -0.072 nan 8.360 nan 0.000 0.457 29 L N 2.906 124.051 121.223 -0.131 0.000 2.325 29 L HA 0.266 4.604 4.340 -0.002 0.000 0.284 29 L C -0.973 175.822 176.870 -0.124 0.000 1.089 29 L CA 0.534 55.282 54.840 -0.153 0.000 0.836 29 L CB 0.003 41.894 42.059 -0.281 0.000 1.184 29 L HN 0.319 nan 8.230 nan 0.000 0.444 30 I N 6.567 127.067 120.570 -0.116 0.000 2.378 30 I HA 0.430 4.599 4.170 -0.002 0.000 0.291 30 I C -0.489 175.555 176.117 -0.122 0.000 0.992 30 I CA -0.447 60.791 61.300 -0.102 0.000 1.154 30 I CB 1.341 39.269 38.000 -0.119 0.000 1.315 30 I HN 0.536 nan 8.210 nan 0.000 0.448 31 L N 5.688 126.852 121.223 -0.098 0.000 2.303 31 L HA 0.648 4.987 4.340 -0.002 0.000 0.256 31 L C -0.480 176.467 176.870 0.129 0.000 1.034 31 L CA -0.956 53.828 54.840 -0.094 0.000 0.832 31 L CB 2.212 43.991 42.059 -0.467 0.000 1.403 31 L HN 0.483 nan 8.230 nan 0.000 0.419 32 R N 0.409 121.109 120.500 0.333 0.000 2.637 32 R HA 0.472 4.811 4.340 -0.002 0.000 0.291 32 R C -0.833 175.529 176.300 0.104 0.000 0.963 32 R CA -0.961 55.252 56.100 0.189 0.000 0.901 32 R CB 2.033 32.445 30.300 0.186 0.000 1.160 32 R HN 0.568 nan 8.270 nan 0.000 0.457 33 R N 0.485 121.014 120.500 0.048 0.000 2.734 33 R HA 0.191 4.529 4.340 -0.002 0.000 0.266 33 R C 0.433 176.703 176.300 -0.049 0.000 1.044 33 R CA 0.554 56.627 56.100 -0.044 0.000 1.128 33 R CB 0.122 30.393 30.300 -0.048 0.000 1.010 33 R HN 0.804 nan 8.270 nan 0.000 0.461 34 G N 0.292 109.004 108.800 -0.146 0.000 2.153 34 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.252 34 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.252 34 G C -0.131 174.713 174.900 -0.093 0.000 0.994 34 G CA 0.751 45.775 45.100 -0.127 0.000 0.698 34 G HN 0.788 nan 8.290 nan 0.000 0.521 35 Q N -0.122 119.635 119.800 -0.071 0.000 2.347 35 Q HA 0.458 4.796 4.340 -0.002 0.000 0.271 35 Q C -0.459 175.606 176.000 0.108 0.000 1.064 35 Q CA -1.016 54.737 55.803 -0.082 0.000 0.800 35 Q CB 0.890 29.414 28.738 -0.358 0.000 1.304 35 Q HN 0.237 nan 8.270 nan 0.000 0.438 36 N N 2.795 121.545 118.700 0.083 0.000 2.508 36 N HA 0.289 5.028 4.740 -0.002 0.000 0.264 36 N C -0.870 174.868 175.510 0.380 0.000 1.216 36 N CA 0.407 53.530 53.050 0.122 0.000 0.943 36 N CB 0.305 38.795 38.487 0.005 0.000 1.113 36 N HN 0.423 nan 8.380 nan 0.000 0.447 37 F N -1.873 118.134 119.950 0.095 0.000 2.578 37 F HA 0.450 4.975 4.527 -0.002 0.000 0.311 37 F C -0.250 175.595 175.800 0.074 0.000 1.094 37 F CA -1.192 56.848 58.000 0.066 0.000 0.923 37 F CB 1.294 40.211 39.000 -0.139 0.000 1.230 37 F HN 0.258 nan 8.300 nan 0.000 0.450 38 Q N 2.699 122.630 119.800 0.219 0.000 2.282 38 Q HA 0.741 5.079 4.340 -0.002 0.000 0.260 38 Q C -1.306 174.757 176.000 0.105 0.000 0.964 38 Q CA -0.979 54.870 55.803 0.076 0.000 0.880 38 Q CB 2.316 31.109 28.738 0.092 0.000 1.286 38 Q HN 0.906 nan 8.270 nan 0.000 0.445 39 V N 1.283 121.190 119.914 -0.011 0.000 3.001 39 V HA 0.662 4.780 4.120 -0.002 0.000 0.314 39 V C -1.079 174.961 176.094 -0.089 0.000 1.099 39 V CA -1.022 61.255 62.300 -0.039 0.000 0.989 39 V CB 1.890 33.640 31.823 -0.123 0.000 1.040 39 V HN 0.749 nan 8.190 nan 0.000 0.434 40 L N 3.731 124.884 121.223 -0.116 0.000 2.325 40 L HA 0.647 4.986 4.340 -0.002 0.000 0.281 40 L C -0.419 176.374 176.870 -0.129 0.000 1.004 40 L CA -0.353 54.426 54.840 -0.100 0.000 0.823 40 L CB 1.746 43.756 42.059 -0.082 0.000 1.236 40 L HN 0.757 nan 8.230 nan 0.000 0.415 41 M N 5.168 124.713 119.600 -0.093 0.000 2.085 41 M HA 0.498 4.977 4.480 -0.002 0.000 0.309 41 M C -1.124 175.139 176.300 -0.063 0.000 0.947 41 M CA -0.405 54.839 55.300 -0.093 0.000 0.918 41 M CB 1.305 33.869 32.600 -0.060 0.000 1.504 41 M HN 0.478 nan 8.290 nan 0.000 0.420 42 I N 6.398 126.930 120.570 -0.064 0.000 2.312 42 I HA 0.198 4.367 4.170 -0.002 0.000 0.291 42 I C -0.048 176.044 176.117 -0.042 0.000 1.031 42 I CA -0.473 60.799 61.300 -0.046 0.000 1.293 42 I CB 0.949 38.925 38.000 -0.040 0.000 1.403 42 I HN 0.659 nan 8.210 nan 0.000 0.484 43 M N 5.332 124.911 119.600 -0.035 0.000 2.363 43 M HA 0.204 4.683 4.480 -0.002 0.000 0.280 43 M C 1.230 177.514 176.300 -0.026 0.000 1.182 43 M CA -0.446 54.834 55.300 -0.033 0.000 0.974 43 M CB 0.342 32.925 32.600 -0.029 0.000 1.452 43 M HN 0.535 nan 8.290 nan 0.000 0.507 44 N N 0.465 119.151 118.700 -0.025 0.000 2.422 44 N HA -0.013 4.726 4.740 -0.002 0.000 0.181 44 N C -0.240 175.261 175.510 -0.016 0.000 1.080 44 N CA 0.353 53.391 53.050 -0.020 0.000 0.893 44 N CB 0.630 39.105 38.487 -0.020 0.000 0.973 44 N HN 0.746 nan 8.380 nan 0.000 0.456 45 K N -2.025 118.365 120.400 -0.016 0.000 2.556 45 K HA 0.534 4.853 4.320 -0.002 0.000 0.289 45 K C -0.365 176.228 176.600 -0.011 0.000 1.040 45 K CA -0.926 55.353 56.287 -0.012 0.000 0.894 45 K CB 0.435 32.929 32.500 -0.011 0.000 1.547 45 K HN -0.140 nan 8.250 nan 0.000 0.417 46 G N 0.603 109.398 108.800 -0.008 0.000 2.491 46 G HA2 0.315 4.274 3.960 -0.002 0.000 0.242 46 G HA3 0.315 4.274 3.960 -0.002 0.000 0.242 46 G C -0.707 174.190 174.900 -0.004 0.000 1.266 46 G CA -0.586 44.510 45.100 -0.006 0.000 0.844 46 G HN 0.418 nan 8.290 nan 0.000 0.571 47 L N 2.242 123.464 121.223 -0.002 0.000 2.418 47 L HA 0.507 4.846 4.340 -0.002 0.000 0.274 47 L C 0.987 177.859 176.870 0.003 0.000 1.135 47 L CA 0.016 54.857 54.840 0.002 0.000 0.870 47 L CB 0.300 42.362 42.059 0.006 0.000 1.154 47 L HN 0.512 nan 8.230 nan 0.000 0.462 48 G N 2.425 111.228 108.800 0.005 0.000 2.444 48 G HA2 0.261 4.220 3.960 -0.002 0.000 0.268 48 G HA3 0.261 4.220 3.960 -0.002 0.000 0.268 48 G C 0.738 175.641 174.900 0.006 0.000 1.203 48 G CA 0.158 45.261 45.100 0.005 0.000 0.835 48 G HN 0.776 nan 8.290 nan 0.000 0.543 49 S N 0.890 116.592 115.700 0.004 0.000 2.400 49 S HA -0.193 4.276 4.470 -0.002 0.000 0.232 49 S C 1.815 176.415 174.600 -0.000 0.000 1.025 49 S CA 1.814 60.015 58.200 0.002 0.000 0.993 49 S CB -0.157 63.043 63.200 0.000 0.000 0.808 49 S HN 0.631 nan 8.310 nan 0.000 0.478 50 N N 0.786 119.487 118.700 0.003 0.000 2.251 50 N HA 0.192 4.931 4.740 -0.002 0.000 0.217 50 N C -0.456 175.061 175.510 0.013 0.000 1.124 50 N CA -0.158 52.894 53.050 0.003 0.000 0.843 50 N CB 0.405 38.895 38.487 0.005 0.000 1.024 50 N HN 0.492 nan 8.380 nan 0.000 0.501 51 E N -0.058 120.152 120.200 0.018 0.000 2.243 51 E HA 0.458 4.806 4.350 -0.002 0.000 0.260 51 E C -0.573 176.047 176.600 0.034 0.000 0.985 51 E CA -0.856 55.569 56.400 0.042 0.000 0.858 51 E CB 2.154 31.876 29.700 0.036 0.000 1.210 51 E HN 0.053 nan 8.360 nan 0.000 0.411 52 R N 1.187 121.735 120.500 0.080 0.000 2.594 52 R HA 0.380 4.719 4.340 -0.002 0.000 0.265 52 R C -1.921 174.461 176.300 0.137 0.000 1.070 52 R CA -0.485 55.646 56.100 0.052 0.000 0.909 52 R CB 1.051 31.289 30.300 -0.103 0.000 1.243 52 R HN 0.448 nan 8.270 nan 0.000 0.455 53 L N 3.141 124.400 121.223 0.060 0.000 2.341 53 L HA 0.538 4.876 4.340 -0.002 0.000 0.278 53 L C -0.430 176.420 176.870 -0.034 0.000 1.005 53 L CA -0.874 53.951 54.840 -0.024 0.000 0.818 53 L CB 2.058 44.038 42.059 -0.132 0.000 1.259 53 L HN 0.553 nan 8.230 nan 0.000 0.418 54 E N 3.199 123.349 120.200 -0.083 0.000 2.185 54 E HA 0.378 4.727 4.350 -0.002 0.000 0.261 54 E C -1.204 175.215 176.600 -0.301 0.000 0.879 54 E CA -0.524 55.833 56.400 -0.070 0.000 0.756 54 E CB 2.194 31.956 29.700 0.103 0.000 1.152 54 E HN 0.236 nan 8.360 nan 0.000 0.416 55 F N 2.367 122.042 119.950 -0.460 0.000 2.389 55 F HA 0.359 4.885 4.527 -0.002 0.000 0.337 55 F C 0.788 176.234 175.800 -0.590 0.000 1.112 55 F CA -0.241 57.383 58.000 -0.627 0.000 1.192 55 F CB 0.689 39.032 39.000 -1.094 0.000 1.185 55 F HN 0.248 nan 8.300 nan 0.000 0.552 56 I N 3.781 124.277 120.570 -0.124 0.000 2.500 56 I HA 0.396 4.565 4.170 -0.002 0.000 0.286 56 I C -1.135 175.027 176.117 0.075 0.000 1.063 56 I CA -1.008 60.276 61.300 -0.028 0.000 1.062 56 I CB 1.737 39.726 38.000 -0.019 0.000 1.223 56 I HN 0.316 nan 8.210 nan 0.000 0.435 57 V N 2.708 122.660 119.914 0.064 0.000 2.628 57 V HA 0.961 5.080 4.120 -0.002 0.000 0.306 57 V C -0.159 175.970 176.094 0.058 0.000 1.045 57 V CA -0.381 61.968 62.300 0.082 0.000 0.905 57 V CB 1.681 33.429 31.823 -0.125 0.000 0.997 57 V HN 0.830 nan 8.190 nan 0.000 0.436 58 S N 1.525 117.287 115.700 0.104 0.000 2.550 58 S HA 0.812 5.280 4.470 -0.002 0.000 0.270 58 S C -0.628 173.831 174.600 -0.236 0.000 1.145 58 S CA -0.364 57.824 58.200 -0.021 0.000 0.852 58 S CB 1.811 64.994 63.200 -0.028 0.000 1.119 58 S HN 1.521 nan 8.310 nan 0.000 0.465 59 T N 0.223 114.552 114.554 -0.376 0.000 2.916 59 T HA 0.761 5.110 4.350 -0.002 0.000 0.305 59 T C 0.187 174.730 174.700 -0.261 0.000 1.119 59 T CA 0.932 62.709 62.100 -0.539 0.000 1.008 59 T CB 0.753 68.953 68.868 -1.113 0.000 1.129 59 T HN 2.543 nan 8.240 nan 0.000 0.480 60 G N 4.440 113.126 108.800 -0.190 0.000 2.756 60 G HA2 -0.078 3.881 3.960 -0.002 0.000 0.678 60 G HA3 -0.078 3.881 3.960 -0.002 0.000 0.678 60 G C -1.905 172.937 174.900 -0.096 0.000 1.349 60 G CA -0.165 44.900 45.100 -0.060 0.000 0.847 60 G HN 0.671 nan 8.290 nan 0.000 0.548 61 P HA 0.105 nan 4.420 nan 0.000 0.236 61 P C -0.077 176.821 177.300 -0.670 0.000 1.177 61 P CA 1.194 64.050 63.100 -0.406 0.000 0.773 61 P CB 0.139 31.543 31.700 -0.494 0.000 0.878 62 Y N 0.151 120.435 120.300 -0.028 0.000 2.477 62 Y HA 0.397 4.945 4.550 -0.002 0.000 0.340 62 Y C -2.417 173.466 175.900 -0.028 0.000 0.987 62 Y CA -2.916 55.165 58.100 -0.032 0.000 1.127 62 Y CB 0.097 38.530 38.460 -0.044 0.000 1.139 62 Y HN -0.061 nan 8.280 nan 0.000 0.637 63 P HA 0.129 nan 4.420 nan 0.000 0.267 63 P C -0.260 177.072 177.300 0.054 0.000 1.209 63 P CA 0.344 63.461 63.100 0.028 0.000 0.763 63 P CB 0.859 32.551 31.700 -0.013 0.000 0.816 64 S N 0.858 116.592 115.700 0.057 0.000 2.548 64 S HA 0.298 4.766 4.470 -0.002 0.000 0.276 64 S C 0.709 175.347 174.600 0.063 0.000 1.129 64 S CA -0.825 57.409 58.200 0.057 0.000 0.931 64 S CB 1.801 65.032 63.200 0.053 0.000 1.068 64 S HN 0.338 nan 8.310 nan 0.000 0.480 65 E N 1.741 121.980 120.200 0.065 0.000 2.085 65 E HA -0.162 4.187 4.350 -0.002 0.000 0.194 65 E C 1.982 178.631 176.600 0.080 0.000 0.994 65 E CA 1.806 58.255 56.400 0.081 0.000 0.801 65 E CB -0.189 29.559 29.700 0.080 0.000 0.743 65 E HN 0.881 nan 8.360 nan 0.000 0.453 66 S N 0.764 116.501 115.700 0.062 0.000 2.419 66 S HA -0.096 4.373 4.470 -0.002 0.000 0.233 66 S C 2.031 176.664 174.600 0.055 0.000 1.016 66 S CA 0.981 59.214 58.200 0.054 0.000 0.974 66 S CB -0.064 63.159 63.200 0.038 0.000 0.786 66 S HN 0.276 nan 8.310 nan 0.000 0.492 67 A N 0.791 123.644 122.820 0.055 0.000 2.251 67 A HA 0.480 4.799 4.320 -0.002 0.000 0.209 67 A C 1.186 178.816 177.584 0.078 0.000 1.187 67 A CA 0.553 52.621 52.037 0.051 0.000 0.823 67 A CB -0.496 18.527 19.000 0.039 0.000 0.846 67 A HN 0.369 nan 8.150 nan 0.000 0.486 68 M N -1.637 118.028 119.600 0.107 0.000 2.939 68 M HA -0.163 4.315 4.480 -0.002 0.000 0.194 68 M C 0.993 177.410 176.300 0.194 0.000 0.617 68 M CA 1.662 57.061 55.300 0.165 0.000 0.734 68 M CB -3.265 29.434 32.600 0.165 0.000 2.637 68 M HN 0.740 nan 8.290 nan 0.000 0.316 69 T N -2.600 112.029 114.554 0.125 0.000 3.163 69 T HA 0.413 4.761 4.350 -0.002 0.000 0.252 69 T C 0.360 175.099 174.700 0.066 0.000 1.056 69 T CA 0.266 62.418 62.100 0.087 0.000 0.947 69 T CB 0.813 69.698 68.868 0.029 0.000 1.016 69 T HN 0.511 nan 8.240 nan 0.000 0.554 70 K N 0.247 120.702 120.400 0.092 0.000 2.543 70 K HA 0.645 4.964 4.320 -0.002 0.000 0.255 70 K C -2.167 174.462 176.600 0.049 0.000 0.934 70 K CA -0.712 55.606 56.287 0.053 0.000 0.810 70 K CB 2.040 34.566 32.500 0.044 0.000 1.315 70 K HN 0.130 nan 8.250 nan 0.000 0.433 71 A N 2.796 125.604 122.820 -0.020 0.000 2.427 71 A HA 0.623 4.942 4.320 -0.002 0.000 0.298 71 A C -1.580 176.107 177.584 0.171 0.000 1.036 71 A CA -0.660 51.391 52.037 0.023 0.000 0.701 71 A CB 1.763 20.591 19.000 -0.286 0.000 1.250 71 A HN 0.309 nan 8.150 nan 0.000 0.412 72 V N 2.949 123.011 119.914 0.248 0.000 2.378 72 V HA 0.723 4.842 4.120 -0.002 0.000 0.288 72 V C -1.037 175.270 176.094 0.356 0.000 1.016 72 V CA -0.367 62.055 62.300 0.204 0.000 0.840 72 V CB 0.454 32.347 31.823 0.117 0.000 0.994 72 V HN 0.834 nan 8.190 nan 0.000 0.431 73 F N 4.735 124.780 119.950 0.159 0.000 2.578 73 F HA 0.928 5.454 4.527 -0.002 0.000 0.311 73 F C -3.019 172.919 175.800 0.230 0.000 1.094 73 F CA -3.262 54.844 58.000 0.176 0.000 0.923 73 F CB 1.782 40.895 39.000 0.188 0.000 1.230 73 F HN 0.268 nan 8.300 nan 0.000 0.450 74 P HA 0.251 nan 4.420 nan 0.000 0.284 74 P C -0.940 176.510 177.300 0.250 0.000 1.258 74 P CA -0.484 62.727 63.100 0.185 0.000 0.824 74 P CB 2.402 34.163 31.700 0.102 0.000 1.038 75 L N 2.296 123.671 121.223 0.254 0.000 2.418 75 L HA 0.158 4.497 4.340 -0.002 0.000 0.274 75 L C 0.489 177.439 176.870 0.132 0.000 1.135 75 L CA 0.582 55.570 54.840 0.246 0.000 0.870 75 L CB 0.261 42.486 42.059 0.278 0.000 1.154 75 L HN 0.639 nan 8.230 nan 0.000 0.462 76 S N 2.500 118.261 115.700 0.101 0.000 2.811 76 S HA 0.382 4.851 4.470 -0.002 0.000 0.311 76 S C 0.221 174.844 174.600 0.038 0.000 1.152 76 S CA -0.909 57.329 58.200 0.063 0.000 0.864 76 S CB 1.580 64.818 63.200 0.064 0.000 1.226 76 S HN 0.671 nan 8.310 nan 0.000 0.541 77 N N -0.445 118.270 118.700 0.026 0.000 2.325 77 N HA 0.250 4.989 4.740 -0.002 0.000 0.182 77 N C 0.351 175.866 175.510 0.008 0.000 1.088 77 N CA 0.108 53.166 53.050 0.014 0.000 0.879 77 N CB 0.373 38.866 38.487 0.010 0.000 0.983 77 N HN 0.753 nan 8.380 nan 0.000 0.471 78 G N -0.193 108.614 108.800 0.012 0.000 2.571 78 G HA2 0.346 4.304 3.960 -0.002 0.000 0.304 78 G HA3 0.346 4.304 3.960 -0.002 0.000 0.304 78 G C -0.982 173.921 174.900 0.005 0.000 1.314 78 G CA -0.288 44.816 45.100 0.005 0.000 0.975 78 G HN -0.065 nan 8.290 nan 0.000 0.485 79 S N -0.486 115.208 115.700 -0.009 0.000 2.614 79 S HA 0.716 5.184 4.470 -0.002 0.000 0.265 79 S C 0.951 175.544 174.600 -0.011 0.000 1.303 79 S CA 0.436 58.625 58.200 -0.019 0.000 1.000 79 S CB 0.787 63.964 63.200 -0.039 0.000 0.935 79 S HN 1.411 nan 8.310 nan 0.000 0.551 80 S N 2.296 117.986 115.700 -0.017 0.000 3.952 80 S HA 0.728 5.197 4.470 -0.002 0.000 0.293 80 S C 1.040 175.625 174.600 -0.025 0.000 1.090 80 S CA -0.313 57.883 58.200 -0.007 0.000 1.264 80 S CB 0.080 63.293 63.200 0.022 0.000 1.393 80 S HN 0.908 nan 8.310 nan 0.000 0.757 81 G N 0.737 109.532 108.800 -0.008 0.000 2.355 81 G HA2 0.330 4.288 3.960 -0.002 0.000 0.175 81 G HA3 0.330 4.288 3.960 -0.002 0.000 0.175 81 G C 1.131 175.995 174.900 -0.060 0.000 1.624 81 G CA 0.263 45.352 45.100 -0.017 0.000 1.021 81 G HN 1.069 nan 8.290 nan 0.000 0.465 82 G N -0.323 108.452 108.800 -0.043 0.000 2.981 82 G HA2 -0.062 3.897 3.960 -0.002 0.000 0.199 82 G HA3 -0.062 3.897 3.960 -0.002 0.000 0.199 82 G C 0.131 174.870 174.900 -0.268 0.000 1.434 82 G CA 0.555 45.577 45.100 -0.130 0.000 0.800 82 G HN 0.458 nan 8.290 nan 0.000 0.702 83 W N 0.933 122.059 121.300 -0.289 0.000 2.261 83 W HA 0.532 5.191 4.660 -0.002 0.000 0.323 83 W C 0.418 176.491 176.519 -0.744 0.000 1.243 83 W CA 0.100 57.038 57.345 -0.677 0.000 1.210 83 W CB 1.059 29.878 29.460 -1.069 0.000 1.149 83 W HN 0.534 nan 8.180 nan 0.000 0.562 84 S N 1.120 116.516 115.700 -0.507 0.000 2.547 84 S HA 0.878 5.346 4.470 -0.002 0.000 0.270 84 S C -1.246 173.343 174.600 -0.018 0.000 1.150 84 S CA -1.181 56.936 58.200 -0.139 0.000 0.850 84 S CB 1.599 64.758 63.200 -0.068 0.000 1.118 84 S HN 0.905 nan 8.310 nan 0.000 0.461 85 A N 1.539 124.458 122.820 0.166 0.000 2.343 85 A HA 0.782 5.101 4.320 -0.002 0.000 0.308 85 A C -1.016 176.558 177.584 -0.018 0.000 1.092 85 A CA -0.763 51.252 52.037 -0.036 0.000 0.751 85 A CB 1.353 20.201 19.000 -0.254 0.000 1.203 85 A HN 1.122 nan 8.150 nan 0.000 0.452 86 V N 3.179 123.051 119.914 -0.070 0.000 2.495 86 V HA 0.351 4.470 4.120 -0.002 0.000 0.298 86 V C -0.467 175.608 176.094 -0.032 0.000 1.031 86 V CA -0.591 61.689 62.300 -0.032 0.000 0.871 86 V CB 1.549 33.348 31.823 -0.039 0.000 0.988 86 V HN 0.828 nan 8.190 nan 0.000 0.432 87 L N 5.086 126.308 121.223 -0.001 0.000 2.342 87 L HA 0.321 4.660 4.340 -0.002 0.000 0.285 87 L C 1.085 177.950 176.870 -0.010 0.000 1.095 87 L CA 0.873 55.715 54.840 0.002 0.000 0.843 87 L CB 0.808 42.879 42.059 0.021 0.000 1.201 87 L HN 0.738 nan 8.230 nan 0.000 0.445 88 Q N 4.035 123.822 119.800 -0.022 0.000 2.302 88 Q HA 0.437 4.775 4.340 -0.002 0.000 0.202 88 Q C 0.024 176.012 176.000 -0.020 0.000 0.936 88 Q CA 0.699 56.489 55.803 -0.023 0.000 0.886 88 Q CB 0.426 29.145 28.738 -0.031 0.000 0.986 88 Q HN 0.787 nan 8.270 nan 0.000 0.487 89 A N -0.039 122.769 122.820 -0.020 0.000 2.599 89 A HA 0.589 4.908 4.320 -0.002 0.000 0.294 89 A C -1.322 176.252 177.584 -0.017 0.000 1.055 89 A CA -0.648 51.377 52.037 -0.019 0.000 0.683 89 A CB 1.709 20.694 19.000 -0.025 0.000 1.278 89 A HN -0.042 nan 8.150 nan 0.000 0.412 90 S N 1.776 117.468 115.700 -0.014 0.000 2.707 90 S HA 0.606 5.075 4.470 -0.002 0.000 0.303 90 S C -1.029 173.562 174.600 -0.015 0.000 1.132 90 S CA -0.711 57.481 58.200 -0.013 0.000 1.046 90 S CB 0.892 64.088 63.200 -0.007 0.000 1.004 90 S HN 0.573 nan 8.310 nan 0.000 0.483 91 N N 2.125 120.814 118.700 -0.018 0.000 2.448 91 N HA 0.487 5.226 4.740 -0.002 0.000 0.279 91 N C 0.750 176.250 175.510 -0.017 0.000 1.025 91 N CA 0.015 53.054 53.050 -0.018 0.000 0.898 91 N CB 1.814 40.288 38.487 -0.022 0.000 1.303 91 N HN 0.833 nan 8.380 nan 0.000 0.495 92 G N 3.427 112.218 108.800 -0.014 0.000 2.602 92 G HA2 -0.383 3.576 3.960 -0.002 0.000 0.310 92 G HA3 -0.383 3.576 3.960 -0.002 0.000 0.310 92 G C 0.501 175.393 174.900 -0.013 0.000 1.183 92 G CA 0.248 45.340 45.100 -0.013 0.000 0.979 92 G HN 0.580 nan 8.290 nan 0.000 0.545 93 N N 1.258 119.949 118.700 -0.016 0.000 2.205 93 N HA 0.198 4.937 4.740 -0.002 0.000 0.201 93 N C 0.142 175.639 175.510 -0.021 0.000 1.128 93 N CA 0.801 53.841 53.050 -0.017 0.000 0.867 93 N CB 0.665 39.141 38.487 -0.017 0.000 0.996 93 N HN 0.495 nan 8.380 nan 0.000 0.503 94 T N 1.779 116.319 114.554 -0.023 0.000 2.771 94 T HA 0.424 4.773 4.350 -0.002 0.000 0.291 94 T C 0.363 175.048 174.700 -0.025 0.000 0.954 94 T CA -0.254 61.829 62.100 -0.028 0.000 1.045 94 T CB 1.171 70.020 68.868 -0.032 0.000 0.917 94 T HN -0.047 nan 8.240 nan 0.000 0.484 95 L N 3.331 124.539 121.223 -0.025 0.000 2.296 95 L HA 0.405 4.743 4.340 -0.002 0.000 0.286 95 L C 0.455 177.309 176.870 -0.026 0.000 1.023 95 L CA -0.796 54.035 54.840 -0.015 0.000 0.812 95 L CB 1.336 43.399 42.059 0.006 0.000 1.223 95 L HN 0.550 nan 8.230 nan 0.000 0.421 96 T N 4.817 119.352 114.554 -0.031 0.000 2.727 96 T HA 0.557 4.905 4.350 -0.002 0.000 0.298 96 T C -0.000 174.673 174.700 -0.045 0.000 0.942 96 T CA -0.069 62.003 62.100 -0.047 0.000 0.997 96 T CB 0.275 69.112 68.868 -0.053 0.000 0.917 96 T HN 0.270 nan 8.240 nan 0.000 0.487 97 I N 2.126 122.659 120.570 -0.060 0.000 2.474 97 I HA 0.424 4.592 4.170 -0.002 0.000 0.294 97 I C 0.273 176.298 176.117 -0.153 0.000 1.005 97 I CA -0.805 60.441 61.300 -0.090 0.000 1.113 97 I CB 2.078 40.032 38.000 -0.078 0.000 1.289 97 I HN 0.441 nan 8.210 nan 0.000 0.436 98 S N 6.898 122.496 115.700 -0.170 0.000 2.520 98 S HA 0.591 5.060 4.470 -0.002 0.000 0.324 98 S C -0.546 173.859 174.600 -0.326 0.000 1.069 98 S CA -0.540 57.532 58.200 -0.213 0.000 1.121 98 S CB 0.129 63.257 63.200 -0.119 0.000 0.971 98 S HN 0.398 nan 8.310 nan 0.000 0.463 99 I N 3.777 123.993 120.570 -0.590 0.000 2.353 99 I HA 0.372 4.541 4.170 -0.002 0.000 0.293 99 I C 0.462 176.236 176.117 -0.573 0.000 0.992 99 I CA -0.392 60.514 61.300 -0.657 0.000 1.268 99 I CB 1.787 39.208 38.000 -0.964 0.000 1.387 99 I HN 0.503 nan 8.210 nan 0.000 0.478 100 S N 4.226 119.733 115.700 -0.322 0.000 2.568 100 S HA 0.754 5.223 4.470 -0.002 0.000 0.302 100 S C -0.514 173.849 174.600 -0.395 0.000 1.082 100 S CA -0.477 57.568 58.200 -0.259 0.000 1.009 100 S CB 1.523 64.595 63.200 -0.213 0.000 1.069 100 S HN 0.720 nan 8.310 nan 0.000 0.500 101 S N 2.797 118.172 115.700 -0.541 0.000 2.599 101 S HA 0.768 5.236 4.470 -0.002 0.000 0.287 101 S C -3.223 170.915 174.600 -0.771 0.000 1.105 101 S CA -1.487 55.985 58.200 -1.213 0.000 0.899 101 S CB 1.759 64.075 63.200 -1.472 0.000 1.100 101 S HN 0.591 nan 8.310 nan 0.000 0.482 102 P HA 0.291 nan 4.420 nan 0.000 0.278 102 P C 0.497 177.656 177.300 -0.235 0.000 1.238 102 P CA -0.371 62.505 63.100 -0.374 0.000 0.794 102 P CB 1.097 32.643 31.700 -0.255 0.000 0.955 103 A N 2.844 125.590 122.820 -0.123 0.000 2.172 103 A HA -0.096 4.222 4.320 -0.002 0.000 0.216 103 A C 1.730 179.323 177.584 0.015 0.000 1.154 103 A CA 1.635 53.649 52.037 -0.039 0.000 0.701 103 A CB -1.097 17.895 19.000 -0.012 0.000 0.789 103 A HN 0.633 nan 8.150 nan 0.000 0.465 104 S N -1.066 114.635 115.700 0.002 0.000 2.572 104 S HA 0.604 5.073 4.470 -0.002 0.000 0.228 104 S C 0.668 175.310 174.600 0.069 0.000 0.963 104 S CA 0.188 58.420 58.200 0.054 0.000 0.939 104 S CB -0.405 62.825 63.200 0.051 0.000 0.804 104 S HN 0.742 nan 8.310 nan 0.000 0.480 105 A N 2.659 125.501 122.820 0.036 0.000 2.462 105 A HA 0.577 4.896 4.320 -0.002 0.000 0.243 105 A C -2.609 175.061 177.584 0.144 0.000 1.076 105 A CA -1.294 50.819 52.037 0.127 0.000 0.773 105 A CB -0.354 18.680 19.000 0.057 0.000 1.010 105 A HN 0.325 nan 8.150 nan 0.000 0.493 106 P HA 0.246 nan 4.420 nan 0.000 0.271 106 P C -0.070 177.323 177.300 0.156 0.000 1.216 106 P CA -0.039 63.147 63.100 0.144 0.000 0.776 106 P CB 0.502 32.288 31.700 0.143 0.000 0.881 107 I N -0.313 120.221 120.570 -0.060 0.000 3.021 107 I HA 0.820 4.989 4.170 -0.002 0.000 0.303 107 I C 0.704 176.834 176.117 0.022 0.000 1.044 107 I CA -0.257 60.993 61.300 -0.084 0.000 1.266 107 I CB 0.363 38.105 38.000 -0.430 0.000 1.447 107 I HN 0.614 nan 8.210 nan 0.000 0.593 108 G N 2.388 111.213 108.800 0.040 0.000 2.331 108 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.479 108 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.479 108 G C -0.990 173.894 174.900 -0.026 0.000 1.262 108 G CA -1.068 44.017 45.100 -0.026 0.000 1.029 108 G HN 0.850 nan 8.290 nan 0.000 0.487 109 R N -0.428 119.984 120.500 -0.146 0.000 2.340 109 R HA 0.552 4.891 4.340 -0.002 0.000 0.300 109 R C -0.930 175.153 176.300 -0.362 0.000 1.069 109 R CA -0.005 55.976 56.100 -0.198 0.000 0.984 109 R CB 0.601 30.793 30.300 -0.179 0.000 1.003 109 R HN 0.456 nan 8.270 nan 0.000 0.459 110 Y N -0.162 119.793 120.300 -0.575 0.000 2.562 110 Y HA 0.354 4.903 4.550 -0.002 0.000 0.343 110 Y C 0.323 175.905 175.900 -0.530 0.000 1.025 110 Y CA -0.573 57.135 58.100 -0.654 0.000 1.082 110 Y CB 2.585 40.314 38.460 -1.218 0.000 1.264 110 Y HN 0.433 nan 8.280 nan 0.000 0.478 111 T N 3.492 117.979 114.554 -0.112 0.000 2.841 111 T HA 0.530 4.879 4.350 -0.002 0.000 0.283 111 T C -1.050 173.743 174.700 0.155 0.000 1.000 111 T CA -0.715 61.382 62.100 -0.005 0.000 0.977 111 T CB 1.021 69.877 68.868 -0.019 0.000 0.979 111 T HN 0.538 nan 8.240 nan 0.000 0.446 112 M N 3.022 122.781 119.600 0.265 0.000 2.253 112 M HA 0.740 5.219 4.480 -0.002 0.000 0.314 112 M C -1.258 175.198 176.300 0.260 0.000 1.019 112 M CA -0.588 54.931 55.300 0.366 0.000 0.932 112 M CB 1.085 34.066 32.600 0.635 0.000 1.606 112 M HN 0.773 nan 8.290 nan 0.000 0.430 113 A N 3.949 126.862 122.820 0.155 0.000 2.387 113 A HA 0.925 5.244 4.320 -0.002 0.000 0.303 113 A C -2.051 175.508 177.584 -0.041 0.000 1.145 113 A CA -0.736 51.337 52.037 0.058 0.000 0.801 113 A CB 1.803 20.814 19.000 0.017 0.000 1.342 113 A HN 0.790 nan 8.150 nan 0.000 0.440 114 L N 0.028 121.179 121.223 -0.120 0.000 2.409 114 L HA 0.510 4.848 4.340 -0.002 0.000 0.272 114 L C -0.462 176.277 176.870 -0.217 0.000 0.980 114 L CA -0.011 54.664 54.840 -0.274 0.000 0.826 114 L CB 1.971 43.820 42.059 -0.350 0.000 1.268 114 L HN 0.802 nan 8.230 nan 0.000 0.407 115 Q N 4.685 124.353 119.800 -0.219 0.000 2.290 115 Q HA 0.597 4.935 4.340 -0.002 0.000 0.259 115 Q C -1.383 174.509 176.000 -0.180 0.000 0.941 115 Q CA -0.469 55.215 55.803 -0.197 0.000 0.912 115 Q CB 1.308 29.964 28.738 -0.137 0.000 1.244 115 Q HN 0.697 nan 8.270 nan 0.000 0.441 116 I N 3.981 124.410 120.570 -0.235 0.000 2.378 116 I HA 0.316 4.484 4.170 -0.002 0.000 0.291 116 I C -0.942 175.048 176.117 -0.211 0.000 0.992 116 I CA -0.694 60.526 61.300 -0.133 0.000 1.154 116 I CB 1.141 39.073 38.000 -0.114 0.000 1.315 116 I HN 0.554 nan 8.210 nan 0.000 0.448 117 F N 4.633 124.546 119.950 -0.062 0.000 2.361 117 F HA 0.462 4.988 4.527 -0.002 0.000 0.364 117 F C 0.487 176.266 175.800 -0.036 0.000 1.117 117 F CA -0.284 57.690 58.000 -0.042 0.000 1.071 117 F CB 1.508 40.487 39.000 -0.034 0.000 1.188 117 F HN 0.329 nan 8.300 nan 0.000 0.464 118 S N 2.827 118.578 115.700 0.085 0.000 2.543 118 S HA 0.314 4.782 4.470 -0.002 0.000 0.271 118 S C -0.840 173.777 174.600 0.028 0.000 1.148 118 S CA -0.587 57.643 58.200 0.050 0.000 0.914 118 S CB 1.005 64.215 63.200 0.016 0.000 1.096 118 S HN 0.706 nan 8.310 nan 0.000 0.471 119 Q N 2.410 122.228 119.800 0.029 0.000 2.452 119 Q HA -0.202 4.137 4.340 -0.002 0.000 0.318 119 Q C 0.916 176.928 176.000 0.019 0.000 1.386 119 Q CA 0.935 56.749 55.803 0.018 0.000 0.872 119 Q CB -1.989 26.752 28.738 0.005 0.000 1.151 119 Q HN 1.774 nan 8.270 nan 0.000 0.417 120 G N -2.109 106.713 108.800 0.036 0.000 2.175 120 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.265 120 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.265 120 G C 0.356 175.272 174.900 0.027 0.000 0.979 120 G CA 0.384 45.507 45.100 0.037 0.000 0.663 120 G HN 0.983 nan 8.290 nan 0.000 0.533 121 G N -1.228 107.579 108.800 0.012 0.000 2.816 121 G HA2 0.768 4.727 3.960 -0.002 0.000 0.288 121 G HA3 0.768 4.727 3.960 -0.002 0.000 0.288 121 G C -0.917 173.925 174.900 -0.097 0.000 1.334 121 G CA -1.020 44.061 45.100 -0.032 0.000 0.978 121 G HN 0.663 nan 8.290 nan 0.000 0.493 122 I N 0.960 121.424 120.570 -0.177 0.000 2.534 122 I HA 0.411 4.580 4.170 -0.002 0.000 0.288 122 I C -0.214 175.746 176.117 -0.261 0.000 1.077 122 I CA -0.723 60.362 61.300 -0.358 0.000 1.051 122 I CB 2.444 40.158 38.000 -0.478 0.000 1.234 122 I HN 0.593 nan 8.210 nan 0.000 0.425 123 S N 3.353 118.893 115.700 -0.266 0.000 2.568 123 S HA 0.769 5.238 4.470 -0.002 0.000 0.293 123 S C -0.766 173.720 174.600 -0.191 0.000 1.089 123 S CA -0.724 57.367 58.200 -0.180 0.000 0.945 123 S CB 2.217 65.340 63.200 -0.129 0.000 1.077 123 S HN 0.521 nan 8.310 nan 0.000 0.485 124 S N 0.489 116.106 115.700 -0.139 0.000 2.547 124 S HA 0.744 5.213 4.470 -0.002 0.000 0.281 124 S C -1.480 173.069 174.600 -0.085 0.000 1.118 124 S CA -0.560 57.566 58.200 -0.124 0.000 0.947 124 S CB 1.350 64.483 63.200 -0.113 0.000 1.053 124 S HN 1.403 nan 8.310 nan 0.000 0.482 125 V N 5.191 125.059 119.914 -0.077 0.000 2.808 125 V HA 0.613 4.732 4.120 -0.002 0.000 0.308 125 V C -0.792 175.294 176.094 -0.015 0.000 1.099 125 V CA -0.860 61.414 62.300 -0.043 0.000 0.920 125 V CB 1.898 33.694 31.823 -0.045 0.000 1.014 125 V HN 0.948 nan 8.190 nan 0.000 0.425 126 K N 4.916 125.326 120.400 0.016 0.000 2.322 126 K HA 0.408 4.727 4.320 -0.002 0.000 0.283 126 K C 0.293 176.959 176.600 0.110 0.000 1.042 126 K CA -0.354 55.969 56.287 0.060 0.000 0.958 126 K CB 1.172 33.705 32.500 0.055 0.000 0.984 126 K HN 0.807 nan 8.250 nan 0.000 0.473 127 L N 2.675 124.013 121.223 0.192 0.000 2.253 127 L HA 0.268 4.607 4.340 -0.002 0.000 0.205 127 L C 1.166 178.345 176.870 0.515 0.000 1.078 127 L CA 0.558 55.586 54.840 0.314 0.000 0.805 127 L CB 0.131 42.411 42.059 0.368 0.000 0.963 127 L HN 0.989 nan 8.230 nan 0.000 0.459 128 G N -0.699 108.358 108.800 0.429 0.000 2.333 128 G HA2 0.294 4.253 3.960 -0.002 0.000 0.288 128 G HA3 0.294 4.253 3.960 -0.002 0.000 0.288 128 G C -1.212 173.743 174.900 0.092 0.000 1.286 128 G CA -0.045 45.213 45.100 0.262 0.000 0.865 128 G HN 0.007 nan 8.290 nan 0.000 0.506 129 T N -1.964 112.532 114.554 -0.095 0.000 2.901 129 T HA 0.917 5.265 4.350 -0.002 0.000 0.293 129 T C -0.660 173.951 174.700 -0.149 0.000 1.084 129 T CA -0.216 61.816 62.100 -0.112 0.000 1.008 129 T CB 2.175 70.968 68.868 -0.126 0.000 1.170 129 T HN 2.008 nan 8.240 nan 0.000 0.509 130 F N -1.151 118.682 119.950 -0.195 0.000 2.741 130 F HA 0.820 5.345 4.527 -0.002 0.000 0.313 130 F C -2.064 173.683 175.800 -0.089 0.000 1.153 130 F CA -1.778 56.080 58.000 -0.238 0.000 0.931 130 F CB 1.016 39.808 39.000 -0.346 0.000 1.335 130 F HN 0.599 nan 8.300 nan 0.000 0.460 131 I N 2.844 123.450 120.570 0.060 0.000 2.404 131 I HA 0.423 4.592 4.170 -0.002 0.000 0.293 131 I C -1.067 175.136 176.117 0.144 0.000 0.992 131 I CA -0.792 60.515 61.300 0.011 0.000 1.149 131 I CB 1.913 39.869 38.000 -0.074 0.000 1.315 131 I HN 0.499 nan 8.210 nan 0.000 0.446 132 L N 7.117 128.440 121.223 0.166 0.000 2.313 132 L HA 0.599 4.938 4.340 -0.002 0.000 0.283 132 L C -0.701 176.198 176.870 0.050 0.000 1.013 132 L CA -0.542 54.390 54.840 0.153 0.000 0.816 132 L CB 1.578 43.749 42.059 0.187 0.000 1.236 132 L HN 0.485 nan 8.230 nan 0.000 0.419 133 L N 2.020 123.265 121.223 0.037 0.000 2.256 133 L HA 0.529 4.868 4.340 -0.002 0.000 0.261 133 L C -0.577 176.302 176.870 0.014 0.000 1.022 133 L CA -0.914 53.932 54.840 0.010 0.000 0.828 133 L CB 1.669 43.813 42.059 0.143 0.000 1.374 133 L HN 0.252 nan 8.230 nan 0.000 0.436 134 F N 0.523 120.586 119.950 0.189 0.000 2.539 134 F HA 0.036 4.562 4.527 -0.002 0.000 0.340 134 F C 0.777 176.732 175.800 0.258 0.000 1.185 134 F CA 0.266 58.382 58.000 0.192 0.000 1.333 134 F CB 0.071 39.178 39.000 0.177 0.000 1.152 134 F HN 0.406 nan 8.300 nan 0.000 0.602 135 N N 2.565 121.544 118.700 0.464 0.000 2.851 135 N HA 0.297 5.036 4.740 -0.002 0.000 0.248 135 N C -2.237 173.567 175.510 0.490 0.000 1.221 135 N CA -1.591 51.736 53.050 0.463 0.000 0.847 135 N CB 0.869 39.543 38.487 0.312 0.000 1.150 135 N HN 0.146 nan 8.380 nan 0.000 0.507 136 P HA -0.090 nan 4.420 nan 0.000 0.228 136 P C 0.444 177.824 177.300 0.132 0.000 1.151 136 P CA 0.729 63.931 63.100 0.170 0.000 0.770 136 P CB 0.120 31.729 31.700 -0.152 0.000 0.786 137 W N -1.476 119.977 121.300 0.256 0.000 2.863 137 W HA 0.191 4.850 4.660 -0.002 0.000 0.258 137 W C 0.576 177.310 176.519 0.358 0.000 1.298 137 W CA -0.051 57.455 57.345 0.267 0.000 1.451 137 W CB 0.108 29.667 29.460 0.164 0.000 1.107 137 W HN -0.073 nan 8.180 nan 0.000 0.641 138 L N 2.940 124.460 121.223 0.495 0.000 2.278 138 L HA 0.049 4.388 4.340 -0.002 0.000 0.287 138 L C 1.522 178.304 176.870 -0.147 0.000 1.072 138 L CA 0.087 55.034 54.840 0.178 0.000 0.819 138 L CB 0.787 42.929 42.059 0.139 0.000 1.176 138 L HN 0.134 nan 8.230 nan 0.000 0.435 139 N N 2.842 121.100 118.700 -0.736 0.000 2.205 139 N HA -0.183 4.555 4.740 -0.002 0.000 0.186 139 N C 1.128 176.280 175.510 -0.596 0.000 1.015 139 N CA 1.330 53.476 53.050 -1.506 0.000 0.862 139 N CB -0.125 37.777 38.487 -0.974 0.000 0.986 139 N HN 0.556 nan 8.380 nan 0.000 0.429 140 V N -2.892 116.866 119.914 -0.260 0.000 3.406 140 V HA 0.040 4.158 4.120 -0.002 0.000 0.263 140 V C 0.633 176.728 176.094 0.002 0.000 1.172 140 V CA 0.296 62.536 62.300 -0.100 0.000 1.140 140 V CB -0.549 31.232 31.823 -0.070 0.000 0.784 140 V HN 0.110 nan 8.190 nan 0.000 0.467 141 D N 1.767 122.202 120.400 0.059 0.000 2.389 141 D HA 0.098 4.736 4.640 -0.002 0.000 0.247 141 D C 1.575 177.995 176.300 0.200 0.000 1.128 141 D CA 0.982 55.078 54.000 0.160 0.000 0.884 141 D CB 2.049 42.992 40.800 0.237 0.000 1.194 141 D HN 0.424 nan 8.370 nan 0.000 0.441 142 S N 1.862 117.663 115.700 0.168 0.000 2.440 142 S HA -0.186 4.283 4.470 -0.002 0.000 0.238 142 S C 1.764 176.460 174.600 0.160 0.000 1.010 142 S CA 1.250 59.532 58.200 0.138 0.000 0.972 142 S CB -0.529 62.728 63.200 0.095 0.000 0.774 142 S HN 0.458 nan 8.310 nan 0.000 0.501 143 V N -2.543 117.490 119.914 0.199 0.000 3.649 143 V HA 0.429 4.548 4.120 -0.002 0.000 0.275 143 V C 0.624 176.920 176.094 0.336 0.000 1.281 143 V CA -0.895 61.542 62.300 0.228 0.000 1.143 143 V CB -1.706 30.198 31.823 0.135 0.000 0.892 143 V HN 0.326 nan 8.190 nan 0.000 0.441 144 F N 2.670 122.729 119.950 0.181 0.000 2.579 144 F HA 0.228 4.754 4.527 -0.002 0.000 0.397 144 F C 0.158 176.096 175.800 0.230 0.000 1.027 144 F CA 0.215 58.309 58.000 0.158 0.000 1.217 144 F CB 0.289 39.363 39.000 0.125 0.000 0.986 144 F HN 0.269 nan 8.300 nan 0.000 0.551 145 M N 7.302 126.471 119.600 -0.719 0.000 2.035 145 M HA 0.324 4.802 4.480 -0.002 0.000 0.286 145 M C 0.768 176.389 176.300 -1.132 0.000 0.907 145 M CA -0.190 54.591 55.300 -0.864 0.000 0.935 145 M CB 1.160 33.292 32.600 -0.780 0.000 1.557 145 M HN 0.759 nan 8.290 nan 0.000 0.426 146 G N 3.440 111.481 108.800 -1.264 0.000 2.422 146 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.218 146 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.218 146 G C 0.650 175.353 174.900 -0.328 0.000 1.146 146 G CA 0.170 44.833 45.100 -0.729 0.000 0.769 146 G HN 0.708 nan 8.290 nan 0.000 0.547 147 N N 0.058 118.562 118.700 -0.327 0.000 2.475 147 N HA -0.003 4.735 4.740 -0.002 0.000 0.267 147 N C 1.109 176.500 175.510 -0.198 0.000 1.169 147 N CA -0.164 52.769 53.050 -0.196 0.000 0.947 147 N CB 0.853 39.228 38.487 -0.187 0.000 1.061 147 N HN 0.287 nan 8.380 nan 0.000 0.466 148 H N 4.512 123.482 119.070 -0.167 0.000 2.290 148 H HA -0.112 4.442 4.556 -0.002 0.000 0.298 148 H C 1.759 176.994 175.328 -0.155 0.000 1.087 148 H CA 2.764 58.726 56.048 -0.144 0.000 1.291 148 H CB -0.009 29.716 29.762 -0.062 0.000 1.369 148 H HN 0.728 nan 8.280 nan 0.000 0.492 149 A N 0.647 123.362 122.820 -0.174 0.000 1.883 149 A HA -0.234 4.085 4.320 -0.002 0.000 0.217 149 A C 2.302 179.688 177.584 -0.330 0.000 1.186 149 A CA 2.010 53.911 52.037 -0.227 0.000 0.624 149 A CB -0.688 18.255 19.000 -0.096 0.000 0.822 149 A HN 0.706 nan 8.150 nan 0.000 0.444 150 E N -0.970 119.042 120.200 -0.315 0.000 2.038 150 E HA -0.221 4.127 4.350 -0.002 0.000 0.195 150 E C 2.363 178.712 176.600 -0.419 0.000 1.000 150 E CA 1.233 57.389 56.400 -0.406 0.000 0.803 150 E CB -0.215 29.364 29.700 -0.203 0.000 0.750 150 E HN 0.561 nan 8.360 nan 0.000 0.448 151 R N 0.865 121.131 120.500 -0.390 0.000 2.083 151 R HA -0.199 4.139 4.340 -0.002 0.000 0.237 151 R C 2.063 178.163 176.300 -0.335 0.000 1.137 151 R CA 1.481 57.328 56.100 -0.421 0.000 0.951 151 R CB -0.009 29.899 30.300 -0.654 0.000 0.851 151 R HN 0.116 nan 8.270 nan 0.000 0.434 152 E N 0.367 120.345 120.200 -0.370 0.000 2.085 152 E HA -0.236 4.113 4.350 -0.002 0.000 0.194 152 E C 1.799 178.307 176.600 -0.152 0.000 0.994 152 E CA 1.447 57.708 56.400 -0.231 0.000 0.801 152 E CB -0.125 29.394 29.700 -0.302 0.000 0.743 152 E HN 0.411 nan 8.360 nan 0.000 0.453 153 E N 0.120 120.155 120.200 -0.275 0.000 2.028 153 E HA -0.147 4.201 4.350 -0.002 0.000 0.190 153 E C 1.675 178.183 176.600 -0.153 0.000 0.984 153 E CA 1.026 57.258 56.400 -0.280 0.000 0.800 153 E CB -0.353 29.007 29.700 -0.566 0.000 0.758 153 E HN 0.232 nan 8.360 nan 0.000 0.448 154 Y N -0.651 119.628 120.300 -0.035 0.000 2.616 154 Y HA 0.090 4.638 4.550 -0.002 0.000 0.296 154 Y C 1.692 177.584 175.900 -0.014 0.000 1.154 154 Y CA 0.357 58.456 58.100 -0.002 0.000 1.325 154 Y CB 0.171 38.663 38.460 0.054 0.000 1.007 154 Y HN -0.002 nan 8.280 nan 0.000 0.542 155 V N -1.930 118.045 119.914 0.101 0.000 3.103 155 V HA -0.012 4.107 4.120 -0.002 0.000 0.229 155 V C 1.631 177.847 176.094 0.204 0.000 1.304 155 V CA 0.374 62.751 62.300 0.128 0.000 1.298 155 V CB 0.145 32.016 31.823 0.079 0.000 1.093 155 V HN 0.022 nan 8.190 nan 0.000 0.489 156 Q N 0.468 120.397 119.800 0.215 0.000 2.398 156 Q HA 0.108 4.447 4.340 -0.002 0.000 0.204 156 Q C 0.765 176.978 176.000 0.356 0.000 0.932 156 Q CA 0.264 56.279 55.803 0.353 0.000 0.916 156 Q CB 0.257 29.137 28.738 0.238 0.000 1.024 156 Q HN 0.596 nan 8.270 nan 0.000 0.504 157 E N 2.659 122.984 120.200 0.208 0.000 2.223 157 E HA 0.001 4.350 4.350 -0.002 0.000 0.282 157 E C -0.192 176.573 176.600 0.275 0.000 1.046 157 E CA -0.065 56.464 56.400 0.215 0.000 0.857 157 E CB 0.630 30.414 29.700 0.141 0.000 1.055 157 E HN 0.063 nan 8.360 nan 0.000 0.409 158 D N 2.880 123.466 120.400 0.309 0.000 2.363 158 D HA 0.177 4.816 4.640 -0.002 0.000 0.214 158 D C -0.304 176.171 176.300 0.293 0.000 1.093 158 D CA -0.302 53.882 54.000 0.307 0.000 0.837 158 D CB 0.245 41.185 40.800 0.234 0.000 0.948 158 D HN 0.262 nan 8.370 nan 0.000 0.507 159 A N 0.046 123.011 122.820 0.240 0.000 2.331 159 A HA 0.755 5.074 4.320 -0.002 0.000 0.320 159 A C 0.213 177.845 177.584 0.080 0.000 1.138 159 A CA -0.266 51.809 52.037 0.064 0.000 0.790 159 A CB 1.657 20.682 19.000 0.041 0.000 1.206 159 A HN 0.218 nan 8.150 nan 0.000 0.470 160 G N 0.497 109.184 108.800 -0.188 0.000 2.730 160 G HA2 0.649 4.608 3.960 -0.002 0.000 0.289 160 G HA3 0.649 4.608 3.960 -0.002 0.000 0.289 160 G C -1.295 173.548 174.900 -0.094 0.000 1.341 160 G CA -0.534 44.532 45.100 -0.056 0.000 0.932 160 G HN 0.515 nan 8.290 nan 0.000 0.481 161 I N 0.623 121.172 120.570 -0.036 0.000 2.499 161 I HA 0.434 4.603 4.170 -0.002 0.000 0.288 161 I C -0.747 175.231 176.117 -0.231 0.000 1.048 161 I CA -0.561 60.623 61.300 -0.193 0.000 1.062 161 I CB 1.666 39.498 38.000 -0.281 0.000 1.238 161 I HN 0.306 nan 8.210 nan 0.000 0.426 162 I N 5.693 126.077 120.570 -0.309 0.000 2.389 162 I HA 0.352 4.521 4.170 -0.002 0.000 0.288 162 I C -0.623 175.221 176.117 -0.455 0.000 0.999 162 I CA -0.611 60.533 61.300 -0.259 0.000 1.129 162 I CB 1.567 39.473 38.000 -0.156 0.000 1.288 162 I HN 0.240 nan 8.210 nan 0.000 0.444 163 F N 6.250 126.090 119.950 -0.183 0.000 2.412 163 F HA 0.467 4.993 4.527 -0.002 0.000 0.348 163 F C 0.622 176.151 175.800 -0.452 0.000 1.102 163 F CA -0.233 57.651 58.000 -0.195 0.000 1.196 163 F CB 1.087 40.069 39.000 -0.030 0.000 1.144 163 F HN 0.198 nan 8.300 nan 0.000 0.541 164 V N -0.425 119.276 119.914 -0.356 0.000 3.076 164 V HA 1.053 5.171 4.120 -0.002 0.000 0.311 164 V C 0.092 176.006 176.094 -0.300 0.000 1.346 164 V CA -0.248 61.485 62.300 -0.944 0.000 1.056 164 V CB 1.104 32.320 31.823 -1.011 0.000 1.093 164 V HN 1.277 nan 8.190 nan 0.000 0.468 165 G N 0.479 109.144 108.800 -0.225 0.000 2.601 165 G HA2 0.341 4.300 3.960 -0.002 0.000 0.224 165 G HA3 0.341 4.300 3.960 -0.002 0.000 0.224 165 G C 0.012 175.208 174.900 0.493 0.000 1.171 165 G CA 0.424 45.634 45.100 0.184 0.000 1.009 165 G HN 2.683 nan 8.290 nan 0.000 0.589 166 S N -2.514 113.406 115.700 0.368 0.000 2.656 166 S HA 0.668 5.137 4.470 -0.002 0.000 0.273 166 S C 1.062 175.691 174.600 0.049 0.000 1.168 166 S CA 0.989 59.422 58.200 0.389 0.000 0.817 166 S CB 1.064 64.433 63.200 0.283 0.000 1.146 166 S HN 2.280 nan 8.310 nan 0.000 0.475 167 T N -0.479 114.143 114.554 0.112 0.000 3.051 167 T HA -0.014 4.335 4.350 -0.002 0.000 0.269 167 T C 0.933 175.616 174.700 -0.027 0.000 1.127 167 T CA 1.151 63.267 62.100 0.028 0.000 1.107 167 T CB -0.762 68.237 68.868 0.218 0.000 0.898 167 T HN 0.564 nan 8.240 nan 0.000 0.517 168 N N 2.074 120.773 118.700 -0.002 0.000 2.405 168 N HA 0.065 4.804 4.740 -0.002 0.000 0.175 168 N C 0.315 175.782 175.510 -0.071 0.000 1.051 168 N CA 0.359 53.399 53.050 -0.016 0.000 0.899 168 N CB 0.278 38.782 38.487 0.029 0.000 1.000 168 N HN 0.711 nan 8.380 nan 0.000 0.451 169 R N 0.072 120.515 120.500 -0.096 0.000 2.879 169 R HA 0.365 4.703 4.340 -0.002 0.000 0.291 169 R C -1.387 174.836 176.300 -0.129 0.000 1.246 169 R CA -0.370 55.662 56.100 -0.113 0.000 1.083 169 R CB -0.229 30.041 30.300 -0.050 0.000 1.274 169 R HN -0.132 nan 8.270 nan 0.000 0.393 170 I N 3.006 123.440 120.570 -0.226 0.000 2.379 170 I HA 0.309 4.478 4.170 -0.002 0.000 0.290 170 I C 0.829 176.928 176.117 -0.030 0.000 1.063 170 I CA 0.039 61.229 61.300 -0.182 0.000 1.351 170 I CB 1.245 39.048 38.000 -0.328 0.000 1.410 170 I HN 0.842 nan 8.210 nan 0.000 0.505 171 G N 7.007 115.810 108.800 0.005 0.000 2.705 171 G HA2 0.855 4.814 3.960 -0.002 0.000 0.299 171 G HA3 0.855 4.814 3.960 -0.002 0.000 0.299 171 G C -0.702 174.153 174.900 -0.075 0.000 1.315 171 G CA -0.752 44.324 45.100 -0.040 0.000 1.045 171 G HN 0.620 nan 8.290 nan 0.000 0.517 172 M N -0.801 118.689 119.600 -0.184 0.000 2.465 172 M HA 0.713 5.192 4.480 -0.002 0.000 0.284 172 M C -1.564 174.553 176.300 -0.306 0.000 1.212 172 M CA -0.968 54.118 55.300 -0.357 0.000 0.910 172 M CB 2.433 34.717 32.600 -0.527 0.000 1.725 172 M HN 0.586 nan 8.290 nan 0.000 0.477 173 I N -0.163 120.206 120.570 -0.334 0.000 2.582 173 I HA 0.881 5.050 4.170 -0.002 0.000 0.292 173 I C -0.073 175.954 176.117 -0.150 0.000 1.066 173 I CA -0.848 60.322 61.300 -0.217 0.000 1.053 173 I CB 2.066 39.932 38.000 -0.222 0.000 1.241 173 I HN 0.863 nan 8.210 nan 0.000 0.421 174 G N 4.944 113.684 108.800 -0.099 0.000 2.467 174 G HA2 0.288 4.247 3.960 -0.002 0.000 0.257 174 G HA3 0.288 4.247 3.960 -0.002 0.000 0.257 174 G C -1.539 173.366 174.900 0.010 0.000 1.227 174 G CA -0.394 44.658 45.100 -0.080 0.000 0.835 174 G HN 0.791 nan 8.290 nan 0.000 0.556 175 W N 2.576 123.698 121.300 -0.296 0.000 2.998 175 W HA 0.354 5.013 4.660 -0.002 0.000 0.335 175 W C -1.233 174.984 176.519 -0.504 0.000 1.110 175 W CA -0.996 56.139 57.345 -0.351 0.000 1.230 175 W CB 2.152 31.372 29.460 -0.400 0.000 1.405 175 W HN 0.502 nan 8.180 nan 0.000 0.493 176 N N 4.318 122.574 118.700 -0.739 0.000 2.500 176 N HA 0.185 4.923 4.740 -0.002 0.000 0.236 176 N C 0.340 175.673 175.510 -0.296 0.000 1.022 176 N CA -0.126 52.655 53.050 -0.447 0.000 0.935 176 N CB 0.014 38.300 38.487 -0.335 0.000 1.147 176 N HN 0.313 nan 8.380 nan 0.000 0.512 177 F N 2.284 122.297 119.950 0.106 0.000 2.146 177 F HA 0.093 4.619 4.527 -0.002 0.000 0.298 177 F C 2.046 177.864 175.800 0.029 0.000 1.096 177 F CA 0.403 58.494 58.000 0.152 0.000 1.275 177 F CB -0.206 38.868 39.000 0.123 0.000 1.008 177 F HN 0.648 nan 8.300 nan 0.000 0.480 178 G N 1.514 110.409 108.800 0.158 0.000 2.422 178 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.301 178 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.301 178 G C 1.096 176.002 174.900 0.011 0.000 0.981 178 G CA 0.686 45.829 45.100 0.072 0.000 0.994 178 G HN 0.544 nan 8.290 nan 0.000 0.514 179 Q N -1.086 118.617 119.800 -0.161 0.000 2.364 179 Q HA -0.046 4.292 4.340 -0.002 0.000 0.207 179 Q C 1.649 177.496 176.000 -0.256 0.000 0.970 179 Q CA 1.403 57.052 55.803 -0.257 0.000 0.888 179 Q CB -0.241 28.221 28.738 -0.460 0.000 0.951 179 Q HN 0.610 nan 8.270 nan 0.000 0.469 180 F N 1.524 121.502 119.950 0.047 0.000 2.776 180 F HA 0.257 4.782 4.527 -0.002 0.000 0.300 180 F C 0.781 176.646 175.800 0.110 0.000 1.116 180 F CA -0.434 57.563 58.000 -0.005 0.000 1.375 180 F CB 0.046 38.953 39.000 -0.154 0.000 1.109 180 F HN -0.118 nan 8.300 nan 0.000 0.585 181 E N 1.564 121.896 120.200 0.220 0.000 2.404 181 E HA -0.072 4.277 4.350 -0.002 0.000 0.261 181 E C 0.254 176.956 176.600 0.169 0.000 1.074 181 E CA -0.174 56.327 56.400 0.168 0.000 0.917 181 E CB 0.267 30.033 29.700 0.110 0.000 0.965 181 E HN 0.343 nan 8.360 nan 0.000 0.433 182 E N 1.233 121.514 120.200 0.134 0.000 2.568 182 E HA -0.222 4.127 4.350 -0.002 0.000 0.262 182 E C -0.100 176.563 176.600 0.104 0.000 0.961 182 E CA 0.505 56.974 56.400 0.116 0.000 0.945 182 E CB 0.183 29.933 29.700 0.084 0.000 0.924 182 E HN 0.451 nan 8.360 nan 0.000 0.467 183 D N 2.335 122.795 120.400 0.099 0.000 2.758 183 D HA -0.247 4.392 4.640 -0.002 0.000 0.191 183 D C 0.854 177.210 176.300 0.093 0.000 1.036 183 D CA 1.431 55.478 54.000 0.079 0.000 1.030 183 D CB -0.721 40.115 40.800 0.060 0.000 1.109 183 D HN 0.514 nan 8.370 nan 0.000 0.430 184 I N 0.698 121.341 120.570 0.121 0.000 2.226 184 I HA -0.198 3.970 4.170 -0.002 0.000 0.245 184 I C 2.713 178.905 176.117 0.126 0.000 1.100 184 I CA 0.955 62.331 61.300 0.125 0.000 1.374 184 I CB -1.068 37.011 38.000 0.132 0.000 1.057 184 I HN 0.319 nan 8.210 nan 0.000 0.413 185 L N -0.084 121.226 121.223 0.146 0.000 2.017 185 L HA -0.246 4.093 4.340 -0.002 0.000 0.208 185 L C 2.775 179.657 176.870 0.020 0.000 1.073 185 L CA 1.702 56.585 54.840 0.070 0.000 0.745 185 L CB -0.183 41.820 42.059 -0.094 0.000 0.894 185 L HN 0.243 nan 8.230 nan 0.000 0.432 186 S N 0.048 115.759 115.700 0.019 0.000 2.359 186 S HA -0.206 4.263 4.470 -0.002 0.000 0.224 186 S C 1.901 176.519 174.600 0.031 0.000 1.035 186 S CA 1.521 59.723 58.200 0.004 0.000 1.018 186 S CB -0.316 62.886 63.200 0.004 0.000 0.876 186 S HN 0.434 nan 8.310 nan 0.000 0.448 187 I N 0.779 121.392 120.570 0.070 0.000 2.252 187 I HA -0.194 3.974 4.170 -0.002 0.000 0.245 187 I C 2.497 178.700 176.117 0.143 0.000 1.102 187 I CA 0.875 62.250 61.300 0.125 0.000 1.385 187 I CB -0.531 37.570 38.000 0.167 0.000 1.064 187 I HN 0.423 nan 8.210 nan 0.000 0.414 188 C N 0.618 119.979 119.300 0.101 0.000 2.440 188 C HA -0.106 4.353 4.460 -0.002 0.000 0.278 188 C C 2.735 177.763 174.990 0.064 0.000 1.295 188 C CA 0.520 59.587 59.018 0.082 0.000 1.738 188 C CB -0.937 26.851 27.740 0.080 0.000 1.987 188 C HN 0.453 nan 8.230 nan 0.000 0.492 189 L N 1.547 122.793 121.223 0.039 0.000 2.093 189 L HA -0.127 4.211 4.340 -0.002 0.000 0.208 189 L C 2.759 179.623 176.870 -0.010 0.000 1.085 189 L CA 1.901 56.745 54.840 0.006 0.000 0.755 189 L CB -0.597 41.445 42.059 -0.028 0.000 0.904 189 L HN 0.484 nan 8.230 nan 0.000 0.435 190 S N -0.150 115.556 115.700 0.010 0.000 2.423 190 S HA -0.136 4.333 4.470 -0.002 0.000 0.231 190 S C 1.899 176.518 174.600 0.032 0.000 1.014 190 S CA 0.720 58.913 58.200 -0.012 0.000 0.965 190 S CB -0.620 62.585 63.200 0.007 0.000 0.785 190 S HN 0.373 nan 8.310 nan 0.000 0.495 191 I N 1.514 122.156 120.570 0.120 0.000 2.208 191 I HA -0.176 3.992 4.170 -0.002 0.000 0.245 191 I C 2.318 178.463 176.117 0.047 0.000 1.097 191 I CA 1.281 62.671 61.300 0.150 0.000 1.363 191 I CB -0.461 37.582 38.000 0.071 0.000 1.051 191 I HN 0.318 nan 8.210 nan 0.000 0.413 192 L N 0.134 121.358 121.223 0.002 0.000 2.131 192 L HA -0.210 4.128 4.340 -0.002 0.000 0.210 192 L C 1.355 178.126 176.870 -0.167 0.000 1.092 192 L CA 1.088 55.924 54.840 -0.007 0.000 0.759 192 L CB -0.614 41.462 42.059 0.029 0.000 0.903 192 L HN 0.281 nan 8.230 nan 0.000 0.435 193 D N -0.266 119.904 120.400 -0.383 0.000 2.328 193 D HA 0.004 4.642 4.640 -0.002 0.000 0.226 193 D C 1.605 177.495 176.300 -0.683 0.000 1.066 193 D CA 0.359 53.733 54.000 -1.043 0.000 0.861 193 D CB 0.306 40.625 40.800 -0.802 0.000 0.912 193 D HN 0.219 nan 8.370 nan 0.000 0.521 194 R N -0.012 120.376 120.500 -0.187 0.000 2.531 194 R HA 0.098 4.436 4.340 -0.002 0.000 0.316 194 R C 0.760 177.146 176.300 0.143 0.000 0.955 194 R CA -0.024 56.097 56.100 0.035 0.000 1.120 194 R CB 0.399 30.777 30.300 0.130 0.000 1.361 194 R HN 0.082 nan 8.270 nan 0.000 0.534 195 S N 0.117 115.904 115.700 0.146 0.000 2.589 195 S HA 0.147 4.616 4.470 -0.002 0.000 0.265 195 S C 1.632 176.345 174.600 0.187 0.000 1.342 195 S CA -0.437 57.855 58.200 0.154 0.000 1.005 195 S CB 0.914 64.189 63.200 0.126 0.000 0.909 195 S HN 0.119 nan 8.310 nan 0.000 0.555 196 L N 1.313 122.615 121.223 0.132 0.000 2.131 196 L HA -0.153 4.186 4.340 -0.002 0.000 0.210 196 L C 2.604 179.550 176.870 0.128 0.000 1.092 196 L CA 1.352 56.263 54.840 0.118 0.000 0.759 196 L CB -0.856 41.250 42.059 0.080 0.000 0.903 196 L HN 0.738 nan 8.230 nan 0.000 0.435 197 N N -0.063 118.720 118.700 0.139 0.000 2.084 197 N HA -0.234 4.505 4.740 -0.002 0.000 0.190 197 N C 1.950 177.580 175.510 0.200 0.000 1.030 197 N CA 1.532 54.682 53.050 0.168 0.000 0.849 197 N CB -0.305 38.309 38.487 0.213 0.000 1.012 197 N HN 0.232 nan 8.380 nan 0.000 0.423 198 F N 2.707 122.724 119.950 0.111 0.000 2.134 198 F HA -0.053 4.472 4.527 -0.002 0.000 0.299 198 F C 2.478 178.330 175.800 0.086 0.000 1.097 198 F CA 1.228 59.290 58.000 0.104 0.000 1.264 198 F CB -0.001 39.056 39.000 0.095 0.000 1.001 198 F HN -0.138 nan 8.300 nan 0.000 0.479 199 R N -0.264 120.366 120.500 0.217 0.000 2.120 199 R HA -0.133 4.205 4.340 -0.002 0.000 0.234 199 R C 2.340 178.642 176.300 0.004 0.000 1.123 199 R CA 1.352 57.518 56.100 0.110 0.000 0.975 199 R CB -0.396 29.996 30.300 0.154 0.000 0.866 199 R HN 0.282 nan 8.270 nan 0.000 0.446 200 R N 0.219 120.728 120.500 0.015 0.000 2.057 200 R HA -0.056 4.283 4.340 -0.002 0.000 0.229 200 R C 0.106 176.375 176.300 -0.051 0.000 1.136 200 R CA 1.275 57.373 56.100 -0.003 0.000 0.952 200 R CB 0.290 30.605 30.300 0.025 0.000 0.848 200 R HN -0.017 nan 8.270 nan 0.000 0.430 201 D N -1.624 118.730 120.400 -0.078 0.000 2.337 201 D HA 0.171 4.810 4.640 -0.002 0.000 0.238 201 D C -0.145 176.050 176.300 -0.176 0.000 1.331 201 D CA -0.013 53.917 54.000 -0.116 0.000 0.967 201 D CB 1.360 42.121 40.800 -0.065 0.000 1.382 201 D HN 0.161 nan 8.370 nan 0.000 0.549 202 A N 2.794 125.417 122.820 -0.327 0.000 1.933 202 A HA 0.051 4.369 4.320 -0.002 0.000 0.218 202 A C 2.155 179.669 177.584 -0.116 0.000 1.175 202 A CA 1.895 53.617 52.037 -0.526 0.000 0.628 202 A CB -0.335 18.197 19.000 -0.779 0.000 0.814 202 A HN 0.582 nan 8.150 nan 0.000 0.444 203 A N -0.836 121.969 122.820 -0.025 0.000 1.865 203 A HA -0.142 4.176 4.320 -0.002 0.000 0.217 203 A C 2.333 179.909 177.584 -0.014 0.000 1.191 203 A CA 2.484 54.534 52.037 0.022 0.000 0.623 203 A CB -1.336 17.607 19.000 -0.096 0.000 0.826 203 A HN 0.432 nan 8.150 nan 0.000 0.444 204 T N -0.667 113.857 114.554 -0.049 0.000 2.857 204 T HA -0.092 4.257 4.350 -0.002 0.000 0.266 204 T C 1.655 176.308 174.700 -0.080 0.000 1.048 204 T CA 1.510 63.575 62.100 -0.058 0.000 1.139 204 T CB -0.396 68.441 68.868 -0.052 0.000 0.874 204 T HN 0.713 nan 8.240 nan 0.000 0.455 205 D N 1.020 121.414 120.400 -0.011 0.000 2.092 205 D HA -0.116 4.523 4.640 -0.002 0.000 0.193 205 D C 2.053 178.381 176.300 0.047 0.000 0.994 205 D CA 1.066 55.111 54.000 0.074 0.000 0.828 205 D CB -0.290 40.675 40.800 0.275 0.000 0.963 205 D HN 0.141 nan 8.370 nan 0.000 0.450 206 V N 0.742 120.719 119.914 0.105 0.000 2.332 206 V HA -0.230 3.889 4.120 -0.002 0.000 0.248 206 V C 2.553 178.654 176.094 0.013 0.000 1.055 206 V CA 1.849 64.205 62.300 0.093 0.000 1.038 206 V CB -0.988 30.895 31.823 0.101 0.000 0.651 206 V HN 0.404 nan 8.190 nan 0.000 0.450 207 A N -0.563 122.246 122.820 -0.019 0.000 2.067 207 A HA -0.141 4.178 4.320 -0.002 0.000 0.219 207 A C 2.281 179.816 177.584 -0.082 0.000 1.158 207 A CA 1.819 53.841 52.037 -0.024 0.000 0.661 207 A CB -0.424 18.564 19.000 -0.020 0.000 0.801 207 A HN 0.527 nan 8.150 nan 0.000 0.452 208 S N -0.597 114.966 115.700 -0.227 0.000 2.593 208 S HA 0.047 4.516 4.470 -0.002 0.000 0.217 208 S C 1.383 175.854 174.600 -0.216 0.000 0.966 208 S CA -0.022 57.918 58.200 -0.434 0.000 0.914 208 S CB -0.092 62.358 63.200 -1.249 0.000 0.776 208 S HN 0.604 nan 8.310 nan 0.000 0.523 209 R N 2.101 122.587 120.500 -0.024 0.000 2.328 209 R HA 0.069 4.408 4.340 -0.002 0.000 0.200 209 R C 1.247 177.615 176.300 0.115 0.000 0.983 209 R CA 0.598 56.773 56.100 0.126 0.000 1.062 209 R CB -0.484 29.874 30.300 0.096 0.000 0.956 209 R HN 0.667 nan 8.270 nan 0.000 0.479 210 N N -0.570 118.195 118.700 0.108 0.000 2.280 210 N HA -0.059 4.680 4.740 -0.002 0.000 0.192 210 N C -0.325 175.345 175.510 0.267 0.000 1.109 210 N CA -0.194 52.941 53.050 0.142 0.000 0.855 210 N CB 0.395 38.948 38.487 0.109 0.000 0.974 210 N HN -0.084 nan 8.380 nan 0.000 0.482 211 D N 1.088 121.642 120.400 0.258 0.000 2.481 211 D HA 0.218 4.857 4.640 -0.002 0.000 0.246 211 D C -1.690 174.669 176.300 0.098 0.000 1.109 211 D CA -2.682 51.423 54.000 0.175 0.000 0.845 211 D CB 1.945 42.811 40.800 0.110 0.000 1.160 211 D HN -0.099 nan 8.370 nan 0.000 0.534 212 P HA -0.152 nan 4.420 nan 0.000 0.222 212 P C 0.835 177.625 177.300 -0.851 0.000 1.147 212 P CA 0.859 63.460 63.100 -0.831 0.000 0.790 212 P CB 0.554 31.392 31.700 -1.437 0.000 0.780 213 K N -0.903 119.150 120.400 -0.577 0.000 2.026 213 K HA -0.177 4.142 4.320 -0.002 0.000 0.208 213 K C 2.410 178.942 176.600 -0.114 0.000 1.048 213 K CA 1.364 57.520 56.287 -0.219 0.000 0.929 213 K CB -0.747 31.795 32.500 0.070 0.000 0.713 213 K HN 0.113 nan 8.250 nan 0.000 0.439 214 Y N 1.800 122.022 120.300 -0.130 0.000 2.114 214 Y HA -0.263 4.286 4.550 -0.002 0.000 0.284 214 Y C 2.137 178.003 175.900 -0.057 0.000 1.143 214 Y CA 1.254 59.307 58.100 -0.077 0.000 1.135 214 Y CB -0.356 38.101 38.460 -0.004 0.000 0.980 214 Y HN -0.252 nan 8.280 nan 0.000 0.499 215 V N 0.124 120.097 119.914 0.098 0.000 2.287 215 V HA -0.308 3.811 4.120 -0.002 0.000 0.248 215 V C 2.596 178.657 176.094 -0.054 0.000 1.053 215 V CA 1.993 64.335 62.300 0.071 0.000 1.027 215 V CB -1.655 30.319 31.823 0.251 0.000 0.646 215 V HN 0.648 nan 8.190 nan 0.000 0.447 216 G N -0.446 108.296 108.800 -0.097 0.000 2.446 216 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.217 216 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.217 216 G C 1.714 176.570 174.900 -0.074 0.000 1.168 216 G CA 1.064 46.140 45.100 -0.040 0.000 0.771 216 G HN 0.445 nan 8.290 nan 0.000 0.551 217 R N -0.214 120.184 120.500 -0.171 0.000 2.073 217 R HA -0.041 4.298 4.340 -0.002 0.000 0.234 217 R C 2.650 178.811 176.300 -0.232 0.000 1.134 217 R CA 1.495 57.449 56.100 -0.243 0.000 0.952 217 R CB -0.462 29.576 30.300 -0.436 0.000 0.850 217 R HN 0.236 nan 8.270 nan 0.000 0.433 218 V N 1.341 121.071 119.914 -0.307 0.000 2.392 218 V HA -0.255 3.864 4.120 -0.002 0.000 0.249 218 V C 2.304 178.331 176.094 -0.112 0.000 1.059 218 V CA 1.712 63.866 62.300 -0.243 0.000 1.051 218 V CB -0.348 31.299 31.823 -0.294 0.000 0.658 218 V HN 0.364 nan 8.190 nan 0.000 0.455 219 L N 0.643 121.819 121.223 -0.079 0.000 2.141 219 L HA -0.138 4.201 4.340 -0.002 0.000 0.209 219 L C 2.664 179.520 176.870 -0.023 0.000 1.094 219 L CA 1.699 56.518 54.840 -0.034 0.000 0.763 219 L CB -0.651 41.407 42.059 -0.001 0.000 0.908 219 L HN 0.563 nan 8.230 nan 0.000 0.437 220 S N -0.241 115.444 115.700 -0.025 0.000 2.447 220 S HA -0.093 4.376 4.470 -0.002 0.000 0.233 220 S C 2.008 176.608 174.600 -0.000 0.000 1.006 220 S CA 0.757 58.957 58.200 0.000 0.000 0.957 220 S CB -0.160 63.036 63.200 -0.006 0.000 0.773 220 S HN 0.350 nan 8.310 nan 0.000 0.507 221 A N 1.631 124.439 122.820 -0.021 0.000 1.903 221 A HA 0.352 4.671 4.320 -0.002 0.000 0.213 221 A C 2.223 179.816 177.584 0.016 0.000 1.185 221 A CA 0.940 52.980 52.037 0.006 0.000 0.628 221 A CB -0.403 18.587 19.000 -0.016 0.000 0.830 221 A HN 0.487 nan 8.150 nan 0.000 0.446 222 M N -0.089 119.501 119.600 -0.015 0.000 2.558 222 M HA 0.123 4.602 4.480 -0.002 0.000 0.255 222 M C 1.415 177.640 176.300 -0.125 0.000 1.113 222 M CA 0.651 55.923 55.300 -0.047 0.000 1.097 222 M CB -0.616 31.952 32.600 -0.052 0.000 1.426 222 M HN 0.264 nan 8.290 nan 0.000 0.488 223 I N 0.938 121.470 120.570 -0.064 0.000 2.676 223 I HA -0.145 4.024 4.170 -0.002 0.000 0.259 223 I C 0.651 176.809 176.117 0.068 0.000 1.194 223 I CA 0.541 61.806 61.300 -0.058 0.000 1.473 223 I CB -1.418 36.606 38.000 0.040 0.000 1.096 223 I HN 0.347 nan 8.210 nan 0.000 0.443 224 N N -0.414 118.367 118.700 0.135 0.000 2.472 224 N HA 0.098 4.837 4.740 -0.002 0.000 0.289 224 N C 0.682 176.256 175.510 0.107 0.000 1.156 224 N CA -0.165 53.043 53.050 0.264 0.000 0.940 224 N CB 0.861 39.402 38.487 0.091 0.000 1.200 224 N HN -0.057 nan 8.380 nan 0.000 0.511 225 S N -0.432 115.342 115.700 0.123 0.000 2.593 225 S HA 0.069 4.538 4.470 -0.002 0.000 0.217 225 S C 0.225 174.883 174.600 0.097 0.000 0.966 225 S CA -0.662 57.597 58.200 0.099 0.000 0.914 225 S CB -0.857 62.407 63.200 0.106 0.000 0.776 225 S HN 0.565 nan 8.310 nan 0.000 0.523 226 N N 2.449 121.184 118.700 0.059 0.000 2.340 226 N HA 0.007 4.745 4.740 -0.002 0.000 0.236 226 N C -0.468 175.139 175.510 0.162 0.000 1.296 226 N CA 0.796 53.876 53.050 0.051 0.000 0.896 226 N CB 0.081 38.465 38.487 -0.170 0.000 1.127 226 N HN 0.241 nan 8.380 nan 0.000 0.442 227 D N 0.334 120.863 120.400 0.215 0.000 3.012 227 D HA -0.163 4.476 4.640 -0.002 0.000 0.222 227 D C -0.669 175.711 176.300 0.134 0.000 1.167 227 D CA 0.721 54.833 54.000 0.186 0.000 0.854 227 D CB -0.996 39.914 40.800 0.183 0.000 1.107 227 D HN 0.642 nan 8.370 nan 0.000 0.421 228 D N -0.775 119.701 120.400 0.126 0.000 2.911 228 D HA -0.224 4.415 4.640 -0.002 0.000 0.227 228 D C -0.130 176.246 176.300 0.127 0.000 1.164 228 D CA 1.441 55.509 54.000 0.114 0.000 0.782 228 D CB -1.243 39.615 40.800 0.097 0.000 1.094 228 D HN 0.500 nan 8.370 nan 0.000 0.425 229 N N -0.391 118.393 118.700 0.140 0.000 2.599 229 N HA 0.543 5.282 4.740 -0.002 0.000 0.283 229 N C -0.281 175.323 175.510 0.156 0.000 1.160 229 N CA 0.587 53.735 53.050 0.163 0.000 0.869 229 N CB 1.261 39.834 38.487 0.143 0.000 1.448 229 N HN 0.250 nan 8.380 nan 0.000 0.535 230 G N -0.014 108.907 108.800 0.202 0.000 2.359 230 G HA2 0.120 4.078 3.960 -0.002 0.000 0.293 230 G HA3 0.120 4.078 3.960 -0.002 0.000 0.293 230 G C -0.284 174.557 174.900 -0.098 0.000 1.300 230 G CA -0.114 45.012 45.100 0.043 0.000 0.888 230 G HN 0.234 nan 8.290 nan 0.000 0.541 231 V N -0.069 119.558 119.914 -0.479 0.000 2.339 231 V HA 0.303 4.422 4.120 -0.002 0.000 0.234 231 V C 1.384 177.297 176.094 -0.302 0.000 1.053 231 V CA 0.985 62.830 62.300 -0.759 0.000 1.042 231 V CB -0.758 30.512 31.823 -0.921 0.000 0.678 231 V HN 0.486 nan 8.190 nan 0.000 0.475 232 L N 1.041 122.121 121.223 -0.239 0.000 2.305 232 L HA 0.597 4.936 4.340 -0.002 0.000 0.281 232 L C 0.087 176.963 176.870 0.010 0.000 1.085 232 L CA -0.210 54.476 54.840 -0.256 0.000 0.813 232 L CB 1.059 42.673 42.059 -0.742 0.000 1.157 232 L HN 0.284 nan 8.230 nan 0.000 0.436 233 A N 2.842 125.662 122.820 0.000 0.000 2.276 233 A HA 0.626 4.945 4.320 -0.002 0.000 0.300 233 A C 0.430 178.160 177.584 0.243 0.000 1.235 233 A CA -0.289 51.848 52.037 0.167 0.000 0.867 233 A CB 0.500 19.593 19.000 0.155 0.000 1.137 233 A HN 0.766 nan 8.150 nan 0.000 0.527 234 G N 0.938 109.951 108.800 0.355 0.000 2.503 234 G HA2 0.437 4.396 3.960 -0.002 0.000 0.257 234 G HA3 0.437 4.396 3.960 -0.002 0.000 0.257 234 G C -0.197 174.734 174.900 0.051 0.000 1.214 234 G CA -0.421 44.792 45.100 0.189 0.000 0.839 234 G HN 0.932 nan 8.290 nan 0.000 0.559 235 N N 0.174 118.661 118.700 -0.355 0.000 2.905 235 N HA 0.089 4.828 4.740 -0.002 0.000 0.255 235 N C -0.671 174.730 175.510 -0.182 0.000 1.199 235 N CA -0.708 52.257 53.050 -0.141 0.000 0.911 235 N CB 0.894 39.194 38.487 -0.313 0.000 1.550 235 N HN 0.610 nan 8.380 nan 0.000 0.599 236 W N 2.805 124.129 121.300 0.040 0.000 2.693 236 W HA 0.149 4.808 4.660 -0.002 0.000 0.415 236 W C 1.329 177.825 176.519 -0.039 0.000 0.932 236 W CA -0.285 57.052 57.345 -0.013 0.000 2.200 236 W CB 0.657 29.968 29.460 -0.248 0.000 1.188 236 W HN 0.580 nan 8.180 nan 0.000 0.665 237 S N -0.974 114.781 115.700 0.092 0.000 2.501 237 S HA 0.213 4.682 4.470 -0.002 0.000 0.220 237 S C 1.790 176.308 174.600 -0.137 0.000 0.997 237 S CA 0.927 59.100 58.200 -0.046 0.000 0.919 237 S CB 0.282 63.406 63.200 -0.126 0.000 0.778 237 S HN 0.364 nan 8.310 nan 0.000 0.523 238 G N 0.154 108.812 108.800 -0.236 0.000 2.199 238 G HA2 -0.204 3.754 3.960 -0.002 0.000 0.254 238 G HA3 -0.204 3.754 3.960 -0.002 0.000 0.254 238 G C 0.162 174.647 174.900 -0.692 0.000 0.982 238 G CA 0.295 45.247 45.100 -0.247 0.000 0.632 238 G HN 0.689 nan 8.290 nan 0.000 0.529 239 T N 0.425 114.397 114.554 -0.970 0.000 2.815 239 T HA 0.567 4.916 4.350 -0.002 0.000 0.289 239 T C -0.412 173.690 174.700 -0.997 0.000 1.000 239 T CA -0.308 61.336 62.100 -0.761 0.000 0.958 239 T CB 0.935 69.599 68.868 -0.340 0.000 0.944 239 T HN 0.254 nan 8.240 nan 0.000 0.442 240 Y N 1.021 121.284 120.300 -0.062 0.000 2.736 240 Y HA 0.246 4.795 4.550 -0.002 0.000 0.293 240 Y C 1.308 177.294 175.900 0.144 0.000 1.062 240 Y CA -0.997 57.085 58.100 -0.030 0.000 1.247 240 Y CB -0.084 38.414 38.460 0.064 0.000 1.200 240 Y HN 0.454 nan 8.280 nan 0.000 0.552 241 T N 0.762 115.385 114.554 0.115 0.000 2.934 241 T HA 0.248 4.596 4.350 -0.002 0.000 0.306 241 T C 1.352 176.186 174.700 0.223 0.000 1.042 241 T CA 1.515 63.691 62.100 0.126 0.000 1.145 241 T CB 0.535 69.434 68.868 0.052 0.000 0.982 241 T HN 0.860 nan 8.240 nan 0.000 0.544 242 G N 1.393 110.286 108.800 0.155 0.000 2.179 242 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.260 242 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.260 242 G C 0.367 175.317 174.900 0.083 0.000 0.977 242 G CA 0.168 45.343 45.100 0.125 0.000 0.641 242 G HN 1.227 nan 8.290 nan 0.000 0.533 243 G N -1.277 107.618 108.800 0.158 0.000 2.947 243 G HA2 0.698 4.657 3.960 -0.002 0.000 0.293 243 G HA3 0.698 4.657 3.960 -0.002 0.000 0.293 243 G C -0.892 174.050 174.900 0.071 0.000 1.243 243 G CA -0.768 44.324 45.100 -0.014 0.000 0.802 243 G HN 0.423 nan 8.290 nan 0.000 0.560 244 R N 0.361 120.864 120.500 0.004 0.000 2.637 244 R HA 0.317 4.655 4.340 -0.002 0.000 0.291 244 R C -1.152 175.066 176.300 -0.137 0.000 0.963 244 R CA -0.799 55.202 56.100 -0.165 0.000 0.901 244 R CB 2.029 31.969 30.300 -0.599 0.000 1.160 244 R HN 0.539 nan 8.270 nan 0.000 0.457 245 D N 3.410 123.699 120.400 -0.185 0.000 2.472 245 D HA -0.017 4.622 4.640 -0.002 0.000 0.248 245 D C -1.562 174.521 176.300 -0.361 0.000 1.174 245 D CA -1.363 52.430 54.000 -0.345 0.000 0.883 245 D CB 1.291 42.028 40.800 -0.106 0.000 1.149 245 D HN 0.178 nan 8.370 nan 0.000 0.488 246 P HA -0.156 nan 4.420 nan 0.000 0.217 246 P C 0.925 178.402 177.300 0.296 0.000 1.148 246 P CA 1.339 64.400 63.100 -0.064 0.000 0.834 246 P CB 0.166 31.655 31.700 -0.352 0.000 0.783 247 R N -0.694 119.979 120.500 0.287 0.000 2.307 247 R HA 0.036 4.375 4.340 -0.002 0.000 0.199 247 R C 2.091 178.516 176.300 0.208 0.000 1.000 247 R CA 1.268 57.623 56.100 0.425 0.000 1.023 247 R CB -0.651 29.803 30.300 0.256 0.000 0.908 247 R HN 0.346 nan 8.270 nan 0.000 0.473 248 S N -0.248 115.458 115.700 0.010 0.000 2.470 248 S HA -0.059 4.409 4.470 -0.002 0.000 0.225 248 S C 0.476 175.013 174.600 -0.106 0.000 1.006 248 S CA -0.364 57.762 58.200 -0.124 0.000 0.934 248 S CB -0.257 62.766 63.200 -0.295 0.000 0.778 248 S HN 0.256 nan 8.310 nan 0.000 0.517 249 W N 2.273 123.604 121.300 0.052 0.000 2.170 249 W HA 0.311 4.970 4.660 -0.002 0.000 0.342 249 W C 0.610 177.028 176.519 -0.168 0.000 1.294 249 W CA -0.468 56.854 57.345 -0.038 0.000 1.246 249 W CB 0.367 29.875 29.460 0.080 0.000 1.156 249 W HN 0.148 nan 8.180 nan 0.000 0.572 250 D N 0.786 121.068 120.400 -0.197 0.000 2.500 250 D HA 0.245 4.883 4.640 -0.002 0.000 0.217 250 D C 0.606 176.218 176.300 -1.147 0.000 1.159 250 D CA 0.253 53.961 54.000 -0.486 0.000 0.828 250 D CB 0.939 41.578 40.800 -0.268 0.000 1.039 250 D HN 0.464 nan 8.370 nan 0.000 0.512 251 G N -0.708 107.235 108.800 -1.428 0.000 2.495 251 G HA2 0.273 4.232 3.960 -0.002 0.000 0.294 251 G HA3 0.273 4.232 3.960 -0.002 0.000 0.294 251 G C 0.023 174.567 174.900 -0.595 0.000 1.397 251 G CA -0.278 43.912 45.100 -1.517 0.000 0.790 251 G HN -0.136 nan 8.290 nan 0.000 0.486 252 S N -0.757 114.908 115.700 -0.058 0.000 2.503 252 S HA 0.047 4.515 4.470 -0.002 0.000 0.217 252 S C 2.380 176.988 174.600 0.014 0.000 0.999 252 S CA 0.739 59.035 58.200 0.161 0.000 0.914 252 S CB 0.342 63.745 63.200 0.337 0.000 0.782 252 S HN 0.422 nan 8.310 nan 0.000 0.520 253 V N 2.583 122.484 119.914 -0.021 0.000 2.261 253 V HA -0.157 3.962 4.120 -0.002 0.000 0.246 253 V C 2.545 178.644 176.094 0.007 0.000 1.047 253 V CA 1.659 63.961 62.300 0.003 0.000 1.015 253 V CB -0.523 31.297 31.823 -0.005 0.000 0.642 253 V HN 0.371 nan 8.190 nan 0.000 0.446 254 E N -0.119 120.083 120.200 0.004 0.000 2.150 254 E HA -0.127 4.222 4.350 -0.002 0.000 0.193 254 E C 2.129 178.748 176.600 0.030 0.000 0.985 254 E CA 1.153 57.594 56.400 0.068 0.000 0.814 254 E CB -0.319 29.487 29.700 0.176 0.000 0.752 254 E HN 0.598 nan 8.360 nan 0.000 0.466 255 I N 0.712 121.196 120.570 -0.143 0.000 2.142 255 I HA -0.285 3.883 4.170 -0.002 0.000 0.240 255 I C 2.421 178.485 176.117 -0.088 0.000 1.078 255 I CA 1.039 62.151 61.300 -0.314 0.000 1.343 255 I CB -0.303 37.371 38.000 -0.543 0.000 1.046 255 I HN 0.044 nan 8.210 nan 0.000 0.405 256 L N 0.240 121.449 121.223 -0.023 0.000 2.093 256 L HA -0.183 4.156 4.340 -0.002 0.000 0.208 256 L C 2.519 179.498 176.870 0.182 0.000 1.085 256 L CA 1.379 56.278 54.840 0.099 0.000 0.755 256 L CB -0.533 41.574 42.059 0.080 0.000 0.904 256 L HN 0.150 nan 8.230 nan 0.000 0.435 257 K N -0.187 120.278 120.400 0.108 0.000 2.148 257 K HA -0.108 4.210 4.320 -0.002 0.000 0.204 257 K C 1.863 178.519 176.600 0.095 0.000 1.050 257 K CA 1.075 57.419 56.287 0.094 0.000 0.942 257 K CB -0.102 32.438 32.500 0.066 0.000 0.724 257 K HN 0.245 nan 8.250 nan 0.000 0.446 258 N N 0.121 118.885 118.700 0.108 0.000 2.188 258 N HA -0.161 4.578 4.740 -0.002 0.000 0.184 258 N C 1.224 176.816 175.510 0.137 0.000 1.018 258 N CA 0.787 53.902 53.050 0.109 0.000 0.858 258 N CB -0.274 38.292 38.487 0.132 0.000 0.989 258 N HN 0.278 nan 8.380 nan 0.000 0.426 259 W N 2.569 123.848 121.300 -0.036 0.000 2.353 259 W HA -0.111 4.547 4.660 -0.002 0.000 0.319 259 W C 2.368 178.874 176.519 -0.022 0.000 1.207 259 W CA 1.585 58.907 57.345 -0.037 0.000 1.291 259 W CB -0.512 28.919 29.460 -0.049 0.000 1.159 259 W HN -0.037 nan 8.180 nan 0.000 0.478 260 K N 0.682 121.075 120.400 -0.011 0.000 2.009 260 K HA -0.294 4.025 4.320 -0.002 0.000 0.210 260 K C 2.302 178.800 176.600 -0.169 0.000 1.049 260 K CA 2.216 58.379 56.287 -0.207 0.000 0.929 260 K CB -0.598 31.871 32.500 -0.051 0.000 0.714 260 K HN 0.085 nan 8.250 nan 0.000 0.440 261 K N 0.529 120.890 120.400 -0.065 0.000 2.103 261 K HA -0.126 4.193 4.320 -0.002 0.000 0.207 261 K C 1.713 178.274 176.600 -0.066 0.000 1.048 261 K CA 1.874 58.132 56.287 -0.049 0.000 0.930 261 K CB -0.155 32.341 32.500 -0.006 0.000 0.716 261 K HN 0.296 nan 8.250 nan 0.000 0.444 262 S N -0.860 114.798 115.700 -0.069 0.000 2.650 262 S HA 0.120 4.589 4.470 -0.002 0.000 0.219 262 S C 0.967 175.499 174.600 -0.114 0.000 0.960 262 S CA 0.333 58.494 58.200 -0.064 0.000 0.925 262 S CB 0.120 63.308 63.200 -0.020 0.000 0.775 262 S HN 0.516 nan 8.310 nan 0.000 0.525 263 G N 1.522 110.214 108.800 -0.181 0.000 2.182 263 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.248 263 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.248 263 G C 0.387 175.109 174.900 -0.296 0.000 1.042 263 G CA -0.154 44.823 45.100 -0.205 0.000 0.775 263 G HN 1.161 nan 8.290 nan 0.000 0.501 264 L N -2.051 118.854 121.223 -0.530 0.000 4.291 264 L HA -0.233 4.106 4.340 -0.002 0.000 0.413 264 L C 1.363 178.119 176.870 -0.190 0.000 1.162 264 L CA 0.773 55.116 54.840 -0.828 0.000 0.961 264 L CB -2.541 39.084 42.059 -0.724 0.000 2.095 264 L HN 1.249 nan 8.230 nan 0.000 0.838 265 S N -1.294 114.373 115.700 -0.055 0.000 2.632 265 S HA 0.692 5.161 4.470 -0.002 0.000 0.267 265 S C -2.145 172.575 174.600 0.200 0.000 1.276 265 S CA -1.336 56.911 58.200 0.079 0.000 0.998 265 S CB 1.308 64.527 63.200 0.031 0.000 0.953 265 S HN -0.001 nan 8.310 nan 0.000 0.547 266 P HA 0.119 nan 4.420 nan 0.000 0.264 266 P C -1.031 176.308 177.300 0.065 0.000 1.183 266 P CA -0.163 63.013 63.100 0.126 0.000 0.763 266 P CB 0.268 32.016 31.700 0.080 0.000 0.807 267 V N 5.873 125.803 119.914 0.026 0.000 2.364 267 V HA 0.246 4.364 4.120 -0.002 0.000 0.272 267 V C 0.717 176.739 176.094 -0.119 0.000 1.036 267 V CA -0.178 62.106 62.300 -0.026 0.000 0.880 267 V CB 0.399 32.165 31.823 -0.094 0.000 0.991 267 V HN 0.448 nan 8.190 nan 0.000 0.460 268 R N 4.725 125.100 120.500 -0.208 0.000 2.338 268 R HA 0.681 5.019 4.340 -0.002 0.000 0.317 268 R C -1.495 174.683 176.300 -0.203 0.000 0.968 268 R CA -0.468 55.247 56.100 -0.642 0.000 0.849 268 R CB 1.445 30.825 30.300 -1.533 0.000 1.128 268 R HN 0.600 nan 8.270 nan 0.000 0.448 269 Y N -0.305 120.122 120.300 0.211 0.000 2.609 269 Y HA 0.677 5.226 4.550 -0.002 0.000 0.342 269 Y C 0.631 176.495 175.900 -0.059 0.000 1.058 269 Y CA -0.888 57.230 58.100 0.030 0.000 1.055 269 Y CB 2.592 41.045 38.460 -0.012 0.000 1.292 269 Y HN 0.707 nan 8.280 nan 0.000 0.476 270 G N 0.204 108.900 108.800 -0.173 0.000 2.630 270 G HA2 0.713 4.672 3.960 -0.002 0.000 0.296 270 G HA3 0.713 4.672 3.960 -0.002 0.000 0.296 270 G C -1.680 172.820 174.900 -0.668 0.000 1.285 270 G CA -0.690 44.083 45.100 -0.544 0.000 0.958 270 G HN 0.478 nan 8.290 nan 0.000 0.479 271 Q N -1.480 117.856 119.800 -0.773 0.000 2.668 271 Q HA 0.271 4.610 4.340 -0.002 0.000 0.298 271 Q C 1.648 177.648 176.000 -0.001 0.000 1.071 271 Q CA -0.577 54.866 55.803 -0.601 0.000 0.789 271 Q CB 2.118 30.406 28.738 -0.751 0.000 1.497 271 Q HN 0.820 nan 8.270 nan 0.000 0.460 272 C N -0.746 118.963 119.300 0.682 0.000 2.391 272 C HA -0.155 4.304 4.460 -0.002 0.000 0.276 272 C C 2.101 177.290 174.990 0.332 0.000 1.217 272 C CA 1.396 60.850 59.018 0.727 0.000 1.766 272 C CB -1.657 26.700 27.740 1.028 0.000 2.046 272 C HN 1.005 nan 8.230 nan 0.000 0.475 273 W N 1.923 123.362 121.300 0.232 0.000 2.425 273 W HA 0.152 4.810 4.660 -0.002 0.000 0.277 273 W C 1.756 178.065 176.519 -0.350 0.000 1.231 273 W CA 1.101 58.410 57.345 -0.060 0.000 1.248 273 W CB -1.097 28.306 29.460 -0.095 0.000 1.117 273 W HN 0.194 nan 8.180 nan 0.000 0.568 274 V N 1.018 120.365 119.914 -0.945 0.000 2.379 274 V HA -0.247 3.872 4.120 -0.002 0.000 0.245 274 V C 2.206 177.962 176.094 -0.563 0.000 1.044 274 V CA 1.707 63.489 62.300 -0.864 0.000 1.036 274 V CB -1.103 30.206 31.823 -0.857 0.000 0.664 274 V HN 0.101 nan 8.190 nan 0.000 0.453 275 F N 1.082 120.849 119.950 -0.305 0.000 2.102 275 F HA -0.119 4.407 4.527 -0.002 0.000 0.298 275 F C 2.519 178.244 175.800 -0.124 0.000 1.105 275 F CA 1.611 59.520 58.000 -0.152 0.000 1.239 275 F CB -1.021 37.969 39.000 -0.016 0.000 0.991 275 F HN 0.079 nan 8.300 nan 0.000 0.474 276 A N 0.263 123.134 122.820 0.085 0.000 1.883 276 A HA -0.096 4.223 4.320 -0.002 0.000 0.217 276 A C 2.552 180.095 177.584 -0.068 0.000 1.186 276 A CA 1.893 53.949 52.037 0.030 0.000 0.624 276 A CB -1.645 17.376 19.000 0.035 0.000 0.822 276 A HN 0.417 nan 8.150 nan 0.000 0.444 277 G N -1.261 107.347 108.800 -0.321 0.000 2.418 277 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.217 277 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.217 277 G C 1.555 176.514 174.900 0.098 0.000 1.158 277 G CA 1.654 46.526 45.100 -0.381 0.000 0.771 277 G HN 0.449 nan 8.290 nan 0.000 0.545 278 T N 1.056 115.620 114.554 0.016 0.000 2.777 278 T HA -0.083 4.266 4.350 -0.002 0.000 0.266 278 T C 2.197 176.928 174.700 0.051 0.000 1.040 278 T CA 1.055 63.202 62.100 0.079 0.000 1.141 278 T CB -0.183 68.644 68.868 -0.068 0.000 0.868 278 T HN 0.138 nan 8.240 nan 0.000 0.444 279 L N 1.990 123.233 121.223 0.033 0.000 2.141 279 L HA 0.063 4.402 4.340 -0.002 0.000 0.209 279 L C 1.976 178.863 176.870 0.027 0.000 1.094 279 L CA 1.566 56.429 54.840 0.038 0.000 0.763 279 L CB -0.964 41.135 42.059 0.067 0.000 0.908 279 L HN 0.223 nan 8.230 nan 0.000 0.437 280 N N -1.437 117.266 118.700 0.004 0.000 2.188 280 N HA -0.185 4.554 4.740 -0.002 0.000 0.184 280 N C 1.487 176.909 175.510 -0.148 0.000 1.018 280 N CA 1.733 54.709 53.050 -0.125 0.000 0.858 280 N CB 0.154 38.457 38.487 -0.306 0.000 0.989 280 N HN 0.431 nan 8.380 nan 0.000 0.426 281 T N 0.815 115.372 114.554 0.004 0.000 2.708 281 T HA -0.081 4.268 4.350 -0.002 0.000 0.266 281 T C 1.957 176.679 174.700 0.035 0.000 1.037 281 T CA 1.354 63.486 62.100 0.052 0.000 1.146 281 T CB -0.388 68.587 68.868 0.178 0.000 0.865 281 T HN 0.385 nan 8.240 nan 0.000 0.435 282 A N 1.192 124.041 122.820 0.048 0.000 1.883 282 A HA -0.052 4.267 4.320 -0.002 0.000 0.217 282 A C 2.329 179.963 177.584 0.083 0.000 1.186 282 A CA 1.411 53.484 52.037 0.061 0.000 0.624 282 A CB -0.955 18.067 19.000 0.038 0.000 0.822 282 A HN 0.474 nan 8.150 nan 0.000 0.444 283 L N -1.248 120.016 121.223 0.067 0.000 1.994 283 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 283 L C 2.933 179.874 176.870 0.118 0.000 1.071 283 L CA 1.746 56.645 54.840 0.098 0.000 0.745 283 L CB -0.508 41.603 42.059 0.088 0.000 0.892 283 L HN 0.350 nan 8.230 nan 0.000 0.431 284 R N -0.147 120.386 120.500 0.054 0.000 2.081 284 R HA -0.152 4.187 4.340 -0.002 0.000 0.235 284 R C 2.639 179.029 176.300 0.150 0.000 1.131 284 R CA 1.662 57.803 56.100 0.068 0.000 0.960 284 R CB -0.491 29.772 30.300 -0.062 0.000 0.856 284 R HN 0.509 nan 8.270 nan 0.000 0.436 285 S N 1.138 116.919 115.700 0.135 0.000 2.370 285 S HA -0.121 4.348 4.470 -0.002 0.000 0.226 285 S C 1.963 176.763 174.600 0.335 0.000 1.033 285 S CA 1.070 59.435 58.200 0.275 0.000 1.011 285 S CB -0.425 62.903 63.200 0.213 0.000 0.852 285 S HN 0.266 nan 8.310 nan 0.000 0.457 286 L N 0.892 122.274 121.223 0.265 0.000 2.478 286 L HA 0.257 4.595 4.340 -0.002 0.000 0.223 286 L C 1.992 179.124 176.870 0.438 0.000 1.140 286 L CA 0.528 55.550 54.840 0.302 0.000 0.842 286 L CB -0.674 41.571 42.059 0.310 0.000 0.953 286 L HN 0.703 nan 8.230 nan 0.000 0.452 287 G N 0.428 109.478 108.800 0.417 0.000 2.163 287 G HA2 -0.220 3.738 3.960 -0.002 0.000 0.213 287 G HA3 -0.220 3.738 3.960 -0.002 0.000 0.213 287 G C 0.143 175.256 174.900 0.355 0.000 0.991 287 G CA -0.537 44.839 45.100 0.460 0.000 0.653 287 G HN 0.218 nan 8.290 nan 0.000 0.518 288 I N 2.346 123.061 120.570 0.243 0.000 2.312 288 I HA 0.276 4.445 4.170 -0.002 0.000 0.291 288 I C -2.036 174.188 176.117 0.178 0.000 1.031 288 I CA -2.261 59.114 61.300 0.125 0.000 1.293 288 I CB 1.404 39.426 38.000 0.036 0.000 1.403 288 I HN -0.152 nan 8.210 nan 0.000 0.484 289 P HA 0.021 nan 4.420 nan 0.000 0.264 289 P C -0.732 176.721 177.300 0.255 0.000 1.193 289 P CA 0.220 63.417 63.100 0.161 0.000 0.763 289 P CB 0.581 32.292 31.700 0.018 0.000 0.810 290 S N 2.651 118.496 115.700 0.242 0.000 2.596 290 S HA 0.873 5.342 4.470 -0.002 0.000 0.270 290 S C -1.006 173.632 174.600 0.063 0.000 1.155 290 S CA -1.041 57.286 58.200 0.212 0.000 0.827 290 S CB 2.457 65.736 63.200 0.132 0.000 1.130 290 S HN 0.594 nan 8.310 nan 0.000 0.467 291 R N -0.458 119.995 120.500 -0.078 0.000 2.734 291 R HA 0.785 5.123 4.340 -0.002 0.000 0.271 291 R C -1.976 174.267 176.300 -0.095 0.000 1.021 291 R CA -1.141 54.898 56.100 -0.102 0.000 0.893 291 R CB 1.036 31.192 30.300 -0.241 0.000 1.244 291 R HN 0.446 nan 8.270 nan 0.000 0.464 292 V N 2.446 122.346 119.914 -0.024 0.000 2.427 292 V HA 0.405 4.524 4.120 -0.002 0.000 0.286 292 V C 0.010 176.039 176.094 -0.108 0.000 1.034 292 V CA -0.745 61.538 62.300 -0.028 0.000 0.893 292 V CB 1.358 33.214 31.823 0.055 0.000 0.982 292 V HN 0.505 nan 8.190 nan 0.000 0.452 293 I N 3.549 123.968 120.570 -0.251 0.000 2.493 293 I HA 0.513 4.682 4.170 -0.002 0.000 0.298 293 I C 0.205 175.943 176.117 -0.632 0.000 0.998 293 I CA -0.174 60.851 61.300 -0.458 0.000 1.137 293 I CB 2.011 39.608 38.000 -0.672 0.000 1.310 293 I HN 0.530 nan 8.210 nan 0.000 0.445 294 T N 4.539 118.771 114.554 -0.536 0.000 2.840 294 T HA 0.271 4.619 4.350 -0.002 0.000 0.287 294 T C -0.272 174.059 174.700 -0.615 0.000 0.991 294 T CA -0.592 61.179 62.100 -0.548 0.000 0.964 294 T CB 1.055 69.687 68.868 -0.394 0.000 0.954 294 T HN 0.486 nan 8.240 nan 0.000 0.438 295 N N 2.531 120.827 118.700 -0.675 0.000 2.424 295 N HA 0.466 5.205 4.740 -0.002 0.000 0.271 295 N C -1.274 174.128 175.510 -0.179 0.000 0.985 295 N CA -0.666 52.137 53.050 -0.411 0.000 0.921 295 N CB 0.298 38.515 38.487 -0.450 0.000 1.149 295 N HN 0.309 nan 8.380 nan 0.000 0.492 296 F N 2.296 122.304 119.950 0.097 0.000 2.384 296 F HA 0.317 4.842 4.527 -0.002 0.000 0.338 296 F C 0.867 176.773 175.800 0.177 0.000 1.103 296 F CA -0.492 57.642 58.000 0.222 0.000 1.157 296 F CB 0.654 39.794 39.000 0.234 0.000 1.167 296 F HN 0.467 nan 8.300 nan 0.000 0.529 297 N N 0.803 119.727 118.700 0.373 0.000 2.726 297 N HA -0.224 4.515 4.740 -0.002 0.000 0.253 297 N C -0.640 174.978 175.510 0.179 0.000 1.059 297 N CA 0.393 53.597 53.050 0.256 0.000 0.701 297 N CB -1.123 37.489 38.487 0.208 0.000 0.899 297 N HN 0.447 nan 8.380 nan 0.000 0.548 298 S N -0.356 115.456 115.700 0.186 0.000 2.489 298 S HA 0.669 5.137 4.470 -0.002 0.000 0.277 298 S C 0.429 175.023 174.600 -0.010 0.000 1.230 298 S CA -0.227 58.036 58.200 0.105 0.000 1.053 298 S CB 0.592 63.901 63.200 0.181 0.000 0.955 298 S HN 0.469 nan 8.310 nan 0.000 0.488 299 A N 4.041 126.830 122.820 -0.052 0.000 2.410 299 A HA 0.253 4.571 4.320 -0.002 0.000 0.292 299 A C 0.569 178.044 177.584 -0.182 0.000 1.232 299 A CA -0.038 51.950 52.037 -0.081 0.000 0.893 299 A CB -0.346 18.616 19.000 -0.063 0.000 1.131 299 A HN 1.086 nan 8.150 nan 0.000 0.530 300 H N 1.470 120.348 119.070 -0.320 0.000 2.497 300 H HA 0.028 4.582 4.556 -0.002 0.000 0.282 300 H C 1.058 176.342 175.328 -0.072 0.000 1.003 300 H CA 1.821 57.632 56.048 -0.395 0.000 1.307 300 H CB 0.397 29.676 29.762 -0.804 0.000 1.437 300 H HN 0.682 nan 8.280 nan 0.000 0.544 301 D N -0.549 119.766 120.400 -0.141 0.000 2.541 301 D HA -0.061 4.577 4.640 -0.002 0.000 0.261 301 D C 0.392 176.670 176.300 -0.038 0.000 1.415 301 D CA 1.748 55.668 54.000 -0.133 0.000 1.059 301 D CB -0.300 40.474 40.800 -0.043 0.000 0.971 301 D HN 0.266 nan 8.370 nan 0.000 0.308 302 T N 1.842 116.394 114.554 -0.003 0.000 3.669 302 T HA -0.186 4.163 4.350 -0.002 0.000 0.371 302 T C 0.127 174.846 174.700 0.031 0.000 0.763 302 T CA 1.047 63.162 62.100 0.025 0.000 1.877 302 T CB -1.510 67.375 68.868 0.029 0.000 1.799 302 T HN 0.364 nan 8.240 nan 0.000 0.720 303 D N 0.589 120.994 120.400 0.008 0.000 2.352 303 D HA -0.006 4.633 4.640 -0.002 0.000 0.236 303 D C 0.910 177.209 176.300 -0.001 0.000 1.148 303 D CA -0.369 53.632 54.000 0.001 0.000 0.844 303 D CB -0.035 40.743 40.800 -0.036 0.000 0.933 303 D HN 0.769 nan 8.370 nan 0.000 0.507 304 R N 0.824 121.333 120.500 0.014 0.000 2.983 304 R HA 0.218 4.556 4.340 -0.002 0.000 0.300 304 R C -0.654 175.666 176.300 0.033 0.000 1.367 304 R CA -0.699 55.412 56.100 0.018 0.000 1.564 304 R CB -0.683 29.630 30.300 0.023 0.000 1.314 304 R HN -0.249 nan 8.270 nan 0.000 0.622 305 N N 2.898 121.609 118.700 0.019 0.000 2.681 305 N HA -0.187 4.552 4.740 -0.002 0.000 0.259 305 N C -0.127 175.409 175.510 0.042 0.000 1.066 305 N CA 1.069 54.126 53.050 0.012 0.000 0.717 305 N CB -0.828 37.665 38.487 0.009 0.000 0.885 305 N HN 0.738 nan 8.380 nan 0.000 0.547 306 L N -2.432 118.826 121.223 0.059 0.000 3.678 306 L HA -0.281 4.058 4.340 -0.002 0.000 0.425 306 L C 0.101 177.084 176.870 0.187 0.000 1.240 306 L CA 1.003 55.923 54.840 0.134 0.000 0.876 306 L CB -1.870 40.249 42.059 0.100 0.000 1.766 306 L HN 0.564 nan 8.230 nan 0.000 0.917 307 S N -0.281 115.494 115.700 0.125 0.000 2.543 307 S HA 0.750 5.219 4.470 -0.002 0.000 0.271 307 S C -0.460 174.195 174.600 0.092 0.000 1.148 307 S CA -0.160 58.112 58.200 0.120 0.000 0.914 307 S CB 2.013 65.292 63.200 0.131 0.000 1.096 307 S HN 0.378 nan 8.310 nan 0.000 0.471 308 V N 1.590 121.557 119.914 0.087 0.000 2.628 308 V HA 0.745 4.863 4.120 -0.002 0.000 0.306 308 V C -0.984 175.175 176.094 0.108 0.000 1.045 308 V CA -0.824 61.525 62.300 0.081 0.000 0.905 308 V CB 1.837 33.698 31.823 0.063 0.000 0.997 308 V HN 0.796 nan 8.190 nan 0.000 0.436 309 D N 2.560 123.027 120.400 0.112 0.000 2.192 309 D HA 0.665 5.304 4.640 -0.002 0.000 0.246 309 D C -0.737 175.609 176.300 0.077 0.000 1.042 309 D CA -0.185 53.892 54.000 0.128 0.000 0.847 309 D CB 2.517 43.333 40.800 0.027 0.000 1.186 309 D HN 0.484 nan 8.370 nan 0.000 0.461 310 V N 2.336 122.271 119.914 0.034 0.000 2.588 310 V HA 0.350 4.468 4.120 -0.002 0.000 0.304 310 V C -1.031 174.992 176.094 -0.119 0.000 1.042 310 V CA -0.777 61.518 62.300 -0.008 0.000 0.877 310 V CB 1.197 33.034 31.823 0.024 0.000 0.996 310 V HN 0.401 nan 8.190 nan 0.000 0.425 311 Y N 3.365 123.552 120.300 -0.188 0.000 2.468 311 Y HA 0.782 5.330 4.550 -0.002 0.000 0.342 311 Y C -0.553 175.096 175.900 -0.419 0.000 1.021 311 Y CA -0.825 57.184 58.100 -0.152 0.000 1.079 311 Y CB 1.937 40.299 38.460 -0.163 0.000 1.226 311 Y HN 0.544 nan 8.280 nan 0.000 0.460 312 Y N 0.062 120.434 120.300 0.120 0.000 2.588 312 Y HA 0.357 4.906 4.550 -0.002 0.000 0.343 312 Y C -0.720 175.203 175.900 0.039 0.000 1.065 312 Y CA -1.494 56.629 58.100 0.039 0.000 1.038 312 Y CB 1.697 40.160 38.460 0.006 0.000 1.297 312 Y HN 0.621 nan 8.280 nan 0.000 0.467 313 D N 0.037 120.558 120.400 0.202 0.000 2.440 313 D HA 0.403 5.042 4.640 -0.002 0.000 0.258 313 D C -2.470 173.900 176.300 0.117 0.000 1.092 313 D CA -2.419 51.658 54.000 0.129 0.000 1.016 313 D CB 1.141 42.011 40.800 0.118 0.000 1.141 313 D HN 0.107 nan 8.370 nan 0.000 0.552 314 P HA -0.009 nan 4.420 nan 0.000 0.226 314 P C 0.823 178.179 177.300 0.093 0.000 1.153 314 P CA 1.020 64.190 63.100 0.116 0.000 0.777 314 P CB 0.014 31.805 31.700 0.151 0.000 0.794 315 M N -2.072 117.583 119.600 0.092 0.000 2.659 315 M HA 0.257 4.735 4.480 -0.002 0.000 0.243 315 M C 1.379 177.737 176.300 0.095 0.000 1.111 315 M CA 0.770 56.117 55.300 0.078 0.000 1.070 315 M CB -1.177 31.468 32.600 0.076 0.000 1.525 315 M HN 0.017 nan 8.290 nan 0.000 0.517 316 G N -0.333 108.538 108.800 0.118 0.000 2.157 316 G HA2 -0.222 3.736 3.960 -0.002 0.000 0.239 316 G HA3 -0.222 3.736 3.960 -0.002 0.000 0.239 316 G C -0.011 175.030 174.900 0.235 0.000 0.982 316 G CA -0.344 44.839 45.100 0.138 0.000 0.650 316 G HN 0.453 nan 8.290 nan 0.000 0.527 317 N N 1.645 120.483 118.700 0.231 0.000 2.514 317 N HA 0.425 5.164 4.740 -0.002 0.000 0.277 317 N C -2.747 172.814 175.510 0.086 0.000 1.126 317 N CA -0.894 52.274 53.050 0.197 0.000 0.978 317 N CB 1.345 39.940 38.487 0.180 0.000 1.106 317 N HN 0.117 nan 8.380 nan 0.000 0.461 318 P HA 0.266 nan 4.420 nan 0.000 0.278 318 P C -0.320 176.684 177.300 -0.493 0.000 1.238 318 P CA -0.183 62.668 63.100 -0.416 0.000 0.794 318 P CB 0.928 32.374 31.700 -0.423 0.000 0.955 319 L N 2.513 123.479 121.223 -0.427 0.000 2.334 319 L HA 0.280 4.619 4.340 -0.002 0.000 0.275 319 L C 1.426 178.101 176.870 -0.325 0.000 1.036 319 L CA -0.498 54.148 54.840 -0.322 0.000 0.807 319 L CB 0.877 42.808 42.059 -0.213 0.000 1.231 319 L HN 0.372 nan 8.230 nan 0.000 0.438 320 D N 0.827 121.049 120.400 -0.297 0.000 2.190 320 D HA -0.157 4.482 4.640 -0.002 0.000 0.200 320 D C 0.792 176.969 176.300 -0.205 0.000 0.992 320 D CA 1.555 55.411 54.000 -0.240 0.000 0.854 320 D CB 0.231 40.916 40.800 -0.191 0.000 0.936 320 D HN 0.240 nan 8.370 nan 0.000 0.462 321 K N 0.294 120.547 120.400 -0.245 0.000 2.363 321 K HA 0.197 4.516 4.320 -0.002 0.000 0.289 321 K C 0.706 177.243 176.600 -0.105 0.000 1.063 321 K CA 0.656 56.801 56.287 -0.237 0.000 0.967 321 K CB 0.188 32.415 32.500 -0.456 0.000 0.987 321 K HN 0.146 nan 8.250 nan 0.000 0.473 322 G N 2.668 111.438 108.800 -0.050 0.000 2.176 322 G HA2 -0.354 3.605 3.960 -0.002 0.000 0.253 322 G HA3 -0.354 3.605 3.960 -0.002 0.000 0.253 322 G C 0.949 175.832 174.900 -0.027 0.000 0.979 322 G CA 0.814 45.924 45.100 0.017 0.000 0.641 322 G HN 0.825 nan 8.290 nan 0.000 0.530 323 S N 0.568 116.211 115.700 -0.095 0.000 2.423 323 S HA -0.016 4.453 4.470 -0.002 0.000 0.231 323 S C 1.436 175.998 174.600 -0.063 0.000 1.014 323 S CA 1.754 59.877 58.200 -0.128 0.000 0.965 323 S CB -0.112 62.971 63.200 -0.195 0.000 0.785 323 S HN 0.856 nan 8.310 nan 0.000 0.495 324 D N 0.247 120.631 120.400 -0.028 0.000 2.501 324 D HA 0.322 4.961 4.640 -0.002 0.000 0.226 324 D C 0.866 177.307 176.300 0.235 0.000 1.198 324 D CA -0.179 53.829 54.000 0.013 0.000 0.830 324 D CB -0.118 40.625 40.800 -0.096 0.000 1.014 324 D HN 0.292 nan 8.370 nan 0.000 0.496 325 S N -0.627 115.176 115.700 0.172 0.000 2.414 325 S HA 0.064 4.532 4.470 -0.002 0.000 0.227 325 S C 0.856 175.570 174.600 0.191 0.000 1.022 325 S CA 0.184 58.491 58.200 0.178 0.000 0.958 325 S CB 0.440 63.697 63.200 0.095 0.000 0.797 325 S HN 0.228 nan 8.310 nan 0.000 0.493 326 V N 2.880 122.923 119.914 0.215 0.000 2.305 326 V HA 0.284 4.403 4.120 -0.002 0.000 0.275 326 V C -1.068 175.220 176.094 0.323 0.000 1.020 326 V CA -0.996 61.428 62.300 0.207 0.000 0.811 326 V CB 0.281 32.191 31.823 0.145 0.000 1.031 326 V HN 0.396 nan 8.190 nan 0.000 0.439 327 W N 2.862 124.153 121.300 -0.016 0.000 2.181 327 W HA 0.262 4.921 4.660 -0.002 0.000 0.335 327 W C 1.613 178.176 176.519 0.073 0.000 1.310 327 W CA -0.783 56.527 57.345 -0.058 0.000 1.226 327 W CB -0.166 29.212 29.460 -0.136 0.000 1.155 327 W HN 0.498 nan 8.180 nan 0.000 0.565 328 N N 1.178 120.064 118.700 0.310 0.000 2.192 328 N HA -0.174 4.565 4.740 -0.002 0.000 0.188 328 N C -0.096 175.740 175.510 0.544 0.000 1.013 328 N CA 1.429 54.721 53.050 0.403 0.000 0.863 328 N CB -0.080 38.665 38.487 0.431 0.000 0.990 328 N HN 0.384 nan 8.380 nan 0.000 0.430 329 F N -2.411 117.791 119.950 0.420 0.000 2.725 329 F HA 0.457 4.983 4.527 -0.002 0.000 0.309 329 F C -1.211 174.864 175.800 0.458 0.000 1.132 329 F CA -1.324 56.761 58.000 0.141 0.000 0.957 329 F CB 0.896 39.684 39.000 -0.353 0.000 1.286 329 F HN -0.192 nan 8.300 nan 0.000 0.440 330 H N 1.549 120.810 119.070 0.319 0.000 2.759 330 H HA 0.797 5.352 4.556 -0.002 0.000 0.354 330 H C -2.015 173.448 175.328 0.224 0.000 1.074 330 H CA -1.035 55.240 56.048 0.378 0.000 1.226 330 H CB 2.109 31.984 29.762 0.189 0.000 1.648 330 H HN 0.726 nan 8.280 nan 0.000 0.529 331 V N 6.174 126.000 119.914 -0.146 0.000 2.483 331 V HA 0.439 4.558 4.120 -0.002 0.000 0.295 331 V C -0.609 175.321 176.094 -0.274 0.000 1.035 331 V CA -0.333 61.824 62.300 -0.238 0.000 0.896 331 V CB 0.576 32.460 31.823 0.102 0.000 0.986 331 V HN 0.884 nan 8.190 nan 0.000 0.447 332 W N 3.778 124.946 121.300 -0.219 0.000 3.483 332 W HA 0.743 5.401 4.660 -0.002 0.000 0.378 332 W C -1.209 175.284 176.519 -0.044 0.000 1.097 332 W CA -1.091 56.183 57.345 -0.119 0.000 1.075 332 W CB 0.716 30.121 29.460 -0.092 0.000 1.534 332 W HN 0.386 nan 8.180 nan 0.000 0.610 333 N N -0.349 118.636 118.700 0.475 0.000 2.509 333 N HA 0.524 5.263 4.740 -0.002 0.000 0.280 333 N C -1.815 173.895 175.510 0.334 0.000 1.306 333 N CA -1.036 52.177 53.050 0.271 0.000 0.782 333 N CB 2.397 40.982 38.487 0.163 0.000 1.493 333 N HN 0.455 nan 8.380 nan 0.000 0.498 334 E N -0.662 119.639 120.200 0.170 0.000 2.256 334 E HA 0.608 4.956 4.350 -0.002 0.000 0.268 334 E C -0.988 175.791 176.600 0.298 0.000 0.877 334 E CA -0.943 55.573 56.400 0.193 0.000 0.757 334 E CB 2.101 31.790 29.700 -0.018 0.000 1.183 334 E HN 0.592 nan 8.360 nan 0.000 0.418 335 G N 1.875 110.857 108.800 0.304 0.000 2.448 335 G HA2 0.327 4.285 3.960 -0.002 0.000 0.324 335 G HA3 0.327 4.285 3.960 -0.002 0.000 0.324 335 G C -1.559 173.363 174.900 0.037 0.000 1.203 335 G CA -0.532 44.751 45.100 0.305 0.000 0.954 335 G HN 0.434 nan 8.290 nan 0.000 0.480 336 W N 4.307 125.499 121.300 -0.180 0.000 2.294 336 W HA 0.631 5.290 4.660 -0.002 0.000 0.314 336 W C -1.762 174.626 176.519 -0.218 0.000 1.044 336 W CA -1.205 55.806 57.345 -0.556 0.000 1.284 336 W CB 0.733 29.661 29.460 -0.886 0.000 1.231 336 W HN 0.447 nan 8.180 nan 0.000 0.419 337 F N 3.125 122.712 119.950 -0.605 0.000 2.744 337 F HA 0.453 4.979 4.527 -0.002 0.000 0.311 337 F C -0.595 174.937 175.800 -0.445 0.000 1.144 337 F CA -1.672 56.062 58.000 -0.445 0.000 0.938 337 F CB -0.266 38.595 39.000 -0.232 0.000 1.292 337 F HN 0.100 nan 8.300 nan 0.000 0.444 338 V N 0.038 119.923 119.914 -0.048 0.000 3.185 338 V HA 0.623 4.742 4.120 -0.002 0.000 0.305 338 V C -0.106 176.035 176.094 0.079 0.000 1.090 338 V CA -0.653 61.607 62.300 -0.067 0.000 1.107 338 V CB 0.996 32.808 31.823 -0.018 0.000 1.061 338 V HN 0.852 nan 8.190 nan 0.000 0.480 339 R N 2.244 122.771 120.500 0.045 0.000 2.477 339 R HA 0.318 4.656 4.340 -0.002 0.000 0.285 339 R C 1.231 177.581 176.300 0.084 0.000 1.415 339 R CA 0.441 56.602 56.100 0.102 0.000 1.446 339 R CB 0.749 31.101 30.300 0.086 0.000 1.110 339 R HN 1.078 nan 8.270 nan 0.000 0.590 340 S N 0.051 115.799 115.700 0.081 0.000 2.442 340 S HA -0.162 4.307 4.470 -0.002 0.000 0.236 340 S C 1.158 175.792 174.600 0.056 0.000 1.007 340 S CA 1.332 59.569 58.200 0.062 0.000 0.965 340 S CB 0.023 63.259 63.200 0.059 0.000 0.773 340 S HN 0.511 nan 8.310 nan 0.000 0.504 341 D N 1.380 121.815 120.400 0.060 0.000 2.323 341 D HA 0.016 4.655 4.640 -0.002 0.000 0.209 341 D C 1.746 178.041 176.300 -0.008 0.000 0.973 341 D CA 0.396 54.414 54.000 0.030 0.000 0.874 341 D CB -0.282 40.544 40.800 0.044 0.000 0.930 341 D HN 0.501 nan 8.370 nan 0.000 0.521 342 L N -0.775 120.453 121.223 0.008 0.000 2.467 342 L HA 0.427 4.766 4.340 -0.002 0.000 0.213 342 L C 1.285 178.245 176.870 0.150 0.000 1.053 342 L CA 0.422 55.242 54.840 -0.033 0.000 0.847 342 L CB 0.235 42.189 42.059 -0.175 0.000 1.075 342 L HN 0.273 nan 8.230 nan 0.000 0.479 343 G N -0.629 108.281 108.800 0.184 0.000 2.351 343 G HA2 -0.024 3.934 3.960 -0.002 0.000 0.353 343 G HA3 -0.024 3.934 3.960 -0.002 0.000 0.353 343 G C -2.681 172.286 174.900 0.112 0.000 1.358 343 G CA -0.696 44.505 45.100 0.168 0.000 0.995 343 G HN -0.238 nan 8.290 nan 0.000 0.611 344 P HA 0.016 nan 4.420 nan 0.000 0.222 344 P C 1.834 179.070 177.300 -0.106 0.000 1.147 344 P CA 1.992 65.073 63.100 -0.032 0.000 0.790 344 P CB 0.143 31.824 31.700 -0.030 0.000 0.780 345 S N -3.026 112.545 115.700 -0.215 0.000 2.575 345 S HA 0.034 4.503 4.470 -0.002 0.000 0.215 345 S C 1.015 175.304 174.600 -0.518 0.000 0.966 345 S CA -0.006 57.965 58.200 -0.382 0.000 0.911 345 S CB -1.044 61.864 63.200 -0.486 0.000 0.780 345 S HN 0.182 nan 8.310 nan 0.000 0.514 346 Y N 1.796 122.047 120.300 -0.082 0.000 2.507 346 Y HA 0.453 5.002 4.550 -0.002 0.000 0.254 346 Y C 1.704 177.500 175.900 -0.173 0.000 1.171 346 Y CA -0.667 57.370 58.100 -0.104 0.000 1.238 346 Y CB -0.048 38.368 38.460 -0.074 0.000 1.148 346 Y HN 0.383 nan 8.280 nan 0.000 0.525 347 G N 0.064 108.793 108.800 -0.119 0.000 2.683 347 G HA2 0.435 4.393 3.960 -0.002 0.000 0.260 347 G HA3 0.435 4.393 3.960 -0.002 0.000 0.260 347 G C 0.598 175.183 174.900 -0.526 0.000 1.238 347 G CA 0.488 45.408 45.100 -0.299 0.000 0.934 347 G HN 0.554 nan 8.290 nan 0.000 0.534 348 G N -1.321 106.872 108.800 -1.013 0.000 2.443 348 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.209 348 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.209 348 G C -0.280 173.977 174.900 -1.071 0.000 1.176 348 G CA -0.246 43.914 45.100 -1.566 0.000 1.074 348 G HN 0.813 nan 8.290 nan 0.000 0.577 349 W N 2.146 123.249 121.300 -0.328 0.000 2.253 349 W HA 0.567 5.226 4.660 -0.002 0.000 0.322 349 W C 0.446 176.785 176.519 -0.301 0.000 1.342 349 W CA -0.210 57.028 57.345 -0.179 0.000 1.218 349 W CB 0.771 30.217 29.460 -0.023 0.000 1.205 349 W HN 0.354 nan 8.180 nan 0.000 0.551 350 Q N 2.860 122.626 119.800 -0.058 0.000 2.321 350 Q HA 0.305 4.643 4.340 -0.002 0.000 0.270 350 Q C -0.618 175.402 176.000 0.034 0.000 1.032 350 Q CA -1.008 54.711 55.803 -0.139 0.000 0.784 350 Q CB 1.772 30.236 28.738 -0.456 0.000 1.264 350 Q HN 0.238 nan 8.270 nan 0.000 0.448 351 V N 3.833 123.776 119.914 0.049 0.000 2.585 351 V HA 0.188 4.306 4.120 -0.002 0.000 0.296 351 V C 0.278 176.395 176.094 0.038 0.000 1.035 351 V CA 0.203 62.534 62.300 0.051 0.000 1.084 351 V CB 0.129 31.887 31.823 -0.108 0.000 0.953 351 V HN 0.554 nan 8.190 nan 0.000 0.483 352 L N 4.606 125.879 121.223 0.084 0.000 2.476 352 L HA 0.561 4.900 4.340 -0.002 0.000 0.269 352 L C -1.071 175.866 176.870 0.112 0.000 0.965 352 L CA -0.371 54.523 54.840 0.089 0.000 0.845 352 L CB 2.210 44.348 42.059 0.132 0.000 1.259 352 L HN 0.552 nan 8.230 nan 0.000 0.403 353 D N 2.047 122.496 120.400 0.081 0.000 2.549 353 D HA 0.479 5.118 4.640 -0.002 0.000 0.251 353 D C 0.199 176.562 176.300 0.105 0.000 1.153 353 D CA -0.297 53.790 54.000 0.144 0.000 0.861 353 D CB 2.456 43.348 40.800 0.155 0.000 1.207 353 D HN 0.568 nan 8.370 nan 0.000 0.543 354 A N 2.818 125.702 122.820 0.107 0.000 2.238 354 A HA 0.137 4.456 4.320 -0.002 0.000 0.210 354 A C 0.955 178.441 177.584 -0.163 0.000 1.179 354 A CA 0.205 52.267 52.037 0.043 0.000 0.827 354 A CB -0.054 19.021 19.000 0.124 0.000 0.856 354 A HN 0.473 nan 8.150 nan 0.000 0.488 355 T N 3.942 118.399 114.554 -0.163 0.000 2.853 355 T HA 0.284 4.632 4.350 -0.002 0.000 0.298 355 T C -2.542 171.994 174.700 -0.273 0.000 0.978 355 T CA -0.481 61.348 62.100 -0.451 0.000 1.152 355 T CB 0.659 69.606 68.868 0.131 0.000 0.914 355 T HN 0.230 nan 8.240 nan 0.000 0.539 356 P HA 0.154 nan 4.420 nan 0.000 0.274 356 P C -0.242 176.985 177.300 -0.122 0.000 1.291 356 P CA 0.088 63.027 63.100 -0.269 0.000 0.815 356 P CB 0.846 32.178 31.700 -0.612 0.000 0.897 357 Q N 1.398 121.229 119.800 0.051 0.000 2.474 357 Q HA 0.147 4.486 4.340 -0.002 0.000 0.191 357 Q C -0.007 175.951 176.000 -0.070 0.000 0.700 357 Q CA 0.006 55.809 55.803 -0.001 0.000 0.849 357 Q CB 0.327 28.992 28.738 -0.122 0.000 1.232 357 Q HN 0.329 nan 8.270 nan 0.000 0.563 358 E N 1.111 121.105 120.200 -0.344 0.000 2.183 358 E HA 0.281 4.629 4.350 -0.002 0.000 0.271 358 E C -1.136 175.236 176.600 -0.379 0.000 0.919 358 E CA -0.324 55.794 56.400 -0.469 0.000 0.781 358 E CB 1.126 30.274 29.700 -0.919 0.000 1.140 358 E HN 0.001 nan 8.360 nan 0.000 0.402 359 R N 1.986 122.189 120.500 -0.494 0.000 2.490 359 R HA 0.365 4.704 4.340 -0.002 0.000 0.280 359 R C -0.680 175.424 176.300 -0.327 0.000 1.077 359 R CA -0.131 55.617 56.100 -0.587 0.000 1.065 359 R CB 1.209 31.115 30.300 -0.656 0.000 1.003 359 R HN 0.388 nan 8.270 nan 0.000 0.470 360 S N 1.890 117.444 115.700 -0.244 0.000 2.647 360 S HA 0.110 4.579 4.470 -0.002 0.000 0.300 360 S C -0.605 173.939 174.600 -0.094 0.000 1.129 360 S CA -0.468 57.653 58.200 -0.131 0.000 1.029 360 S CB 0.910 64.066 63.200 -0.073 0.000 1.007 360 S HN 0.718 nan 8.310 nan 0.000 0.484 361 Q N 2.694 122.456 119.800 -0.063 0.000 2.475 361 Q HA -0.219 4.119 4.340 -0.002 0.000 0.280 361 Q C 0.887 176.848 176.000 -0.066 0.000 1.234 361 Q CA 0.891 56.672 55.803 -0.037 0.000 0.873 361 Q CB -1.901 26.841 28.738 0.007 0.000 1.256 361 Q HN 1.649 nan 8.270 nan 0.000 0.475 362 G N -2.295 106.438 108.800 -0.111 0.000 2.184 362 G HA2 -0.303 3.655 3.960 -0.002 0.000 0.264 362 G HA3 -0.303 3.655 3.960 -0.002 0.000 0.264 362 G C 0.110 174.915 174.900 -0.159 0.000 0.975 362 G CA 0.220 45.244 45.100 -0.128 0.000 0.642 362 G HN 0.438 nan 8.290 nan 0.000 0.536 363 V N -0.230 119.578 119.914 -0.175 0.000 2.962 363 V HA 0.635 4.754 4.120 -0.002 0.000 0.313 363 V C -0.059 175.911 176.094 -0.205 0.000 1.099 363 V CA -1.091 61.120 62.300 -0.148 0.000 0.971 363 V CB 1.911 33.705 31.823 -0.047 0.000 1.028 363 V HN 0.164 nan 8.190 nan 0.000 0.430 364 F N 4.121 124.039 119.950 -0.052 0.000 2.600 364 F HA 0.359 4.884 4.527 -0.002 0.000 0.345 364 F C 0.810 176.564 175.800 -0.076 0.000 1.271 364 F CA 0.221 58.176 58.000 -0.074 0.000 1.138 364 F CB 0.021 38.987 39.000 -0.057 0.000 1.449 364 F HN 0.573 nan 8.300 nan 0.000 0.645 365 Q N 1.864 121.680 119.800 0.027 0.000 2.418 365 Q HA 0.690 5.029 4.340 -0.002 0.000 0.282 365 Q C -1.705 174.274 176.000 -0.035 0.000 1.044 365 Q CA -1.115 54.680 55.803 -0.013 0.000 0.813 365 Q CB 2.361 31.062 28.738 -0.062 0.000 1.428 365 Q HN 0.370 nan 8.270 nan 0.000 0.402 366 C N 1.085 120.370 119.300 -0.026 0.000 2.716 366 C HA 0.860 5.318 4.460 -0.002 0.000 0.366 366 C C 0.220 175.212 174.990 0.004 0.000 1.073 366 C CA 1.137 60.154 59.018 -0.001 0.000 1.260 366 C CB 0.479 28.238 27.740 0.031 0.000 1.755 366 C HN 1.409 nan 8.230 nan 0.000 0.475 367 G N 6.679 115.495 108.800 0.027 0.000 2.592 367 G HA2 0.050 4.009 3.960 -0.002 0.000 0.684 367 G HA3 0.050 4.009 3.960 -0.002 0.000 0.684 367 G C -3.299 171.570 174.900 -0.052 0.000 1.291 367 G CA -0.418 44.714 45.100 0.053 0.000 0.891 367 G HN 0.714 nan 8.290 nan 0.000 0.544 368 P HA 0.521 nan 4.420 nan 0.000 0.279 368 P C -0.369 177.059 177.300 0.213 0.000 1.239 368 P CA 0.514 63.724 63.100 0.184 0.000 0.789 368 P CB 1.544 33.428 31.700 0.308 0.000 0.933 369 A N 2.408 125.287 122.820 0.097 0.000 2.319 369 A HA 0.422 4.741 4.320 -0.002 0.000 0.310 369 A C 0.284 177.868 177.584 -0.001 0.000 1.152 369 A CA -0.699 51.368 52.037 0.049 0.000 0.783 369 A CB 0.690 19.701 19.000 0.019 0.000 1.184 369 A HN 0.467 nan 8.150 nan 0.000 0.474 370 S N 2.260 117.950 115.700 -0.017 0.000 2.515 370 S HA 0.150 4.618 4.470 -0.002 0.000 0.285 370 S C 1.382 175.966 174.600 -0.026 0.000 1.265 370 S CA -0.296 57.893 58.200 -0.018 0.000 1.079 370 S CB 0.055 63.282 63.200 0.044 0.000 0.877 370 S HN 0.717 nan 8.310 nan 0.000 0.493 371 V N 7.334 127.200 119.914 -0.080 0.000 2.407 371 V HA -0.183 3.936 4.120 -0.002 0.000 0.248 371 V C 2.122 178.133 176.094 -0.139 0.000 1.055 371 V CA 1.935 64.103 62.300 -0.221 0.000 1.049 371 V CB -0.652 30.985 31.823 -0.310 0.000 0.662 371 V HN 0.899 nan 8.190 nan 0.000 0.455 372 I N 0.740 121.287 120.570 -0.039 0.000 2.286 372 I HA -0.155 4.014 4.170 -0.002 0.000 0.248 372 I C 2.533 178.715 176.117 0.109 0.000 1.115 372 I CA 1.615 62.918 61.300 0.005 0.000 1.392 372 I CB -0.782 37.211 38.000 -0.012 0.000 1.065 372 I HN 0.416 nan 8.210 nan 0.000 0.418 373 G N 0.220 109.140 108.800 0.201 0.000 2.422 373 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.218 373 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.218 373 G C 1.693 176.687 174.900 0.157 0.000 1.140 373 G CA 0.593 45.835 45.100 0.237 0.000 0.775 373 G HN 0.235 nan 8.290 nan 0.000 0.545 374 V N 0.488 120.476 119.914 0.123 0.000 2.358 374 V HA -0.101 4.018 4.120 -0.002 0.000 0.246 374 V C 2.758 179.019 176.094 0.279 0.000 1.047 374 V CA 1.893 64.327 62.300 0.224 0.000 1.035 374 V CB -0.411 31.486 31.823 0.123 0.000 0.658 374 V HN 0.374 nan 8.190 nan 0.000 0.452 375 R N 0.096 120.669 120.500 0.123 0.000 2.105 375 R HA -0.166 4.172 4.340 -0.002 0.000 0.239 375 R C 1.941 178.393 176.300 0.252 0.000 1.135 375 R CA 1.471 57.630 56.100 0.098 0.000 0.967 375 R CB -0.021 30.229 30.300 -0.082 0.000 0.861 375 R HN 0.454 nan 8.270 nan 0.000 0.442 376 E N -0.861 119.486 120.200 0.245 0.000 2.489 376 E HA 0.054 4.403 4.350 -0.002 0.000 0.193 376 E C 0.838 177.568 176.600 0.217 0.000 1.057 376 E CA 0.736 57.294 56.400 0.263 0.000 0.866 376 E CB 0.586 30.409 29.700 0.204 0.000 0.916 376 E HN 0.588 nan 8.360 nan 0.000 0.500 377 G N 2.397 111.341 108.800 0.240 0.000 2.176 377 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.252 377 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.252 377 G C -0.185 174.639 174.900 -0.126 0.000 1.024 377 G CA 0.241 45.323 45.100 -0.029 0.000 0.755 377 G HN 0.154 nan 8.290 nan 0.000 0.507 378 D N 0.789 121.178 120.400 -0.018 0.000 2.994 378 D HA 0.201 4.840 4.640 -0.002 0.000 0.240 378 D C 2.034 178.260 176.300 -0.124 0.000 1.195 378 D CA 0.486 54.454 54.000 -0.053 0.000 0.957 378 D CB 0.325 41.139 40.800 0.024 0.000 1.105 378 D HN 0.615 nan 8.370 nan 0.000 0.477 379 V N -0.881 118.922 119.914 -0.186 0.000 3.590 379 V HA -0.149 3.970 4.120 -0.002 0.000 0.272 379 V C 1.119 177.118 176.094 -0.159 0.000 1.233 379 V CA 0.797 62.988 62.300 -0.182 0.000 1.182 379 V CB -0.556 31.102 31.823 -0.274 0.000 0.901 379 V HN 0.019 nan 8.190 nan 0.000 0.485 380 Q N 0.548 120.253 119.800 -0.158 0.000 2.408 380 Q HA 0.419 4.758 4.340 -0.002 0.000 0.205 380 Q C 0.517 176.408 176.000 -0.180 0.000 0.919 380 Q CA 0.346 56.059 55.803 -0.150 0.000 0.932 380 Q CB -0.185 28.474 28.738 -0.131 0.000 1.058 380 Q HN 0.654 nan 8.270 nan 0.000 0.517 381 L N 1.503 122.597 121.223 -0.214 0.000 2.395 381 L HA 0.252 4.591 4.340 -0.002 0.000 0.269 381 L C 0.170 176.867 176.870 -0.289 0.000 1.133 381 L CA -0.841 53.833 54.840 -0.276 0.000 0.812 381 L CB 0.453 42.292 42.059 -0.366 0.000 1.125 381 L HN 0.111 nan 8.230 nan 0.000 0.452 382 N N 1.318 119.758 118.700 -0.435 0.000 2.525 382 N HA 0.382 5.121 4.740 -0.002 0.000 0.271 382 N C -0.915 174.403 175.510 -0.319 0.000 1.194 382 N CA 0.164 52.785 53.050 -0.716 0.000 0.964 382 N CB 0.842 38.270 38.487 -1.765 0.000 1.126 382 N HN 0.218 nan 8.380 nan 0.000 0.452 383 F N -0.414 119.517 119.950 -0.033 0.000 2.563 383 F HA 0.254 4.780 4.527 -0.002 0.000 0.316 383 F C 0.588 176.377 175.800 -0.019 0.000 1.076 383 F CA -0.836 57.149 58.000 -0.025 0.000 0.921 383 F CB 1.071 40.065 39.000 -0.011 0.000 1.209 383 F HN 0.348 nan 8.300 nan 0.000 0.462 384 D N 1.768 122.260 120.400 0.155 0.000 2.751 384 D HA -0.227 4.412 4.640 -0.002 0.000 0.233 384 D C 1.282 177.642 176.300 0.100 0.000 1.149 384 D CA 0.694 54.762 54.000 0.114 0.000 0.682 384 D CB -0.747 40.133 40.800 0.133 0.000 1.068 384 D HN 0.614 nan 8.370 nan 0.000 0.429 385 M N -1.242 118.384 119.600 0.043 0.000 2.175 385 M HA -0.097 4.382 4.480 -0.002 0.000 0.264 385 M C -0.690 175.650 176.300 0.066 0.000 1.063 385 M CA 1.605 56.927 55.300 0.037 0.000 1.119 385 M CB -1.063 31.524 32.600 -0.021 0.000 1.377 385 M HN 0.043 nan 8.290 nan 0.000 0.415 386 P HA -0.209 nan 4.420 nan 0.000 0.214 386 P C 1.419 178.793 177.300 0.124 0.000 1.163 386 P CA 1.358 64.484 63.100 0.043 0.000 0.889 386 P CB -0.260 31.447 31.700 0.012 0.000 0.790 387 F N 0.085 120.023 119.950 -0.020 0.000 2.102 387 F HA -0.156 4.370 4.527 -0.002 0.000 0.298 387 F C 2.034 177.805 175.800 -0.047 0.000 1.105 387 F CA 1.464 59.435 58.000 -0.048 0.000 1.239 387 F CB -0.951 37.995 39.000 -0.090 0.000 0.991 387 F HN -0.233 nan 8.300 nan 0.000 0.474 388 I N -0.859 119.565 120.570 -0.244 0.000 2.286 388 I HA -0.276 3.892 4.170 -0.002 0.000 0.248 388 I C 2.346 178.332 176.117 -0.218 0.000 1.115 388 I CA 1.322 62.378 61.300 -0.407 0.000 1.392 388 I CB -0.675 37.181 38.000 -0.239 0.000 1.065 388 I HN 0.183 nan 8.210 nan 0.000 0.418 389 F N 1.863 121.722 119.950 -0.152 0.000 2.134 389 F HA -0.255 4.271 4.527 -0.002 0.000 0.299 389 F C 2.504 178.266 175.800 -0.063 0.000 1.097 389 F CA 1.546 59.513 58.000 -0.055 0.000 1.264 389 F CB -0.216 38.764 39.000 -0.035 0.000 1.001 389 F HN 0.005 nan 8.300 nan 0.000 0.479 390 A N 0.115 122.964 122.820 0.049 0.000 1.933 390 A HA -0.207 4.111 4.320 -0.002 0.000 0.218 390 A C 2.064 179.551 177.584 -0.163 0.000 1.175 390 A CA 1.783 53.810 52.037 -0.018 0.000 0.628 390 A CB -0.897 18.096 19.000 -0.013 0.000 0.814 390 A HN 0.561 nan 8.150 nan 0.000 0.444 391 E N -0.390 119.607 120.200 -0.338 0.000 2.219 391 E HA -0.162 4.187 4.350 -0.002 0.000 0.198 391 E C 1.733 178.270 176.600 -0.104 0.000 0.998 391 E CA 1.734 57.962 56.400 -0.287 0.000 0.818 391 E CB -0.267 29.184 29.700 -0.414 0.000 0.741 391 E HN 0.715 nan 8.360 nan 0.000 0.477 392 V N -3.257 116.581 119.914 -0.127 0.000 3.645 392 V HA 0.206 4.325 4.120 -0.002 0.000 0.275 392 V C 0.796 176.813 176.094 -0.129 0.000 1.356 392 V CA 0.441 62.690 62.300 -0.085 0.000 1.051 392 V CB 0.156 31.951 31.823 -0.047 0.000 0.828 392 V HN 0.022 nan 8.190 nan 0.000 0.441 393 N N 0.974 119.562 118.700 -0.188 0.000 2.166 393 N HA 0.547 5.286 4.740 -0.002 0.000 0.213 393 N C 0.814 176.388 175.510 0.107 0.000 1.222 393 N CA 0.499 53.494 53.050 -0.091 0.000 0.900 393 N CB 0.775 39.085 38.487 -0.294 0.000 1.055 393 N HN 0.537 nan 8.380 nan 0.000 0.515 394 A N 0.838 123.709 122.820 0.086 0.000 2.561 394 A HA 0.029 4.348 4.320 -0.002 0.000 0.234 394 A C -0.148 177.472 177.584 0.060 0.000 1.055 394 A CA 0.362 52.478 52.037 0.132 0.000 0.756 394 A CB 0.135 19.177 19.000 0.069 0.000 0.986 394 A HN 0.119 nan 8.150 nan 0.000 0.505 395 D N 0.365 120.811 120.400 0.076 0.000 2.313 395 D HA 0.338 4.977 4.640 -0.002 0.000 0.247 395 D C 0.144 176.451 176.300 0.012 0.000 1.094 395 D CA 0.191 54.178 54.000 -0.022 0.000 0.925 395 D CB 0.835 41.627 40.800 -0.015 0.000 1.188 395 D HN 0.513 nan 8.370 nan 0.000 0.430 396 R N 1.735 122.225 120.500 -0.015 0.000 2.360 396 R HA 0.461 4.799 4.340 -0.002 0.000 0.318 396 R C -0.783 175.513 176.300 -0.007 0.000 0.950 396 R CA -0.560 55.549 56.100 0.014 0.000 0.837 396 R CB 0.586 30.899 30.300 0.022 0.000 1.165 396 R HN 0.380 nan 8.270 nan 0.000 0.458 397 I N 3.346 123.926 120.570 0.018 0.000 2.354 397 I HA 0.239 4.407 4.170 -0.002 0.000 0.292 397 I C -0.002 176.065 176.117 -0.082 0.000 0.989 397 I CA -0.575 60.688 61.300 -0.062 0.000 1.188 397 I CB 2.159 40.166 38.000 0.012 0.000 1.342 397 I HN 0.476 nan 8.210 nan 0.000 0.457 398 T N 4.724 119.159 114.554 -0.197 0.000 2.806 398 T HA 0.377 4.726 4.350 -0.002 0.000 0.290 398 T C -0.938 173.553 174.700 -0.348 0.000 0.966 398 T CA -0.247 61.782 62.100 -0.118 0.000 1.060 398 T CB 0.539 69.383 68.868 -0.040 0.000 0.927 398 T HN 0.327 nan 8.240 nan 0.000 0.485 399 W N 2.051 123.182 121.300 -0.282 0.000 2.781 399 W HA 0.639 5.298 4.660 -0.002 0.000 0.345 399 W C -0.927 175.420 176.519 -0.286 0.000 1.085 399 W CA -0.952 56.153 57.345 -0.400 0.000 1.198 399 W CB 1.176 30.113 29.460 -0.872 0.000 1.423 399 W HN 0.184 nan 8.180 nan 0.000 0.532 400 L N 2.688 123.761 121.223 -0.249 0.000 2.329 400 L HA 0.453 4.791 4.340 -0.002 0.000 0.279 400 L C -1.328 175.248 176.870 -0.490 0.000 1.014 400 L CA -1.105 53.417 54.840 -0.529 0.000 0.814 400 L CB 1.244 42.571 42.059 -1.219 0.000 1.257 400 L HN 0.557 nan 8.230 nan 0.000 0.424 401 Y N 2.871 122.996 120.300 -0.291 0.000 2.361 401 Y HA 0.326 4.875 4.550 -0.002 0.000 0.328 401 Y C -0.833 175.035 175.900 -0.054 0.000 1.044 401 Y CA -0.839 57.191 58.100 -0.117 0.000 1.085 401 Y CB 1.479 39.975 38.460 0.060 0.000 1.194 401 Y HN 0.542 nan 8.280 nan 0.000 0.438 402 D N 5.345 125.421 120.400 -0.539 0.000 2.427 402 D HA 0.135 4.774 4.640 -0.002 0.000 0.226 402 D C 0.572 176.543 176.300 -0.549 0.000 1.076 402 D CA 0.093 53.919 54.000 -0.290 0.000 0.849 402 D CB 0.815 41.617 40.800 0.004 0.000 1.052 402 D HN 0.976 nan 8.370 nan 0.000 0.515 403 N N 2.129 120.685 118.700 -0.240 0.000 2.094 403 N HA -0.249 4.490 4.740 -0.002 0.000 0.191 403 N C 1.640 177.119 175.510 -0.050 0.000 1.023 403 N CA 1.933 54.973 53.050 -0.016 0.000 0.857 403 N CB 0.301 38.884 38.487 0.160 0.000 1.013 403 N HN 0.513 nan 8.380 nan 0.000 0.426 404 T N -1.965 112.568 114.554 -0.035 0.000 2.665 404 T HA -0.198 4.151 4.350 -0.002 0.000 0.268 404 T C 1.948 176.634 174.700 -0.024 0.000 1.035 404 T CA 2.206 64.298 62.100 -0.013 0.000 1.151 404 T CB -1.084 67.785 68.868 0.002 0.000 0.862 404 T HN 0.408 nan 8.240 nan 0.000 0.438 405 T N -2.807 111.716 114.554 -0.052 0.000 3.060 405 T HA 0.495 4.844 4.350 -0.002 0.000 0.249 405 T C 1.945 176.613 174.700 -0.053 0.000 1.079 405 T CA 0.679 62.759 62.100 -0.033 0.000 1.013 405 T CB -0.283 68.581 68.868 -0.005 0.000 0.975 405 T HN 1.072 nan 8.240 nan 0.000 0.518 406 G N 1.730 110.442 108.800 -0.146 0.000 2.189 406 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.267 406 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.267 406 G C 0.011 174.849 174.900 -0.104 0.000 0.975 406 G CA 0.601 45.635 45.100 -0.110 0.000 0.644 406 G HN 0.856 nan 8.290 nan 0.000 0.537 407 K N 0.880 121.221 120.400 -0.099 0.000 2.218 407 K HA 0.477 4.795 4.320 -0.002 0.000 0.276 407 K C 0.410 177.132 176.600 0.203 0.000 1.022 407 K CA -0.191 56.172 56.287 0.125 0.000 0.946 407 K CB 0.336 32.965 32.500 0.216 0.000 1.000 407 K HN 0.558 nan 8.250 nan 0.000 0.468 408 Q N 3.703 123.762 119.800 0.432 0.000 2.397 408 Q HA 0.521 4.860 4.340 -0.002 0.000 0.275 408 Q C -1.834 174.618 176.000 0.754 0.000 1.090 408 Q CA -1.040 55.063 55.803 0.501 0.000 0.809 408 Q CB 1.420 30.491 28.738 0.555 0.000 1.362 408 Q HN 0.692 nan 8.270 nan 0.000 0.431 409 W N 0.566 122.189 121.300 0.539 0.000 3.439 409 W HA 0.524 5.183 4.660 -0.002 0.000 0.323 409 W C -1.386 175.154 176.519 0.034 0.000 1.174 409 W CA -1.045 56.517 57.345 0.362 0.000 1.224 409 W CB 1.043 30.595 29.460 0.154 0.000 1.348 409 W HN 0.495 nan 8.180 nan 0.000 0.498 410 K N 2.486 122.644 120.400 -0.404 0.000 2.511 410 K HA -0.129 4.190 4.320 -0.002 0.000 0.280 410 K C 0.514 176.885 176.600 -0.381 0.000 1.008 410 K CA 0.657 56.341 56.287 -1.006 0.000 1.050 410 K CB 0.685 32.680 32.500 -0.842 0.000 0.889 410 K HN 0.696 nan 8.250 nan 0.000 0.484 411 N N 0.779 119.225 118.700 -0.423 0.000 2.511 411 N HA -0.055 4.684 4.740 -0.002 0.000 0.190 411 N C -0.742 174.670 175.510 -0.163 0.000 1.037 411 N CA 0.641 53.585 53.050 -0.177 0.000 0.895 411 N CB 0.615 39.011 38.487 -0.151 0.000 1.149 411 N HN 0.558 nan 8.380 nan 0.000 0.437 412 S N -1.486 114.081 115.700 -0.222 0.000 2.595 412 S HA 0.560 5.029 4.470 -0.002 0.000 0.270 412 S C -1.529 172.969 174.600 -0.169 0.000 1.145 412 S CA -0.986 57.120 58.200 -0.157 0.000 0.825 412 S CB 1.429 64.571 63.200 -0.097 0.000 1.107 412 S HN -0.104 nan 8.310 nan 0.000 0.461 413 V N 2.028 121.868 119.914 -0.125 0.000 2.656 413 V HA 0.668 4.787 4.120 -0.002 0.000 0.307 413 V C -0.845 175.193 176.094 -0.094 0.000 1.051 413 V CA -0.649 61.584 62.300 -0.111 0.000 0.893 413 V CB 1.839 33.599 31.823 -0.106 0.000 0.999 413 V HN 0.945 nan 8.190 nan 0.000 0.426 414 N N 1.995 120.638 118.700 -0.093 0.000 2.531 414 N HA 0.256 4.995 4.740 -0.002 0.000 0.268 414 N C 0.229 175.634 175.510 -0.175 0.000 1.023 414 N CA -0.250 52.741 53.050 -0.098 0.000 0.896 414 N CB 2.112 40.570 38.487 -0.048 0.000 1.233 414 N HN 0.549 nan 8.380 nan 0.000 0.512 415 S N 1.601 117.108 115.700 -0.322 0.000 2.650 415 S HA 0.092 4.561 4.470 -0.002 0.000 0.219 415 S C 0.275 174.338 174.600 -0.895 0.000 0.960 415 S CA 0.196 58.023 58.200 -0.622 0.000 0.925 415 S CB -0.075 62.641 63.200 -0.807 0.000 0.775 415 S HN 0.565 nan 8.310 nan 0.000 0.525 416 H N -1.232 117.786 119.070 -0.087 0.000 3.124 416 H HA 0.205 4.759 4.556 -0.002 0.000 0.250 416 H C 1.401 176.695 175.328 -0.057 0.000 1.184 416 H CA -0.010 55.991 56.048 -0.079 0.000 1.013 416 H CB -0.116 29.598 29.762 -0.079 0.000 1.891 416 H HN 0.235 nan 8.280 nan 0.000 0.687 417 T N 0.199 114.769 114.554 0.026 0.000 3.043 417 T HA 0.179 4.528 4.350 -0.002 0.000 0.263 417 T C 0.880 175.607 174.700 0.045 0.000 1.094 417 T CA 0.257 62.379 62.100 0.036 0.000 1.127 417 T CB -0.021 68.868 68.868 0.035 0.000 0.905 417 T HN 0.133 nan 8.240 nan 0.000 0.490 418 I N 0.940 121.528 120.570 0.030 0.000 2.428 418 I HA 0.481 4.650 4.170 -0.002 0.000 0.296 418 I C 0.942 177.075 176.117 0.026 0.000 0.985 418 I CA -0.188 61.137 61.300 0.041 0.000 1.260 418 I CB 1.467 39.483 38.000 0.027 0.000 1.389 418 I HN 0.316 nan 8.210 nan 0.000 0.484 419 G N 5.083 113.907 108.800 0.041 0.000 2.546 419 G HA2 -0.192 3.766 3.960 -0.002 0.000 0.285 419 G HA3 -0.192 3.766 3.960 -0.002 0.000 0.285 419 G C -0.379 174.512 174.900 -0.014 0.000 1.105 419 G CA -0.596 44.512 45.100 0.013 0.000 1.189 419 G HN 0.644 nan 8.290 nan 0.000 0.534 420 R N -0.615 119.897 120.500 0.020 0.000 2.750 420 R HA 0.539 4.878 4.340 -0.002 0.000 0.281 420 R C 0.335 176.655 176.300 0.034 0.000 0.972 420 R CA -1.233 54.798 56.100 -0.116 0.000 0.912 420 R CB 1.254 31.429 30.300 -0.208 0.000 1.187 420 R HN 0.490 nan 8.270 nan 0.000 0.464 421 Y N 0.511 120.822 120.300 0.017 0.000 3.054 421 Y HA -0.252 4.297 4.550 -0.002 0.000 0.210 421 Y C 0.197 176.140 175.900 0.073 0.000 1.212 421 Y CA -0.216 57.868 58.100 -0.027 0.000 1.118 421 Y CB -1.679 36.656 38.460 -0.209 0.000 1.292 421 Y HN 0.485 nan 8.280 nan 0.000 0.533 422 I N 1.213 121.833 120.570 0.083 0.000 2.664 422 I HA -0.007 4.161 4.170 -0.002 0.000 0.284 422 I C 0.540 176.613 176.117 -0.073 0.000 1.154 422 I CA 0.784 62.045 61.300 -0.065 0.000 1.402 422 I CB 0.328 38.195 38.000 -0.222 0.000 1.395 422 I HN 0.215 nan 8.210 nan 0.000 0.545 423 S N 4.050 119.684 115.700 -0.109 0.000 2.568 423 S HA 0.697 5.165 4.470 -0.002 0.000 0.293 423 S C -0.289 174.216 174.600 -0.158 0.000 1.089 423 S CA -0.711 57.364 58.200 -0.207 0.000 0.945 423 S CB 2.453 65.398 63.200 -0.425 0.000 1.077 423 S HN 0.683 nan 8.310 nan 0.000 0.485 424 T N 0.848 115.322 114.554 -0.133 0.000 2.894 424 T HA 0.402 4.751 4.350 -0.002 0.000 0.309 424 T C -1.317 173.503 174.700 0.200 0.000 1.208 424 T CA -0.764 61.367 62.100 0.053 0.000 1.016 424 T CB 1.225 70.062 68.868 -0.052 0.000 1.192 424 T HN 0.622 nan 8.240 nan 0.000 0.491 425 K N 2.384 122.994 120.400 0.350 0.000 2.448 425 K HA 0.518 4.837 4.320 -0.002 0.000 0.278 425 K C 0.360 177.068 176.600 0.180 0.000 1.009 425 K CA -0.283 56.206 56.287 0.336 0.000 0.995 425 K CB 0.355 32.991 32.500 0.226 0.000 0.917 425 K HN 0.691 nan 8.250 nan 0.000 0.481 426 A N 3.395 126.298 122.820 0.137 0.000 2.406 426 A HA 0.169 4.488 4.320 -0.002 0.000 0.243 426 A C -0.291 177.302 177.584 0.015 0.000 1.082 426 A CA -0.575 51.500 52.037 0.064 0.000 0.786 426 A CB 0.535 19.562 19.000 0.045 0.000 1.029 426 A HN 0.567 nan 8.150 nan 0.000 0.495 427 V N 1.788 121.678 119.914 -0.041 0.000 2.479 427 V HA 0.426 4.544 4.120 -0.002 0.000 0.281 427 V C 1.602 177.646 176.094 -0.082 0.000 1.031 427 V CA 1.602 63.820 62.300 -0.137 0.000 1.038 427 V CB -0.095 31.613 31.823 -0.192 0.000 0.981 427 V HN 1.889 nan 8.190 nan 0.000 0.478 428 G N 4.203 112.955 108.800 -0.079 0.000 2.234 428 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.260 428 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.260 428 G C 0.301 175.194 174.900 -0.011 0.000 0.987 428 G CA 0.596 45.671 45.100 -0.042 0.000 0.625 428 G HN 1.403 nan 8.290 nan 0.000 0.532 429 S N -1.556 114.145 115.700 0.002 0.000 2.720 429 S HA 0.682 5.150 4.470 -0.002 0.000 0.287 429 S C 0.326 174.948 174.600 0.037 0.000 1.168 429 S CA -0.040 58.170 58.200 0.016 0.000 0.832 429 S CB 1.469 64.678 63.200 0.016 0.000 1.166 429 S HN -0.001 nan 8.310 nan 0.000 0.493 430 N N 0.725 119.448 118.700 0.037 0.000 2.336 430 N HA 0.319 5.058 4.740 -0.002 0.000 0.189 430 N C 0.570 176.154 175.510 0.123 0.000 1.113 430 N CA 0.419 53.498 53.050 0.047 0.000 0.858 430 N CB -0.167 38.319 38.487 -0.000 0.000 0.970 430 N HN 0.817 nan 8.380 nan 0.000 0.471 431 A N 0.914 123.799 122.820 0.108 0.000 2.507 431 A HA 0.077 4.395 4.320 -0.002 0.000 0.235 431 A C 0.726 178.432 177.584 0.203 0.000 1.070 431 A CA -0.182 51.927 52.037 0.120 0.000 0.768 431 A CB 0.261 19.291 19.000 0.051 0.000 1.011 431 A HN 0.289 nan 8.150 nan 0.000 0.502 432 R N 2.016 122.578 120.500 0.103 0.000 2.221 432 R HA 0.449 4.788 4.340 -0.002 0.000 0.327 432 R C -0.448 175.723 176.300 -0.216 0.000 1.033 432 R CA -0.181 55.785 56.100 -0.222 0.000 0.887 432 R CB 0.368 30.333 30.300 -0.558 0.000 1.057 432 R HN 0.825 nan 8.270 nan 0.000 0.455 433 M N 4.836 124.316 119.600 -0.200 0.000 2.129 433 M HA 0.184 4.663 4.480 -0.002 0.000 0.348 433 M C -1.041 175.167 176.300 -0.153 0.000 1.116 433 M CA -0.461 54.771 55.300 -0.114 0.000 1.022 433 M CB 1.272 33.852 32.600 -0.032 0.000 1.599 433 M HN 0.571 nan 8.290 nan 0.000 0.449 434 D N 4.575 124.911 120.400 -0.106 0.000 2.249 434 D HA 0.261 4.899 4.640 -0.002 0.000 0.246 434 D C 0.251 176.535 176.300 -0.026 0.000 1.114 434 D CA -0.107 53.850 54.000 -0.072 0.000 0.854 434 D CB 1.448 42.230 40.800 -0.030 0.000 1.132 434 D HN 0.604 nan 8.370 nan 0.000 0.461 435 V N 1.217 121.124 119.914 -0.012 0.000 3.070 435 V HA 0.134 4.253 4.120 -0.002 0.000 0.345 435 V C 1.497 177.655 176.094 0.107 0.000 1.403 435 V CA -0.235 62.092 62.300 0.044 0.000 1.155 435 V CB -0.050 31.806 31.823 0.055 0.000 1.140 435 V HN 0.438 nan 8.190 nan 0.000 0.505 436 T N 2.153 116.738 114.554 0.052 0.000 2.699 436 T HA -0.217 4.132 4.350 -0.002 0.000 0.268 436 T C 1.526 176.270 174.700 0.073 0.000 1.036 436 T CA 2.441 64.573 62.100 0.052 0.000 1.147 436 T CB -0.447 68.413 68.868 -0.014 0.000 0.862 436 T HN 0.874 nan 8.240 nan 0.000 0.446 437 D N 0.942 121.360 120.400 0.030 0.000 2.378 437 D HA -0.090 4.549 4.640 -0.002 0.000 0.222 437 D C 1.655 177.930 176.300 -0.042 0.000 0.980 437 D CA 0.634 54.626 54.000 -0.014 0.000 0.907 437 D CB -0.108 40.683 40.800 -0.015 0.000 0.899 437 D HN 0.194 nan 8.370 nan 0.000 0.527 438 K N -0.541 119.879 120.400 0.033 0.000 2.323 438 K HA 0.019 4.338 4.320 -0.002 0.000 0.197 438 K C 1.372 177.923 176.600 -0.082 0.000 1.043 438 K CA 0.275 56.552 56.287 -0.018 0.000 0.997 438 K CB -0.171 32.344 32.500 0.025 0.000 0.807 438 K HN 0.275 nan 8.250 nan 0.000 0.497 439 Y N 1.481 121.761 120.300 -0.032 0.000 2.476 439 Y HA 0.013 4.562 4.550 -0.002 0.000 0.283 439 Y C 0.700 176.567 175.900 -0.054 0.000 1.109 439 Y CA 0.408 58.502 58.100 -0.011 0.000 1.246 439 Y CB 0.496 38.975 38.460 0.032 0.000 1.068 439 Y HN -0.046 nan 8.280 nan 0.000 0.552 440 K N -2.413 118.015 120.400 0.046 0.000 2.578 440 K HA 0.317 4.636 4.320 -0.002 0.000 0.287 440 K C -1.784 174.773 176.600 -0.072 0.000 1.010 440 K CA -0.962 55.325 56.287 0.001 0.000 0.889 440 K CB 0.846 33.377 32.500 0.053 0.000 1.514 440 K HN -0.191 nan 8.250 nan 0.000 0.424 441 Y N 0.678 121.018 120.300 0.067 0.000 2.300 441 Y HA 0.254 4.803 4.550 -0.002 0.000 0.328 441 Y C -1.927 173.979 175.900 0.010 0.000 1.270 441 Y CA -1.584 56.542 58.100 0.043 0.000 1.352 441 Y CB 0.406 38.898 38.460 0.052 0.000 1.286 441 Y HN 0.441 nan 8.280 nan 0.000 0.536 442 P HA -0.068 nan 4.420 nan 0.000 0.266 442 P C -1.009 176.268 177.300 -0.039 0.000 1.193 442 P CA -0.079 63.038 63.100 0.028 0.000 0.770 442 P CB 0.284 32.000 31.700 0.027 0.000 0.836 443 E N 1.591 121.684 120.200 -0.177 0.000 2.290 443 E HA 0.373 4.721 4.350 -0.002 0.000 0.277 443 E C 0.847 177.264 176.600 -0.304 0.000 1.035 443 E CA -0.312 55.822 56.400 -0.445 0.000 0.873 443 E CB -0.220 28.967 29.700 -0.856 0.000 1.029 443 E HN 0.695 nan 8.360 nan 0.000 0.419 444 G N 3.087 111.754 108.800 -0.223 0.000 2.307 444 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.210 444 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.210 444 G C 0.364 175.237 174.900 -0.044 0.000 1.005 444 G CA -0.010 45.029 45.100 -0.102 0.000 0.634 444 G HN 0.998 nan 8.290 nan 0.000 0.496 445 S N 0.689 116.369 115.700 -0.033 0.000 2.593 445 S HA 0.490 4.959 4.470 -0.002 0.000 0.269 445 S C 0.830 175.420 174.600 -0.017 0.000 1.334 445 S CA 0.484 58.674 58.200 -0.016 0.000 1.015 445 S CB 1.435 64.639 63.200 0.006 0.000 0.912 445 S HN 0.136 nan 8.310 nan 0.000 0.541 446 D N 1.135 121.514 120.400 -0.035 0.000 2.194 446 D HA -0.053 4.586 4.640 -0.002 0.000 0.204 446 D C 1.894 178.156 176.300 -0.064 0.000 0.964 446 D CA 1.010 54.990 54.000 -0.032 0.000 0.846 446 D CB -0.300 40.479 40.800 -0.036 0.000 0.962 446 D HN 0.600 nan 8.370 nan 0.000 0.490 447 Q N 0.958 120.662 119.800 -0.161 0.000 2.014 447 Q HA -0.225 4.114 4.340 -0.002 0.000 0.207 447 Q C 2.036 177.942 176.000 -0.156 0.000 0.993 447 Q CA 2.084 57.669 55.803 -0.362 0.000 0.850 447 Q CB -0.352 27.823 28.738 -0.938 0.000 0.916 447 Q HN 0.412 nan 8.270 nan 0.000 0.417 448 E N 0.049 120.263 120.200 0.023 0.000 2.204 448 E HA -0.218 4.131 4.350 -0.002 0.000 0.195 448 E C 1.813 178.543 176.600 0.216 0.000 0.990 448 E CA 1.297 57.826 56.400 0.215 0.000 0.821 448 E CB -0.133 29.698 29.700 0.218 0.000 0.750 448 E HN 0.086 nan 8.360 nan 0.000 0.477 449 R N 0.384 120.965 120.500 0.135 0.000 2.090 449 R HA 0.050 4.389 4.340 -0.002 0.000 0.228 449 R C 2.202 178.609 176.300 0.180 0.000 1.110 449 R CA 1.821 58.014 56.100 0.155 0.000 0.973 449 R CB -0.226 30.126 30.300 0.087 0.000 0.869 449 R HN 0.399 nan 8.270 nan 0.000 0.440 450 Q N -0.874 118.988 119.800 0.104 0.000 2.079 450 Q HA -0.091 4.247 4.340 -0.002 0.000 0.200 450 Q C 1.975 178.046 176.000 0.117 0.000 0.974 450 Q CA 1.696 57.544 55.803 0.077 0.000 0.840 450 Q CB 0.000 28.742 28.738 0.006 0.000 0.898 450 Q HN 0.139 nan 8.270 nan 0.000 0.430 451 V N 0.500 120.516 119.914 0.170 0.000 2.407 451 V HA -0.242 3.877 4.120 -0.002 0.000 0.248 451 V C 1.877 178.139 176.094 0.279 0.000 1.055 451 V CA 1.640 64.079 62.300 0.233 0.000 1.049 451 V CB -0.574 31.472 31.823 0.372 0.000 0.662 451 V HN 0.297 nan 8.190 nan 0.000 0.455 452 F N 0.816 120.902 119.950 0.226 0.000 2.075 452 F HA -0.196 4.329 4.527 -0.002 0.000 0.297 452 F C 2.664 178.524 175.800 0.100 0.000 1.113 452 F CA 1.856 60.000 58.000 0.240 0.000 1.218 452 F CB -0.328 38.790 39.000 0.195 0.000 0.984 452 F HN 0.083 nan 8.300 nan 0.000 0.472 453 Q N 0.715 120.618 119.800 0.172 0.000 2.077 453 Q HA -0.283 4.056 4.340 -0.002 0.000 0.206 453 Q C 2.314 178.266 176.000 -0.080 0.000 0.989 453 Q CA 2.027 57.853 55.803 0.037 0.000 0.853 453 Q CB -0.778 28.009 28.738 0.083 0.000 0.907 453 Q HN 0.500 nan 8.270 nan 0.000 0.418 454 K N 0.348 120.716 120.400 -0.052 0.000 2.001 454 K HA -0.198 4.121 4.320 -0.002 0.000 0.214 454 K C 2.062 178.538 176.600 -0.206 0.000 1.050 454 K CA 1.644 57.874 56.287 -0.095 0.000 0.934 454 K CB -0.200 32.270 32.500 -0.050 0.000 0.718 454 K HN 0.147 nan 8.250 nan 0.000 0.443 455 A N 1.685 124.302 122.820 -0.338 0.000 1.883 455 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 455 A C 2.131 179.444 177.584 -0.452 0.000 1.186 455 A CA 1.390 53.081 52.037 -0.576 0.000 0.624 455 A CB -0.738 17.525 19.000 -1.228 0.000 0.822 455 A HN 0.449 nan 8.150 nan 0.000 0.444 456 L N 0.057 121.009 121.223 -0.451 0.000 2.083 456 L HA -0.122 4.217 4.340 -0.002 0.000 0.209 456 L C 2.327 179.071 176.870 -0.210 0.000 1.083 456 L CA 2.336 56.961 54.840 -0.358 0.000 0.752 456 L CB -1.677 40.145 42.059 -0.394 0.000 0.899 456 L HN 0.411 nan 8.230 nan 0.000 0.433 457 G N -0.790 107.904 108.800 -0.177 0.000 2.509 457 G HA2 -0.214 3.744 3.960 -0.002 0.000 0.218 457 G HA3 -0.214 3.744 3.960 -0.002 0.000 0.218 457 G C 1.620 176.450 174.900 -0.117 0.000 1.124 457 G CA 0.255 45.285 45.100 -0.117 0.000 0.776 457 G HN 0.409 nan 8.290 nan 0.000 0.547 458 K N -0.428 119.880 120.400 -0.154 0.000 2.379 458 K HA 0.317 4.636 4.320 -0.002 0.000 0.194 458 K C 1.815 178.338 176.600 -0.128 0.000 1.031 458 K CA -0.255 55.950 56.287 -0.138 0.000 1.037 458 K CB 0.191 32.593 32.500 -0.163 0.000 0.824 458 K HN 0.257 nan 8.250 nan 0.000 0.516 459 L N 0.367 121.508 121.223 -0.137 0.000 1.972 459 L HA 0.003 4.341 4.340 -0.002 0.000 0.209 459 L C 0.678 177.501 176.870 -0.079 0.000 1.125 459 L CA 0.901 55.675 54.840 -0.110 0.000 0.784 459 L CB -0.159 41.830 42.059 -0.116 0.000 0.902 459 L HN -0.083 nan 8.230 nan 0.000 0.444 473 L N 1.267 122.511 121.223 0.035 0.000 2.446 473 L HA 0.623 4.962 4.340 -0.002 0.000 0.268 473 L C -0.664 176.220 176.870 0.024 0.000 0.975 473 L CA -0.512 54.343 54.840 0.025 0.000 0.848 473 L CB 1.352 43.422 42.059 0.018 0.000 1.225 473 L HN 0.370 nan 8.230 nan 0.000 0.410 474 E N 2.526 122.736 120.200 0.017 0.000 3.351 474 E HA 0.197 4.546 4.350 -0.002 0.000 0.220 474 E C -0.509 176.090 176.600 -0.001 0.000 1.150 474 E CA -0.615 55.791 56.400 0.009 0.000 1.359 474 E CB 0.056 29.756 29.700 0.001 0.000 1.365 474 E HN 0.558 nan 8.360 nan 0.000 0.434 475 T N 3.145 117.699 114.554 0.000 0.000 2.591 475 T HA -0.160 4.189 4.350 -0.002 0.000 0.245 475 T C 0.239 174.934 174.700 -0.009 0.000 1.031 475 T CA 0.809 62.906 62.100 -0.004 0.000 1.187 475 T CB -0.115 68.751 68.868 -0.005 0.000 1.014 475 T HN 0.486 nan 8.240 nan 0.000 0.488 476 E N 4.003 124.197 120.200 -0.010 0.000 2.166 476 E HA 0.180 4.529 4.350 -0.002 0.000 0.279 476 E C 0.719 177.312 176.600 -0.012 0.000 1.095 476 E CA -0.668 55.724 56.400 -0.013 0.000 0.888 476 E CB 0.643 30.335 29.700 -0.013 0.000 1.041 476 E HN 0.792 nan 8.360 nan 0.000 0.414 477 E N 4.019 124.212 120.200 -0.013 0.000 3.473 477 E HA -0.079 4.270 4.350 -0.002 0.000 0.309 477 E C 0.009 176.603 176.600 -0.010 0.000 1.502 477 E CA -0.564 55.829 56.400 -0.012 0.000 1.525 477 E CB 0.267 29.960 29.700 -0.012 0.000 1.183 477 E HN 0.694 nan 8.360 nan 0.000 0.757 478 Q N -0.411 119.384 119.800 -0.009 0.000 2.180 478 Q HA 0.259 4.598 4.340 -0.002 0.000 0.241 478 Q C -0.562 175.434 176.000 -0.007 0.000 0.970 478 Q CA -1.093 54.706 55.803 -0.007 0.000 0.919 478 Q CB 0.675 29.409 28.738 -0.007 0.000 1.222 478 Q HN 0.302 nan 8.270 nan 0.000 0.482 479 E N 1.278 121.474 120.200 -0.006 0.000 2.829 479 E HA -0.106 4.243 4.350 -0.002 0.000 0.264 479 E C -1.686 174.911 176.600 -0.004 0.000 0.922 479 E CA -0.730 55.667 56.400 -0.005 0.000 0.960 479 E CB -0.198 29.500 29.700 -0.003 0.000 0.918 479 E HN 0.517 nan 8.360 nan 0.000 0.497 480 P HA -0.266 nan 4.420 nan 0.000 0.219 480 P C 0.911 178.211 177.300 0.000 0.000 1.145 480 P CA 1.928 65.027 63.100 -0.002 0.000 0.813 480 P CB 0.201 31.900 31.700 -0.003 0.000 0.771 481 S N -3.239 112.461 115.700 0.000 0.000 1.799 481 S HA -0.241 4.228 4.470 -0.002 0.000 0.230 481 S C 0.248 174.850 174.600 0.004 0.000 0.932 481 S CA 1.371 59.572 58.200 0.001 0.000 1.516 481 S CB -1.752 61.448 63.200 0.001 0.000 1.962 481 S HN 0.053 nan 8.310 nan 0.000 0.542 482 I N 2.932 123.504 120.570 0.004 0.000 2.378 482 I HA 0.552 4.721 4.170 -0.002 0.000 0.291 482 I C -0.209 175.911 176.117 0.006 0.000 0.992 482 I CA -0.597 60.707 61.300 0.006 0.000 1.154 482 I CB 1.610 39.615 38.000 0.008 0.000 1.315 482 I HN 0.271 nan 8.210 nan 0.000 0.448 483 I N 5.169 125.744 120.570 0.008 0.000 2.412 483 I HA 0.680 4.849 4.170 -0.002 0.000 0.296 483 I C 0.574 176.698 176.117 0.012 0.000 0.987 483 I CA -0.389 60.915 61.300 0.007 0.000 1.180 483 I CB 1.259 39.263 38.000 0.008 0.000 1.340 483 I HN 0.629 nan 8.210 nan 0.000 0.455 484 G N 4.765 113.571 108.800 0.010 0.000 2.563 484 G HA2 0.706 4.665 3.960 -0.002 0.000 0.302 484 G HA3 0.706 4.665 3.960 -0.002 0.000 0.302 484 G C -1.330 173.580 174.900 0.017 0.000 1.301 484 G CA -0.552 44.558 45.100 0.017 0.000 0.965 484 G HN 0.543 nan 8.290 nan 0.000 0.480 485 K N 0.810 121.225 120.400 0.025 0.000 2.572 485 K HA 0.419 4.738 4.320 -0.002 0.000 0.263 485 K C -1.691 174.929 176.600 0.033 0.000 0.932 485 K CA -0.717 55.585 56.287 0.026 0.000 0.838 485 K CB 1.982 34.495 32.500 0.022 0.000 1.366 485 K HN 0.390 nan 8.250 nan 0.000 0.425 486 L N 3.666 124.909 121.223 0.034 0.000 2.307 486 L HA 0.538 4.877 4.340 -0.002 0.000 0.284 486 L C -0.389 176.496 176.870 0.026 0.000 1.023 486 L CA -0.619 54.242 54.840 0.036 0.000 0.810 486 L CB 1.581 43.667 42.059 0.044 0.000 1.231 486 L HN 0.469 nan 8.230 nan 0.000 0.423 487 K N 2.221 122.632 120.400 0.017 0.000 2.375 487 K HA 0.587 4.906 4.320 -0.002 0.000 0.249 487 K C -1.241 175.358 176.600 -0.002 0.000 0.942 487 K CA -0.889 55.404 56.287 0.009 0.000 0.806 487 K CB 2.989 35.493 32.500 0.008 0.000 1.227 487 K HN 0.183 nan 8.250 nan 0.000 0.430 488 V N 1.654 121.565 119.914 -0.004 0.000 2.607 488 V HA 0.386 4.505 4.120 -0.002 0.000 0.289 488 V C -0.167 175.919 176.094 -0.014 0.000 1.053 488 V CA -0.492 61.800 62.300 -0.012 0.000 0.996 488 V CB 1.314 33.132 31.823 -0.009 0.000 0.995 488 V HN 0.883 nan 8.190 nan 0.000 0.476 489 A N 3.918 126.726 122.820 -0.020 0.000 2.304 489 A HA 0.846 5.165 4.320 -0.002 0.000 0.314 489 A C 0.434 178.009 177.584 -0.015 0.000 1.187 489 A CA 0.194 52.220 52.037 -0.018 0.000 0.810 489 A CB 0.576 19.563 19.000 -0.022 0.000 1.183 489 A HN 1.986 nan 8.150 nan 0.000 0.487 490 G N 1.626 110.419 108.800 -0.011 0.000 2.828 490 G HA2 0.092 4.050 3.960 -0.002 0.000 0.463 490 G HA3 0.092 4.050 3.960 -0.002 0.000 0.463 490 G C 0.142 175.038 174.900 -0.007 0.000 1.394 490 G CA -0.080 45.015 45.100 -0.008 0.000 0.862 490 G HN 2.198 nan 8.290 nan 0.000 0.540 491 M N -0.893 118.705 119.600 -0.004 0.000 2.228 491 M HA 0.763 5.242 4.480 -0.002 0.000 0.326 491 M C -0.164 176.140 176.300 0.005 0.000 1.122 491 M CA -0.128 55.170 55.300 -0.002 0.000 1.161 491 M CB 0.781 33.379 32.600 -0.004 0.000 1.437 491 M HN 0.454 nan 8.290 nan 0.000 0.465 492 L N 2.865 124.092 121.223 0.007 0.000 2.325 492 L HA 0.873 5.212 4.340 -0.002 0.000 0.281 492 L C -0.610 176.278 176.870 0.029 0.000 1.004 492 L CA -0.575 54.272 54.840 0.011 0.000 0.823 492 L CB 1.650 43.706 42.059 -0.005 0.000 1.236 492 L HN 1.014 nan 8.230 nan 0.000 0.415 493 A N 2.883 125.738 122.820 0.060 0.000 2.547 493 A HA 0.643 4.961 4.320 -0.002 0.000 0.297 493 A C -0.861 176.836 177.584 0.188 0.000 1.056 493 A CA -0.551 51.543 52.037 0.096 0.000 0.688 493 A CB 1.673 20.714 19.000 0.068 0.000 1.282 493 A HN 0.284 nan 8.150 nan 0.000 0.400 494 V N 2.178 122.252 119.914 0.267 0.000 2.458 494 V HA 0.437 4.555 4.120 -0.002 0.000 0.287 494 V C 1.451 177.817 176.094 0.453 0.000 1.009 494 V CA 2.014 64.596 62.300 0.470 0.000 1.091 494 V CB -0.128 32.063 31.823 0.612 0.000 0.960 494 V HN 2.125 nan 8.190 nan 0.000 0.476 495 G N 4.667 113.700 108.800 0.387 0.000 2.617 495 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.197 495 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.197 495 G C 0.213 175.091 174.900 -0.037 0.000 1.017 495 G CA -0.377 44.635 45.100 -0.147 0.000 0.713 495 G HN 0.561 nan 8.290 nan 0.000 0.481 496 K N 1.520 122.022 120.400 0.170 0.000 2.090 496 K HA 0.528 4.846 4.320 -0.002 0.000 0.249 496 K C 0.369 177.137 176.600 0.280 0.000 0.995 496 K CA -0.372 56.005 56.287 0.151 0.000 0.914 496 K CB 1.339 33.899 32.500 0.100 0.000 1.057 496 K HN 0.581 nan 8.250 nan 0.000 0.462 497 E N 0.268 120.585 120.200 0.196 0.000 2.373 497 E HA 0.169 4.518 4.350 -0.002 0.000 0.263 497 E C -0.789 175.911 176.600 0.167 0.000 1.073 497 E CA -0.767 55.769 56.400 0.227 0.000 0.894 497 E CB 0.872 30.644 29.700 0.121 0.000 1.008 497 E HN 0.051 nan 8.360 nan 0.000 0.420 498 V N 2.896 122.901 119.914 0.151 0.000 2.465 498 V HA 0.211 4.330 4.120 -0.002 0.000 0.279 498 V C -0.285 175.781 176.094 -0.046 0.000 1.045 498 V CA -0.676 61.635 62.300 0.017 0.000 0.938 498 V CB 0.935 32.727 31.823 -0.050 0.000 0.986 498 V HN 0.672 nan 8.190 nan 0.000 0.467 499 N N 5.538 124.206 118.700 -0.053 0.000 2.399 499 N HA 0.672 5.411 4.740 -0.002 0.000 0.284 499 N C -1.159 174.303 175.510 -0.079 0.000 1.025 499 N CA -0.356 52.648 53.050 -0.076 0.000 0.885 499 N CB 2.543 41.004 38.487 -0.043 0.000 1.339 499 N HN 0.467 nan 8.380 nan 0.000 0.487 500 L N 0.681 121.838 121.223 -0.111 0.000 2.303 500 L HA 0.743 5.082 4.340 -0.002 0.000 0.256 500 L C -0.622 176.208 176.870 -0.067 0.000 1.034 500 L CA -1.134 53.658 54.840 -0.080 0.000 0.832 500 L CB 2.259 44.264 42.059 -0.090 0.000 1.403 500 L HN 0.023 nan 8.230 nan 0.000 0.419 501 V N 1.770 121.668 119.914 -0.027 0.000 2.668 501 V HA 0.321 4.439 4.120 -0.002 0.000 0.304 501 V C -0.924 175.191 176.094 0.034 0.000 1.071 501 V CA -0.434 61.863 62.300 -0.004 0.000 0.894 501 V CB 2.256 34.076 31.823 -0.004 0.000 1.008 501 V HN 0.451 nan 8.190 nan 0.000 0.425 502 L N 6.350 127.620 121.223 0.079 0.000 2.260 502 L HA 0.541 4.879 4.340 -0.002 0.000 0.289 502 L C -0.601 176.321 176.870 0.086 0.000 1.057 502 L CA 0.326 55.227 54.840 0.101 0.000 0.811 502 L CB 0.582 42.742 42.059 0.167 0.000 1.184 502 L HN 0.554 nan 8.230 nan 0.000 0.429 503 L N 6.940 128.197 121.223 0.058 0.000 2.257 503 L HA 0.458 4.797 4.340 -0.002 0.000 0.290 503 L C -0.602 176.293 176.870 0.042 0.000 1.044 503 L CA -0.361 54.507 54.840 0.047 0.000 0.810 503 L CB 0.991 43.070 42.059 0.032 0.000 1.193 503 L HN 0.554 nan 8.230 nan 0.000 0.425 504 L N 4.273 125.522 121.223 0.044 0.000 2.346 504 L HA 0.619 4.957 4.340 -0.002 0.000 0.274 504 L C -0.425 176.461 176.870 0.027 0.000 1.007 504 L CA -0.691 54.169 54.840 0.034 0.000 0.818 504 L CB 2.366 44.447 42.059 0.037 0.000 1.284 504 L HN 0.515 nan 8.230 nan 0.000 0.424 505 K N 2.235 122.647 120.400 0.020 0.000 2.535 505 K HA 0.238 4.556 4.320 -0.002 0.000 0.250 505 K C -1.200 175.408 176.600 0.013 0.000 0.948 505 K CA -0.545 55.752 56.287 0.016 0.000 0.796 505 K CB 1.919 34.428 32.500 0.015 0.000 1.216 505 K HN 0.652 nan 8.250 nan 0.000 0.432 506 N N 5.539 124.246 118.700 0.012 0.000 2.401 506 N HA 0.110 4.848 4.740 -0.002 0.000 0.255 506 N C 0.428 175.943 175.510 0.007 0.000 1.110 506 N CA -0.208 52.847 53.050 0.009 0.000 0.949 506 N CB 0.586 39.078 38.487 0.009 0.000 1.110 506 N HN 0.550 nan 8.380 nan 0.000 0.490 507 L N 2.301 123.527 121.223 0.006 0.000 2.529 507 L HA 0.024 4.363 4.340 -0.002 0.000 0.223 507 L C 1.770 178.642 176.870 0.003 0.000 1.113 507 L CA -0.096 54.746 54.840 0.004 0.000 0.861 507 L CB -0.307 41.754 42.059 0.004 0.000 1.012 507 L HN 0.574 nan 8.230 nan 0.000 0.461 508 S N 1.687 117.389 115.700 0.003 0.000 2.071 508 S HA 0.081 4.550 4.470 -0.002 0.000 0.187 508 S C 0.856 175.457 174.600 0.002 0.000 1.376 508 S CA -0.132 58.069 58.200 0.002 0.000 1.398 508 S CB 0.160 63.361 63.200 0.001 0.000 0.641 508 S HN 0.492 nan 8.310 nan 0.000 0.392 509 R N -0.722 119.779 120.500 0.002 0.000 2.429 509 R HA 0.340 4.679 4.340 -0.002 0.000 0.189 509 R C -1.797 174.504 176.300 0.002 0.000 1.106 509 R CA -0.297 55.804 56.100 0.002 0.000 1.138 509 R CB -0.889 29.412 30.300 0.002 0.000 1.323 509 R HN 0.386 nan 8.270 nan 0.000 0.756 510 D N 0.792 121.193 120.400 0.002 0.000 2.516 510 D HA 0.068 4.707 4.640 -0.002 0.000 0.241 510 D C -0.738 175.564 176.300 0.002 0.000 1.246 510 D CA 0.423 54.424 54.000 0.001 0.000 0.808 510 D CB 1.277 42.077 40.800 0.000 0.000 1.147 510 D HN 0.266 nan 8.370 nan 0.000 0.527 511 T N 1.982 116.538 114.554 0.003 0.000 0.915 511 T HA -0.134 4.215 4.350 -0.002 0.000 0.734 511 T C -0.433 174.270 174.700 0.004 0.000 0.985 511 T CA 0.492 62.595 62.100 0.005 0.000 3.878 511 T CB -0.129 68.742 68.868 0.005 0.000 2.195 511 T HN -0.054 nan 8.240 nan 0.000 0.387 512 K N 2.156 122.558 120.400 0.005 0.000 2.281 512 K HA 0.704 5.023 4.320 -0.002 0.000 0.242 512 K C 0.159 176.762 176.600 0.005 0.000 0.971 512 K CA -0.755 55.534 56.287 0.004 0.000 0.834 512 K CB 1.909 34.411 32.500 0.003 0.000 1.181 512 K HN 0.523 nan 8.250 nan 0.000 0.435 513 T N 0.937 115.493 114.554 0.004 0.000 2.771 513 T HA 0.410 4.759 4.350 -0.002 0.000 0.281 513 T C -0.261 174.440 174.700 0.003 0.000 0.982 513 T CA -0.624 61.479 62.100 0.004 0.000 0.978 513 T CB 1.024 69.893 68.868 0.002 0.000 0.930 513 T HN 0.142 nan 8.240 nan 0.000 0.447 514 V N 3.511 123.427 119.914 0.002 0.000 2.448 514 V HA 0.438 4.557 4.120 -0.002 0.000 0.295 514 V C 0.311 176.401 176.094 -0.006 0.000 1.025 514 V CA -0.856 61.445 62.300 0.001 0.000 0.859 514 V CB 1.900 33.725 31.823 0.002 0.000 0.988 514 V HN 0.925 nan 8.190 nan 0.000 0.431 515 T N 4.475 119.026 114.554 -0.004 0.000 2.744 515 T HA 0.532 4.881 4.350 -0.002 0.000 0.291 515 T C -0.258 174.433 174.700 -0.014 0.000 0.957 515 T CA -0.249 61.845 62.100 -0.009 0.000 1.002 515 T CB 1.229 70.098 68.868 0.002 0.000 0.919 515 T HN 0.387 nan 8.240 nan 0.000 0.468 516 V N 5.325 125.216 119.914 -0.039 0.000 2.409 516 V HA 0.441 4.560 4.120 -0.002 0.000 0.291 516 V C -0.279 175.788 176.094 -0.045 0.000 1.020 516 V CA -1.015 61.258 62.300 -0.046 0.000 0.848 516 V CB 1.454 33.221 31.823 -0.093 0.000 0.990 516 V HN 0.775 nan 8.190 nan 0.000 0.430 517 N N 5.790 124.485 118.700 -0.008 0.000 2.443 517 N HA 0.698 5.437 4.740 -0.002 0.000 0.269 517 N C -0.905 174.627 175.510 0.037 0.000 0.985 517 N CA -0.339 52.711 53.050 0.000 0.000 0.921 517 N CB 2.210 40.707 38.487 0.018 0.000 1.195 517 N HN 0.575 nan 8.380 nan 0.000 0.492 518 M N 0.509 120.131 119.600 0.038 0.000 2.602 518 M HA 0.523 5.002 4.480 -0.002 0.000 0.312 518 M C 0.135 176.494 176.300 0.099 0.000 1.181 518 M CA -0.686 54.705 55.300 0.152 0.000 0.910 518 M CB 2.473 35.286 32.600 0.355 0.000 1.723 518 M HN 0.487 nan 8.290 nan 0.000 0.459 519 T N -1.134 113.604 114.554 0.308 0.000 2.843 519 T HA 0.923 5.272 4.350 -0.002 0.000 0.302 519 T C -1.592 173.452 174.700 0.573 0.000 1.232 519 T CA -0.945 61.364 62.100 0.348 0.000 1.009 519 T CB 1.960 71.061 68.868 0.389 0.000 1.254 519 T HN 0.912 nan 8.240 nan 0.000 0.504 520 A N 0.828 123.976 122.820 0.546 0.000 2.375 520 A HA 0.688 5.007 4.320 -0.002 0.000 0.295 520 A C -1.913 175.867 177.584 0.326 0.000 1.066 520 A CA -0.870 51.451 52.037 0.473 0.000 0.722 520 A CB 0.753 20.036 19.000 0.471 0.000 1.206 520 A HN 0.733 nan 8.150 nan 0.000 0.435 521 W N 1.692 123.101 121.300 0.181 0.000 2.683 521 W HA 0.513 5.171 4.660 -0.002 0.000 0.329 521 W C 0.507 177.106 176.519 0.134 0.000 1.037 521 W CA -0.120 57.309 57.345 0.138 0.000 1.232 521 W CB 2.095 31.613 29.460 0.097 0.000 1.390 521 W HN 0.774 nan 8.180 nan 0.000 0.465 522 T N 2.207 116.955 114.554 0.324 0.000 2.901 522 T HA 0.592 4.941 4.350 -0.002 0.000 0.301 522 T C -0.044 174.825 174.700 0.282 0.000 1.012 522 T CA -0.287 61.972 62.100 0.266 0.000 1.135 522 T CB 0.568 69.587 68.868 0.252 0.000 0.936 522 T HN 0.432 nan 8.240 nan 0.000 0.539 523 I N -0.639 120.063 120.570 0.220 0.000 3.322 523 I HA 0.705 4.874 4.170 -0.002 0.000 0.313 523 I C -1.123 175.088 176.117 0.156 0.000 1.129 523 I CA -1.896 59.509 61.300 0.175 0.000 0.963 523 I CB 1.809 39.891 38.000 0.136 0.000 1.273 523 I HN 0.366 nan 8.210 nan 0.000 0.473 524 I N 1.724 122.356 120.570 0.102 0.000 2.577 524 I HA 0.165 4.334 4.170 -0.002 0.000 0.305 524 I C 0.841 176.986 176.117 0.046 0.000 0.986 524 I CA -0.495 60.878 61.300 0.122 0.000 1.189 524 I CB 1.419 39.462 38.000 0.071 0.000 1.355 524 I HN 0.925 nan 8.210 nan 0.000 0.476 525 Y N 4.183 124.515 120.300 0.053 0.000 2.283 525 Y HA -0.300 4.249 4.550 -0.002 0.000 0.285 525 Y C 1.610 177.386 175.900 -0.206 0.000 1.176 525 Y CA 1.964 60.053 58.100 -0.019 0.000 1.229 525 Y CB -0.934 37.522 38.460 -0.007 0.000 0.975 525 Y HN 0.745 nan 8.280 nan 0.000 0.537 526 N N -0.546 117.489 118.700 -1.109 0.000 2.446 526 N HA 0.178 4.917 4.740 -0.002 0.000 0.179 526 N C 1.517 176.630 175.510 -0.663 0.000 1.054 526 N CA 0.607 52.784 53.050 -1.456 0.000 0.905 526 N CB 0.173 37.111 38.487 -2.583 0.000 0.973 526 N HN 0.497 nan 8.380 nan 0.000 0.448 527 G N -0.757 107.829 108.800 -0.356 0.000 2.205 527 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.180 527 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.180 527 G C -0.128 174.684 174.900 -0.146 0.000 1.004 527 G CA -0.062 44.940 45.100 -0.163 0.000 0.670 527 G HN 0.304 nan 8.290 nan 0.000 0.496 528 T N 2.772 117.219 114.554 -0.179 0.000 2.765 528 T HA 0.399 4.748 4.350 -0.002 0.000 0.284 528 T C 0.998 175.685 174.700 -0.022 0.000 0.946 528 T CA 0.196 62.234 62.100 -0.102 0.000 1.185 528 T CB 0.426 69.249 68.868 -0.076 0.000 0.887 528 T HN 0.331 nan 8.240 nan 0.000 0.532 529 L N 4.483 125.684 121.223 -0.036 0.000 2.410 529 L HA 0.134 4.473 4.340 -0.002 0.000 0.273 529 L C 1.374 178.359 176.870 0.192 0.000 1.144 529 L CA -0.411 54.454 54.840 0.042 0.000 0.863 529 L CB 0.497 42.426 42.059 -0.218 0.000 1.140 529 L HN 0.498 nan 8.230 nan 0.000 0.463 530 V N 1.798 121.907 119.914 0.325 0.000 2.599 530 V HA 0.147 4.266 4.120 -0.002 0.000 0.237 530 V C 0.240 176.542 176.094 0.346 0.000 1.081 530 V CA 0.564 63.038 62.300 0.291 0.000 1.107 530 V CB -0.012 31.961 31.823 0.250 0.000 0.808 530 V HN 0.773 nan 8.190 nan 0.000 0.486 531 H N -0.103 119.067 119.070 0.166 0.000 3.094 531 H HA 0.244 4.799 4.556 -0.002 0.000 0.335 531 H C -1.244 173.573 175.328 -0.850 0.000 1.254 531 H CA -0.579 55.236 56.048 -0.390 0.000 1.240 531 H CB 1.922 31.300 29.762 -0.641 0.000 1.936 531 H HN 0.383 nan 8.280 nan 0.000 0.536 532 E N 2.619 121.827 120.200 -1.654 0.000 2.344 532 E HA 0.237 4.586 4.350 -0.002 0.000 0.270 532 E C 0.226 176.590 176.600 -0.393 0.000 1.021 532 E CA -0.051 55.490 56.400 -1.431 0.000 0.887 532 E CB 0.773 29.658 29.700 -1.359 0.000 0.997 532 E HN 0.419 nan 8.360 nan 0.000 0.429 533 V N 1.829 121.652 119.914 -0.152 0.000 3.502 533 V HA 0.418 4.537 4.120 -0.002 0.000 0.288 533 V C -0.235 175.998 176.094 0.231 0.000 1.461 533 V CA -0.499 61.855 62.300 0.091 0.000 1.029 533 V CB -0.502 31.448 31.823 0.213 0.000 0.843 533 V HN 0.682 nan 8.190 nan 0.000 0.438 534 W N 1.812 123.088 121.300 -0.040 0.000 3.464 534 W HA 0.611 5.270 4.660 -0.002 0.000 0.292 534 W C -1.726 174.806 176.519 0.023 0.000 1.262 534 W CA -0.619 56.736 57.345 0.016 0.000 1.202 534 W CB 1.323 30.823 29.460 0.068 0.000 1.334 534 W HN 0.223 nan 8.180 nan 0.000 0.561 535 K N 3.536 123.321 120.400 -1.026 0.000 2.579 535 K HA 0.820 5.139 4.320 -0.002 0.000 0.284 535 K C -1.945 173.901 176.600 -1.257 0.000 0.990 535 K CA -0.857 54.856 56.287 -0.956 0.000 0.880 535 K CB 2.695 34.966 32.500 -0.382 0.000 1.488 535 K HN 0.360 nan 8.250 nan 0.000 0.425 536 D N -0.583 119.349 120.400 -0.781 0.000 2.913 536 D HA 0.352 4.991 4.640 -0.002 0.000 0.293 536 D C -2.007 174.176 176.300 -0.195 0.000 1.238 536 D CA 0.034 53.772 54.000 -0.436 0.000 0.738 536 D CB 1.750 42.330 40.800 -0.367 0.000 1.254 536 D HN 0.837 nan 8.370 nan 0.000 0.429 537 S N -0.144 115.496 115.700 -0.100 0.000 2.570 537 S HA 0.996 5.465 4.470 -0.002 0.000 0.270 537 S C -1.353 173.190 174.600 -0.096 0.000 1.149 537 S CA -0.340 57.807 58.200 -0.088 0.000 0.837 537 S CB 1.717 64.879 63.200 -0.062 0.000 1.124 537 S HN 1.132 nan 8.310 nan 0.000 0.465 538 A N 0.761 123.497 122.820 -0.139 0.000 2.594 538 A HA 0.836 5.154 4.320 -0.002 0.000 0.295 538 A C -0.871 176.662 177.584 -0.085 0.000 1.071 538 A CA -0.794 51.164 52.037 -0.131 0.000 0.685 538 A CB 1.646 20.466 19.000 -0.300 0.000 1.285 538 A HN 0.865 nan 8.150 nan 0.000 0.405 539 T N 2.435 116.964 114.554 -0.040 0.000 2.892 539 T HA 0.558 4.907 4.350 -0.002 0.000 0.311 539 T C -0.366 174.331 174.700 -0.005 0.000 1.033 539 T CA 0.008 62.095 62.100 -0.021 0.000 0.991 539 T CB 0.274 69.137 68.868 -0.009 0.000 0.981 539 T HN 0.567 nan 8.240 nan 0.000 0.457 540 M N 1.722 121.319 119.600 -0.004 0.000 2.578 540 M HA 0.576 5.054 4.480 -0.002 0.000 0.321 540 M C 0.221 176.527 176.300 0.011 0.000 1.182 540 M CA -0.834 54.473 55.300 0.012 0.000 0.965 540 M CB 2.111 34.723 32.600 0.020 0.000 1.694 540 M HN 0.419 nan 8.290 nan 0.000 0.461 541 S N 2.419 118.128 115.700 0.015 0.000 2.456 541 S HA 0.701 5.170 4.470 -0.002 0.000 0.316 541 S C -1.128 173.481 174.600 0.015 0.000 1.089 541 S CA -0.731 57.477 58.200 0.013 0.000 1.101 541 S CB 0.350 63.557 63.200 0.012 0.000 0.995 541 S HN 0.599 nan 8.310 nan 0.000 0.468 542 L N 4.322 125.553 121.223 0.013 0.000 2.322 542 L HA 0.559 4.898 4.340 -0.002 0.000 0.281 542 L C -0.236 176.640 176.870 0.011 0.000 1.014 542 L CA -0.986 53.862 54.840 0.014 0.000 0.815 542 L CB 1.659 43.727 42.059 0.015 0.000 1.247 542 L HN 0.545 nan 8.230 nan 0.000 0.421 543 D N 3.130 123.537 120.400 0.011 0.000 2.312 543 D HA 0.261 4.900 4.640 -0.002 0.000 0.248 543 D C -2.348 173.957 176.300 0.008 0.000 1.086 543 D CA -1.264 52.741 54.000 0.009 0.000 0.948 543 D CB 1.135 41.941 40.800 0.009 0.000 1.162 543 D HN 0.159 nan 8.370 nan 0.000 0.446 544 P HA -0.099 nan 4.420 nan 0.000 0.261 544 P C 0.433 177.737 177.300 0.007 0.000 1.165 544 P CA 0.981 64.084 63.100 0.006 0.000 0.759 544 P CB 0.371 32.074 31.700 0.004 0.000 0.772 545 E N 0.289 120.493 120.200 0.007 0.000 3.870 545 E HA -0.303 4.046 4.350 -0.002 0.000 0.329 545 E C 0.173 176.778 176.600 0.009 0.000 0.702 545 E CA 1.601 58.005 56.400 0.007 0.000 1.174 545 E CB -1.608 28.096 29.700 0.006 0.000 1.619 545 E HN 0.689 nan 8.360 nan 0.000 0.441 546 E N 0.687 120.893 120.200 0.010 0.000 2.415 546 E HA 0.087 4.435 4.350 -0.002 0.000 0.262 546 E C -0.315 176.294 176.600 0.015 0.000 1.038 546 E CA 0.294 56.702 56.400 0.013 0.000 0.921 546 E CB 0.455 30.163 29.700 0.014 0.000 0.950 546 E HN 0.237 nan 8.360 nan 0.000 0.438 547 E N 0.825 121.035 120.200 0.017 0.000 2.263 547 E HA 0.698 5.047 4.350 -0.002 0.000 0.264 547 E C -1.235 175.381 176.600 0.026 0.000 0.923 547 E CA -1.127 55.285 56.400 0.021 0.000 0.802 547 E CB 2.005 31.716 29.700 0.018 0.000 1.228 547 E HN 0.524 nan 8.360 nan 0.000 0.417 548 A N 1.712 124.553 122.820 0.034 0.000 2.604 548 A HA 0.495 4.814 4.320 -0.002 0.000 0.295 548 A C -1.674 175.945 177.584 0.057 0.000 1.067 548 A CA -0.884 51.180 52.037 0.045 0.000 0.683 548 A CB 1.563 20.591 19.000 0.048 0.000 1.281 548 A HN 0.705 nan 8.150 nan 0.000 0.407 549 E N 1.128 121.369 120.200 0.069 0.000 2.260 549 E HA 0.500 4.849 4.350 -0.002 0.000 0.266 549 E C -1.320 175.350 176.600 0.117 0.000 0.887 549 E CA -0.692 55.757 56.400 0.081 0.000 0.777 549 E CB 1.461 31.189 29.700 0.047 0.000 1.205 549 E HN 0.704 nan 8.360 nan 0.000 0.414 550 H N 4.174 123.272 119.070 0.046 0.000 2.527 550 H HA 0.341 4.896 4.556 -0.002 0.000 0.321 550 H C -2.263 173.101 175.328 0.060 0.000 1.087 550 H CA -1.794 54.292 56.048 0.064 0.000 1.337 550 H CB 1.384 31.198 29.762 0.088 0.000 1.440 550 H HN 0.390 nan 8.280 nan 0.000 0.490 551 P HA 0.223 nan 4.420 nan 0.000 0.288 551 P C -0.814 176.315 177.300 -0.285 0.000 1.267 551 P CA -0.272 62.675 63.100 -0.255 0.000 0.815 551 P CB 1.761 33.346 31.700 -0.190 0.000 0.989 552 I N 2.508 122.957 120.570 -0.202 0.000 2.436 552 I HA 0.419 4.587 4.170 -0.002 0.000 0.289 552 I C 0.266 176.151 176.117 -0.385 0.000 1.010 552 I CA -0.624 60.464 61.300 -0.352 0.000 1.098 552 I CB 2.258 39.981 38.000 -0.463 0.000 1.266 552 I HN 0.225 nan 8.210 nan 0.000 0.434 553 K N 7.779 127.928 120.400 -0.419 0.000 2.471 553 K HA 0.691 5.010 4.320 -0.002 0.000 0.252 553 K C -1.699 174.711 176.600 -0.316 0.000 0.938 553 K CA -0.510 55.620 56.287 -0.263 0.000 0.796 553 K CB 1.937 34.386 32.500 -0.085 0.000 1.161 553 K HN 0.580 nan 8.250 nan 0.000 0.425 554 I N 3.392 123.850 120.570 -0.187 0.000 2.447 554 I HA 0.162 4.331 4.170 -0.002 0.000 0.287 554 I C 0.101 176.307 176.117 0.149 0.000 1.023 554 I CA -0.824 60.464 61.300 -0.021 0.000 1.083 554 I CB 2.063 40.068 38.000 0.007 0.000 1.245 554 I HN 0.650 nan 8.210 nan 0.000 0.434 555 S N 4.580 120.352 115.700 0.120 0.000 2.632 555 S HA 0.168 4.637 4.470 -0.002 0.000 0.267 555 S C 0.971 175.511 174.600 -0.100 0.000 1.276 555 S CA -0.304 57.944 58.200 0.079 0.000 0.998 555 S CB 1.013 64.239 63.200 0.043 0.000 0.953 555 S HN 0.656 nan 8.310 nan 0.000 0.547 556 Y N 2.120 122.242 120.300 -0.298 0.000 2.151 556 Y HA -0.138 4.411 4.550 -0.002 0.000 0.284 556 Y C 2.456 177.936 175.900 -0.700 0.000 1.166 556 Y CA 2.004 59.640 58.100 -0.773 0.000 1.163 556 Y CB -1.114 37.165 38.460 -0.302 0.000 0.974 556 Y HN 0.839 nan 8.280 nan 0.000 0.511 557 A N 0.097 122.688 122.820 -0.381 0.000 1.978 557 A HA -0.254 4.065 4.320 -0.002 0.000 0.220 557 A C 2.120 179.505 177.584 -0.332 0.000 1.170 557 A CA 2.003 53.829 52.037 -0.351 0.000 0.636 557 A CB -0.658 18.268 19.000 -0.124 0.000 0.810 557 A HN 0.706 nan 8.150 nan 0.000 0.448 558 Q N -1.890 117.770 119.800 -0.233 0.000 2.137 558 Q HA -0.130 4.209 4.340 -0.002 0.000 0.198 558 Q C 1.946 177.942 176.000 -0.008 0.000 0.960 558 Q CA 1.738 57.505 55.803 -0.059 0.000 0.847 558 Q CB -0.227 28.563 28.738 0.086 0.000 0.915 558 Q HN 1.040 nan 8.270 nan 0.000 0.448 559 Y N 0.026 120.309 120.300 -0.029 0.000 2.479 559 Y HA 0.135 4.683 4.550 -0.002 0.000 0.283 559 Y C 1.874 177.708 175.900 -0.111 0.000 1.109 559 Y CA 0.554 58.656 58.100 0.003 0.000 1.239 559 Y CB -0.660 37.826 38.460 0.045 0.000 1.108 559 Y HN 0.031 nan 8.280 nan 0.000 0.548 560 E N 1.861 121.714 120.200 -0.578 0.000 2.136 560 E HA -0.320 4.029 4.350 -0.002 0.000 0.202 560 E C 2.163 178.559 176.600 -0.340 0.000 1.019 560 E CA 2.175 58.262 56.400 -0.522 0.000 0.819 560 E CB -0.560 28.325 29.700 -1.359 0.000 0.739 560 E HN 0.532 nan 8.360 nan 0.000 0.458 561 R N -0.964 119.273 120.500 -0.438 0.000 2.193 561 R HA -0.096 4.243 4.340 -0.002 0.000 0.229 561 R C 0.771 176.632 176.300 -0.731 0.000 1.110 561 R CA 1.387 57.118 56.100 -0.615 0.000 0.988 561 R CB -0.048 29.757 30.300 -0.825 0.000 0.871 561 R HN 0.424 nan 8.270 nan 0.000 0.458 562 Y N -1.000 119.239 120.300 -0.103 0.000 2.588 562 Y HA 0.203 4.752 4.550 -0.002 0.000 0.247 562 Y C -0.261 175.667 175.900 0.047 0.000 1.157 562 Y CA -0.842 57.226 58.100 -0.053 0.000 1.215 562 Y CB 0.665 39.063 38.460 -0.104 0.000 1.245 562 Y HN -0.041 nan 8.280 nan 0.000 0.534 563 L N 2.049 123.374 121.223 0.169 0.000 2.331 563 L HA 0.333 4.672 4.340 -0.002 0.000 0.278 563 L C -0.276 176.680 176.870 0.145 0.000 1.106 563 L CA -0.165 54.786 54.840 0.185 0.000 0.824 563 L CB 0.343 42.541 42.059 0.232 0.000 1.142 563 L HN -0.110 nan 8.230 nan 0.000 0.443 564 K N 1.745 122.244 120.400 0.164 0.000 2.210 564 K HA 0.341 4.660 4.320 -0.002 0.000 0.236 564 K C 1.258 177.972 176.600 0.190 0.000 1.016 564 K CA 0.221 56.610 56.287 0.171 0.000 0.913 564 K CB 1.271 33.887 32.500 0.193 0.000 1.141 564 K HN 0.690 nan 8.250 nan 0.000 0.462 565 S N -0.540 115.289 115.700 0.215 0.000 2.462 565 S HA -0.192 4.277 4.470 -0.002 0.000 0.243 565 S C 0.801 175.519 174.600 0.196 0.000 1.003 565 S CA 1.906 60.227 58.200 0.201 0.000 0.970 565 S CB -0.373 62.946 63.200 0.199 0.000 0.762 565 S HN 0.539 nan 8.310 nan 0.000 0.510 566 D N 1.922 122.457 120.400 0.225 0.000 2.264 566 D HA 0.027 4.665 4.640 -0.002 0.000 0.208 566 D C 0.293 176.698 176.300 0.176 0.000 0.966 566 D CA 0.663 54.797 54.000 0.223 0.000 0.864 566 D CB -0.373 40.594 40.800 0.278 0.000 0.933 566 D HN 0.294 nan 8.370 nan 0.000 0.499 567 N N -0.131 118.667 118.700 0.164 0.000 2.721 567 N HA -0.191 4.548 4.740 -0.002 0.000 0.249 567 N C -0.794 174.774 175.510 0.097 0.000 1.072 567 N CA 0.778 53.904 53.050 0.127 0.000 0.710 567 N CB -1.121 37.442 38.487 0.127 0.000 0.993 567 N HN 0.379 nan 8.380 nan 0.000 0.547 568 M N 0.252 119.927 119.600 0.125 0.000 2.528 568 M HA 0.583 5.062 4.480 -0.002 0.000 0.321 568 M C 0.040 176.411 176.300 0.117 0.000 1.153 568 M CA -0.490 54.883 55.300 0.123 0.000 0.951 568 M CB 2.056 34.758 32.600 0.170 0.000 1.705 568 M HN -0.055 nan 8.290 nan 0.000 0.451 569 I N 1.179 121.812 120.570 0.106 0.000 2.619 569 I HA 0.439 4.607 4.170 -0.002 0.000 0.292 569 I C -0.684 175.530 176.117 0.161 0.000 1.100 569 I CA -0.819 60.560 61.300 0.132 0.000 1.043 569 I CB 2.477 40.517 38.000 0.068 0.000 1.239 569 I HN 0.607 nan 8.210 nan 0.000 0.420 570 R N 5.288 125.922 120.500 0.223 0.000 2.207 570 R HA 0.598 4.937 4.340 -0.002 0.000 0.334 570 R C -1.419 175.039 176.300 0.263 0.000 1.013 570 R CA -0.279 55.956 56.100 0.225 0.000 0.858 570 R CB 0.539 30.974 30.300 0.225 0.000 1.094 570 R HN 0.453 nan 8.270 nan 0.000 0.457 571 I N 3.589 124.284 120.570 0.208 0.000 2.336 571 I HA 0.355 4.523 4.170 -0.002 0.000 0.292 571 I C -0.229 176.010 176.117 0.205 0.000 0.991 571 I CA 0.130 61.560 61.300 0.217 0.000 1.227 571 I CB 2.149 40.230 38.000 0.135 0.000 1.366 571 I HN 0.618 nan 8.210 nan 0.000 0.466 572 T N 4.822 119.521 114.554 0.241 0.000 2.900 572 T HA 0.872 5.221 4.350 -0.002 0.000 0.295 572 T C -0.871 173.911 174.700 0.137 0.000 1.044 572 T CA -0.811 61.376 62.100 0.146 0.000 0.995 572 T CB 1.935 70.903 68.868 0.165 0.000 1.072 572 T HN 0.618 nan 8.240 nan 0.000 0.473 573 A N 2.041 124.884 122.820 0.039 0.000 2.446 573 A HA 0.665 4.983 4.320 -0.002 0.000 0.282 573 A C -0.845 176.727 177.584 -0.019 0.000 1.102 573 A CA -0.583 51.486 52.037 0.053 0.000 0.737 573 A CB 0.943 19.993 19.000 0.084 0.000 1.212 573 A HN 0.659 nan 8.150 nan 0.000 0.434 574 V N 2.256 122.164 119.914 -0.011 0.000 2.364 574 V HA 0.294 4.412 4.120 -0.002 0.000 0.272 574 V C -0.095 176.001 176.094 0.005 0.000 1.036 574 V CA -0.356 61.931 62.300 -0.023 0.000 0.880 574 V CB 0.514 32.337 31.823 -0.000 0.000 0.991 574 V HN 0.949 nan 8.190 nan 0.000 0.460 575 C N 5.265 124.567 119.300 0.002 0.000 2.382 575 C HA 0.776 5.235 4.460 -0.002 0.000 0.327 575 C C 0.090 175.093 174.990 0.021 0.000 1.250 575 C CA -1.036 57.988 59.018 0.009 0.000 1.707 575 C CB 0.915 28.658 27.740 0.005 0.000 2.272 575 C HN 0.945 nan 8.230 nan 0.000 0.506 576 K N 1.631 122.044 120.400 0.022 0.000 2.498 576 K HA 0.769 5.087 4.320 -0.002 0.000 0.254 576 K C -1.888 174.722 176.600 0.017 0.000 0.933 576 K CA -0.371 55.933 56.287 0.029 0.000 0.806 576 K CB 1.790 34.319 32.500 0.048 0.000 1.301 576 K HN 0.506 nan 8.250 nan 0.000 0.432 577 V N 4.222 124.144 119.914 0.013 0.000 2.604 577 V HA 0.428 4.547 4.120 -0.002 0.000 0.305 577 V C -2.342 173.753 176.094 0.001 0.000 1.043 577 V CA -2.292 60.011 62.300 0.006 0.000 0.888 577 V CB 1.800 33.626 31.823 0.004 0.000 0.995 577 V HN 0.799 nan 8.190 nan 0.000 0.429 578 P HA 0.071 nan 4.420 nan 0.000 0.263 578 P C -0.379 176.912 177.300 -0.015 0.000 1.175 578 P CA 0.600 63.694 63.100 -0.010 0.000 0.761 578 P CB 0.123 31.817 31.700 -0.009 0.000 0.794 579 D N 0.719 121.104 120.400 -0.024 0.000 2.716 579 D HA -0.195 4.444 4.640 -0.002 0.000 0.239 579 D C -0.132 176.154 176.300 -0.024 0.000 1.125 579 D CA 1.433 55.416 54.000 -0.029 0.000 0.681 579 D CB -1.174 39.612 40.800 -0.023 0.000 1.070 579 D HN 0.580 nan 8.370 nan 0.000 0.432 580 E N -0.958 119.228 120.200 -0.023 0.000 2.478 580 E HA 0.237 4.585 4.350 -0.002 0.000 0.293 580 E C -0.881 175.721 176.600 0.002 0.000 1.011 580 E CA -0.504 55.889 56.400 -0.012 0.000 0.834 580 E CB 0.956 30.653 29.700 -0.004 0.000 1.226 580 E HN -0.049 nan 8.360 nan 0.000 0.419 581 S N 2.324 118.030 115.700 0.011 0.000 2.558 581 S HA -0.026 4.443 4.470 -0.002 0.000 0.287 581 S C -0.086 174.556 174.600 0.069 0.000 1.321 581 S CA 0.069 58.301 58.200 0.054 0.000 1.048 581 S CB 0.384 63.616 63.200 0.054 0.000 0.844 581 S HN 0.397 nan 8.310 nan 0.000 0.512 582 E N 0.716 120.993 120.200 0.128 0.000 2.422 582 E HA 0.220 4.569 4.350 -0.002 0.000 0.260 582 E C -0.674 175.952 176.600 0.043 0.000 1.108 582 E CA 0.058 56.516 56.400 0.096 0.000 0.943 582 E CB 0.408 30.193 29.700 0.142 0.000 0.961 582 E HN 0.276 nan 8.360 nan 0.000 0.443 583 V N 2.768 122.691 119.914 0.016 0.000 2.350 583 V HA 0.202 4.321 4.120 -0.002 0.000 0.285 583 V C -0.673 175.397 176.094 -0.039 0.000 1.014 583 V CA -0.788 61.506 62.300 -0.010 0.000 0.831 583 V CB 1.485 33.306 31.823 -0.004 0.000 1.000 583 V HN 0.373 nan 8.190 nan 0.000 0.433 584 V N 6.108 125.976 119.914 -0.078 0.000 2.432 584 V HA 0.406 4.525 4.120 -0.002 0.000 0.275 584 V C -0.000 176.019 176.094 -0.125 0.000 1.043 584 V CA -0.399 61.806 62.300 -0.157 0.000 0.925 584 V CB 1.653 33.316 31.823 -0.267 0.000 0.985 584 V HN 0.582 nan 8.190 nan 0.000 0.466 585 V N 5.999 125.847 119.914 -0.110 0.000 2.378 585 V HA 0.469 4.588 4.120 -0.002 0.000 0.288 585 V C -0.077 175.988 176.094 -0.050 0.000 1.016 585 V CA -0.586 61.684 62.300 -0.050 0.000 0.840 585 V CB 1.484 33.305 31.823 -0.004 0.000 0.994 585 V HN 1.027 nan 8.190 nan 0.000 0.431 586 E N 4.562 124.748 120.200 -0.023 0.000 2.238 586 E HA 0.881 5.230 4.350 -0.002 0.000 0.267 586 E C -0.870 175.772 176.600 0.071 0.000 0.887 586 E CA -1.332 55.086 56.400 0.030 0.000 0.769 586 E CB 3.079 32.809 29.700 0.051 0.000 1.187 586 E HN 0.426 nan 8.360 nan 0.000 0.416 587 R N 1.824 122.383 120.500 0.098 0.000 2.523 587 R HA 0.265 4.604 4.340 -0.002 0.000 0.278 587 R C -2.099 174.270 176.300 0.114 0.000 1.150 587 R CA -0.350 55.807 56.100 0.096 0.000 0.987 587 R CB 1.129 31.472 30.300 0.072 0.000 1.232 587 R HN 0.528 nan 8.270 nan 0.000 0.424 588 D N 4.778 125.252 120.400 0.123 0.000 2.225 588 D HA 0.366 5.005 4.640 -0.002 0.000 0.248 588 D C 0.200 176.566 176.300 0.110 0.000 1.096 588 D CA -0.091 53.989 54.000 0.133 0.000 0.863 588 D CB 0.997 41.891 40.800 0.158 0.000 1.156 588 D HN 0.544 nan 8.370 nan 0.000 0.450 589 I N -1.439 119.186 120.570 0.093 0.000 2.910 589 I HA 0.625 4.794 4.170 -0.002 0.000 0.310 589 I C -0.635 175.522 176.117 0.067 0.000 1.043 589 I CA -1.028 60.310 61.300 0.064 0.000 1.053 589 I CB 1.910 39.926 38.000 0.026 0.000 1.242 589 I HN 0.097 nan 8.210 nan 0.000 0.452 590 I N 3.546 124.146 120.570 0.051 0.000 2.466 590 I HA 0.335 4.503 4.170 -0.002 0.000 0.289 590 I C -1.241 174.892 176.117 0.027 0.000 1.026 590 I CA -0.664 60.669 61.300 0.055 0.000 1.078 590 I CB 2.072 40.115 38.000 0.072 0.000 1.249 590 I HN 0.367 nan 8.210 nan 0.000 0.429 591 L N 5.815 127.051 121.223 0.021 0.000 2.264 591 L HA 0.352 4.690 4.340 -0.002 0.000 0.289 591 L C 0.145 177.051 176.870 0.060 0.000 1.044 591 L CA -0.194 54.658 54.840 0.020 0.000 0.807 591 L CB 0.484 42.532 42.059 -0.018 0.000 1.192 591 L HN 0.427 nan 8.230 nan 0.000 0.425 592 D N 2.325 122.756 120.400 0.051 0.000 2.399 592 D HA 0.065 4.704 4.640 -0.002 0.000 0.241 592 D C 0.058 176.407 176.300 0.081 0.000 1.133 592 D CA 0.051 54.081 54.000 0.050 0.000 0.890 592 D CB 0.878 41.691 40.800 0.023 0.000 1.201 592 D HN 0.423 nan 8.370 nan 0.000 0.432 593 N N 1.334 120.077 118.700 0.072 0.000 2.381 593 N HA 0.252 4.990 4.740 -0.002 0.000 0.254 593 N C -2.243 173.259 175.510 -0.014 0.000 1.264 593 N CA -0.870 52.222 53.050 0.069 0.000 0.942 593 N CB 0.106 38.632 38.487 0.065 0.000 1.190 593 N HN 0.091 nan 8.380 nan 0.000 0.495 594 P HA 0.086 nan 4.420 nan 0.000 0.270 594 P C -0.320 176.969 177.300 -0.018 0.000 1.223 594 P CA 0.114 63.135 63.100 -0.132 0.000 0.785 594 P CB 0.273 31.799 31.700 -0.290 0.000 0.923 595 T N 1.892 116.407 114.554 -0.064 0.000 2.940 595 T HA 0.253 4.601 4.350 -0.002 0.000 0.309 595 T C -0.139 174.603 174.700 0.070 0.000 1.056 595 T CA 0.497 62.583 62.100 -0.023 0.000 1.137 595 T CB -0.126 68.702 68.868 -0.067 0.000 0.976 595 T HN 0.199 nan 8.240 nan 0.000 0.547 596 L N 3.321 124.579 121.223 0.059 0.000 2.441 596 L HA 0.626 4.964 4.340 -0.002 0.000 0.270 596 L C -0.354 176.519 176.870 0.005 0.000 0.973 596 L CA -0.144 54.733 54.840 0.063 0.000 0.842 596 L CB 2.146 44.217 42.059 0.020 0.000 1.239 596 L HN 0.695 nan 8.230 nan 0.000 0.406 597 T N 5.343 119.893 114.554 -0.007 0.000 2.893 597 T HA 0.738 5.087 4.350 -0.002 0.000 0.291 597 T C -1.129 173.565 174.700 -0.010 0.000 1.028 597 T CA -0.492 61.598 62.100 -0.016 0.000 0.995 597 T CB 0.909 69.760 68.868 -0.028 0.000 1.051 597 T HN 0.543 nan 8.240 nan 0.000 0.470 598 L N 3.541 124.761 121.223 -0.005 0.000 2.346 598 L HA 0.675 5.013 4.340 -0.002 0.000 0.276 598 L C -0.280 176.574 176.870 -0.026 0.000 1.006 598 L CA -0.890 53.953 54.840 0.005 0.000 0.817 598 L CB 1.850 43.933 42.059 0.040 0.000 1.272 598 L HN 0.603 nan 8.230 nan 0.000 0.421 599 E N 3.014 123.181 120.200 -0.055 0.000 2.241 599 E HA 0.333 4.682 4.350 -0.002 0.000 0.263 599 E C -1.155 175.384 176.600 -0.102 0.000 0.882 599 E CA -0.607 55.751 56.400 -0.069 0.000 0.769 599 E CB 2.996 32.656 29.700 -0.067 0.000 1.185 599 E HN 0.164 nan 8.360 nan 0.000 0.415 600 V N 3.448 123.313 119.914 -0.082 0.000 2.530 600 V HA 0.051 4.170 4.120 -0.002 0.000 0.282 600 V C 0.762 176.805 176.094 -0.084 0.000 1.048 600 V CA -0.407 61.837 62.300 -0.094 0.000 0.997 600 V CB 0.818 32.604 31.823 -0.062 0.000 0.987 600 V HN 0.541 nan 8.190 nan 0.000 0.477 601 L N 5.006 126.171 121.223 -0.097 0.000 2.783 601 L HA 0.442 4.781 4.340 -0.002 0.000 0.236 601 L C 0.433 177.268 176.870 -0.058 0.000 1.225 601 L CA 0.532 55.327 54.840 -0.077 0.000 1.026 601 L CB -1.930 40.077 42.059 -0.086 0.000 1.314 601 L HN 0.806 nan 8.230 nan 0.000 0.489 602 N N -0.922 117.747 118.700 -0.051 0.000 3.717 602 N HA -0.007 4.732 4.740 -0.002 0.000 0.239 602 N C -0.949 174.542 175.510 -0.032 0.000 1.388 602 N CA -0.510 52.517 53.050 -0.038 0.000 0.828 602 N CB 1.197 39.663 38.487 -0.036 0.000 1.468 602 N HN 0.083 nan 8.380 nan 0.000 0.445 603 E N 0.208 120.394 120.200 -0.024 0.000 2.418 603 E HA 0.416 4.765 4.350 -0.002 0.000 0.261 603 E C -0.670 175.920 176.600 -0.017 0.000 1.070 603 E CA -0.148 56.241 56.400 -0.018 0.000 0.931 603 E CB 0.507 30.199 29.700 -0.014 0.000 0.954 603 E HN 0.469 nan 8.360 nan 0.000 0.439 604 A N 5.066 127.879 122.820 -0.012 0.000 2.256 604 A HA 0.448 4.767 4.320 -0.002 0.000 0.317 604 A C -0.691 176.891 177.584 -0.003 0.000 1.318 604 A CA -0.553 51.479 52.037 -0.008 0.000 0.894 604 A CB 0.545 19.541 19.000 -0.007 0.000 1.165 604 A HN 0.582 nan 8.150 nan 0.000 0.525 605 R N 1.813 122.312 120.500 -0.002 0.000 2.744 605 R HA 0.501 4.840 4.340 -0.002 0.000 0.279 605 R C -0.960 175.343 176.300 0.005 0.000 0.977 605 R CA -0.982 55.119 56.100 0.001 0.000 0.906 605 R CB 2.060 32.361 30.300 0.000 0.000 1.197 605 R HN 0.444 nan 8.270 nan 0.000 0.463 606 V N 3.580 123.498 119.914 0.007 0.000 2.644 606 V HA -0.116 4.003 4.120 -0.002 0.000 0.305 606 V C 1.208 177.308 176.094 0.010 0.000 1.053 606 V CA 0.727 63.032 62.300 0.009 0.000 1.186 606 V CB -0.089 31.739 31.823 0.009 0.000 0.895 606 V HN 0.835 nan 8.190 nan 0.000 0.490 607 R N 0.570 121.078 120.500 0.013 0.000 4.000 607 R HA -0.157 4.182 4.340 -0.002 0.000 0.362 607 R C -0.191 176.116 176.300 0.011 0.000 1.183 607 R CA 0.877 56.985 56.100 0.014 0.000 1.011 607 R CB -0.800 29.508 30.300 0.013 0.000 1.501 607 R HN 0.589 nan 8.270 nan 0.000 0.553 608 K N 0.757 121.162 120.400 0.009 0.000 2.339 608 K HA 0.375 4.694 4.320 -0.002 0.000 0.264 608 K C -2.488 174.115 176.600 0.005 0.000 0.986 608 K CA -2.436 53.854 56.287 0.006 0.000 0.866 608 K CB 1.624 34.125 32.500 0.002 0.000 1.103 608 K HN -0.172 nan 8.250 nan 0.000 0.441 609 P HA 0.071 nan 4.420 nan 0.000 0.268 609 P C -0.631 176.664 177.300 -0.007 0.000 1.205 609 P CA -0.327 62.776 63.100 0.006 0.000 0.771 609 P CB 0.750 32.455 31.700 0.009 0.000 0.858 610 V N 3.383 123.288 119.914 -0.015 0.000 2.841 610 V HA 0.334 4.452 4.120 -0.002 0.000 0.310 610 V C -0.618 175.431 176.094 -0.074 0.000 1.090 610 V CA -0.921 61.355 62.300 -0.039 0.000 0.930 610 V CB 1.929 33.730 31.823 -0.038 0.000 1.014 610 V HN 0.510 nan 8.190 nan 0.000 0.425 611 N N 3.617 122.257 118.700 -0.099 0.000 2.529 611 N HA 0.542 5.281 4.740 -0.002 0.000 0.278 611 N C -1.108 174.248 175.510 -0.257 0.000 1.146 611 N CA -0.269 52.681 53.050 -0.167 0.000 0.980 611 N CB 1.489 39.900 38.487 -0.127 0.000 1.124 611 N HN 0.506 nan 8.380 nan 0.000 0.458 612 V N 2.204 121.824 119.914 -0.489 0.000 2.823 612 V HA 0.311 4.430 4.120 -0.002 0.000 0.312 612 V C -0.465 175.248 176.094 -0.635 0.000 1.072 612 V CA -0.735 61.198 62.300 -0.612 0.000 0.937 612 V CB 1.916 33.193 31.823 -0.911 0.000 1.013 612 V HN 0.677 nan 8.190 nan 0.000 0.430 613 Q N 2.916 122.506 119.800 -0.349 0.000 2.333 613 Q HA 0.561 4.900 4.340 -0.002 0.000 0.267 613 Q C -0.962 174.991 176.000 -0.079 0.000 1.012 613 Q CA -0.490 55.197 55.803 -0.193 0.000 0.824 613 Q CB 2.012 30.677 28.738 -0.121 0.000 1.290 613 Q HN 0.754 nan 8.270 nan 0.000 0.449 614 M N 5.753 125.360 119.600 0.012 0.000 2.088 614 M HA 0.391 4.869 4.480 -0.002 0.000 0.346 614 M C -1.912 174.382 176.300 -0.010 0.000 1.111 614 M CA -0.512 54.820 55.300 0.054 0.000 1.017 614 M CB 0.373 33.052 32.600 0.132 0.000 1.568 614 M HN 0.606 nan 8.290 nan 0.000 0.445 615 L N 6.616 127.823 121.223 -0.026 0.000 2.305 615 L HA 0.619 4.958 4.340 -0.002 0.000 0.284 615 L C -1.197 175.666 176.870 -0.012 0.000 1.013 615 L CA -0.543 54.277 54.840 -0.034 0.000 0.819 615 L CB 1.508 43.540 42.059 -0.045 0.000 1.227 615 L HN 0.676 nan 8.230 nan 0.000 0.417 616 F N 1.743 121.558 119.950 -0.225 0.000 2.608 616 F HA 0.594 5.119 4.527 -0.002 0.000 0.309 616 F C -0.879 174.806 175.800 -0.192 0.000 1.103 616 F CA -0.267 57.568 58.000 -0.276 0.000 0.954 616 F CB 2.279 40.961 39.000 -0.530 0.000 1.267 616 F HN 0.281 nan 8.300 nan 0.000 0.444 617 S N 3.775 118.772 115.700 -1.172 0.000 2.561 617 S HA 0.292 4.761 4.470 -0.002 0.000 0.303 617 S C -1.225 172.712 174.600 -1.104 0.000 1.110 617 S CA -0.714 56.993 58.200 -0.821 0.000 1.034 617 S CB 1.216 64.147 63.200 -0.449 0.000 1.010 617 S HN 0.638 nan 8.310 nan 0.000 0.482 618 N N 4.175 122.569 118.700 -0.509 0.000 2.405 618 N HA 0.224 4.963 4.740 -0.002 0.000 0.260 618 N C -1.502 173.942 175.510 -0.109 0.000 1.152 618 N CA -1.923 51.036 53.050 -0.151 0.000 0.948 618 N CB 0.988 39.569 38.487 0.156 0.000 1.111 618 N HN 0.251 nan 8.380 nan 0.000 0.485 619 P HA 0.011 nan 4.420 nan 0.000 0.245 619 P C 0.174 177.463 177.300 -0.019 0.000 1.206 619 P CA 0.401 63.464 63.100 -0.061 0.000 0.781 619 P CB 0.498 32.156 31.700 -0.069 0.000 0.994 620 L N 0.424 121.676 121.223 0.049 0.000 2.466 620 L HA 0.195 4.534 4.340 -0.002 0.000 0.257 620 L C 1.357 178.215 176.870 -0.020 0.000 1.189 620 L CA -0.241 54.583 54.840 -0.026 0.000 0.813 620 L CB 0.160 42.232 42.059 0.021 0.000 1.118 620 L HN -0.250 nan 8.230 nan 0.000 0.471 621 D N 0.095 120.472 120.400 -0.039 0.000 2.328 621 D HA 0.014 4.652 4.640 -0.002 0.000 0.226 621 D C 0.342 176.648 176.300 0.011 0.000 1.066 621 D CA 0.396 54.388 54.000 -0.012 0.000 0.861 621 D CB 0.365 41.157 40.800 -0.013 0.000 0.912 621 D HN 0.606 nan 8.370 nan 0.000 0.521 622 E N -0.007 120.208 120.200 0.025 0.000 2.392 622 E HA 0.542 4.891 4.350 -0.002 0.000 0.269 622 E C -3.050 173.585 176.600 0.057 0.000 0.924 622 E CA -2.279 54.143 56.400 0.036 0.000 0.784 622 E CB 1.957 31.679 29.700 0.037 0.000 1.292 622 E HN -0.290 nan 8.360 nan 0.000 0.447 623 P HA 0.102 nan 4.420 nan 0.000 0.273 623 P C -0.980 176.378 177.300 0.097 0.000 1.250 623 P CA -0.505 62.640 63.100 0.075 0.000 0.793 623 P CB 0.627 32.359 31.700 0.054 0.000 1.011 624 V N 1.906 121.901 119.914 0.134 0.000 2.443 624 V HA 0.368 4.487 4.120 -0.002 0.000 0.293 624 V C -0.048 176.111 176.094 0.109 0.000 1.021 624 V CA -0.393 62.002 62.300 0.158 0.000 0.848 624 V CB 1.006 33.021 31.823 0.320 0.000 0.998 624 V HN 0.474 nan 8.190 nan 0.000 0.424 625 R N 3.147 123.675 120.500 0.047 0.000 2.944 625 R HA 0.567 4.906 4.340 -0.002 0.000 0.233 625 R C -0.358 175.922 176.300 -0.034 0.000 1.346 625 R CA -0.869 55.239 56.100 0.015 0.000 1.082 625 R CB 0.534 30.837 30.300 0.004 0.000 1.434 625 R HN 0.653 nan 8.270 nan 0.000 0.510 626 D N 0.041 120.415 120.400 -0.042 0.000 2.686 626 D HA -0.158 4.480 4.640 -0.002 0.000 0.235 626 D C -0.707 175.506 176.300 -0.144 0.000 1.160 626 D CA 0.639 54.593 54.000 -0.076 0.000 0.645 626 D CB -1.505 39.251 40.800 -0.074 0.000 1.039 626 D HN 0.382 nan 8.370 nan 0.000 0.423 627 C N 0.635 119.848 119.300 -0.145 0.000 2.482 627 C HA 0.450 4.909 4.460 -0.002 0.000 0.378 627 C C 0.994 175.838 174.990 -0.243 0.000 1.284 627 C CA -0.774 58.063 59.018 -0.302 0.000 1.826 627 C CB 0.562 28.232 27.740 -0.117 0.000 2.473 627 C HN 0.166 nan 8.230 nan 0.000 0.562 628 V N 5.527 125.217 119.914 -0.372 0.000 2.531 628 V HA 0.452 4.570 4.120 -0.002 0.000 0.301 628 V C -0.277 175.711 176.094 -0.177 0.000 1.034 628 V CA -0.457 61.717 62.300 -0.210 0.000 0.865 628 V CB 1.747 33.457 31.823 -0.189 0.000 0.995 628 V HN 0.784 nan 8.190 nan 0.000 0.424 629 L N 5.828 127.031 121.223 -0.034 0.000 2.296 629 L HA 0.675 5.014 4.340 -0.002 0.000 0.286 629 L C -0.860 175.956 176.870 -0.090 0.000 1.023 629 L CA -0.386 54.472 54.840 0.029 0.000 0.812 629 L CB 1.529 43.640 42.059 0.087 0.000 1.223 629 L HN 0.679 nan 8.230 nan 0.000 0.421 630 M N 5.441 124.978 119.600 -0.105 0.000 2.253 630 M HA 0.510 4.989 4.480 -0.002 0.000 0.314 630 M C -1.144 175.060 176.300 -0.160 0.000 1.019 630 M CA -0.648 54.566 55.300 -0.144 0.000 0.932 630 M CB 2.219 34.737 32.600 -0.137 0.000 1.606 630 M HN 0.238 nan 8.290 nan 0.000 0.430 631 V N 2.401 122.187 119.914 -0.214 0.000 2.735 631 V HA 0.721 4.840 4.120 -0.002 0.000 0.310 631 V C -0.620 175.381 176.094 -0.156 0.000 1.061 631 V CA -0.607 61.565 62.300 -0.213 0.000 0.913 631 V CB 2.190 33.769 31.823 -0.407 0.000 1.005 631 V HN 0.964 nan 8.190 nan 0.000 0.428 632 E N 1.926 122.060 120.200 -0.110 0.000 2.429 632 E HA 0.795 5.143 4.350 -0.002 0.000 0.280 632 E C -0.667 175.894 176.600 -0.065 0.000 1.068 632 E CA -0.939 55.411 56.400 -0.084 0.000 0.837 632 E CB 2.298 31.937 29.700 -0.102 0.000 1.357 632 E HN 1.199 nan 8.360 nan 0.000 0.455 633 G N 0.661 109.433 108.800 -0.047 0.000 1.959 633 G HA2 0.276 4.235 3.960 -0.002 0.000 0.289 633 G HA3 0.276 4.235 3.960 -0.002 0.000 0.289 633 G C -0.944 173.955 174.900 -0.001 0.000 1.705 633 G CA -0.630 44.450 45.100 -0.032 0.000 0.913 633 G HN 0.398 nan 8.290 nan 0.000 0.686 634 S N 0.210 115.915 115.700 0.008 0.000 2.546 634 S HA 0.438 4.907 4.470 -0.002 0.000 0.290 634 S C 1.648 176.282 174.600 0.056 0.000 1.290 634 S CA 1.664 59.894 58.200 0.049 0.000 1.069 634 S CB 1.115 64.369 63.200 0.089 0.000 0.846 634 S HN 2.386 nan 8.310 nan 0.000 0.495 635 G N 1.906 110.741 108.800 0.058 0.000 2.176 635 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.253 635 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.253 635 G C 0.458 175.381 174.900 0.037 0.000 0.979 635 G CA 0.472 45.600 45.100 0.047 0.000 0.641 635 G HN 0.597 nan 8.290 nan 0.000 0.530 636 L N -1.404 119.842 121.223 0.037 0.000 2.624 636 L HA 0.575 4.914 4.340 -0.002 0.000 0.222 636 L C 0.921 177.818 176.870 0.046 0.000 1.046 636 L CA 0.283 55.146 54.840 0.040 0.000 0.872 636 L CB 0.372 42.456 42.059 0.042 0.000 1.190 636 L HN 0.133 nan 8.230 nan 0.000 0.487 637 L N 0.329 121.575 121.223 0.038 0.000 2.393 637 L HA 0.414 4.752 4.340 -0.002 0.000 0.260 637 L C -1.227 175.658 176.870 0.026 0.000 1.002 637 L CA -0.737 54.123 54.840 0.034 0.000 0.818 637 L CB 2.962 45.035 42.059 0.023 0.000 1.369 637 L HN -0.166 nan 8.230 nan 0.000 0.412 638 L N 2.522 123.760 121.223 0.026 0.000 2.261 638 L HA 0.529 4.868 4.340 -0.002 0.000 0.289 638 L C 0.843 177.722 176.870 0.015 0.000 1.059 638 L CA 0.783 55.639 54.840 0.027 0.000 0.816 638 L CB -0.324 41.753 42.059 0.029 0.000 1.191 638 L HN 0.903 nan 8.230 nan 0.000 0.431 639 G N 4.781 113.588 108.800 0.012 0.000 2.553 639 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.242 639 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.242 639 G C -0.081 174.806 174.900 -0.022 0.000 1.277 639 G CA -0.243 44.858 45.100 0.001 0.000 0.910 639 G HN 0.673 nan 8.290 nan 0.000 0.576 640 N N -0.068 118.614 118.700 -0.029 0.000 2.392 640 N HA 0.508 5.246 4.740 -0.002 0.000 0.283 640 N C -0.492 174.974 175.510 -0.072 0.000 1.003 640 N CA -0.671 52.345 53.050 -0.056 0.000 0.892 640 N CB 0.966 39.426 38.487 -0.044 0.000 1.193 640 N HN 0.562 nan 8.380 nan 0.000 0.487 641 L N 3.775 124.929 121.223 -0.115 0.000 2.257 641 L HA 0.313 4.651 4.340 -0.002 0.000 0.290 641 L C -0.208 176.565 176.870 -0.162 0.000 1.044 641 L CA -0.464 54.290 54.840 -0.143 0.000 0.810 641 L CB 0.628 42.556 42.059 -0.219 0.000 1.193 641 L HN 0.533 nan 8.230 nan 0.000 0.425 642 K N 6.516 126.846 120.400 -0.117 0.000 2.213 642 K HA 0.545 4.864 4.320 -0.002 0.000 0.270 642 K C -1.283 175.260 176.600 -0.094 0.000 1.002 642 K CA -0.516 55.706 56.287 -0.108 0.000 0.868 642 K CB 1.132 33.582 32.500 -0.084 0.000 1.093 642 K HN 0.594 nan 8.250 nan 0.000 0.454 643 I N 3.658 124.173 120.570 -0.092 0.000 2.447 643 I HA 0.158 4.326 4.170 -0.002 0.000 0.287 643 I C -0.718 175.385 176.117 -0.022 0.000 1.023 643 I CA -1.000 60.269 61.300 -0.051 0.000 1.083 643 I CB 1.895 39.864 38.000 -0.051 0.000 1.245 643 I HN 0.554 nan 8.210 nan 0.000 0.434 644 D N 5.931 126.323 120.400 -0.012 0.000 2.351 644 D HA 0.282 4.921 4.640 -0.002 0.000 0.251 644 D C -0.408 175.910 176.300 0.031 0.000 1.137 644 D CA 0.111 54.107 54.000 -0.007 0.000 0.879 644 D CB 2.101 42.894 40.800 -0.011 0.000 1.181 644 D HN 0.031 nan 8.370 nan 0.000 0.448 645 V N 5.187 125.132 119.914 0.052 0.000 2.459 645 V HA 0.321 4.440 4.120 -0.002 0.000 0.295 645 V C -1.825 174.320 176.094 0.084 0.000 1.029 645 V CA -1.518 60.845 62.300 0.106 0.000 0.874 645 V CB 1.780 33.742 31.823 0.232 0.000 0.985 645 V HN 0.477 nan 8.190 nan 0.000 0.438 646 P HA 0.063 nan 4.420 nan 0.000 0.270 646 P C 0.019 177.368 177.300 0.082 0.000 1.223 646 P CA -0.104 63.034 63.100 0.064 0.000 0.785 646 P CB 0.287 32.021 31.700 0.056 0.000 0.923 647 T N 1.758 116.349 114.554 0.063 0.000 2.905 647 T HA 0.047 4.395 4.350 -0.002 0.000 0.299 647 T C 0.343 175.101 174.700 0.095 0.000 1.024 647 T CA 0.374 62.517 62.100 0.072 0.000 1.151 647 T CB -0.311 68.587 68.868 0.049 0.000 0.987 647 T HN 0.286 nan 8.240 nan 0.000 0.535 648 L N 3.656 124.959 121.223 0.133 0.000 2.287 648 L HA 0.623 4.962 4.340 -0.002 0.000 0.287 648 L C 0.859 177.804 176.870 0.125 0.000 1.022 648 L CA -0.611 54.319 54.840 0.149 0.000 0.814 648 L CB 0.644 42.849 42.059 0.243 0.000 1.217 648 L HN 0.754 nan 8.230 nan 0.000 0.420 649 G N 4.602 113.452 108.800 0.084 0.000 2.651 649 G HA2 0.286 4.244 3.960 -0.002 0.000 0.260 649 G HA3 0.286 4.244 3.960 -0.002 0.000 0.260 649 G C -2.691 172.246 174.900 0.061 0.000 1.216 649 G CA -1.090 44.048 45.100 0.063 0.000 0.913 649 G HN 0.460 nan 8.290 nan 0.000 0.535 650 P HA 0.090 nan 4.420 nan 0.000 0.265 650 P C 0.027 177.330 177.300 0.005 0.000 1.193 650 P CA 0.149 63.266 63.100 0.029 0.000 0.765 650 P CB 0.573 32.283 31.700 0.017 0.000 0.823 651 K N -0.954 119.438 120.400 -0.014 0.000 3.363 651 K HA -0.253 4.066 4.320 -0.002 0.000 0.313 651 K C 0.349 176.918 176.600 -0.051 0.000 1.259 651 K CA 1.139 57.398 56.287 -0.046 0.000 0.942 651 K CB -1.882 30.596 32.500 -0.038 0.000 1.229 651 K HN 0.630 nan 8.250 nan 0.000 0.440 652 E N 0.679 120.863 120.200 -0.027 0.000 2.345 652 E HA 0.273 4.622 4.350 -0.002 0.000 0.259 652 E C 0.177 176.751 176.600 -0.044 0.000 1.117 652 E CA -0.617 55.773 56.400 -0.017 0.000 0.913 652 E CB 0.863 30.577 29.700 0.023 0.000 1.057 652 E HN 0.225 nan 8.360 nan 0.000 0.432 653 R N 1.480 121.960 120.500 -0.032 0.000 2.711 653 R HA 0.348 4.687 4.340 -0.002 0.000 0.284 653 R C -1.296 175.011 176.300 0.011 0.000 0.968 653 R CA -0.561 55.510 56.100 -0.047 0.000 0.924 653 R CB 1.909 32.170 30.300 -0.064 0.000 1.162 653 R HN 0.437 nan 8.270 nan 0.000 0.465 654 S N 1.866 117.584 115.700 0.030 0.000 2.462 654 S HA 0.433 4.901 4.470 -0.002 0.000 0.294 654 S C -0.658 173.953 174.600 0.019 0.000 1.144 654 S CA -0.747 57.486 58.200 0.055 0.000 1.088 654 S CB 0.669 63.916 63.200 0.078 0.000 1.009 654 S HN 0.481 nan 8.310 nan 0.000 0.484 655 R N 4.084 124.600 120.500 0.027 0.000 2.335 655 R HA 0.410 4.749 4.340 -0.002 0.000 0.302 655 R C -1.521 174.800 176.300 0.034 0.000 1.147 655 R CA -0.290 55.820 56.100 0.016 0.000 1.111 655 R CB 0.739 31.044 30.300 0.009 0.000 1.122 655 R HN 0.464 nan 8.270 nan 0.000 0.557 656 V N 3.980 123.921 119.914 0.045 0.000 2.495 656 V HA 0.542 4.661 4.120 -0.002 0.000 0.298 656 V C 0.242 176.392 176.094 0.093 0.000 1.031 656 V CA -0.800 61.555 62.300 0.091 0.000 0.871 656 V CB 2.370 34.273 31.823 0.133 0.000 0.988 656 V HN 0.494 nan 8.190 nan 0.000 0.432 657 R N 3.770 124.325 120.500 0.091 0.000 2.807 657 R HA 0.876 5.215 4.340 -0.002 0.000 0.276 657 R C -1.411 174.958 176.300 0.115 0.000 0.979 657 R CA -0.530 55.566 56.100 -0.008 0.000 0.928 657 R CB 2.435 32.707 30.300 -0.045 0.000 1.191 657 R HN 0.725 nan 8.270 nan 0.000 0.471 658 F N -1.808 118.138 119.950 -0.006 0.000 2.703 658 F HA 0.457 4.983 4.527 -0.001 0.000 0.308 658 F C -1.672 174.125 175.800 -0.006 0.000 1.126 658 F CA -1.362 56.636 58.000 -0.004 0.000 0.959 658 F CB 1.148 40.147 39.000 -0.003 0.000 1.297 658 F HN 0.219 nan 8.300 nan 0.000 0.441 659 D N 2.568 123.070 120.400 0.170 0.000 2.229 659 D HA 0.680 5.318 4.640 -0.002 0.000 0.249 659 D C -0.128 176.289 176.300 0.196 0.000 1.027 659 D CA -0.057 53.992 54.000 0.081 0.000 0.923 659 D CB 2.108 42.940 40.800 0.053 0.000 1.174 659 D HN 0.812 nan 8.370 nan 0.000 0.443 660 I N -2.100 118.535 120.570 0.108 0.000 3.002 660 I HA 0.641 4.809 4.170 -0.002 0.000 0.310 660 I C -1.349 174.804 176.117 0.061 0.000 1.087 660 I CA -1.204 60.168 61.300 0.120 0.000 1.017 660 I CB 2.132 40.209 38.000 0.127 0.000 1.226 660 I HN 0.064 nan 8.210 nan 0.000 0.443 661 L N 4.413 125.668 121.223 0.053 0.000 2.490 661 L HA 0.628 4.966 4.340 -0.002 0.000 0.256 661 L C -2.637 174.252 176.870 0.032 0.000 1.089 661 L CA -1.690 53.171 54.840 0.036 0.000 0.916 661 L CB 0.883 42.963 42.059 0.035 0.000 1.188 661 L HN 0.391 nan 8.230 nan 0.000 0.476 662 P HA 0.099 nan 4.420 nan 0.000 0.261 662 P C 0.030 177.343 177.300 0.022 0.000 1.173 662 P CA 0.475 63.589 63.100 0.023 0.000 0.760 662 P CB 0.645 32.354 31.700 0.016 0.000 0.783 663 S N 2.222 117.936 115.700 0.024 0.000 2.687 663 S HA 0.206 4.675 4.470 -0.002 0.000 0.247 663 S C 0.437 175.047 174.600 0.016 0.000 1.050 663 S CA -0.396 57.817 58.200 0.022 0.000 1.063 663 S CB 0.334 63.551 63.200 0.028 0.000 1.039 663 S HN 0.451 nan 8.310 nan 0.000 0.580 664 R N 2.084 122.593 120.500 0.015 0.000 2.510 664 R HA 0.458 4.796 4.340 -0.002 0.000 0.287 664 R C -0.782 175.523 176.300 0.008 0.000 1.084 664 R CA -0.097 56.007 56.100 0.006 0.000 0.934 664 R CB 1.633 31.934 30.300 0.002 0.000 1.201 664 R HN 0.292 nan 8.270 nan 0.000 0.431 665 S N 2.203 117.906 115.700 0.005 0.000 2.589 665 S HA 0.757 5.226 4.470 -0.002 0.000 0.265 665 S C 0.631 175.236 174.600 0.009 0.000 1.342 665 S CA 0.419 58.623 58.200 0.007 0.000 1.005 665 S CB 1.367 64.571 63.200 0.006 0.000 0.909 665 S HN 1.198 nan 8.310 nan 0.000 0.555 666 G N 0.223 109.029 108.800 0.011 0.000 2.373 666 G HA2 0.077 4.036 3.960 -0.002 0.000 0.634 666 G HA3 0.077 4.036 3.960 -0.002 0.000 0.634 666 G C -0.633 174.276 174.900 0.015 0.000 1.267 666 G CA -0.542 44.567 45.100 0.014 0.000 1.008 666 G HN 1.061 nan 8.290 nan 0.000 0.497 667 T N 2.800 117.364 114.554 0.016 0.000 2.738 667 T HA 0.505 4.854 4.350 -0.002 0.000 0.294 667 T C 0.307 175.019 174.700 0.020 0.000 0.914 667 T CA -0.104 62.005 62.100 0.015 0.000 1.052 667 T CB 0.657 69.532 68.868 0.013 0.000 0.897 667 T HN 0.537 nan 8.240 nan 0.000 0.522 668 K N 2.679 123.089 120.400 0.017 0.000 2.185 668 K HA 0.436 4.754 4.320 -0.002 0.000 0.240 668 K C -0.155 176.450 176.600 0.010 0.000 0.983 668 K CA -0.831 55.468 56.287 0.020 0.000 0.873 668 K CB 1.550 34.063 32.500 0.022 0.000 1.118 668 K HN 0.537 nan 8.250 nan 0.000 0.441 669 Q N 1.750 121.552 119.800 0.004 0.000 2.327 669 Q HA 0.316 4.655 4.340 -0.002 0.000 0.270 669 Q C -1.496 174.493 176.000 -0.018 0.000 1.022 669 Q CA -0.855 54.941 55.803 -0.013 0.000 0.773 669 Q CB 1.275 29.996 28.738 -0.029 0.000 1.251 669 Q HN 0.394 nan 8.270 nan 0.000 0.457 670 L N 5.321 126.539 121.223 -0.008 0.000 2.289 670 L HA 0.533 4.871 4.340 -0.002 0.000 0.285 670 L C -1.641 175.219 176.870 -0.017 0.000 1.049 670 L CA -0.109 54.733 54.840 0.004 0.000 0.804 670 L CB 1.069 43.154 42.059 0.044 0.000 1.195 670 L HN 0.668 nan 8.230 nan 0.000 0.428 671 L N 5.030 126.229 121.223 -0.040 0.000 2.354 671 L HA 0.931 5.270 4.340 -0.002 0.000 0.269 671 L C -0.516 176.319 176.870 -0.057 0.000 1.005 671 L CA -0.726 54.077 54.840 -0.061 0.000 0.819 671 L CB 1.881 43.872 42.059 -0.113 0.000 1.311 671 L HN 0.774 nan 8.230 nan 0.000 0.423 672 A N 1.383 124.176 122.820 -0.045 0.000 2.515 672 A HA 0.654 4.973 4.320 -0.002 0.000 0.298 672 A C -1.808 175.757 177.584 -0.031 0.000 1.059 672 A CA -0.473 51.539 52.037 -0.043 0.000 0.698 672 A CB 1.995 20.991 19.000 -0.007 0.000 1.289 672 A HN 0.726 nan 8.150 nan 0.000 0.404 673 D N 0.213 120.593 120.400 -0.034 0.000 2.505 673 D HA 0.602 5.240 4.640 -0.002 0.000 0.249 673 D C -1.621 174.695 176.300 0.028 0.000 1.082 673 D CA -0.084 53.904 54.000 -0.021 0.000 0.839 673 D CB 1.022 41.780 40.800 -0.071 0.000 1.317 673 D HN 0.312 nan 8.370 nan 0.000 0.497 674 F N 3.132 122.995 119.950 -0.146 0.000 2.445 674 F HA 0.550 5.076 4.527 -0.002 0.000 0.348 674 F C -1.228 174.469 175.800 -0.172 0.000 1.125 674 F CA -0.472 57.412 58.000 -0.194 0.000 0.983 674 F CB 1.472 40.291 39.000 -0.302 0.000 1.198 674 F HN 0.221 nan 8.300 nan 0.000 0.436 675 S N 5.055 120.382 115.700 -0.622 0.000 2.500 675 S HA 0.768 5.237 4.470 -0.002 0.000 0.301 675 S C -0.975 173.264 174.600 -0.601 0.000 1.092 675 S CA -0.589 57.333 58.200 -0.462 0.000 1.030 675 S CB 1.050 64.097 63.200 -0.257 0.000 1.031 675 S HN 0.840 nan 8.310 nan 0.000 0.483 676 C N 2.093 121.170 119.300 -0.373 0.000 3.236 676 C HA 0.589 5.048 4.460 -0.002 0.000 0.312 676 C C 1.615 176.545 174.990 -0.100 0.000 1.374 676 C CA -1.019 57.846 59.018 -0.254 0.000 1.455 676 C CB 0.843 28.454 27.740 -0.215 0.000 1.834 676 C HN 0.901 nan 8.230 nan 0.000 0.460 677 N N 1.665 120.321 118.700 -0.073 0.000 2.132 677 N HA -0.228 4.510 4.740 -0.002 0.000 0.191 677 N C 1.041 176.505 175.510 -0.077 0.000 1.015 677 N CA 1.849 54.862 53.050 -0.062 0.000 0.864 677 N CB -0.341 38.115 38.487 -0.050 0.000 1.006 677 N HN 0.780 nan 8.380 nan 0.000 0.430 678 K N -0.688 119.655 120.400 -0.094 0.000 2.356 678 K HA 0.131 4.450 4.320 -0.002 0.000 0.195 678 K C -0.183 176.141 176.600 -0.459 0.000 1.037 678 K CA 0.161 56.282 56.287 -0.278 0.000 1.014 678 K CB 0.310 32.601 32.500 -0.350 0.000 0.815 678 K HN 0.244 nan 8.250 nan 0.000 0.507 679 F N 2.612 122.592 119.950 0.050 0.000 2.810 679 F HA 0.249 4.775 4.527 -0.002 0.000 0.373 679 F C -2.395 173.392 175.800 -0.022 0.000 1.174 679 F CA -2.160 55.875 58.000 0.059 0.000 1.141 679 F CB 1.901 40.970 39.000 0.115 0.000 1.420 679 F HN -0.173 nan 8.300 nan 0.000 0.518 680 P HA 0.268 nan 4.420 nan 0.000 0.284 680 P C 0.012 177.357 177.300 0.074 0.000 1.253 680 P CA 0.068 63.202 63.100 0.057 0.000 0.800 680 P CB 1.850 33.587 31.700 0.062 0.000 0.961 681 A N 2.975 125.799 122.820 0.007 0.000 2.667 681 A HA -0.178 4.140 4.320 -0.002 0.000 0.298 681 A C 0.319 177.928 177.584 0.042 0.000 1.483 681 A CA 0.290 52.336 52.037 0.015 0.000 0.738 681 A CB -2.597 16.426 19.000 0.038 0.000 1.067 681 A HN 0.483 nan 8.150 nan 0.000 0.451 682 I N 0.948 121.547 120.570 0.048 0.000 2.496 682 I HA 0.204 4.373 4.170 -0.002 0.000 0.285 682 I C 0.566 176.702 176.117 0.032 0.000 1.080 682 I CA -0.125 61.206 61.300 0.052 0.000 1.404 682 I CB 0.786 38.816 38.000 0.050 0.000 1.403 682 I HN 0.233 nan 8.210 nan 0.000 0.539 683 K N 5.575 125.981 120.400 0.010 0.000 2.156 683 K HA 0.831 5.150 4.320 -0.002 0.000 0.254 683 K C -0.777 175.814 176.600 -0.015 0.000 0.950 683 K CA -0.684 55.598 56.287 -0.009 0.000 0.849 683 K CB 2.191 34.674 32.500 -0.029 0.000 1.100 683 K HN 0.665 nan 8.250 nan 0.000 0.434 684 A N 2.466 125.275 122.820 -0.019 0.000 2.449 684 A HA 0.771 5.090 4.320 -0.002 0.000 0.302 684 A C -1.166 176.401 177.584 -0.027 0.000 1.048 684 A CA -0.759 51.267 52.037 -0.019 0.000 0.708 684 A CB 1.664 20.661 19.000 -0.005 0.000 1.274 684 A HN 0.740 nan 8.150 nan 0.000 0.410 685 M N 2.518 122.099 119.600 -0.030 0.000 2.386 685 M HA 0.748 5.227 4.480 -0.002 0.000 0.293 685 M C -2.465 173.820 176.300 -0.026 0.000 1.120 685 M CA -0.985 54.293 55.300 -0.036 0.000 0.909 685 M CB 1.921 34.488 32.600 -0.056 0.000 1.661 685 M HN 0.790 nan 8.290 nan 0.000 0.452 686 L N 3.460 124.672 121.223 -0.019 0.000 2.528 686 L HA 0.495 4.834 4.340 -0.002 0.000 0.267 686 L C -1.344 175.518 176.870 -0.012 0.000 0.961 686 L CA 0.135 54.967 54.840 -0.013 0.000 0.866 686 L CB 2.202 44.260 42.059 -0.002 0.000 1.248 686 L HN 0.736 nan 8.230 nan 0.000 0.404 687 S N 5.468 121.159 115.700 -0.015 0.000 2.545 687 S HA 0.766 5.235 4.470 -0.002 0.000 0.275 687 S C -0.391 174.205 174.600 -0.007 0.000 1.299 687 S CA -0.354 57.840 58.200 -0.011 0.000 1.048 687 S CB 0.151 63.344 63.200 -0.012 0.000 0.938 687 S HN 0.520 nan 8.310 nan 0.000 0.496 688 I N 3.557 124.126 120.570 -0.002 0.000 2.533 688 I HA 0.321 4.490 4.170 -0.002 0.000 0.290 688 I C -0.968 175.150 176.117 0.001 0.000 1.056 688 I CA -0.839 60.460 61.300 -0.002 0.000 1.057 688 I CB 2.181 40.182 38.000 0.001 0.000 1.240 688 I HN 0.479 nan 8.210 nan 0.000 0.423 689 D N 6.287 126.687 120.400 -0.001 0.000 2.347 689 D HA 0.254 4.893 4.640 -0.002 0.000 0.235 689 D C -0.384 175.917 176.300 0.002 0.000 1.149 689 D CA -0.066 53.935 54.000 0.001 0.000 0.850 689 D CB 2.183 42.983 40.800 -0.000 0.000 1.061 689 D HN 0.041 nan 8.370 nan 0.000 0.487 690 V N 2.156 122.073 119.914 0.005 0.000 2.383 690 V HA 0.525 4.644 4.120 -0.002 0.000 0.275 690 V C 0.611 176.708 176.094 0.005 0.000 1.036 690 V CA -0.673 61.630 62.300 0.005 0.000 0.889 690 V CB 1.230 33.059 31.823 0.009 0.000 0.985 690 V HN 0.599 nan 8.190 nan 0.000 0.459 691 A N 3.865 126.687 122.820 0.004 0.000 2.294 691 A HA 0.752 5.071 4.320 -0.002 0.000 0.330 691 A C 0.010 177.597 177.584 0.005 0.000 1.133 691 A CA -0.521 51.519 52.037 0.004 0.000 0.836 691 A CB 0.928 19.929 19.000 0.002 0.000 1.190 691 A HN 0.782 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 4.349 4.350 -0.002 0.000 0.291 692 E CA 0.000 56.404 56.400 0.006 0.000 0.976 692 E CB 0.000 29.704 29.700 0.007 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440