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 1rle_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 VFQKALGKLX XXXXXXXXXX XXLETEEQEP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.576 177.584 -0.013 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 2 A N 0.959 123.769 122.820 -0.016 0.000 2.332 2 A HA 0.616 4.935 4.320 -0.002 0.000 0.258 2 A C 0.277 177.848 177.584 -0.022 0.000 1.087 2 A CA -0.264 51.763 52.037 -0.017 0.000 0.802 2 A CB 0.140 19.127 19.000 -0.023 0.000 1.042 2 A HN 2.085 nan 8.150 nan 0.000 0.489 3 L N 1.407 122.618 121.223 -0.021 0.000 2.499 3 L HA 0.489 4.828 4.340 -0.002 0.000 0.273 3 L C 0.503 177.348 176.870 -0.041 0.000 1.195 3 L CA 1.417 56.241 54.840 -0.026 0.000 0.882 3 L CB 0.077 42.124 42.059 -0.020 0.000 1.133 3 L HN 0.843 nan 8.230 nan 0.000 0.483 4 G N 3.967 112.742 108.800 -0.043 0.000 2.718 4 G HA2 0.547 4.506 3.960 -0.002 0.000 0.295 4 G HA3 0.547 4.506 3.960 -0.002 0.000 0.295 4 G C -1.697 173.172 174.900 -0.052 0.000 1.421 4 G CA -0.675 44.394 45.100 -0.052 0.000 0.902 4 G HN 0.522 nan 8.290 nan 0.000 0.501 5 V N 1.368 121.246 119.914 -0.061 0.000 2.583 5 V HA 0.207 4.326 4.120 -0.002 0.000 0.287 5 V C 0.907 176.975 176.094 -0.044 0.000 1.051 5 V CA -0.023 62.242 62.300 -0.059 0.000 1.010 5 V CB 1.374 33.153 31.823 -0.074 0.000 0.988 5 V HN 0.906 nan 8.190 nan 0.000 0.478 6 Q N 2.357 122.133 119.800 -0.040 0.000 2.304 6 Q HA 0.176 4.514 4.340 -0.002 0.000 0.204 6 Q C 0.560 176.543 176.000 -0.027 0.000 0.936 6 Q CA 0.869 56.654 55.803 -0.029 0.000 0.878 6 Q CB 0.843 29.566 28.738 -0.025 0.000 0.983 6 Q HN 0.899 nan 8.270 nan 0.000 0.516 7 S N -0.849 114.826 115.700 -0.041 0.000 2.588 7 S HA 0.628 5.096 4.470 -0.002 0.000 0.269 7 S C -1.302 173.242 174.600 -0.093 0.000 1.157 7 S CA -0.956 57.217 58.200 -0.046 0.000 0.824 7 S CB 1.732 64.914 63.200 -0.030 0.000 1.126 7 S HN 0.229 nan 8.310 nan 0.000 0.464 8 I N 1.487 121.976 120.570 -0.135 0.000 2.619 8 I HA 0.531 4.699 4.170 -0.002 0.000 0.292 8 I C -1.626 174.304 176.117 -0.311 0.000 1.100 8 I CA -0.608 60.519 61.300 -0.289 0.000 1.043 8 I CB 1.968 39.670 38.000 -0.496 0.000 1.239 8 I HN 0.827 nan 8.210 nan 0.000 0.420 9 N N 6.233 124.757 118.700 -0.293 0.000 2.476 9 N HA 0.204 4.942 4.740 -0.002 0.000 0.257 9 N C -0.355 175.060 175.510 -0.158 0.000 0.970 9 N CA -0.376 52.585 53.050 -0.147 0.000 0.938 9 N CB 0.964 39.414 38.487 -0.062 0.000 1.144 9 N HN 0.667 nan 8.380 nan 0.000 0.500 10 W N 1.826 123.171 121.300 0.075 0.000 2.800 10 W HA 0.154 4.813 4.660 -0.002 0.000 0.249 10 W C 0.819 177.398 176.519 0.100 0.000 1.294 10 W CA -0.191 57.209 57.345 0.093 0.000 1.402 10 W CB 0.016 29.522 29.460 0.077 0.000 1.126 10 W HN 0.521 nan 8.180 nan 0.000 0.652 11 Q N -0.080 119.873 119.800 0.255 0.000 2.435 11 Q HA -0.263 4.075 4.340 -0.002 0.000 0.312 11 Q C 1.059 177.212 176.000 0.254 0.000 1.333 11 Q CA 0.756 56.689 55.803 0.217 0.000 0.883 11 Q CB -1.682 27.167 28.738 0.185 0.000 1.170 11 Q HN 0.255 nan 8.270 nan 0.000 0.443 12 T N -0.750 113.936 114.554 0.220 0.000 2.624 12 T HA -0.295 4.054 4.350 -0.002 0.000 0.268 12 T C 1.775 176.534 174.700 0.098 0.000 1.041 12 T CA 1.728 63.911 62.100 0.138 0.000 1.159 12 T CB -0.180 68.752 68.868 0.107 0.000 0.863 12 T HN 0.679 nan 8.240 nan 0.000 0.434 13 A N 0.797 123.686 122.820 0.114 0.000 1.877 13 A HA -0.028 4.291 4.320 -0.002 0.000 0.216 13 A C 2.059 179.702 177.584 0.097 0.000 1.186 13 A CA 1.596 53.686 52.037 0.088 0.000 0.620 13 A CB -1.029 18.026 19.000 0.093 0.000 0.822 13 A HN 0.515 nan 8.150 nan 0.000 0.443 14 F N 1.339 121.304 119.950 0.024 0.000 2.075 14 F HA -0.236 4.290 4.527 -0.002 0.000 0.297 14 F C 2.202 178.014 175.800 0.019 0.000 1.113 14 F CA 2.197 60.209 58.000 0.021 0.000 1.218 14 F CB -0.212 38.808 39.000 0.034 0.000 0.984 14 F HN 0.205 nan 8.300 nan 0.000 0.472 15 N N 0.679 119.404 118.700 0.042 0.000 2.120 15 N HA -0.161 4.578 4.740 -0.002 0.000 0.188 15 N C 1.927 177.334 175.510 -0.172 0.000 1.024 15 N CA 1.502 54.502 53.050 -0.084 0.000 0.852 15 N CB -0.494 38.001 38.487 0.014 0.000 1.003 15 N HN 0.396 nan 8.380 nan 0.000 0.424 16 R N 0.916 121.341 120.500 -0.125 0.000 2.096 16 R HA -0.111 4.228 4.340 -0.002 0.000 0.235 16 R C 2.231 178.445 176.300 -0.143 0.000 1.127 16 R CA 0.988 57.026 56.100 -0.104 0.000 0.968 16 R CB -0.207 30.071 30.300 -0.037 0.000 0.861 16 R HN 0.424 nan 8.270 nan 0.000 0.440 17 Q N 0.515 120.203 119.800 -0.187 0.000 2.079 17 Q HA -0.125 4.214 4.340 -0.002 0.000 0.200 17 Q C 1.991 177.741 176.000 -0.416 0.000 0.974 17 Q CA 1.601 57.258 55.803 -0.244 0.000 0.840 17 Q CB -0.054 28.565 28.738 -0.199 0.000 0.898 17 Q HN 0.352 nan 8.270 nan 0.000 0.430 18 A N 0.112 122.659 122.820 -0.455 0.000 1.930 18 A HA -0.161 4.157 4.320 -0.002 0.000 0.217 18 A C 1.483 178.697 177.584 -0.616 0.000 1.175 18 A CA 1.291 53.020 52.037 -0.513 0.000 0.627 18 A CB -0.718 18.011 19.000 -0.451 0.000 0.815 18 A HN 0.553 nan 8.150 nan 0.000 0.443 19 H N -1.473 117.279 119.070 -0.529 0.000 2.533 19 H HA 0.039 4.594 4.556 -0.002 0.000 0.271 19 H C -0.383 174.659 175.328 -0.476 0.000 1.000 19 H CA 0.356 56.157 56.048 -0.413 0.000 1.149 19 H CB -0.004 29.642 29.762 -0.195 0.000 1.375 19 H HN 0.662 nan 8.280 nan 0.000 0.582 20 H N 0.145 119.007 119.070 -0.347 0.000 2.770 20 H HA -0.120 4.434 4.556 -0.002 0.000 0.309 20 H C 0.771 176.015 175.328 -0.141 0.000 1.206 20 H CA 1.179 56.965 56.048 -0.436 0.000 1.147 20 H CB -2.238 26.785 29.762 -1.232 0.000 1.422 20 H HN 0.522 nan 8.280 nan 0.000 0.420 21 T N -3.346 111.242 114.554 0.058 0.000 3.170 21 T HA 0.023 4.372 4.350 -0.002 0.000 0.288 21 T C 1.206 176.052 174.700 0.244 0.000 0.992 21 T CA 0.161 62.443 62.100 0.302 0.000 0.909 21 T CB 0.442 69.484 68.868 0.290 0.000 1.133 21 T HN 0.412 nan 8.240 nan 0.000 0.530 22 D N 1.786 122.208 120.400 0.037 0.000 2.312 22 D HA -0.091 4.548 4.640 -0.002 0.000 0.211 22 D C 1.537 177.795 176.300 -0.070 0.000 0.964 22 D CA 0.353 54.350 54.000 -0.005 0.000 0.877 22 D CB 0.048 40.814 40.800 -0.057 0.000 0.924 22 D HN 0.357 nan 8.370 nan 0.000 0.515 23 K N 0.020 120.265 120.400 -0.259 0.000 2.228 23 K HA 0.014 4.333 4.320 -0.002 0.000 0.202 23 K C 0.485 176.883 176.600 -0.337 0.000 1.051 23 K CA 0.006 55.958 56.287 -0.558 0.000 0.960 23 K CB -0.146 31.514 32.500 -1.399 0.000 0.743 23 K HN 0.155 nan 8.250 nan 0.000 0.458 24 F N 1.884 121.868 119.950 0.057 0.000 2.608 24 F HA -0.069 4.457 4.527 -0.002 0.000 0.380 24 F C 1.275 177.151 175.800 0.126 0.000 1.083 24 F CA 0.052 58.194 58.000 0.237 0.000 1.266 24 F CB 0.395 39.527 39.000 0.221 0.000 1.076 24 F HN -0.163 nan 8.300 nan 0.000 0.574 25 S N 3.398 119.291 115.700 0.321 0.000 2.494 25 S HA 0.408 4.876 4.470 -0.002 0.000 0.312 25 S C -0.283 174.425 174.600 0.179 0.000 1.121 25 S CA -0.089 58.227 58.200 0.193 0.000 1.068 25 S CB -0.286 63.010 63.200 0.161 0.000 1.141 25 S HN 0.691 nan 8.310 nan 0.000 0.527 26 S N 3.234 119.021 115.700 0.144 0.000 2.578 26 S HA 0.357 4.825 4.470 -0.002 0.000 0.272 26 S C -0.269 174.370 174.600 0.065 0.000 1.145 26 S CA -0.588 57.669 58.200 0.096 0.000 0.835 26 S CB 1.143 64.396 63.200 0.089 0.000 1.104 26 S HN 0.580 nan 8.310 nan 0.000 0.458 27 Q N 1.046 120.868 119.800 0.037 0.000 2.384 27 Q HA 0.273 4.612 4.340 -0.002 0.000 0.207 27 Q C -0.055 175.946 176.000 0.001 0.000 0.904 27 Q CA 0.408 56.227 55.803 0.027 0.000 0.933 27 Q CB 0.160 28.913 28.738 0.025 0.000 1.077 27 Q HN 0.698 nan 8.270 nan 0.000 0.522 28 E N 0.823 121.011 120.200 -0.020 0.000 2.392 28 E HA 0.108 4.457 4.350 -0.002 0.000 0.256 28 E C -0.442 176.109 176.600 -0.082 0.000 1.145 28 E CA -0.412 55.949 56.400 -0.066 0.000 0.929 28 E CB 0.773 30.426 29.700 -0.078 0.000 0.998 28 E HN -0.081 nan 8.360 nan 0.000 0.442 29 L N 2.924 124.059 121.223 -0.146 0.000 2.295 29 L HA 0.268 4.607 4.340 -0.002 0.000 0.288 29 L C -1.032 175.749 176.870 -0.148 0.000 1.079 29 L CA 0.460 55.196 54.840 -0.174 0.000 0.830 29 L CB -0.021 41.850 42.059 -0.313 0.000 1.200 29 L HN 0.347 nan 8.230 nan 0.000 0.438 30 I N 6.572 127.061 120.570 -0.136 0.000 2.339 30 I HA 0.387 4.556 4.170 -0.002 0.000 0.290 30 I C -0.421 175.600 176.117 -0.160 0.000 0.994 30 I CA -0.345 60.880 61.300 -0.124 0.000 1.191 30 I CB 1.105 39.033 38.000 -0.120 0.000 1.343 30 I HN 0.531 nan 8.210 nan 0.000 0.458 31 L N 5.970 127.100 121.223 -0.155 0.000 2.257 31 L HA 0.668 5.007 4.340 -0.002 0.000 0.257 31 L C -0.339 176.579 176.870 0.080 0.000 1.033 31 L CA -1.010 53.704 54.840 -0.210 0.000 0.835 31 L CB 1.929 43.654 42.059 -0.556 0.000 1.398 31 L HN 0.474 nan 8.230 nan 0.000 0.429 32 R N 0.479 121.183 120.500 0.340 0.000 2.562 32 R HA 0.454 4.793 4.340 -0.002 0.000 0.298 32 R C -0.865 175.539 176.300 0.173 0.000 0.961 32 R CA -0.958 55.293 56.100 0.252 0.000 0.881 32 R CB 2.239 32.703 30.300 0.272 0.000 1.159 32 R HN 0.591 nan 8.270 nan 0.000 0.450 33 R N 0.347 120.897 120.500 0.083 0.000 2.784 33 R HA 0.212 4.550 4.340 -0.002 0.000 0.266 33 R C 0.483 176.772 176.300 -0.018 0.000 1.044 33 R CA 0.554 56.645 56.100 -0.015 0.000 1.151 33 R CB 0.142 30.418 30.300 -0.039 0.000 1.037 33 R HN 0.793 nan 8.270 nan 0.000 0.478 34 G N -0.006 108.722 108.800 -0.121 0.000 2.155 34 G HA2 -0.354 3.604 3.960 -0.002 0.000 0.257 34 G HA3 -0.354 3.604 3.960 -0.002 0.000 0.257 34 G C -0.118 174.737 174.900 -0.075 0.000 0.983 34 G CA 0.765 45.801 45.100 -0.107 0.000 0.676 34 G HN 0.777 nan 8.290 nan 0.000 0.528 35 Q N -0.057 119.715 119.800 -0.046 0.000 2.372 35 Q HA 0.500 4.838 4.340 -0.002 0.000 0.273 35 Q C -0.061 176.004 176.000 0.107 0.000 1.078 35 Q CA -0.732 55.036 55.803 -0.059 0.000 0.806 35 Q CB 1.100 29.663 28.738 -0.292 0.000 1.332 35 Q HN 0.428 nan 8.270 nan 0.000 0.435 36 N N 1.414 120.162 118.700 0.079 0.000 2.445 36 N HA 0.513 5.252 4.740 -0.002 0.000 0.264 36 N C -1.035 174.718 175.510 0.405 0.000 1.227 36 N CA -0.169 52.961 53.050 0.134 0.000 0.963 36 N CB 0.530 39.000 38.487 -0.029 0.000 1.188 36 N HN 0.410 nan 8.380 nan 0.000 0.491 37 F N -3.529 116.489 119.950 0.113 0.000 2.613 37 F HA 0.494 5.020 4.527 -0.002 0.000 0.310 37 F C -0.526 175.327 175.800 0.089 0.000 1.085 37 F CA -1.210 56.857 58.000 0.112 0.000 0.945 37 F CB 1.453 40.420 39.000 -0.054 0.000 1.298 37 F HN 0.544 nan 8.300 nan 0.000 0.455 38 Q N 2.554 122.504 119.800 0.249 0.000 2.293 38 Q HA 0.726 5.065 4.340 -0.002 0.000 0.261 38 Q C -1.413 174.660 176.000 0.121 0.000 0.960 38 Q CA -0.968 54.895 55.803 0.099 0.000 0.882 38 Q CB 2.250 31.053 28.738 0.109 0.000 1.275 38 Q HN 0.899 nan 8.270 nan 0.000 0.445 39 V N 1.573 121.492 119.914 0.007 0.000 2.914 39 V HA 0.653 4.772 4.120 -0.002 0.000 0.314 39 V C -0.983 175.064 176.094 -0.079 0.000 1.084 39 V CA -1.031 61.254 62.300 -0.025 0.000 0.963 39 V CB 1.789 33.550 31.823 -0.103 0.000 1.025 39 V HN 0.746 nan 8.190 nan 0.000 0.432 40 L N 3.871 125.031 121.223 -0.105 0.000 2.298 40 L HA 0.629 4.968 4.340 -0.002 0.000 0.284 40 L C -0.333 176.466 176.870 -0.119 0.000 1.013 40 L CA -0.316 54.468 54.840 -0.092 0.000 0.824 40 L CB 1.635 43.647 42.059 -0.077 0.000 1.221 40 L HN 0.699 nan 8.230 nan 0.000 0.418 41 M N 4.900 124.449 119.600 -0.085 0.000 2.114 41 M HA 0.493 4.972 4.480 -0.002 0.000 0.332 41 M C -0.864 175.399 176.300 -0.061 0.000 1.014 41 M CA -0.380 54.868 55.300 -0.086 0.000 0.956 41 M CB 1.236 33.806 32.600 -0.049 0.000 1.551 41 M HN 0.482 nan 8.290 nan 0.000 0.427 42 I N 6.441 126.972 120.570 -0.065 0.000 2.301 42 I HA 0.204 4.373 4.170 -0.002 0.000 0.292 42 I C -0.134 175.957 176.117 -0.044 0.000 1.046 42 I CA -0.522 60.750 61.300 -0.047 0.000 1.282 42 I CB 0.785 38.759 38.000 -0.042 0.000 1.409 42 I HN 0.628 nan 8.210 nan 0.000 0.484 43 M N 5.170 124.747 119.600 -0.037 0.000 2.369 43 M HA 0.199 4.677 4.480 -0.002 0.000 0.291 43 M C 1.250 177.533 176.300 -0.029 0.000 1.178 43 M CA -0.458 54.820 55.300 -0.036 0.000 0.996 43 M CB 0.301 32.881 32.600 -0.033 0.000 1.472 43 M HN 0.528 nan 8.290 nan 0.000 0.496 44 N N 0.563 119.246 118.700 -0.027 0.000 2.422 44 N HA -0.028 4.710 4.740 -0.002 0.000 0.181 44 N C -0.220 175.279 175.510 -0.018 0.000 1.080 44 N CA 0.405 53.442 53.050 -0.022 0.000 0.893 44 N CB 0.439 38.913 38.487 -0.022 0.000 0.973 44 N HN 0.762 nan 8.380 nan 0.000 0.456 45 K N -2.377 118.012 120.400 -0.018 0.000 0.000 45 K HA 0.550 4.869 4.320 -0.002 0.000 0.000 45 K C -0.370 176.221 176.600 -0.014 0.000 0.000 45 K CA -0.927 55.351 56.287 -0.014 0.000 0.000 45 K CB 0.345 32.837 32.500 -0.013 0.000 0.000 45 K HN -0.137 nan 8.250 nan 0.000 0.000 46 G N 0.437 109.231 108.800 -0.010 0.000 2.539 46 G HA2 0.376 4.335 3.960 -0.002 0.000 0.258 46 G HA3 0.376 4.335 3.960 -0.002 0.000 0.258 46 G C -0.915 173.981 174.900 -0.007 0.000 1.202 46 G CA -0.668 44.427 45.100 -0.008 0.000 0.851 46 G HN 0.416 nan 8.290 nan 0.000 0.556 47 L N 1.926 123.146 121.223 -0.004 0.000 2.313 47 L HA 0.575 4.914 4.340 -0.002 0.000 0.282 47 L C 0.875 177.746 176.870 0.001 0.000 1.092 47 L CA -0.178 54.662 54.840 -0.001 0.000 0.831 47 L CB 0.429 42.490 42.059 0.002 0.000 1.159 47 L HN 0.511 nan 8.230 nan 0.000 0.442 48 G N 2.435 111.237 108.800 0.003 0.000 2.444 48 G HA2 0.336 4.295 3.960 -0.002 0.000 0.268 48 G HA3 0.336 4.295 3.960 -0.002 0.000 0.268 48 G C 0.750 175.653 174.900 0.004 0.000 1.203 48 G CA 0.100 45.202 45.100 0.003 0.000 0.835 48 G HN 0.884 nan 8.290 nan 0.000 0.543 49 S N 0.136 115.837 115.700 0.002 0.000 2.547 49 S HA -0.130 4.338 4.470 -0.002 0.000 0.235 49 S C 1.461 176.060 174.600 -0.003 0.000 0.980 49 S CA 1.108 59.308 58.200 -0.000 0.000 0.941 49 S CB -0.199 63.000 63.200 -0.001 0.000 0.763 49 S HN 0.714 nan 8.310 nan 0.000 0.532 50 N N 0.648 119.348 118.700 0.001 0.000 2.299 50 N HA 0.076 4.815 4.740 -0.002 0.000 0.187 50 N C -0.186 175.330 175.510 0.009 0.000 1.099 50 N CA -0.115 52.935 53.050 -0.000 0.000 0.867 50 N CB 0.364 38.853 38.487 0.004 0.000 0.974 50 N HN 0.552 nan 8.380 nan 0.000 0.477 51 E N 0.520 120.730 120.200 0.017 0.000 2.250 51 E HA 0.344 4.692 4.350 -0.002 0.000 0.265 51 E C -0.509 176.114 176.600 0.039 0.000 1.033 51 E CA -0.544 55.881 56.400 0.042 0.000 0.888 51 E CB 1.926 31.647 29.700 0.034 0.000 1.151 51 E HN 0.089 nan 8.360 nan 0.000 0.412 52 R N 1.411 121.966 120.500 0.092 0.000 2.604 52 R HA 0.386 4.725 4.340 -0.002 0.000 0.270 52 R C -1.812 174.576 176.300 0.147 0.000 1.052 52 R CA -0.512 55.635 56.100 0.078 0.000 0.902 52 R CB 1.055 31.330 30.300 -0.042 0.000 1.233 52 R HN 0.450 nan 8.270 nan 0.000 0.455 53 L N 3.149 124.407 121.223 0.058 0.000 2.322 53 L HA 0.535 4.874 4.340 -0.002 0.000 0.281 53 L C -0.402 176.434 176.870 -0.057 0.000 1.014 53 L CA -0.866 53.944 54.840 -0.050 0.000 0.815 53 L CB 2.009 43.970 42.059 -0.162 0.000 1.247 53 L HN 0.547 nan 8.230 nan 0.000 0.421 54 E N 3.183 123.307 120.200 -0.126 0.000 2.185 54 E HA 0.379 4.727 4.350 -0.002 0.000 0.261 54 E C -1.224 175.175 176.600 -0.336 0.000 0.879 54 E CA -0.482 55.854 56.400 -0.107 0.000 0.756 54 E CB 2.246 31.988 29.700 0.071 0.000 1.152 54 E HN 0.242 nan 8.360 nan 0.000 0.416 55 F N 2.317 121.998 119.950 -0.449 0.000 2.389 55 F HA 0.375 4.901 4.527 -0.002 0.000 0.337 55 F C 0.763 176.200 175.800 -0.604 0.000 1.112 55 F CA -0.276 57.362 58.000 -0.603 0.000 1.192 55 F CB 0.759 39.171 39.000 -0.980 0.000 1.185 55 F HN 0.255 nan 8.300 nan 0.000 0.552 56 I N 3.841 124.341 120.570 -0.118 0.000 2.468 56 I HA 0.381 4.550 4.170 -0.002 0.000 0.285 56 I C -1.066 175.093 176.117 0.070 0.000 1.039 56 I CA -1.015 60.264 61.300 -0.035 0.000 1.074 56 I CB 1.698 39.686 38.000 -0.020 0.000 1.228 56 I HN 0.298 nan 8.210 nan 0.000 0.436 57 V N 1.956 121.902 119.914 0.053 0.000 2.581 57 V HA 0.848 4.966 4.120 -0.002 0.000 0.303 57 V C -0.154 175.977 176.094 0.061 0.000 1.041 57 V CA -0.195 62.145 62.300 0.065 0.000 0.907 57 V CB 1.722 33.389 31.823 -0.260 0.000 0.994 57 V HN 0.712 nan 8.190 nan 0.000 0.442 58 S N 1.848 117.612 115.700 0.106 0.000 2.541 58 S HA 0.805 5.273 4.470 -0.002 0.000 0.271 58 S C -0.549 173.892 174.600 -0.265 0.000 1.133 58 S CA -0.566 57.612 58.200 -0.036 0.000 0.876 58 S CB 2.045 65.223 63.200 -0.037 0.000 1.105 58 S HN 1.229 nan 8.310 nan 0.000 0.470 59 T N 0.761 115.074 114.554 -0.402 0.000 2.956 59 T HA 0.711 5.059 4.350 -0.002 0.000 0.312 59 T C -0.165 174.369 174.700 -0.276 0.000 1.151 59 T CA 0.833 62.596 62.100 -0.561 0.000 1.024 59 T CB 0.858 69.027 68.868 -1.164 0.000 1.140 59 T HN 1.795 nan 8.240 nan 0.000 0.473 60 G N 4.726 113.408 108.800 -0.196 0.000 2.795 60 G HA2 -0.080 3.879 3.960 -0.002 0.000 0.664 60 G HA3 -0.080 3.879 3.960 -0.002 0.000 0.664 60 G C -1.868 172.963 174.900 -0.115 0.000 1.381 60 G CA -0.173 44.884 45.100 -0.071 0.000 0.853 60 G HN 0.664 nan 8.290 nan 0.000 0.545 61 P HA 0.103 nan 4.420 nan 0.000 0.241 61 P C -0.178 176.688 177.300 -0.724 0.000 1.191 61 P CA 1.148 63.975 63.100 -0.455 0.000 0.771 61 P CB 0.123 31.480 31.700 -0.571 0.000 0.929 62 Y N 0.020 120.302 120.300 -0.030 0.000 2.490 62 Y HA 0.394 4.943 4.550 -0.002 0.000 0.346 62 Y C -2.417 173.465 175.900 -0.031 0.000 1.023 62 Y CA -3.251 54.829 58.100 -0.034 0.000 1.142 62 Y CB 0.057 38.491 38.460 -0.045 0.000 1.126 62 Y HN -0.087 nan 8.280 nan 0.000 0.647 63 P HA -0.011 nan 4.420 nan 0.000 0.258 63 P C -0.003 177.331 177.300 0.058 0.000 1.187 63 P CA 0.597 63.713 63.100 0.026 0.000 0.767 63 P CB 0.743 32.441 31.700 -0.004 0.000 0.770 64 S N 2.477 118.212 115.700 0.059 0.000 2.647 64 S HA 0.239 4.708 4.470 -0.002 0.000 0.300 64 S C 0.938 175.578 174.600 0.067 0.000 1.129 64 S CA -0.585 57.651 58.200 0.060 0.000 1.029 64 S CB 0.795 64.027 63.200 0.054 0.000 1.007 64 S HN 0.198 nan 8.310 nan 0.000 0.484 65 E N 2.511 122.752 120.200 0.070 0.000 2.118 65 E HA -0.075 4.274 4.350 -0.002 0.000 0.195 65 E C 1.800 178.452 176.600 0.087 0.000 0.992 65 E CA 1.751 58.203 56.400 0.087 0.000 0.804 65 E CB -0.043 29.708 29.700 0.085 0.000 0.741 65 E HN 0.611 nan 8.360 nan 0.000 0.458 66 S N 0.062 115.801 115.700 0.065 0.000 2.402 66 S HA -0.053 4.416 4.470 -0.002 0.000 0.229 66 S C 1.848 176.481 174.600 0.056 0.000 1.021 66 S CA 0.884 59.118 58.200 0.056 0.000 0.974 66 S CB -0.013 63.210 63.200 0.038 0.000 0.800 66 S HN 0.384 nan 8.310 nan 0.000 0.484 67 A N 0.486 123.339 122.820 0.055 0.000 2.251 67 A HA 0.423 4.742 4.320 -0.002 0.000 0.209 67 A C 0.946 178.576 177.584 0.077 0.000 1.187 67 A CA 0.017 52.084 52.037 0.049 0.000 0.823 67 A CB -0.594 18.427 19.000 0.034 0.000 0.846 67 A HN 0.405 nan 8.150 nan 0.000 0.486 68 M N -1.115 118.549 119.600 0.107 0.000 2.818 68 M HA -0.182 4.297 4.480 -0.002 0.000 0.194 68 M C 0.912 177.325 176.300 0.189 0.000 0.586 68 M CA 1.269 56.670 55.300 0.167 0.000 0.664 68 M CB -2.539 30.166 32.600 0.174 0.000 2.418 68 M HN 0.623 nan 8.290 nan 0.000 0.517 69 T N -2.883 111.742 114.554 0.118 0.000 3.105 69 T HA 0.374 4.723 4.350 -0.002 0.000 0.253 69 T C 0.185 174.914 174.700 0.049 0.000 1.047 69 T CA -0.026 62.116 62.100 0.069 0.000 0.944 69 T CB 0.670 69.549 68.868 0.017 0.000 1.016 69 T HN 0.501 nan 8.240 nan 0.000 0.544 70 K N 0.292 120.744 120.400 0.088 0.000 2.557 70 K HA 0.652 4.971 4.320 -0.002 0.000 0.257 70 K C -2.173 174.469 176.600 0.070 0.000 0.933 70 K CA -0.696 55.625 56.287 0.056 0.000 0.820 70 K CB 2.123 34.651 32.500 0.046 0.000 1.330 70 K HN 0.147 nan 8.250 nan 0.000 0.432 71 A N 2.598 125.429 122.820 0.019 0.000 2.455 71 A HA 0.654 4.973 4.320 -0.002 0.000 0.300 71 A C -1.624 176.087 177.584 0.211 0.000 1.040 71 A CA -0.639 51.454 52.037 0.093 0.000 0.697 71 A CB 1.881 20.819 19.000 -0.104 0.000 1.265 71 A HN 0.298 nan 8.150 nan 0.000 0.407 72 V N 2.958 123.039 119.914 0.279 0.000 2.443 72 V HA 0.688 4.807 4.120 -0.002 0.000 0.293 72 V C -1.216 175.082 176.094 0.339 0.000 1.021 72 V CA -0.336 62.080 62.300 0.193 0.000 0.848 72 V CB 0.585 32.475 31.823 0.110 0.000 0.998 72 V HN 0.837 nan 8.190 nan 0.000 0.424 73 F N 4.885 124.938 119.950 0.173 0.000 2.578 73 F HA 0.931 5.457 4.527 -0.002 0.000 0.311 73 F C -2.984 172.954 175.800 0.231 0.000 1.094 73 F CA -3.266 54.848 58.000 0.189 0.000 0.923 73 F CB 1.772 40.898 39.000 0.211 0.000 1.230 73 F HN 0.252 nan 8.300 nan 0.000 0.450 74 P HA 0.301 nan 4.420 nan 0.000 0.284 74 P C -1.031 176.420 177.300 0.253 0.000 1.258 74 P CA -0.399 62.811 63.100 0.183 0.000 0.824 74 P CB 2.402 34.169 31.700 0.113 0.000 1.038 75 L N 2.325 123.693 121.223 0.242 0.000 2.410 75 L HA 0.321 4.660 4.340 -0.002 0.000 0.273 75 L C 0.218 177.173 176.870 0.141 0.000 1.152 75 L CA 1.085 56.073 54.840 0.246 0.000 0.855 75 L CB -0.043 42.171 42.059 0.258 0.000 1.129 75 L HN 0.651 nan 8.230 nan 0.000 0.463 76 S N 2.690 118.458 115.700 0.114 0.000 2.880 76 S HA 0.551 5.020 4.470 -0.002 0.000 0.308 76 S C 0.209 174.838 174.600 0.049 0.000 1.195 76 S CA -0.797 57.447 58.200 0.073 0.000 0.866 76 S CB 0.948 64.191 63.200 0.072 0.000 1.254 76 S HN 0.588 nan 8.310 nan 0.000 0.571 77 N N 0.260 118.980 118.700 0.034 0.000 2.415 77 N HA 0.221 4.959 4.740 -0.002 0.000 0.174 77 N C 0.724 176.244 175.510 0.017 0.000 1.048 77 N CA 0.818 53.881 53.050 0.022 0.000 0.895 77 N CB -0.059 38.438 38.487 0.016 0.000 1.036 77 N HN 0.776 nan 8.380 nan 0.000 0.449 78 G N -0.203 108.610 108.800 0.022 0.000 2.461 78 G HA2 0.406 4.365 3.960 -0.002 0.000 0.329 78 G HA3 0.406 4.365 3.960 -0.002 0.000 0.329 78 G C -1.000 173.912 174.900 0.020 0.000 1.170 78 G CA -0.209 44.901 45.100 0.017 0.000 0.935 78 G HN 0.012 nan 8.290 nan 0.000 0.492 79 S N -0.544 115.160 115.700 0.007 0.000 2.456 79 S HA 0.583 5.051 4.470 -0.002 0.000 0.316 79 S C 0.795 175.393 174.600 -0.003 0.000 1.089 79 S CA -0.351 57.848 58.200 -0.002 0.000 1.101 79 S CB 0.622 63.806 63.200 -0.026 0.000 0.995 79 S HN 0.991 nan 8.310 nan 0.000 0.468 80 S N 4.385 120.089 115.700 0.007 0.000 2.477 80 S HA 0.668 5.137 4.470 -0.002 0.000 0.261 80 S C 1.143 175.725 174.600 -0.030 0.000 1.197 80 S CA -0.113 58.091 58.200 0.006 0.000 1.015 80 S CB -0.345 62.879 63.200 0.040 0.000 1.077 80 S HN 0.834 nan 8.310 nan 0.000 0.505 81 G N -0.029 108.753 108.800 -0.030 0.000 2.606 81 G HA2 0.441 4.399 3.960 -0.002 0.000 0.213 81 G HA3 0.441 4.399 3.960 -0.002 0.000 0.213 81 G C 0.733 175.562 174.900 -0.119 0.000 2.020 81 G CA -0.145 44.916 45.100 -0.066 0.000 0.814 81 G HN 1.067 nan 8.290 nan 0.000 0.685 82 G N -0.132 108.622 108.800 -0.077 0.000 2.515 82 G HA2 0.290 4.249 3.960 -0.002 0.000 0.290 82 G HA3 0.290 4.249 3.960 -0.002 0.000 0.290 82 G C -0.481 174.392 174.900 -0.045 0.000 0.795 82 G CA -0.013 45.026 45.100 -0.101 0.000 1.866 82 G HN 0.519 nan 8.290 nan 0.000 0.476 83 W N -0.340 120.777 121.300 -0.306 0.000 3.079 83 W HA -0.086 4.573 4.660 -0.002 0.000 0.460 83 W C 0.509 176.512 176.519 -0.860 0.000 1.854 83 W CA 0.551 57.446 57.345 -0.751 0.000 0.459 83 W CB -1.522 27.390 29.460 -0.914 0.000 2.859 83 W HN 1.119 nan 8.180 nan 0.000 0.416 84 S N 1.136 116.497 115.700 -0.564 0.000 2.570 84 S HA 0.979 5.448 4.470 -0.002 0.000 0.270 84 S C -0.831 173.802 174.600 0.054 0.000 1.149 84 S CA -0.775 57.351 58.200 -0.123 0.000 0.837 84 S CB 2.332 65.495 63.200 -0.061 0.000 1.124 84 S HN 1.530 nan 8.310 nan 0.000 0.465 85 A N 1.286 124.247 122.820 0.236 0.000 2.375 85 A HA 0.745 5.064 4.320 -0.002 0.000 0.295 85 A C -1.106 176.507 177.584 0.049 0.000 1.066 85 A CA -0.715 51.357 52.037 0.059 0.000 0.722 85 A CB 1.293 20.282 19.000 -0.018 0.000 1.206 85 A HN 1.047 nan 8.150 nan 0.000 0.435 86 V N 3.210 123.110 119.914 -0.023 0.000 2.417 86 V HA 0.361 4.480 4.120 -0.002 0.000 0.291 86 V C -0.391 175.701 176.094 -0.004 0.000 1.024 86 V CA -0.589 61.711 62.300 -0.001 0.000 0.861 86 V CB 1.526 33.338 31.823 -0.019 0.000 0.985 86 V HN 0.825 nan 8.190 nan 0.000 0.436 87 L N 5.229 126.464 121.223 0.021 0.000 2.342 87 L HA 0.324 4.663 4.340 -0.002 0.000 0.285 87 L C 1.073 177.944 176.870 0.002 0.000 1.095 87 L CA 0.847 55.698 54.840 0.019 0.000 0.843 87 L CB 0.819 42.898 42.059 0.033 0.000 1.201 87 L HN 0.734 nan 8.230 nan 0.000 0.445 88 Q N 4.049 123.843 119.800 -0.010 0.000 2.302 88 Q HA 0.421 4.760 4.340 -0.002 0.000 0.202 88 Q C 0.022 176.014 176.000 -0.013 0.000 0.936 88 Q CA 0.743 56.538 55.803 -0.014 0.000 0.886 88 Q CB 0.402 29.127 28.738 -0.022 0.000 0.986 88 Q HN 0.789 nan 8.270 nan 0.000 0.487 89 A N -0.041 122.771 122.820 -0.014 0.000 2.605 89 A HA 0.588 4.907 4.320 -0.002 0.000 0.294 89 A C -1.287 176.289 177.584 -0.013 0.000 1.062 89 A CA -0.614 51.414 52.037 -0.014 0.000 0.682 89 A CB 1.832 20.819 19.000 -0.022 0.000 1.278 89 A HN -0.049 nan 8.150 nan 0.000 0.410 90 S N 0.941 116.635 115.700 -0.011 0.000 2.707 90 S HA 0.565 5.034 4.470 -0.002 0.000 0.312 90 S C -0.930 173.662 174.600 -0.013 0.000 1.116 90 S CA -0.482 57.711 58.200 -0.011 0.000 1.078 90 S CB 0.822 64.019 63.200 -0.006 0.000 0.997 90 S HN 0.625 nan 8.310 nan 0.000 0.477 91 N N 1.693 120.383 118.700 -0.016 0.000 2.491 91 N HA 0.632 5.371 4.740 -0.002 0.000 0.274 91 N C 0.694 176.195 175.510 -0.016 0.000 1.023 91 N CA -0.179 52.861 53.050 -0.017 0.000 0.902 91 N CB 1.710 40.185 38.487 -0.020 0.000 1.267 91 N HN 0.731 nan 8.380 nan 0.000 0.503 92 G N 2.495 111.287 108.800 -0.014 0.000 2.596 92 G HA2 -0.398 3.561 3.960 -0.002 0.000 0.304 92 G HA3 -0.398 3.561 3.960 -0.002 0.000 0.304 92 G C 0.340 175.231 174.900 -0.014 0.000 1.189 92 G CA 0.176 45.268 45.100 -0.013 0.000 0.986 92 G HN 0.568 nan 8.290 nan 0.000 0.548 93 N N 1.296 119.987 118.700 -0.016 0.000 2.203 93 N HA 0.197 4.936 4.740 -0.002 0.000 0.207 93 N C 0.160 175.657 175.510 -0.022 0.000 1.130 93 N CA 0.829 53.868 53.050 -0.018 0.000 0.861 93 N CB 0.620 39.096 38.487 -0.019 0.000 1.005 93 N HN 0.491 nan 8.380 nan 0.000 0.507 94 T N 1.810 116.350 114.554 -0.023 0.000 2.743 94 T HA 0.421 4.770 4.350 -0.002 0.000 0.293 94 T C 0.357 175.043 174.700 -0.025 0.000 0.945 94 T CA -0.308 61.775 62.100 -0.028 0.000 1.030 94 T CB 1.119 69.968 68.868 -0.032 0.000 0.912 94 T HN -0.046 nan 8.240 nan 0.000 0.483 95 L N 3.485 124.694 121.223 -0.023 0.000 2.272 95 L HA 0.394 4.733 4.340 -0.002 0.000 0.289 95 L C 0.513 177.371 176.870 -0.021 0.000 1.032 95 L CA -0.775 54.057 54.840 -0.013 0.000 0.810 95 L CB 1.136 43.199 42.059 0.006 0.000 1.205 95 L HN 0.537 nan 8.230 nan 0.000 0.422 96 T N 4.914 119.453 114.554 -0.025 0.000 2.728 96 T HA 0.556 4.905 4.350 -0.002 0.000 0.296 96 T C 0.021 174.702 174.700 -0.033 0.000 0.940 96 T CA -0.041 62.035 62.100 -0.039 0.000 1.013 96 T CB 0.347 69.188 68.868 -0.046 0.000 0.912 96 T HN 0.278 nan 8.240 nan 0.000 0.484 97 I N 2.131 122.673 120.570 -0.046 0.000 2.509 97 I HA 0.416 4.585 4.170 -0.002 0.000 0.293 97 I C 0.233 176.269 176.117 -0.135 0.000 1.020 97 I CA -0.820 60.439 61.300 -0.068 0.000 1.088 97 I CB 2.112 40.086 38.000 -0.045 0.000 1.267 97 I HN 0.446 nan 8.210 nan 0.000 0.430 98 S N 6.751 122.361 115.700 -0.150 0.000 2.448 98 S HA 0.627 5.096 4.470 -0.002 0.000 0.320 98 S C -0.599 173.812 174.600 -0.314 0.000 1.071 98 S CA -0.488 57.594 58.200 -0.198 0.000 1.113 98 S CB 0.166 63.303 63.200 -0.106 0.000 0.972 98 S HN 0.398 nan 8.310 nan 0.000 0.465 99 I N 3.490 123.708 120.570 -0.587 0.000 2.437 99 I HA 0.499 4.668 4.170 -0.002 0.000 0.298 99 I C 0.329 176.073 176.117 -0.623 0.000 0.984 99 I CA -0.438 60.456 61.300 -0.677 0.000 1.214 99 I CB 2.020 39.423 38.000 -0.995 0.000 1.365 99 I HN 0.519 nan 8.210 nan 0.000 0.469 100 S N 3.063 118.562 115.700 -0.334 0.000 2.595 100 S HA 0.759 5.228 4.470 -0.002 0.000 0.281 100 S C -0.772 173.572 174.600 -0.427 0.000 1.117 100 S CA -0.501 57.547 58.200 -0.254 0.000 0.873 100 S CB 1.698 64.774 63.200 -0.207 0.000 1.108 100 S HN 0.726 nan 8.310 nan 0.000 0.477 101 S N 2.336 117.668 115.700 -0.612 0.000 2.634 101 S HA 0.791 5.260 4.470 -0.002 0.000 0.296 101 S C -3.168 170.952 174.600 -0.799 0.000 1.104 101 S CA -1.499 55.884 58.200 -1.362 0.000 0.920 101 S CB 1.673 63.823 63.200 -1.751 0.000 1.111 101 S HN 0.576 nan 8.310 nan 0.000 0.493 102 P HA 0.276 nan 4.420 nan 0.000 0.275 102 P C 0.440 177.600 177.300 -0.233 0.000 1.228 102 P CA -0.344 62.533 63.100 -0.372 0.000 0.786 102 P CB 0.983 32.527 31.700 -0.259 0.000 0.927 103 A N 2.640 125.388 122.820 -0.119 0.000 2.172 103 A HA -0.084 4.235 4.320 -0.002 0.000 0.216 103 A C 1.653 179.246 177.584 0.016 0.000 1.154 103 A CA 1.550 53.566 52.037 -0.036 0.000 0.701 103 A CB -1.065 17.930 19.000 -0.008 0.000 0.789 103 A HN 0.625 nan 8.150 nan 0.000 0.465 104 S N -1.084 114.618 115.700 0.002 0.000 2.575 104 S HA 0.620 5.089 4.470 -0.002 0.000 0.237 104 S C 0.587 175.225 174.600 0.065 0.000 0.975 104 S CA 0.141 58.372 58.200 0.052 0.000 0.960 104 S CB -0.334 62.896 63.200 0.050 0.000 0.822 104 S HN 0.719 nan 8.310 nan 0.000 0.472 105 A N 2.664 125.506 122.820 0.037 0.000 2.425 105 A HA 0.598 4.917 4.320 -0.002 0.000 0.249 105 A C -2.597 175.073 177.584 0.144 0.000 1.084 105 A CA -1.369 50.748 52.037 0.134 0.000 0.781 105 A CB -0.327 18.727 19.000 0.091 0.000 1.019 105 A HN 0.312 nan 8.150 nan 0.000 0.490 106 P HA 0.231 nan 4.420 nan 0.000 0.271 106 P C -0.136 177.253 177.300 0.148 0.000 1.216 106 P CA 0.035 63.213 63.100 0.129 0.000 0.776 106 P CB 0.445 32.218 31.700 0.121 0.000 0.881 107 I N -0.599 119.935 120.570 -0.060 0.000 2.970 107 I HA 0.855 5.024 4.170 -0.002 0.000 0.310 107 I C 0.705 176.834 176.117 0.020 0.000 1.010 107 I CA -0.332 60.922 61.300 -0.078 0.000 1.228 107 I CB 0.681 38.428 38.000 -0.423 0.000 1.433 107 I HN 0.608 nan 8.210 nan 0.000 0.573 108 G N 2.565 111.391 108.800 0.044 0.000 2.298 108 G HA2 0.016 3.975 3.960 -0.002 0.000 0.309 108 G HA3 0.016 3.975 3.960 -0.002 0.000 0.309 108 G C -1.073 173.819 174.900 -0.014 0.000 1.279 108 G CA -1.086 44.001 45.100 -0.022 0.000 1.042 108 G HN 0.819 nan 8.290 nan 0.000 0.480 109 R N -0.350 120.073 120.500 -0.129 0.000 2.308 109 R HA 0.577 4.916 4.340 -0.002 0.000 0.305 109 R C -1.033 175.087 176.300 -0.300 0.000 1.053 109 R CA -0.130 55.866 56.100 -0.174 0.000 0.957 109 R CB 0.748 30.949 30.300 -0.166 0.000 1.022 109 R HN 0.451 nan 8.270 nan 0.000 0.461 110 Y N -0.104 119.846 120.300 -0.583 0.000 2.562 110 Y HA 0.356 4.905 4.550 -0.002 0.000 0.343 110 Y C 0.458 176.042 175.900 -0.527 0.000 1.025 110 Y CA -0.580 57.130 58.100 -0.650 0.000 1.082 110 Y CB 2.526 40.286 38.460 -1.166 0.000 1.264 110 Y HN 0.426 nan 8.280 nan 0.000 0.478 111 T N 3.457 117.952 114.554 -0.098 0.000 2.885 111 T HA 0.555 4.904 4.350 -0.002 0.000 0.285 111 T C -1.073 173.735 174.700 0.180 0.000 1.019 111 T CA -0.728 61.381 62.100 0.015 0.000 1.010 111 T CB 0.966 69.834 68.868 -0.000 0.000 1.022 111 T HN 0.538 nan 8.240 nan 0.000 0.466 112 M N 2.815 122.592 119.600 0.296 0.000 2.259 112 M HA 0.732 5.210 4.480 -0.002 0.000 0.304 112 M C -1.396 175.074 176.300 0.283 0.000 1.019 112 M CA -0.611 54.924 55.300 0.391 0.000 0.922 112 M CB 1.190 34.180 32.600 0.650 0.000 1.600 112 M HN 0.759 nan 8.290 nan 0.000 0.433 113 A N 3.899 126.824 122.820 0.176 0.000 2.430 113 A HA 0.921 5.240 4.320 -0.002 0.000 0.300 113 A C -2.095 175.476 177.584 -0.022 0.000 1.124 113 A CA -0.728 51.355 52.037 0.076 0.000 0.766 113 A CB 1.864 20.880 19.000 0.028 0.000 1.328 113 A HN 0.798 nan 8.150 nan 0.000 0.424 114 L N 0.115 121.272 121.223 -0.110 0.000 2.385 114 L HA 0.560 4.899 4.340 -0.002 0.000 0.273 114 L C -0.400 176.333 176.870 -0.229 0.000 0.990 114 L CA -0.063 54.612 54.840 -0.275 0.000 0.821 114 L CB 2.004 43.852 42.059 -0.352 0.000 1.279 114 L HN 0.815 nan 8.230 nan 0.000 0.412 115 Q N 4.682 124.331 119.800 -0.252 0.000 2.307 115 Q HA 0.626 4.965 4.340 -0.002 0.000 0.262 115 Q C -1.547 174.302 176.000 -0.251 0.000 0.961 115 Q CA -0.538 55.119 55.803 -0.244 0.000 0.882 115 Q CB 1.387 29.995 28.738 -0.216 0.000 1.264 115 Q HN 0.737 nan 8.270 nan 0.000 0.446 116 I N 3.847 124.247 120.570 -0.283 0.000 2.406 116 I HA 0.309 4.478 4.170 -0.002 0.000 0.290 116 I C -0.996 174.964 176.117 -0.262 0.000 0.999 116 I CA -0.698 60.487 61.300 -0.192 0.000 1.124 116 I CB 1.182 39.099 38.000 -0.139 0.000 1.289 116 I HN 0.578 nan 8.210 nan 0.000 0.441 117 F N 4.698 124.608 119.950 -0.067 0.000 2.313 117 F HA 0.429 4.955 4.527 -0.002 0.000 0.369 117 F C 0.545 176.321 175.800 -0.039 0.000 1.109 117 F CA -0.168 57.804 58.000 -0.046 0.000 1.132 117 F CB 1.300 40.277 39.000 -0.038 0.000 1.291 117 F HN 0.320 nan 8.300 nan 0.000 0.496 118 S N 3.053 118.802 115.700 0.082 0.000 2.614 118 S HA 0.325 4.794 4.470 -0.002 0.000 0.275 118 S C -0.694 173.924 174.600 0.030 0.000 1.161 118 S CA -0.552 57.677 58.200 0.048 0.000 0.969 118 S CB 0.820 64.026 63.200 0.010 0.000 1.059 118 S HN 0.694 nan 8.310 nan 0.000 0.482 119 Q N 2.659 122.478 119.800 0.032 0.000 2.463 119 Q HA -0.205 4.134 4.340 -0.002 0.000 0.299 119 Q C 0.898 176.912 176.000 0.023 0.000 1.353 119 Q CA 0.848 56.663 55.803 0.021 0.000 0.828 119 Q CB -2.078 26.664 28.738 0.008 0.000 1.157 119 Q HN 1.732 nan 8.270 nan 0.000 0.436 120 G N -2.220 106.605 108.800 0.042 0.000 2.168 120 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.263 120 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.263 120 G C 0.347 175.269 174.900 0.038 0.000 0.977 120 G CA 0.318 45.444 45.100 0.043 0.000 0.659 120 G HN 1.008 nan 8.290 nan 0.000 0.533 121 G N -1.175 107.640 108.800 0.025 0.000 3.042 121 G HA2 0.792 4.751 3.960 -0.002 0.000 0.278 121 G HA3 0.792 4.751 3.960 -0.002 0.000 0.278 121 G C -0.937 173.921 174.900 -0.070 0.000 1.371 121 G CA -0.946 44.145 45.100 -0.015 0.000 1.009 121 G HN 0.706 nan 8.290 nan 0.000 0.523 122 I N 0.732 121.214 120.570 -0.146 0.000 2.607 122 I HA 0.424 4.592 4.170 -0.002 0.000 0.290 122 I C -0.205 175.772 176.117 -0.234 0.000 1.129 122 I CA -0.724 60.389 61.300 -0.311 0.000 1.042 122 I CB 2.506 40.249 38.000 -0.428 0.000 1.242 122 I HN 0.644 nan 8.210 nan 0.000 0.421 123 S N 3.314 118.865 115.700 -0.248 0.000 2.634 123 S HA 0.822 5.291 4.470 -0.002 0.000 0.296 123 S C -0.787 173.700 174.600 -0.189 0.000 1.104 123 S CA -0.724 57.373 58.200 -0.172 0.000 0.920 123 S CB 2.298 65.423 63.200 -0.126 0.000 1.111 123 S HN 0.543 nan 8.310 nan 0.000 0.493 124 S N -0.326 115.292 115.700 -0.136 0.000 2.541 124 S HA 0.786 5.255 4.470 -0.002 0.000 0.271 124 S C -1.770 172.779 174.600 -0.085 0.000 1.133 124 S CA -0.497 57.628 58.200 -0.125 0.000 0.876 124 S CB 1.537 64.668 63.200 -0.114 0.000 1.105 124 S HN 1.508 nan 8.310 nan 0.000 0.470 125 V N 4.311 124.180 119.914 -0.075 0.000 2.969 125 V HA 0.572 4.691 4.120 -0.002 0.000 0.304 125 V C -1.013 175.075 176.094 -0.009 0.000 1.192 125 V CA -0.812 61.464 62.300 -0.040 0.000 0.962 125 V CB 2.003 33.800 31.823 -0.042 0.000 1.045 125 V HN 0.949 nan 8.190 nan 0.000 0.428 126 K N 4.879 125.293 120.400 0.023 0.000 2.322 126 K HA 0.426 4.745 4.320 -0.002 0.000 0.283 126 K C 0.259 176.930 176.600 0.118 0.000 1.042 126 K CA -0.364 55.965 56.287 0.070 0.000 0.958 126 K CB 1.158 33.697 32.500 0.065 0.000 0.984 126 K HN 0.783 nan 8.250 nan 0.000 0.473 127 L N 2.555 123.901 121.223 0.205 0.000 2.253 127 L HA 0.271 4.610 4.340 -0.002 0.000 0.205 127 L C 1.162 178.348 176.870 0.526 0.000 1.078 127 L CA 0.538 55.563 54.840 0.309 0.000 0.805 127 L CB 0.204 42.468 42.059 0.342 0.000 0.963 127 L HN 0.995 nan 8.230 nan 0.000 0.459 128 G N -0.613 108.470 108.800 0.472 0.000 2.344 128 G HA2 0.294 4.253 3.960 -0.002 0.000 0.282 128 G HA3 0.294 4.253 3.960 -0.002 0.000 0.282 128 G C -1.220 173.759 174.900 0.130 0.000 1.281 128 G CA 0.045 45.334 45.100 0.315 0.000 0.877 128 G HN 0.002 nan 8.290 nan 0.000 0.494 129 T N -1.977 112.539 114.554 -0.064 0.000 2.901 129 T HA 0.911 5.259 4.350 -0.002 0.000 0.293 129 T C -0.723 173.905 174.700 -0.119 0.000 1.084 129 T CA -0.218 61.836 62.100 -0.076 0.000 1.008 129 T CB 2.193 71.001 68.868 -0.099 0.000 1.170 129 T HN 2.016 nan 8.240 nan 0.000 0.509 130 F N -1.082 118.745 119.950 -0.204 0.000 2.741 130 F HA 0.826 5.351 4.527 -0.002 0.000 0.313 130 F C -2.074 173.662 175.800 -0.108 0.000 1.153 130 F CA -1.806 56.043 58.000 -0.251 0.000 0.931 130 F CB 0.938 39.717 39.000 -0.369 0.000 1.335 130 F HN 0.614 nan 8.300 nan 0.000 0.460 131 I N 2.803 123.377 120.570 0.006 0.000 2.404 131 I HA 0.439 4.607 4.170 -0.002 0.000 0.293 131 I C -1.108 175.055 176.117 0.076 0.000 0.992 131 I CA -0.838 60.441 61.300 -0.034 0.000 1.149 131 I CB 1.925 39.868 38.000 -0.094 0.000 1.315 131 I HN 0.517 nan 8.210 nan 0.000 0.446 132 L N 7.137 128.414 121.223 0.090 0.000 2.333 132 L HA 0.603 4.942 4.340 -0.002 0.000 0.280 132 L C -0.813 176.076 176.870 0.031 0.000 1.004 132 L CA -0.542 54.357 54.840 0.098 0.000 0.820 132 L CB 1.646 43.769 42.059 0.106 0.000 1.247 132 L HN 0.518 nan 8.230 nan 0.000 0.416 133 L N 2.204 123.447 121.223 0.032 0.000 2.271 133 L HA 0.532 4.871 4.340 -0.002 0.000 0.265 133 L C -0.634 176.254 176.870 0.030 0.000 1.013 133 L CA -0.891 53.962 54.840 0.022 0.000 0.820 133 L CB 1.590 43.737 42.059 0.146 0.000 1.352 133 L HN 0.263 nan 8.230 nan 0.000 0.443 134 F N 0.449 120.512 119.950 0.188 0.000 2.496 134 F HA 0.107 4.633 4.527 -0.002 0.000 0.344 134 F C 0.832 176.788 175.800 0.259 0.000 1.155 134 F CA 0.124 58.240 58.000 0.193 0.000 1.302 134 F CB 0.188 39.293 39.000 0.176 0.000 1.159 134 F HN 0.326 nan 8.300 nan 0.000 0.595 135 N N 3.242 122.220 118.700 0.465 0.000 2.800 135 N HA 0.303 5.042 4.740 -0.002 0.000 0.240 135 N C -2.313 173.479 175.510 0.469 0.000 1.096 135 N CA -2.112 51.216 53.050 0.463 0.000 0.877 135 N CB 1.101 39.786 38.487 0.331 0.000 1.138 135 N HN 0.089 nan 8.380 nan 0.000 0.509 136 P HA 0.018 nan 4.420 nan 0.000 0.228 136 P C 0.920 178.288 177.300 0.113 0.000 1.151 136 P CA 0.739 63.928 63.100 0.148 0.000 0.770 136 P CB 0.146 31.744 31.700 -0.171 0.000 0.786 137 W N -1.336 120.093 121.300 0.216 0.000 3.003 137 W HA 0.209 4.868 4.660 -0.002 0.000 0.257 137 W C 0.492 177.200 176.519 0.315 0.000 1.308 137 W CA -0.035 57.440 57.345 0.216 0.000 1.529 137 W CB 0.185 29.691 29.460 0.077 0.000 1.115 137 W HN -0.065 nan 8.180 nan 0.000 0.659 138 L N 3.329 124.837 121.223 0.474 0.000 2.260 138 L HA 0.026 4.365 4.340 -0.002 0.000 0.289 138 L C 1.363 178.164 176.870 -0.116 0.000 1.057 138 L CA -0.176 54.773 54.840 0.182 0.000 0.811 138 L CB 0.967 43.114 42.059 0.147 0.000 1.184 138 L HN -0.037 nan 8.230 nan 0.000 0.429 139 N N 3.682 121.977 118.700 -0.675 0.000 2.192 139 N HA -0.205 4.533 4.740 -0.002 0.000 0.188 139 N C 1.084 176.268 175.510 -0.543 0.000 1.013 139 N CA 1.904 54.126 53.050 -1.380 0.000 0.863 139 N CB -0.632 37.303 38.487 -0.920 0.000 0.990 139 N HN 0.482 nan 8.380 nan 0.000 0.430 140 V N -4.064 115.708 119.914 -0.235 0.000 3.623 140 V HA 0.133 4.252 4.120 -0.002 0.000 0.271 140 V C 0.432 176.533 176.094 0.013 0.000 1.248 140 V CA -0.059 62.189 62.300 -0.087 0.000 1.156 140 V CB -0.793 30.991 31.823 -0.065 0.000 0.870 140 V HN 0.051 nan 8.190 nan 0.000 0.453 141 D N 1.459 121.903 120.400 0.074 0.000 2.302 141 D HA 0.173 4.812 4.640 -0.002 0.000 0.248 141 D C 1.548 177.969 176.300 0.201 0.000 1.094 141 D CA 0.861 54.961 54.000 0.167 0.000 0.897 141 D CB 2.238 43.183 40.800 0.242 0.000 1.200 141 D HN 0.364 nan 8.370 nan 0.000 0.429 142 S N 1.728 117.533 115.700 0.175 0.000 2.419 142 S HA -0.183 4.286 4.470 -0.002 0.000 0.235 142 S C 1.749 176.452 174.600 0.172 0.000 1.019 142 S CA 1.245 59.532 58.200 0.145 0.000 0.982 142 S CB -0.567 62.695 63.200 0.104 0.000 0.789 142 S HN 0.453 nan 8.310 nan 0.000 0.490 143 V N -2.095 117.944 119.914 0.209 0.000 3.577 143 V HA 0.441 4.559 4.120 -0.002 0.000 0.294 143 V C 0.511 176.803 176.094 0.329 0.000 1.317 143 V CA -0.945 61.498 62.300 0.238 0.000 1.169 143 V CB -1.769 30.139 31.823 0.141 0.000 1.011 143 V HN 0.328 nan 8.190 nan 0.000 0.426 144 F N 2.573 122.631 119.950 0.181 0.000 2.623 144 F HA 0.334 4.860 4.527 -0.002 0.000 0.383 144 F C 0.136 176.072 175.800 0.227 0.000 1.077 144 F CA 0.001 58.094 58.000 0.154 0.000 1.268 144 F CB 0.481 39.553 39.000 0.119 0.000 1.053 144 F HN 0.276 nan 8.300 nan 0.000 0.571 145 M N 6.998 126.118 119.600 -0.800 0.000 2.060 145 M HA 0.320 4.799 4.480 -0.002 0.000 0.275 145 M C 0.645 176.257 176.300 -1.146 0.000 0.919 145 M CA -0.210 54.547 55.300 -0.906 0.000 0.970 145 M CB 1.157 33.270 32.600 -0.812 0.000 1.670 145 M HN 0.755 nan 8.290 nan 0.000 0.440 146 G N 3.192 111.227 108.800 -1.275 0.000 2.471 146 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.219 146 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.219 146 G C 0.568 175.289 174.900 -0.298 0.000 1.125 146 G CA 0.085 44.777 45.100 -0.680 0.000 0.775 146 G HN 0.694 nan 8.290 nan 0.000 0.548 147 N N -0.051 118.453 118.700 -0.326 0.000 2.430 147 N HA 0.035 4.774 4.740 -0.002 0.000 0.265 147 N C 1.029 176.418 175.510 -0.201 0.000 1.100 147 N CA -0.283 52.650 53.050 -0.195 0.000 0.961 147 N CB 0.938 39.311 38.487 -0.191 0.000 1.075 147 N HN 0.248 nan 8.380 nan 0.000 0.478 148 H N 4.561 123.530 119.070 -0.167 0.000 2.267 148 H HA -0.123 4.432 4.556 -0.002 0.000 0.297 148 H C 1.769 177.001 175.328 -0.160 0.000 1.080 148 H CA 2.815 58.776 56.048 -0.146 0.000 1.278 148 H CB 0.007 29.732 29.762 -0.061 0.000 1.365 148 H HN 0.731 nan 8.280 nan 0.000 0.489 149 A N 0.657 123.378 122.820 -0.166 0.000 1.892 149 A HA -0.246 4.073 4.320 -0.002 0.000 0.218 149 A C 2.290 179.674 177.584 -0.333 0.000 1.188 149 A CA 2.093 54.000 52.037 -0.218 0.000 0.631 149 A CB -0.663 18.283 19.000 -0.090 0.000 0.822 149 A HN 0.729 nan 8.150 nan 0.000 0.447 150 E N -1.024 118.983 120.200 -0.323 0.000 2.077 150 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 150 E C 2.343 178.670 176.600 -0.456 0.000 0.989 150 E CA 1.075 57.220 56.400 -0.424 0.000 0.800 150 E CB -0.211 29.353 29.700 -0.228 0.000 0.746 150 E HN 0.586 nan 8.360 nan 0.000 0.452 151 R N 1.011 121.252 120.500 -0.431 0.000 2.091 151 R HA -0.183 4.156 4.340 -0.002 0.000 0.238 151 R C 1.991 178.057 176.300 -0.390 0.000 1.136 151 R CA 1.317 57.136 56.100 -0.469 0.000 0.959 151 R CB 0.044 29.934 30.300 -0.683 0.000 0.856 151 R HN 0.088 nan 8.270 nan 0.000 0.437 152 E N 0.504 120.456 120.200 -0.413 0.000 2.085 152 E HA -0.232 4.116 4.350 -0.002 0.000 0.194 152 E C 1.803 178.290 176.600 -0.189 0.000 0.994 152 E CA 1.454 57.693 56.400 -0.268 0.000 0.801 152 E CB -0.128 29.376 29.700 -0.327 0.000 0.743 152 E HN 0.404 nan 8.360 nan 0.000 0.453 153 E N -0.030 119.979 120.200 -0.319 0.000 2.046 153 E HA -0.147 4.202 4.350 -0.002 0.000 0.190 153 E C 1.523 177.990 176.600 -0.222 0.000 0.982 153 E CA 1.010 57.211 56.400 -0.331 0.000 0.800 153 E CB -0.245 29.093 29.700 -0.603 0.000 0.756 153 E HN 0.244 nan 8.360 nan 0.000 0.449 154 Y N -0.931 119.337 120.300 -0.054 0.000 2.546 154 Y HA 0.166 4.714 4.550 -0.002 0.000 0.287 154 Y C 1.632 177.510 175.900 -0.036 0.000 1.158 154 Y CA 0.160 58.247 58.100 -0.022 0.000 1.307 154 Y CB 0.367 38.853 38.460 0.044 0.000 1.036 154 Y HN -0.015 nan 8.280 nan 0.000 0.532 155 V N -1.706 118.250 119.914 0.068 0.000 3.102 155 V HA -0.013 4.105 4.120 -0.002 0.000 0.225 155 V C 1.635 177.836 176.094 0.177 0.000 1.301 155 V CA 0.438 62.798 62.300 0.100 0.000 1.308 155 V CB 0.129 31.973 31.823 0.035 0.000 1.129 155 V HN 0.027 nan 8.190 nan 0.000 0.502 156 Q N 0.373 120.285 119.800 0.186 0.000 2.424 156 Q HA 0.100 4.439 4.340 -0.002 0.000 0.204 156 Q C 0.693 176.891 176.000 0.330 0.000 0.933 156 Q CA 0.266 56.266 55.803 0.328 0.000 0.929 156 Q CB 0.205 29.081 28.738 0.229 0.000 1.037 156 Q HN 0.529 nan 8.270 nan 0.000 0.511 157 E N 2.690 123.003 120.200 0.188 0.000 2.223 157 E HA 0.005 4.354 4.350 -0.002 0.000 0.282 157 E C -0.200 176.555 176.600 0.258 0.000 1.046 157 E CA -0.134 56.388 56.400 0.203 0.000 0.857 157 E CB 0.624 30.403 29.700 0.132 0.000 1.055 157 E HN 0.078 nan 8.360 nan 0.000 0.409 158 D N 2.820 123.400 120.400 0.300 0.000 2.368 158 D HA 0.183 4.821 4.640 -0.002 0.000 0.218 158 D C -0.357 176.118 176.300 0.292 0.000 1.112 158 D CA -0.324 53.841 54.000 0.275 0.000 0.834 158 D CB 0.203 41.114 40.800 0.185 0.000 0.953 158 D HN 0.246 nan 8.370 nan 0.000 0.505 159 A N -0.120 122.856 122.820 0.260 0.000 2.356 159 A HA 0.763 5.082 4.320 -0.002 0.000 0.310 159 A C 0.121 177.770 177.584 0.108 0.000 1.075 159 A CA -0.283 51.802 52.037 0.080 0.000 0.746 159 A CB 1.810 20.839 19.000 0.049 0.000 1.221 159 A HN 0.225 nan 8.150 nan 0.000 0.443 160 G N 0.428 109.133 108.800 -0.158 0.000 2.798 160 G HA2 0.660 4.618 3.960 -0.002 0.000 0.286 160 G HA3 0.660 4.618 3.960 -0.002 0.000 0.286 160 G C -1.392 173.451 174.900 -0.095 0.000 1.389 160 G CA -0.541 44.549 45.100 -0.016 0.000 0.894 160 G HN 0.522 nan 8.290 nan 0.000 0.488 161 I N 0.545 121.083 120.570 -0.052 0.000 2.533 161 I HA 0.448 4.617 4.170 -0.002 0.000 0.290 161 I C -0.775 175.171 176.117 -0.284 0.000 1.056 161 I CA -0.581 60.587 61.300 -0.220 0.000 1.057 161 I CB 1.664 39.483 38.000 -0.302 0.000 1.240 161 I HN 0.312 nan 8.210 nan 0.000 0.423 162 I N 5.642 125.993 120.570 -0.365 0.000 2.436 162 I HA 0.363 4.532 4.170 -0.002 0.000 0.289 162 I C -0.712 175.093 176.117 -0.521 0.000 1.010 162 I CA -0.612 60.494 61.300 -0.322 0.000 1.098 162 I CB 1.679 39.557 38.000 -0.203 0.000 1.266 162 I HN 0.239 nan 8.210 nan 0.000 0.434 163 F N 6.147 125.978 119.950 -0.197 0.000 2.396 163 F HA 0.484 5.010 4.527 -0.002 0.000 0.343 163 F C 0.672 176.190 175.800 -0.469 0.000 1.104 163 F CA -0.259 57.614 58.000 -0.212 0.000 1.161 163 F CB 1.106 40.072 39.000 -0.056 0.000 1.146 163 F HN 0.216 nan 8.300 nan 0.000 0.522 164 V N -0.390 119.294 119.914 -0.384 0.000 3.703 164 V HA 1.039 5.158 4.120 -0.002 0.000 0.306 164 V C 0.402 176.273 176.094 -0.372 0.000 1.407 164 V CA -0.248 61.444 62.300 -1.014 0.000 0.974 164 V CB 0.843 32.059 31.823 -1.012 0.000 1.188 164 V HN 1.254 nan 8.190 nan 0.000 0.477 165 G N 0.528 109.183 108.800 -0.241 0.000 2.554 165 G HA2 0.174 4.133 3.960 -0.002 0.000 0.253 165 G HA3 0.174 4.133 3.960 -0.002 0.000 0.253 165 G C 0.155 175.351 174.900 0.494 0.000 1.172 165 G CA 0.681 45.887 45.100 0.176 0.000 0.950 165 G HN 2.668 nan 8.290 nan 0.000 0.557 166 S N -2.673 113.260 115.700 0.387 0.000 2.625 166 S HA 0.642 5.111 4.470 -0.002 0.000 0.271 166 S C 0.797 175.432 174.600 0.057 0.000 1.161 166 S CA 0.976 59.426 58.200 0.416 0.000 0.820 166 S CB 1.262 64.635 63.200 0.288 0.000 1.137 166 S HN 2.022 nan 8.310 nan 0.000 0.470 167 T N 0.984 115.600 114.554 0.102 0.000 2.849 167 T HA -0.091 4.258 4.350 -0.002 0.000 0.270 167 T C 1.015 175.677 174.700 -0.063 0.000 1.066 167 T CA 2.021 64.089 62.100 -0.054 0.000 1.130 167 T CB -0.937 68.036 68.868 0.176 0.000 0.864 167 T HN 0.583 nan 8.240 nan 0.000 0.481 168 N N 0.630 119.324 118.700 -0.011 0.000 2.392 168 N HA 0.095 4.834 4.740 -0.002 0.000 0.177 168 N C 0.789 176.254 175.510 -0.075 0.000 1.066 168 N CA 0.315 53.351 53.050 -0.024 0.000 0.895 168 N CB 0.263 38.765 38.487 0.024 0.000 0.988 168 N HN 0.450 nan 8.380 nan 0.000 0.457 169 R N 0.801 121.248 120.500 -0.088 0.000 3.039 169 R HA 0.293 4.632 4.340 -0.002 0.000 0.264 169 R C -1.445 174.796 176.300 -0.099 0.000 1.708 169 R CA -0.260 55.787 56.100 -0.088 0.000 1.134 169 R CB 0.059 30.343 30.300 -0.028 0.000 1.386 169 R HN -0.098 nan 8.270 nan 0.000 0.477 170 I N 3.587 124.038 120.570 -0.198 0.000 2.452 170 I HA 0.300 4.468 4.170 -0.002 0.000 0.287 170 I C 1.007 177.110 176.117 -0.022 0.000 1.079 170 I CA 0.085 61.287 61.300 -0.163 0.000 1.387 170 I CB 1.360 39.167 38.000 -0.322 0.000 1.404 170 I HN 0.674 nan 8.210 nan 0.000 0.522 171 G N 6.669 115.484 108.800 0.025 0.000 2.820 171 G HA2 0.896 4.855 3.960 -0.002 0.000 0.291 171 G HA3 0.896 4.855 3.960 -0.002 0.000 0.291 171 G C -0.796 174.083 174.900 -0.035 0.000 1.323 171 G CA -0.798 44.294 45.100 -0.013 0.000 1.055 171 G HN 0.620 nan 8.290 nan 0.000 0.520 172 M N -0.983 118.528 119.600 -0.149 0.000 2.520 172 M HA 0.732 5.211 4.480 -0.002 0.000 0.280 172 M C -1.416 174.718 176.300 -0.277 0.000 1.232 172 M CA -0.977 54.129 55.300 -0.324 0.000 0.892 172 M CB 2.376 34.688 32.600 -0.480 0.000 1.728 172 M HN 0.612 nan 8.290 nan 0.000 0.475 173 I N -0.717 119.669 120.570 -0.306 0.000 2.730 173 I HA 0.950 5.119 4.170 -0.002 0.000 0.298 173 I C -0.121 175.911 176.117 -0.141 0.000 1.089 173 I CA -0.918 60.269 61.300 -0.189 0.000 1.041 173 I CB 2.174 40.073 38.000 -0.168 0.000 1.235 173 I HN 0.858 nan 8.210 nan 0.000 0.423 174 G N 3.406 112.155 108.800 -0.085 0.000 2.507 174 G HA2 0.349 4.308 3.960 -0.002 0.000 0.271 174 G HA3 0.349 4.308 3.960 -0.002 0.000 0.271 174 G C -1.689 173.222 174.900 0.018 0.000 1.189 174 G CA -0.422 44.634 45.100 -0.073 0.000 0.859 174 G HN 0.782 nan 8.290 nan 0.000 0.542 175 W N 2.134 123.254 121.300 -0.300 0.000 3.097 175 W HA 0.308 4.967 4.660 -0.002 0.000 0.335 175 W C -1.281 174.934 176.519 -0.508 0.000 1.114 175 W CA -0.970 56.156 57.345 -0.365 0.000 1.231 175 W CB 2.050 31.247 29.460 -0.438 0.000 1.388 175 W HN 0.513 nan 8.180 nan 0.000 0.485 176 N N 4.532 122.811 118.700 -0.701 0.000 2.469 176 N HA 0.171 4.910 4.740 -0.002 0.000 0.239 176 N C 0.367 175.695 175.510 -0.302 0.000 1.053 176 N CA -0.088 52.708 53.050 -0.423 0.000 0.937 176 N CB -0.060 38.237 38.487 -0.316 0.000 1.163 176 N HN 0.318 nan 8.380 nan 0.000 0.509 177 F N 2.232 122.235 119.950 0.089 0.000 2.186 177 F HA 0.089 4.615 4.527 -0.002 0.000 0.299 177 F C 2.066 177.874 175.800 0.013 0.000 1.090 177 F CA 0.432 58.517 58.000 0.140 0.000 1.307 177 F CB -0.213 38.857 39.000 0.116 0.000 1.019 177 F HN 0.641 nan 8.300 nan 0.000 0.489 178 G N 1.436 110.317 108.800 0.136 0.000 2.390 178 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.299 178 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.299 178 G C 1.125 176.017 174.900 -0.013 0.000 1.002 178 G CA 0.694 45.824 45.100 0.050 0.000 0.979 178 G HN 0.548 nan 8.290 nan 0.000 0.513 179 Q N -1.061 118.624 119.800 -0.191 0.000 2.364 179 Q HA -0.048 4.291 4.340 -0.002 0.000 0.207 179 Q C 1.623 177.485 176.000 -0.229 0.000 0.970 179 Q CA 1.431 57.081 55.803 -0.256 0.000 0.888 179 Q CB -0.248 28.235 28.738 -0.425 0.000 0.951 179 Q HN 0.621 nan 8.270 nan 0.000 0.469 180 F N 1.469 121.462 119.950 0.072 0.000 2.749 180 F HA 0.277 4.803 4.527 -0.002 0.000 0.300 180 F C 0.730 176.604 175.800 0.123 0.000 1.103 180 F CA -0.490 57.533 58.000 0.039 0.000 1.342 180 F CB 0.043 38.973 39.000 -0.117 0.000 1.098 180 F HN -0.125 nan 8.300 nan 0.000 0.586 181 E N 1.584 121.916 120.200 0.220 0.000 2.404 181 E HA -0.072 4.277 4.350 -0.002 0.000 0.261 181 E C 0.288 176.987 176.600 0.164 0.000 1.074 181 E CA -0.180 56.320 56.400 0.166 0.000 0.917 181 E CB 0.272 30.036 29.700 0.107 0.000 0.965 181 E HN 0.336 nan 8.360 nan 0.000 0.433 182 E N 1.263 121.541 120.200 0.130 0.000 2.708 182 E HA -0.226 4.122 4.350 -0.002 0.000 0.260 182 E C -0.158 176.501 176.600 0.099 0.000 0.937 182 E CA 0.527 56.993 56.400 0.111 0.000 0.953 182 E CB 0.155 29.902 29.700 0.079 0.000 0.915 182 E HN 0.469 nan 8.360 nan 0.000 0.487 183 D N 2.453 122.909 120.400 0.095 0.000 2.880 183 D HA -0.243 4.396 4.640 -0.002 0.000 0.198 183 D C 0.798 177.151 176.300 0.088 0.000 1.059 183 D CA 1.373 55.418 54.000 0.074 0.000 1.019 183 D CB -0.731 40.102 40.800 0.055 0.000 1.112 183 D HN 0.517 nan 8.370 nan 0.000 0.424 184 I N 0.137 120.777 120.570 0.116 0.000 2.252 184 I HA -0.170 3.999 4.170 -0.002 0.000 0.245 184 I C 2.560 178.748 176.117 0.120 0.000 1.102 184 I CA 0.941 62.313 61.300 0.120 0.000 1.385 184 I CB -1.037 37.039 38.000 0.126 0.000 1.064 184 I HN 0.259 nan 8.210 nan 0.000 0.414 185 L N 0.632 121.937 121.223 0.136 0.000 2.017 185 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 185 L C 2.757 179.633 176.870 0.011 0.000 1.073 185 L CA 2.118 56.992 54.840 0.057 0.000 0.745 185 L CB -0.948 41.042 42.059 -0.116 0.000 0.894 185 L HN 0.169 nan 8.230 nan 0.000 0.432 186 S N -0.665 115.041 115.700 0.010 0.000 2.370 186 S HA -0.183 4.286 4.470 -0.002 0.000 0.226 186 S C 2.061 176.679 174.600 0.029 0.000 1.033 186 S CA 1.745 59.944 58.200 -0.001 0.000 1.011 186 S CB -0.491 62.708 63.200 -0.002 0.000 0.852 186 S HN 0.517 nan 8.310 nan 0.000 0.457 187 I N 0.762 121.373 120.570 0.069 0.000 2.252 187 I HA -0.184 3.985 4.170 -0.002 0.000 0.245 187 I C 2.506 178.711 176.117 0.147 0.000 1.102 187 I CA 0.890 62.267 61.300 0.128 0.000 1.385 187 I CB -0.490 37.610 38.000 0.167 0.000 1.064 187 I HN 0.420 nan 8.210 nan 0.000 0.414 188 C N 0.576 119.936 119.300 0.100 0.000 2.440 188 C HA -0.109 4.350 4.460 -0.002 0.000 0.278 188 C C 2.723 177.749 174.990 0.060 0.000 1.295 188 C CA 0.531 59.595 59.018 0.077 0.000 1.738 188 C CB -0.953 26.832 27.740 0.075 0.000 1.987 188 C HN 0.449 nan 8.230 nan 0.000 0.492 189 L N 1.548 122.793 121.223 0.036 0.000 2.056 189 L HA -0.129 4.210 4.340 -0.002 0.000 0.207 189 L C 2.773 179.637 176.870 -0.009 0.000 1.078 189 L CA 1.929 56.772 54.840 0.004 0.000 0.749 189 L CB -0.637 41.404 42.059 -0.030 0.000 0.901 189 L HN 0.475 nan 8.230 nan 0.000 0.433 190 S N -0.092 115.616 115.700 0.012 0.000 2.419 190 S HA -0.154 4.315 4.470 -0.002 0.000 0.233 190 S C 1.903 176.529 174.600 0.044 0.000 1.016 190 S CA 0.794 58.990 58.200 -0.006 0.000 0.974 190 S CB -0.673 62.535 63.200 0.012 0.000 0.786 190 S HN 0.370 nan 8.310 nan 0.000 0.492 191 I N 1.568 122.216 120.570 0.130 0.000 2.208 191 I HA -0.191 3.978 4.170 -0.002 0.000 0.245 191 I C 2.318 178.460 176.117 0.041 0.000 1.097 191 I CA 1.364 62.756 61.300 0.152 0.000 1.363 191 I CB -0.478 37.548 38.000 0.043 0.000 1.051 191 I HN 0.321 nan 8.210 nan 0.000 0.413 192 L N 0.109 121.326 121.223 -0.010 0.000 2.191 192 L HA -0.214 4.125 4.340 -0.002 0.000 0.212 192 L C 1.363 178.116 176.870 -0.194 0.000 1.103 192 L CA 1.062 55.885 54.840 -0.028 0.000 0.769 192 L CB -0.660 41.404 42.059 0.010 0.000 0.908 192 L HN 0.294 nan 8.230 nan 0.000 0.438 193 D N -0.216 119.947 120.400 -0.395 0.000 2.328 193 D HA 0.001 4.640 4.640 -0.002 0.000 0.226 193 D C 1.605 177.538 176.300 -0.612 0.000 1.066 193 D CA 0.367 53.752 54.000 -1.024 0.000 0.861 193 D CB 0.304 40.633 40.800 -0.784 0.000 0.912 193 D HN 0.222 nan 8.370 nan 0.000 0.521 194 R N 0.078 120.484 120.500 -0.157 0.000 2.531 194 R HA 0.102 4.441 4.340 -0.002 0.000 0.316 194 R C 0.737 177.125 176.300 0.146 0.000 0.955 194 R CA -0.032 56.100 56.100 0.055 0.000 1.120 194 R CB 0.388 30.775 30.300 0.145 0.000 1.361 194 R HN 0.082 nan 8.270 nan 0.000 0.534 195 S N -0.001 115.784 115.700 0.141 0.000 2.589 195 S HA 0.149 4.617 4.470 -0.002 0.000 0.265 195 S C 1.616 176.323 174.600 0.178 0.000 1.342 195 S CA -0.434 57.852 58.200 0.144 0.000 1.005 195 S CB 0.917 64.184 63.200 0.112 0.000 0.909 195 S HN 0.111 nan 8.310 nan 0.000 0.555 196 L N 1.226 122.522 121.223 0.122 0.000 2.083 196 L HA -0.139 4.199 4.340 -0.002 0.000 0.209 196 L C 2.601 179.543 176.870 0.120 0.000 1.083 196 L CA 1.287 56.192 54.840 0.109 0.000 0.752 196 L CB -0.804 41.297 42.059 0.071 0.000 0.899 196 L HN 0.736 nan 8.230 nan 0.000 0.433 197 N N -0.079 118.699 118.700 0.131 0.000 2.084 197 N HA -0.242 4.497 4.740 -0.002 0.000 0.190 197 N C 1.947 177.573 175.510 0.193 0.000 1.030 197 N CA 1.543 54.690 53.050 0.160 0.000 0.849 197 N CB -0.328 38.280 38.487 0.202 0.000 1.012 197 N HN 0.234 nan 8.380 nan 0.000 0.423 198 F N 2.447 122.460 119.950 0.104 0.000 2.134 198 F HA -0.041 4.485 4.527 -0.002 0.000 0.299 198 F C 2.503 178.352 175.800 0.082 0.000 1.097 198 F CA 1.180 59.239 58.000 0.098 0.000 1.264 198 F CB 0.008 39.060 39.000 0.087 0.000 1.001 198 F HN -0.160 nan 8.300 nan 0.000 0.479 199 R N -0.388 120.226 120.500 0.190 0.000 2.148 199 R HA -0.107 4.232 4.340 -0.002 0.000 0.227 199 R C 2.355 178.655 176.300 0.001 0.000 1.103 199 R CA 1.195 57.348 56.100 0.088 0.000 0.983 199 R CB -0.269 30.117 30.300 0.144 0.000 0.874 199 R HN 0.250 nan 8.270 nan 0.000 0.451 200 R N 0.211 120.720 120.500 0.016 0.000 2.062 200 R HA -0.070 4.269 4.340 -0.002 0.000 0.229 200 R C -0.072 176.205 176.300 -0.038 0.000 1.128 200 R CA 1.421 57.522 56.100 0.002 0.000 0.960 200 R CB 0.348 30.666 30.300 0.029 0.000 0.855 200 R HN -0.039 nan 8.270 nan 0.000 0.432 201 D N -1.467 118.896 120.400 -0.061 0.000 2.411 201 D HA 0.174 4.813 4.640 -0.002 0.000 0.239 201 D C -0.026 176.189 176.300 -0.142 0.000 1.307 201 D CA 0.090 54.036 54.000 -0.089 0.000 0.930 201 D CB 1.240 42.010 40.800 -0.049 0.000 1.395 201 D HN 0.186 nan 8.370 nan 0.000 0.536 202 A N 2.789 125.440 122.820 -0.281 0.000 1.883 202 A HA -0.024 4.295 4.320 -0.002 0.000 0.217 202 A C 2.200 179.730 177.584 -0.091 0.000 1.186 202 A CA 2.137 53.881 52.037 -0.489 0.000 0.624 202 A CB -0.516 18.057 19.000 -0.712 0.000 0.822 202 A HN 0.605 nan 8.150 nan 0.000 0.444 203 A N -1.099 121.755 122.820 0.056 0.000 1.883 203 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 203 A C 2.340 179.932 177.584 0.013 0.000 1.186 203 A CA 2.523 54.614 52.037 0.090 0.000 0.624 203 A CB -1.374 17.610 19.000 -0.026 0.000 0.822 203 A HN 0.452 nan 8.150 nan 0.000 0.444 204 T N -0.617 113.920 114.554 -0.029 0.000 2.777 204 T HA -0.116 4.232 4.350 -0.002 0.000 0.266 204 T C 1.676 176.336 174.700 -0.067 0.000 1.040 204 T CA 1.609 63.681 62.100 -0.047 0.000 1.141 204 T CB -0.424 68.416 68.868 -0.046 0.000 0.868 204 T HN 0.722 nan 8.240 nan 0.000 0.444 205 D N 0.892 121.294 120.400 0.004 0.000 2.092 205 D HA -0.117 4.522 4.640 -0.002 0.000 0.193 205 D C 2.057 178.403 176.300 0.077 0.000 0.994 205 D CA 1.114 55.172 54.000 0.096 0.000 0.828 205 D CB -0.314 40.662 40.800 0.293 0.000 0.963 205 D HN 0.137 nan 8.370 nan 0.000 0.450 206 V N 0.672 120.663 119.914 0.129 0.000 2.392 206 V HA -0.239 3.879 4.120 -0.002 0.000 0.249 206 V C 2.524 178.629 176.094 0.018 0.000 1.059 206 V CA 1.820 64.181 62.300 0.102 0.000 1.051 206 V CB -0.953 30.929 31.823 0.099 0.000 0.658 206 V HN 0.407 nan 8.190 nan 0.000 0.455 207 A N -0.527 122.284 122.820 -0.015 0.000 1.969 207 A HA -0.151 4.168 4.320 -0.002 0.000 0.218 207 A C 2.359 179.892 177.584 -0.085 0.000 1.169 207 A CA 1.902 53.922 52.037 -0.028 0.000 0.635 207 A CB -0.460 18.525 19.000 -0.026 0.000 0.810 207 A HN 0.527 nan 8.150 nan 0.000 0.445 208 S N -0.465 115.095 115.700 -0.232 0.000 2.561 208 S HA -0.007 4.462 4.470 -0.002 0.000 0.225 208 S C 1.544 176.022 174.600 -0.203 0.000 0.977 208 S CA 0.232 58.168 58.200 -0.440 0.000 0.926 208 S CB -0.185 62.244 63.200 -1.285 0.000 0.769 208 S HN 0.587 nan 8.310 nan 0.000 0.533 209 R N 2.212 122.700 120.500 -0.020 0.000 2.357 209 R HA -0.013 4.326 4.340 -0.002 0.000 0.202 209 R C 1.464 177.830 176.300 0.111 0.000 1.047 209 R CA 0.973 57.152 56.100 0.132 0.000 1.034 209 R CB -0.568 29.790 30.300 0.096 0.000 0.875 209 R HN 0.707 nan 8.270 nan 0.000 0.473 210 N N -0.560 118.197 118.700 0.095 0.000 2.336 210 N HA -0.070 4.669 4.740 -0.002 0.000 0.189 210 N C -0.223 175.439 175.510 0.253 0.000 1.113 210 N CA -0.178 52.946 53.050 0.123 0.000 0.858 210 N CB 0.346 38.892 38.487 0.097 0.000 0.970 210 N HN -0.092 nan 8.380 nan 0.000 0.471 211 D N 1.313 121.856 120.400 0.239 0.000 2.381 211 D HA 0.214 4.853 4.640 -0.002 0.000 0.235 211 D C -1.586 174.785 176.300 0.119 0.000 1.068 211 D CA -2.726 51.379 54.000 0.174 0.000 0.832 211 D CB 1.876 42.741 40.800 0.109 0.000 1.101 211 D HN -0.049 nan 8.370 nan 0.000 0.515 212 P HA -0.136 nan 4.420 nan 0.000 0.220 212 P C 0.824 177.626 177.300 -0.830 0.000 1.148 212 P CA 0.886 63.525 63.100 -0.768 0.000 0.803 212 P CB 0.549 31.463 31.700 -1.310 0.000 0.782 213 K N -0.961 119.081 120.400 -0.596 0.000 2.057 213 K HA -0.180 4.139 4.320 -0.002 0.000 0.207 213 K C 2.405 178.940 176.600 -0.109 0.000 1.049 213 K CA 1.345 57.487 56.287 -0.242 0.000 0.931 213 K CB -0.720 31.822 32.500 0.070 0.000 0.714 213 K HN 0.130 nan 8.250 nan 0.000 0.440 214 Y N 1.695 121.916 120.300 -0.132 0.000 2.133 214 Y HA -0.235 4.314 4.550 -0.002 0.000 0.287 214 Y C 2.103 177.967 175.900 -0.059 0.000 1.134 214 Y CA 1.162 59.215 58.100 -0.078 0.000 1.133 214 Y CB -0.295 38.161 38.460 -0.007 0.000 0.987 214 Y HN -0.262 nan 8.280 nan 0.000 0.502 215 V N 0.203 120.162 119.914 0.075 0.000 2.332 215 V HA -0.288 3.830 4.120 -0.002 0.000 0.248 215 V C 2.589 178.635 176.094 -0.080 0.000 1.055 215 V CA 1.940 64.262 62.300 0.036 0.000 1.038 215 V CB -1.631 30.334 31.823 0.237 0.000 0.651 215 V HN 0.647 nan 8.190 nan 0.000 0.450 216 G N -0.404 108.327 108.800 -0.115 0.000 2.421 216 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.216 216 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.216 216 G C 1.723 176.568 174.900 -0.092 0.000 1.171 216 G CA 1.004 46.071 45.100 -0.055 0.000 0.775 216 G HN 0.446 nan 8.290 nan 0.000 0.543 217 R N -0.256 120.131 120.500 -0.188 0.000 2.096 217 R HA -0.006 4.332 4.340 -0.002 0.000 0.235 217 R C 2.630 178.779 176.300 -0.252 0.000 1.127 217 R CA 1.247 57.193 56.100 -0.257 0.000 0.968 217 R CB -0.350 29.693 30.300 -0.428 0.000 0.861 217 R HN 0.245 nan 8.270 nan 0.000 0.440 218 V N 1.212 120.930 119.914 -0.327 0.000 2.343 218 V HA -0.244 3.875 4.120 -0.002 0.000 0.247 218 V C 2.269 178.280 176.094 -0.138 0.000 1.051 218 V CA 1.665 63.801 62.300 -0.273 0.000 1.036 218 V CB -0.328 31.288 31.823 -0.344 0.000 0.654 218 V HN 0.364 nan 8.190 nan 0.000 0.451 219 L N 0.723 121.885 121.223 -0.102 0.000 2.201 219 L HA -0.127 4.212 4.340 -0.002 0.000 0.212 219 L C 2.618 179.462 176.870 -0.043 0.000 1.105 219 L CA 1.623 56.430 54.840 -0.055 0.000 0.775 219 L CB -0.607 41.440 42.059 -0.020 0.000 0.913 219 L HN 0.565 nan 8.230 nan 0.000 0.440 220 S N -0.430 115.240 115.700 -0.050 0.000 2.453 220 S HA -0.052 4.416 4.470 -0.002 0.000 0.231 220 S C 1.955 176.537 174.600 -0.030 0.000 1.005 220 S CA 0.675 58.858 58.200 -0.028 0.000 0.949 220 S CB -0.043 63.135 63.200 -0.038 0.000 0.774 220 S HN 0.347 nan 8.310 nan 0.000 0.510 221 A N 1.984 124.776 122.820 -0.046 0.000 1.871 221 A HA 0.367 4.686 4.320 -0.002 0.000 0.211 221 A C 2.228 179.808 177.584 -0.006 0.000 1.207 221 A CA 0.902 52.928 52.037 -0.019 0.000 0.620 221 A CB -0.497 18.481 19.000 -0.036 0.000 0.860 221 A HN 0.457 nan 8.150 nan 0.000 0.450 222 M N 0.145 119.725 119.600 -0.033 0.000 2.460 222 M HA 0.030 4.509 4.480 -0.002 0.000 0.263 222 M C 1.458 177.679 176.300 -0.133 0.000 1.071 222 M CA 0.801 56.066 55.300 -0.059 0.000 1.096 222 M CB -0.799 31.763 32.600 -0.064 0.000 1.408 222 M HN 0.277 nan 8.290 nan 0.000 0.463 223 I N 0.679 121.201 120.570 -0.080 0.000 2.928 223 I HA -0.126 4.043 4.170 -0.002 0.000 0.266 223 I C 0.544 176.697 176.117 0.061 0.000 1.234 223 I CA 0.445 61.701 61.300 -0.073 0.000 1.483 223 I CB -1.395 36.614 38.000 0.014 0.000 1.097 223 I HN 0.330 nan 8.210 nan 0.000 0.455 224 N N -0.523 118.241 118.700 0.107 0.000 2.456 224 N HA 0.088 4.827 4.740 -0.002 0.000 0.296 224 N C 0.809 176.383 175.510 0.107 0.000 1.102 224 N CA -0.115 53.070 53.050 0.225 0.000 0.924 224 N CB 0.932 39.450 38.487 0.052 0.000 1.186 224 N HN -0.061 nan 8.380 nan 0.000 0.492 225 S N 0.572 116.350 115.700 0.131 0.000 2.481 225 S HA -0.048 4.421 4.470 -0.002 0.000 0.231 225 S C 0.058 174.727 174.600 0.115 0.000 0.996 225 S CA -0.184 58.082 58.200 0.109 0.000 0.942 225 S CB -0.911 62.362 63.200 0.121 0.000 0.768 225 S HN 0.649 nan 8.310 nan 0.000 0.520 226 N N 3.142 121.902 118.700 0.099 0.000 2.407 226 N HA 0.112 4.851 4.740 -0.002 0.000 0.250 226 N C 0.291 175.904 175.510 0.171 0.000 1.236 226 N CA 0.981 54.105 53.050 0.123 0.000 0.879 226 N CB -0.035 38.495 38.487 0.073 0.000 1.088 226 N HN 0.214 nan 8.380 nan 0.000 0.450 227 D N -0.528 119.975 120.400 0.172 0.000 2.463 227 D HA -0.248 4.390 4.640 -0.002 0.000 0.165 227 D C -0.111 176.256 176.300 0.112 0.000 1.471 227 D CA 2.061 56.145 54.000 0.140 0.000 1.333 227 D CB -0.782 40.100 40.800 0.137 0.000 1.227 227 D HN 0.823 nan 8.370 nan 0.000 0.427 228 D N -0.641 119.830 120.400 0.119 0.000 2.594 228 D HA 0.207 4.845 4.640 -0.002 0.000 0.256 228 D C -0.166 176.224 176.300 0.151 0.000 1.393 228 D CA -0.052 54.020 54.000 0.120 0.000 0.797 228 D CB -0.835 40.029 40.800 0.107 0.000 1.110 228 D HN 0.351 nan 8.370 nan 0.000 0.495 229 N N -0.150 118.646 118.700 0.159 0.000 2.754 229 N HA -0.118 4.621 4.740 -0.002 0.000 0.248 229 N C 0.695 176.395 175.510 0.316 0.000 1.093 229 N CA 0.344 53.524 53.050 0.216 0.000 0.699 229 N CB -0.925 37.681 38.487 0.197 0.000 1.016 229 N HN 0.501 nan 8.380 nan 0.000 0.552 230 G N -0.532 108.374 108.800 0.176 0.000 2.583 230 G HA2 0.278 4.236 3.960 -0.002 0.000 0.275 230 G HA3 0.278 4.236 3.960 -0.002 0.000 0.275 230 G C 1.268 176.072 174.900 -0.160 0.000 1.342 230 G CA -0.039 45.071 45.100 0.017 0.000 1.030 230 G HN 0.063 nan 8.290 nan 0.000 0.520 231 V N -0.285 119.273 119.914 -0.594 0.000 2.244 231 V HA 0.015 4.133 4.120 -0.002 0.000 0.244 231 V C 1.270 177.177 176.094 -0.310 0.000 1.042 231 V CA 1.226 63.031 62.300 -0.824 0.000 1.006 231 V CB -0.848 30.471 31.823 -0.841 0.000 0.641 231 V HN 0.295 nan 8.190 nan 0.000 0.446 232 L N 0.460 121.567 121.223 -0.194 0.000 2.307 232 L HA 0.675 5.013 4.340 -0.002 0.000 0.284 232 L C -0.046 176.852 176.870 0.047 0.000 1.023 232 L CA -0.392 54.339 54.840 -0.181 0.000 0.810 232 L CB 1.366 43.097 42.059 -0.547 0.000 1.231 232 L HN 0.191 nan 8.230 nan 0.000 0.423 233 A N 2.580 125.422 122.820 0.036 0.000 2.276 233 A HA 0.649 4.967 4.320 -0.002 0.000 0.300 233 A C 0.419 178.148 177.584 0.241 0.000 1.235 233 A CA -0.263 51.884 52.037 0.184 0.000 0.867 233 A CB 0.527 19.643 19.000 0.193 0.000 1.137 233 A HN 0.764 nan 8.150 nan 0.000 0.527 234 G N 0.911 109.915 108.800 0.340 0.000 2.539 234 G HA2 0.448 4.407 3.960 -0.002 0.000 0.258 234 G HA3 0.448 4.407 3.960 -0.002 0.000 0.258 234 G C -0.231 174.680 174.900 0.018 0.000 1.202 234 G CA -0.466 44.755 45.100 0.202 0.000 0.851 234 G HN 0.931 nan 8.290 nan 0.000 0.556 235 N N -0.049 118.419 118.700 -0.387 0.000 2.839 235 N HA 0.101 4.839 4.740 -0.002 0.000 0.258 235 N C -0.692 174.671 175.510 -0.245 0.000 1.150 235 N CA -0.716 52.211 53.050 -0.205 0.000 0.957 235 N CB 0.988 39.243 38.487 -0.386 0.000 1.560 235 N HN 0.602 nan 8.380 nan 0.000 0.588 236 W N 2.673 123.995 121.300 0.037 0.000 2.599 236 W HA 0.131 4.790 4.660 -0.002 0.000 0.396 236 W C 1.471 177.956 176.519 -0.057 0.000 0.944 236 W CA -0.216 57.132 57.345 0.005 0.000 2.042 236 W CB 0.620 29.970 29.460 -0.183 0.000 1.184 236 W HN 0.591 nan 8.180 nan 0.000 0.604 237 S N -0.524 115.183 115.700 0.013 0.000 2.436 237 S HA 0.135 4.604 4.470 -0.002 0.000 0.228 237 S C 1.848 176.347 174.600 -0.169 0.000 1.014 237 S CA 1.285 59.422 58.200 -0.106 0.000 0.950 237 S CB 0.074 63.154 63.200 -0.199 0.000 0.784 237 S HN 0.361 nan 8.310 nan 0.000 0.504 238 G N -0.250 108.357 108.800 -0.321 0.000 2.194 238 G HA2 -0.181 3.777 3.960 -0.002 0.000 0.236 238 G HA3 -0.181 3.777 3.960 -0.002 0.000 0.236 238 G C 0.171 174.724 174.900 -0.579 0.000 0.987 238 G CA 0.205 45.173 45.100 -0.220 0.000 0.635 238 G HN 0.684 nan 8.290 nan 0.000 0.520 239 T N 0.548 114.553 114.554 -0.915 0.000 2.847 239 T HA 0.556 4.905 4.350 -0.002 0.000 0.291 239 T C -0.502 173.651 174.700 -0.912 0.000 0.998 239 T CA -0.314 61.383 62.100 -0.671 0.000 0.967 239 T CB 0.779 69.469 68.868 -0.297 0.000 0.954 239 T HN 0.248 nan 8.240 nan 0.000 0.441 240 Y N 1.324 121.605 120.300 -0.031 0.000 2.736 240 Y HA 0.261 4.810 4.550 -0.002 0.000 0.293 240 Y C 1.336 177.354 175.900 0.196 0.000 1.062 240 Y CA -0.918 57.195 58.100 0.022 0.000 1.247 240 Y CB -0.099 38.419 38.460 0.097 0.000 1.200 240 Y HN 0.422 nan 8.280 nan 0.000 0.552 241 T N 0.681 115.329 114.554 0.155 0.000 2.928 241 T HA 0.313 4.662 4.350 -0.002 0.000 0.305 241 T C 1.307 176.151 174.700 0.239 0.000 1.035 241 T CA 1.367 63.557 62.100 0.149 0.000 1.145 241 T CB 0.648 69.556 68.868 0.066 0.000 0.963 241 T HN 0.842 nan 8.240 nan 0.000 0.545 242 G N 1.430 110.327 108.800 0.161 0.000 2.195 242 G HA2 -0.039 3.920 3.960 -0.002 0.000 0.246 242 G HA3 -0.039 3.920 3.960 -0.002 0.000 0.246 242 G C 0.352 175.267 174.900 0.025 0.000 0.984 242 G CA 0.072 45.243 45.100 0.117 0.000 0.633 242 G HN 1.216 nan 8.290 nan 0.000 0.525 243 G N -1.054 107.794 108.800 0.080 0.000 2.871 243 G HA2 0.674 4.633 3.960 -0.002 0.000 0.282 243 G HA3 0.674 4.633 3.960 -0.002 0.000 0.282 243 G C -0.911 173.997 174.900 0.014 0.000 1.212 243 G CA -0.667 44.357 45.100 -0.126 0.000 0.812 243 G HN 0.430 nan 8.290 nan 0.000 0.547 244 R N 0.390 120.869 120.500 -0.034 0.000 2.589 244 R HA 0.346 4.684 4.340 -0.002 0.000 0.293 244 R C -1.172 175.062 176.300 -0.110 0.000 0.963 244 R CA -0.782 55.215 56.100 -0.172 0.000 0.905 244 R CB 1.960 31.910 30.300 -0.584 0.000 1.144 244 R HN 0.526 nan 8.270 nan 0.000 0.459 245 D N 3.306 123.587 120.400 -0.198 0.000 2.434 245 D HA 0.007 4.645 4.640 -0.002 0.000 0.252 245 D C -1.581 174.487 176.300 -0.388 0.000 1.185 245 D CA -1.752 52.017 54.000 -0.385 0.000 0.886 245 D CB 1.309 41.981 40.800 -0.212 0.000 1.148 245 D HN 0.164 nan 8.370 nan 0.000 0.483 246 P HA -0.164 nan 4.420 nan 0.000 0.217 246 P C 1.125 178.555 177.300 0.217 0.000 1.148 246 P CA 1.083 64.132 63.100 -0.085 0.000 0.834 246 P CB 0.217 31.714 31.700 -0.338 0.000 0.783 247 R N -0.608 120.006 120.500 0.191 0.000 2.280 247 R HA 0.014 4.353 4.340 -0.002 0.000 0.207 247 R C 2.137 178.541 176.300 0.173 0.000 1.043 247 R CA 1.406 57.720 56.100 0.357 0.000 1.006 247 R CB -0.991 29.430 30.300 0.202 0.000 0.885 247 R HN 0.366 nan 8.270 nan 0.000 0.467 248 S N -0.722 114.946 115.700 -0.054 0.000 2.461 248 S HA -0.075 4.394 4.470 -0.002 0.000 0.228 248 S C 0.592 175.098 174.600 -0.156 0.000 1.005 248 S CA -0.351 57.740 58.200 -0.182 0.000 0.942 248 S CB -0.294 62.686 63.200 -0.366 0.000 0.776 248 S HN 0.241 nan 8.310 nan 0.000 0.514 249 W N 2.186 123.515 121.300 0.048 0.000 2.170 249 W HA 0.282 4.941 4.660 -0.002 0.000 0.342 249 W C 0.682 177.092 176.519 -0.182 0.000 1.294 249 W CA -0.453 56.865 57.345 -0.045 0.000 1.246 249 W CB 0.343 29.850 29.460 0.078 0.000 1.156 249 W HN 0.158 nan 8.180 nan 0.000 0.572 250 D N 0.791 121.075 120.400 -0.192 0.000 2.500 250 D HA 0.241 4.880 4.640 -0.002 0.000 0.217 250 D C 0.643 176.306 176.300 -1.061 0.000 1.159 250 D CA 0.289 54.019 54.000 -0.450 0.000 0.828 250 D CB 0.927 41.578 40.800 -0.249 0.000 1.039 250 D HN 0.464 nan 8.370 nan 0.000 0.512 251 G N -0.827 107.160 108.800 -1.355 0.000 2.488 251 G HA2 0.265 4.224 3.960 -0.002 0.000 0.301 251 G HA3 0.265 4.224 3.960 -0.002 0.000 0.301 251 G C -0.007 174.497 174.900 -0.660 0.000 1.339 251 G CA -0.255 43.951 45.100 -1.489 0.000 0.803 251 G HN -0.141 nan 8.290 nan 0.000 0.482 252 S N -0.778 114.841 115.700 -0.136 0.000 2.503 252 S HA 0.062 4.530 4.470 -0.002 0.000 0.217 252 S C 2.371 176.969 174.600 -0.004 0.000 0.999 252 S CA 0.676 58.947 58.200 0.119 0.000 0.914 252 S CB 0.368 63.760 63.200 0.320 0.000 0.782 252 S HN 0.416 nan 8.310 nan 0.000 0.520 253 V N 2.647 122.539 119.914 -0.036 0.000 2.237 253 V HA -0.161 3.958 4.120 -0.002 0.000 0.245 253 V C 2.527 178.620 176.094 -0.002 0.000 1.046 253 V CA 1.664 63.960 62.300 -0.006 0.000 1.007 253 V CB -0.524 31.292 31.823 -0.011 0.000 0.638 253 V HN 0.377 nan 8.190 nan 0.000 0.445 254 E N -0.109 120.087 120.200 -0.006 0.000 2.110 254 E HA -0.160 4.188 4.350 -0.002 0.000 0.193 254 E C 2.120 178.726 176.600 0.011 0.000 0.988 254 E CA 1.269 57.700 56.400 0.052 0.000 0.804 254 E CB -0.354 29.441 29.700 0.158 0.000 0.745 254 E HN 0.600 nan 8.360 nan 0.000 0.458 255 I N 0.676 121.152 120.570 -0.156 0.000 2.142 255 I HA -0.282 3.886 4.170 -0.002 0.000 0.240 255 I C 2.478 178.542 176.117 -0.087 0.000 1.078 255 I CA 1.019 62.130 61.300 -0.316 0.000 1.343 255 I CB -0.308 37.366 38.000 -0.544 0.000 1.046 255 I HN 0.044 nan 8.210 nan 0.000 0.405 256 L N 0.319 121.526 121.223 -0.028 0.000 2.056 256 L HA -0.199 4.140 4.340 -0.002 0.000 0.207 256 L C 2.543 179.521 176.870 0.180 0.000 1.078 256 L CA 1.441 56.338 54.840 0.096 0.000 0.749 256 L CB -0.500 41.604 42.059 0.075 0.000 0.901 256 L HN 0.161 nan 8.230 nan 0.000 0.433 257 K N -0.279 120.183 120.400 0.103 0.000 2.148 257 K HA -0.109 4.209 4.320 -0.002 0.000 0.204 257 K C 1.825 178.477 176.600 0.087 0.000 1.050 257 K CA 1.097 57.437 56.287 0.089 0.000 0.942 257 K CB -0.116 32.421 32.500 0.060 0.000 0.724 257 K HN 0.255 nan 8.250 nan 0.000 0.446 258 N N 0.103 118.862 118.700 0.097 0.000 2.270 258 N HA -0.153 4.586 4.740 -0.002 0.000 0.181 258 N C 1.200 176.785 175.510 0.125 0.000 1.016 258 N CA 0.734 53.842 53.050 0.095 0.000 0.870 258 N CB -0.260 38.294 38.487 0.111 0.000 0.979 258 N HN 0.288 nan 8.380 nan 0.000 0.431 259 W N 2.594 123.870 121.300 -0.039 0.000 2.354 259 W HA -0.107 4.552 4.660 -0.002 0.000 0.315 259 W C 2.322 178.828 176.519 -0.023 0.000 1.206 259 W CA 1.557 58.880 57.345 -0.037 0.000 1.290 259 W CB -0.427 29.005 29.460 -0.048 0.000 1.152 259 W HN -0.038 nan 8.180 nan 0.000 0.489 260 K N 0.786 121.156 120.400 -0.050 0.000 1.991 260 K HA -0.280 4.039 4.320 -0.002 0.000 0.212 260 K C 2.322 178.809 176.600 -0.188 0.000 1.049 260 K CA 2.123 58.262 56.287 -0.247 0.000 0.932 260 K CB -0.685 31.771 32.500 -0.073 0.000 0.717 260 K HN 0.056 nan 8.250 nan 0.000 0.441 261 K N 0.575 120.929 120.400 -0.077 0.000 2.160 261 K HA -0.129 4.190 4.320 -0.002 0.000 0.206 261 K C 1.510 178.068 176.600 -0.071 0.000 1.047 261 K CA 1.845 58.098 56.287 -0.056 0.000 0.930 261 K CB -0.153 32.339 32.500 -0.013 0.000 0.720 261 K HN 0.326 nan 8.250 nan 0.000 0.450 262 S N -0.894 114.758 115.700 -0.080 0.000 2.710 262 S HA 0.167 4.636 4.470 -0.002 0.000 0.224 262 S C 0.818 175.345 174.600 -0.121 0.000 0.948 262 S CA 0.173 58.330 58.200 -0.072 0.000 0.949 262 S CB 0.289 63.473 63.200 -0.028 0.000 0.778 262 S HN 0.470 nan 8.310 nan 0.000 0.498 263 G N 1.842 110.533 108.800 -0.182 0.000 2.246 263 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.273 263 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.273 263 G C 0.375 175.097 174.900 -0.296 0.000 1.055 263 G CA -0.110 44.865 45.100 -0.208 0.000 0.851 263 G HN 1.231 nan 8.290 nan 0.000 0.500 264 L N -2.196 118.704 121.223 -0.537 0.000 3.898 264 L HA -0.223 4.116 4.340 -0.002 0.000 0.407 264 L C 1.225 177.968 176.870 -0.212 0.000 1.207 264 L CA 0.741 55.081 54.840 -0.832 0.000 0.931 264 L CB -2.577 39.071 42.059 -0.686 0.000 2.014 264 L HN 1.262 nan 8.230 nan 0.000 0.858 265 S N -1.429 114.230 115.700 -0.069 0.000 2.646 265 S HA 0.744 5.213 4.470 -0.002 0.000 0.276 265 S C -2.134 172.592 174.600 0.211 0.000 1.222 265 S CA -1.403 56.844 58.200 0.078 0.000 1.014 265 S CB 1.648 64.866 63.200 0.030 0.000 0.991 265 S HN 0.004 nan 8.310 nan 0.000 0.533 266 P HA 0.104 nan 4.420 nan 0.000 0.265 266 P C -1.028 176.325 177.300 0.088 0.000 1.187 266 P CA -0.197 62.994 63.100 0.151 0.000 0.766 266 P CB 0.292 32.054 31.700 0.102 0.000 0.820 267 V N 5.444 125.384 119.914 0.044 0.000 2.364 267 V HA 0.274 4.393 4.120 -0.002 0.000 0.272 267 V C 0.684 176.731 176.094 -0.080 0.000 1.036 267 V CA -0.216 62.079 62.300 -0.009 0.000 0.880 267 V CB 0.556 32.327 31.823 -0.088 0.000 0.991 267 V HN 0.440 nan 8.190 nan 0.000 0.460 268 R N 4.495 124.897 120.500 -0.162 0.000 2.338 268 R HA 0.674 5.013 4.340 -0.002 0.000 0.317 268 R C -1.432 174.750 176.300 -0.196 0.000 0.968 268 R CA -0.394 55.372 56.100 -0.556 0.000 0.849 268 R CB 1.409 30.894 30.300 -1.358 0.000 1.128 268 R HN 0.624 nan 8.270 nan 0.000 0.448 269 Y N -0.317 120.121 120.300 0.230 0.000 2.665 269 Y HA 0.720 5.268 4.550 -0.002 0.000 0.336 269 Y C 0.678 176.569 175.900 -0.016 0.000 1.085 269 Y CA -0.938 57.202 58.100 0.067 0.000 1.096 269 Y CB 2.411 40.901 38.460 0.051 0.000 1.301 269 Y HN 0.674 nan 8.280 nan 0.000 0.493 270 G N -0.077 108.643 108.800 -0.134 0.000 2.642 270 G HA2 0.704 4.662 3.960 -0.002 0.000 0.293 270 G HA3 0.704 4.662 3.960 -0.002 0.000 0.293 270 G C -1.799 172.695 174.900 -0.678 0.000 1.341 270 G CA -0.744 44.038 45.100 -0.530 0.000 0.916 270 G HN 0.449 nan 8.290 nan 0.000 0.474 271 Q N -1.266 118.059 119.800 -0.791 0.000 2.587 271 Q HA 0.275 4.614 4.340 -0.002 0.000 0.293 271 Q C 1.627 177.596 176.000 -0.052 0.000 1.083 271 Q CA -0.569 54.890 55.803 -0.574 0.000 0.792 271 Q CB 2.124 30.427 28.738 -0.726 0.000 1.484 271 Q HN 0.858 nan 8.270 nan 0.000 0.446 272 C N -0.689 119.033 119.300 0.703 0.000 2.375 272 C HA -0.183 4.275 4.460 -0.002 0.000 0.274 272 C C 2.110 177.317 174.990 0.362 0.000 1.190 272 C CA 1.576 61.063 59.018 0.781 0.000 1.775 272 C CB -1.702 26.719 27.740 1.134 0.000 2.067 272 C HN 1.018 nan 8.230 nan 0.000 0.463 273 W N 1.962 123.399 121.300 0.228 0.000 2.425 273 W HA 0.149 4.808 4.660 -0.002 0.000 0.277 273 W C 1.802 178.104 176.519 -0.362 0.000 1.231 273 W CA 1.172 58.466 57.345 -0.085 0.000 1.248 273 W CB -1.138 28.240 29.460 -0.138 0.000 1.117 273 W HN 0.215 nan 8.180 nan 0.000 0.568 274 V N 1.117 120.505 119.914 -0.876 0.000 2.307 274 V HA -0.276 3.842 4.120 -0.002 0.000 0.245 274 V C 2.235 178.031 176.094 -0.496 0.000 1.045 274 V CA 1.804 63.642 62.300 -0.769 0.000 1.024 274 V CB -1.231 30.113 31.823 -0.798 0.000 0.651 274 V HN 0.098 nan 8.190 nan 0.000 0.449 275 F N 1.177 120.972 119.950 -0.259 0.000 2.095 275 F HA -0.153 4.373 4.527 -0.002 0.000 0.298 275 F C 2.516 178.256 175.800 -0.100 0.000 1.104 275 F CA 1.648 59.574 58.000 -0.123 0.000 1.232 275 F CB -1.058 37.943 39.000 0.001 0.000 0.987 275 F HN 0.085 nan 8.300 nan 0.000 0.475 276 A N 0.168 123.045 122.820 0.095 0.000 1.902 276 A HA -0.045 4.274 4.320 -0.002 0.000 0.217 276 A C 2.565 180.115 177.584 -0.057 0.000 1.181 276 A CA 1.763 53.820 52.037 0.033 0.000 0.623 276 A CB -1.606 17.410 19.000 0.026 0.000 0.818 276 A HN 0.407 nan 8.150 nan 0.000 0.443 277 G N -1.112 107.512 108.800 -0.292 0.000 2.418 277 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.217 277 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.217 277 G C 1.568 176.561 174.900 0.156 0.000 1.158 277 G CA 1.661 46.558 45.100 -0.338 0.000 0.771 277 G HN 0.437 nan 8.290 nan 0.000 0.545 278 T N 1.062 115.660 114.554 0.072 0.000 2.777 278 T HA -0.090 4.259 4.350 -0.002 0.000 0.266 278 T C 2.221 176.959 174.700 0.063 0.000 1.040 278 T CA 1.088 63.250 62.100 0.102 0.000 1.141 278 T CB -0.208 68.634 68.868 -0.043 0.000 0.868 278 T HN 0.123 nan 8.240 nan 0.000 0.444 279 L N 2.052 123.300 121.223 0.042 0.000 2.083 279 L HA 0.015 4.354 4.340 -0.002 0.000 0.209 279 L C 2.071 178.956 176.870 0.025 0.000 1.083 279 L CA 1.618 56.481 54.840 0.037 0.000 0.752 279 L CB -0.968 41.127 42.059 0.060 0.000 0.899 279 L HN 0.230 nan 8.230 nan 0.000 0.433 280 N N -1.357 117.344 118.700 0.003 0.000 2.104 280 N HA -0.204 4.534 4.740 -0.002 0.000 0.190 280 N C 1.536 176.960 175.510 -0.144 0.000 1.024 280 N CA 1.947 54.920 53.050 -0.127 0.000 0.853 280 N CB 0.094 38.391 38.487 -0.317 0.000 1.008 280 N HN 0.445 nan 8.380 nan 0.000 0.424 281 T N 0.873 115.427 114.554 0.000 0.000 2.652 281 T HA -0.111 4.238 4.350 -0.002 0.000 0.267 281 T C 1.955 176.676 174.700 0.036 0.000 1.039 281 T CA 1.469 63.598 62.100 0.049 0.000 1.153 281 T CB -0.422 68.549 68.868 0.172 0.000 0.863 281 T HN 0.407 nan 8.240 nan 0.000 0.428 282 A N 1.110 123.958 122.820 0.047 0.000 1.883 282 A HA -0.025 4.293 4.320 -0.002 0.000 0.217 282 A C 2.336 179.969 177.584 0.081 0.000 1.186 282 A CA 1.322 53.395 52.037 0.059 0.000 0.624 282 A CB -0.892 18.128 19.000 0.033 0.000 0.822 282 A HN 0.475 nan 8.150 nan 0.000 0.444 283 L N -1.201 120.060 121.223 0.062 0.000 1.994 283 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 283 L C 2.917 179.855 176.870 0.113 0.000 1.071 283 L CA 1.704 56.597 54.840 0.088 0.000 0.745 283 L CB -0.551 41.553 42.059 0.075 0.000 0.892 283 L HN 0.347 nan 8.230 nan 0.000 0.431 284 R N -0.038 120.495 120.500 0.055 0.000 2.096 284 R HA -0.150 4.189 4.340 -0.002 0.000 0.235 284 R C 2.623 179.025 176.300 0.170 0.000 1.127 284 R CA 1.680 57.825 56.100 0.075 0.000 0.968 284 R CB -0.478 29.791 30.300 -0.053 0.000 0.861 284 R HN 0.517 nan 8.270 nan 0.000 0.440 285 S N 1.073 116.871 115.700 0.163 0.000 2.368 285 S HA -0.093 4.375 4.470 -0.002 0.000 0.225 285 S C 1.983 176.790 174.600 0.345 0.000 1.030 285 S CA 0.953 59.343 58.200 0.317 0.000 0.999 285 S CB -0.389 62.957 63.200 0.244 0.000 0.844 285 S HN 0.254 nan 8.310 nan 0.000 0.459 286 L N 0.906 122.291 121.223 0.270 0.000 2.478 286 L HA 0.249 4.588 4.340 -0.002 0.000 0.223 286 L C 1.988 179.130 176.870 0.453 0.000 1.140 286 L CA 0.559 55.587 54.840 0.313 0.000 0.842 286 L CB -0.731 41.523 42.059 0.326 0.000 0.953 286 L HN 0.693 nan 8.230 nan 0.000 0.452 287 G N 0.467 109.514 108.800 0.411 0.000 2.163 287 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.213 287 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.213 287 G C 0.132 175.221 174.900 0.316 0.000 0.991 287 G CA -0.534 44.831 45.100 0.440 0.000 0.653 287 G HN 0.223 nan 8.290 nan 0.000 0.518 288 I N 2.359 123.051 120.570 0.204 0.000 2.301 288 I HA 0.269 4.437 4.170 -0.002 0.000 0.292 288 I C -2.012 174.200 176.117 0.158 0.000 1.046 288 I CA -2.231 59.126 61.300 0.095 0.000 1.282 288 I CB 1.333 39.339 38.000 0.010 0.000 1.409 288 I HN -0.153 nan 8.210 nan 0.000 0.484 289 P HA 0.004 nan 4.420 nan 0.000 0.262 289 P C -0.746 176.704 177.300 0.250 0.000 1.182 289 P CA 0.297 63.487 63.100 0.149 0.000 0.761 289 P CB 0.542 32.242 31.700 -0.000 0.000 0.795 290 S N 2.715 118.556 115.700 0.235 0.000 2.596 290 S HA 0.872 5.341 4.470 -0.002 0.000 0.270 290 S C -0.974 173.642 174.600 0.026 0.000 1.155 290 S CA -1.062 57.254 58.200 0.193 0.000 0.827 290 S CB 2.509 65.776 63.200 0.111 0.000 1.130 290 S HN 0.591 nan 8.310 nan 0.000 0.467 291 R N -0.524 119.900 120.500 -0.128 0.000 2.734 291 R HA 0.789 5.127 4.340 -0.002 0.000 0.271 291 R C -1.975 174.246 176.300 -0.132 0.000 1.021 291 R CA -1.117 54.887 56.100 -0.160 0.000 0.893 291 R CB 1.042 31.123 30.300 -0.365 0.000 1.244 291 R HN 0.447 nan 8.270 nan 0.000 0.464 292 V N 2.400 122.280 119.914 -0.057 0.000 2.427 292 V HA 0.427 4.546 4.120 -0.002 0.000 0.286 292 V C -0.030 175.981 176.094 -0.138 0.000 1.034 292 V CA -0.748 61.518 62.300 -0.057 0.000 0.893 292 V CB 1.422 33.266 31.823 0.035 0.000 0.982 292 V HN 0.512 nan 8.190 nan 0.000 0.452 293 I N 3.443 123.841 120.570 -0.287 0.000 2.474 293 I HA 0.465 4.634 4.170 -0.002 0.000 0.294 293 I C 0.120 175.840 176.117 -0.662 0.000 1.005 293 I CA -0.161 60.846 61.300 -0.489 0.000 1.113 293 I CB 2.027 39.598 38.000 -0.714 0.000 1.289 293 I HN 0.528 nan 8.210 nan 0.000 0.436 294 T N 5.708 119.949 114.554 -0.521 0.000 2.786 294 T HA 0.266 4.615 4.350 -0.002 0.000 0.283 294 T C -0.032 174.301 174.700 -0.612 0.000 0.992 294 T CA -0.604 61.169 62.100 -0.544 0.000 0.954 294 T CB 1.033 69.661 68.868 -0.401 0.000 0.934 294 T HN 0.544 nan 8.240 nan 0.000 0.440 295 N N 3.323 121.619 118.700 -0.674 0.000 2.424 295 N HA 0.382 5.121 4.740 -0.002 0.000 0.271 295 N C -1.061 174.323 175.510 -0.211 0.000 0.985 295 N CA -0.453 52.342 53.050 -0.426 0.000 0.921 295 N CB 0.700 38.916 38.487 -0.451 0.000 1.149 295 N HN 0.283 nan 8.380 nan 0.000 0.492 296 F N 2.167 122.164 119.950 0.078 0.000 2.384 296 F HA 0.273 4.799 4.527 -0.002 0.000 0.338 296 F C 0.848 176.739 175.800 0.151 0.000 1.103 296 F CA -0.443 57.678 58.000 0.202 0.000 1.157 296 F CB 0.718 39.843 39.000 0.209 0.000 1.167 296 F HN 0.520 nan 8.300 nan 0.000 0.529 297 N N 0.682 119.594 118.700 0.352 0.000 2.726 297 N HA -0.223 4.516 4.740 -0.002 0.000 0.253 297 N C -0.643 174.959 175.510 0.154 0.000 1.059 297 N CA 0.425 53.611 53.050 0.228 0.000 0.701 297 N CB -1.221 37.361 38.487 0.158 0.000 0.899 297 N HN 0.431 nan 8.380 nan 0.000 0.548 298 S N -0.534 115.271 115.700 0.176 0.000 2.465 298 S HA 0.719 5.188 4.470 -0.002 0.000 0.279 298 S C 0.428 175.011 174.600 -0.028 0.000 1.201 298 S CA -0.124 58.125 58.200 0.082 0.000 1.053 298 S CB 0.554 63.844 63.200 0.149 0.000 0.953 298 S HN 0.489 nan 8.310 nan 0.000 0.488 299 A N 3.872 126.649 122.820 -0.072 0.000 2.316 299 A HA 0.411 4.730 4.320 -0.002 0.000 0.284 299 A C -0.270 177.229 177.584 -0.143 0.000 1.115 299 A CA -0.449 51.547 52.037 -0.067 0.000 0.812 299 A CB 0.226 19.213 19.000 -0.021 0.000 1.064 299 A HN 1.017 nan 8.150 nan 0.000 0.489 300 H N 1.646 120.624 119.070 -0.154 0.000 2.645 300 H HA 0.242 4.797 4.556 -0.002 0.000 0.257 300 H C -1.116 174.242 175.328 0.051 0.000 1.269 300 H CA -0.710 55.297 56.048 -0.068 0.000 1.409 300 H CB 0.305 30.004 29.762 -0.106 0.000 1.434 300 H HN 0.714 nan 8.280 nan 0.000 0.505 301 D N 3.167 123.736 120.400 0.282 0.000 2.339 301 D HA -0.046 4.593 4.640 -0.002 0.000 0.256 301 D C 1.306 177.741 176.300 0.225 0.000 1.214 301 D CA 0.113 54.225 54.000 0.187 0.000 0.877 301 D CB 1.316 42.205 40.800 0.147 0.000 1.111 301 D HN 0.696 nan 8.370 nan 0.000 0.478 302 T N -0.108 114.472 114.554 0.044 0.000 3.107 302 T HA 0.024 4.373 4.350 -0.002 0.000 0.249 302 T C 0.315 175.021 174.700 0.009 0.000 1.096 302 T CA -0.046 62.046 62.100 -0.014 0.000 1.012 302 T CB 0.038 68.815 68.868 -0.152 0.000 0.977 302 T HN 0.388 nan 8.240 nan 0.000 0.527 303 D N 0.808 121.226 120.400 0.030 0.000 2.760 303 D HA 0.095 4.733 4.640 -0.002 0.000 0.314 303 D C 0.049 176.368 176.300 0.031 0.000 1.464 303 D CA -0.839 53.172 54.000 0.019 0.000 0.797 303 D CB -0.830 39.974 40.800 0.007 0.000 1.149 303 D HN 0.493 nan 8.370 nan 0.000 0.455 304 R N 1.426 121.958 120.500 0.053 0.000 2.670 304 R HA -0.248 4.091 4.340 -0.002 0.000 0.240 304 R C -0.472 175.838 176.300 0.017 0.000 0.829 304 R CA 0.946 57.072 56.100 0.044 0.000 0.606 304 R CB -2.302 28.014 30.300 0.027 0.000 1.372 304 R HN 0.445 nan 8.270 nan 0.000 0.525 305 N N 1.887 120.607 118.700 0.033 0.000 2.167 305 N HA 0.055 4.794 4.740 -0.002 0.000 0.234 305 N C 0.396 175.930 175.510 0.040 0.000 1.312 305 N CA -0.043 53.023 53.050 0.026 0.000 0.861 305 N CB 0.367 38.887 38.487 0.054 0.000 1.217 305 N HN 0.509 nan 8.380 nan 0.000 0.504 306 L N 0.290 121.542 121.223 0.047 0.000 3.843 306 L HA -0.222 4.116 4.340 -0.002 0.000 0.411 306 L C -0.433 176.577 176.870 0.233 0.000 1.205 306 L CA 0.668 55.568 54.840 0.100 0.000 0.945 306 L CB -2.318 39.666 42.059 -0.125 0.000 1.929 306 L HN 0.399 nan 8.230 nan 0.000 0.934 307 S N -0.369 115.434 115.700 0.172 0.000 2.566 307 S HA 0.721 5.190 4.470 -0.002 0.000 0.273 307 S C -0.471 174.207 174.600 0.129 0.000 1.157 307 S CA -0.130 58.173 58.200 0.173 0.000 0.938 307 S CB 1.987 65.298 63.200 0.185 0.000 1.087 307 S HN 0.374 nan 8.310 nan 0.000 0.474 308 V N 1.539 121.520 119.914 0.112 0.000 2.628 308 V HA 0.742 4.860 4.120 -0.002 0.000 0.306 308 V C -0.909 175.248 176.094 0.106 0.000 1.045 308 V CA -0.798 61.560 62.300 0.096 0.000 0.905 308 V CB 1.860 33.727 31.823 0.074 0.000 0.997 308 V HN 0.801 nan 8.190 nan 0.000 0.436 309 D N 2.634 123.105 120.400 0.119 0.000 2.192 309 D HA 0.636 5.275 4.640 -0.002 0.000 0.246 309 D C -0.794 175.529 176.300 0.037 0.000 1.042 309 D CA -0.185 53.886 54.000 0.118 0.000 0.847 309 D CB 2.604 43.450 40.800 0.077 0.000 1.186 309 D HN 0.487 nan 8.370 nan 0.000 0.461 310 V N 2.439 122.333 119.914 -0.035 0.000 2.540 310 V HA 0.323 4.442 4.120 -0.002 0.000 0.302 310 V C -1.046 174.944 176.094 -0.173 0.000 1.035 310 V CA -0.752 61.513 62.300 -0.059 0.000 0.873 310 V CB 1.136 32.947 31.823 -0.019 0.000 0.992 310 V HN 0.398 nan 8.190 nan 0.000 0.428 311 Y N 3.562 123.732 120.300 -0.218 0.000 2.468 311 Y HA 0.784 5.332 4.550 -0.002 0.000 0.342 311 Y C -0.547 175.074 175.900 -0.465 0.000 1.021 311 Y CA -0.988 57.002 58.100 -0.184 0.000 1.079 311 Y CB 1.799 40.141 38.460 -0.197 0.000 1.226 311 Y HN 0.535 nan 8.280 nan 0.000 0.460 312 Y N -0.003 120.358 120.300 0.102 0.000 2.588 312 Y HA 0.357 4.906 4.550 -0.002 0.000 0.343 312 Y C -0.766 175.150 175.900 0.026 0.000 1.065 312 Y CA -1.520 56.595 58.100 0.025 0.000 1.038 312 Y CB 1.752 40.211 38.460 -0.000 0.000 1.297 312 Y HN 0.628 nan 8.280 nan 0.000 0.467 313 D N 0.198 120.718 120.400 0.200 0.000 2.385 313 D HA 0.387 5.026 4.640 -0.002 0.000 0.254 313 D C -2.434 173.945 176.300 0.132 0.000 1.053 313 D CA -2.409 51.677 54.000 0.143 0.000 0.992 313 D CB 1.149 42.032 40.800 0.138 0.000 1.145 313 D HN 0.101 nan 8.370 nan 0.000 0.523 314 P HA -0.061 nan 4.420 nan 0.000 0.221 314 P C 1.116 178.483 177.300 0.111 0.000 1.145 314 P CA 1.341 64.528 63.100 0.144 0.000 0.795 314 P CB 0.016 31.826 31.700 0.184 0.000 0.775 315 M N -2.825 116.841 119.600 0.109 0.000 2.595 315 M HA 0.178 4.657 4.480 -0.002 0.000 0.248 315 M C 1.165 177.529 176.300 0.107 0.000 1.119 315 M CA 1.038 56.394 55.300 0.093 0.000 1.079 315 M CB -0.328 32.326 32.600 0.091 0.000 1.472 315 M HN 0.045 nan 8.290 nan 0.000 0.501 316 G N 0.867 109.746 108.800 0.131 0.000 2.144 316 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.218 316 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.218 316 G C -0.351 174.695 174.900 0.243 0.000 0.988 316 G CA -0.514 44.675 45.100 0.148 0.000 0.659 316 G HN 0.441 nan 8.290 nan 0.000 0.522 317 N N 1.577 120.418 118.700 0.236 0.000 2.472 317 N HA 0.431 5.170 4.740 -0.002 0.000 0.277 317 N C -2.717 172.823 175.510 0.049 0.000 1.081 317 N CA -1.016 52.146 53.050 0.188 0.000 0.973 317 N CB 1.562 40.155 38.487 0.177 0.000 1.105 317 N HN 0.094 nan 8.380 nan 0.000 0.470 318 P HA 0.208 nan 4.420 nan 0.000 0.275 318 P C -0.290 176.708 177.300 -0.503 0.000 1.228 318 P CA -0.074 62.778 63.100 -0.412 0.000 0.786 318 P CB 0.896 32.345 31.700 -0.418 0.000 0.927 319 L N 2.573 123.530 121.223 -0.443 0.000 2.322 319 L HA 0.265 4.603 4.340 -0.002 0.000 0.279 319 L C 1.448 178.097 176.870 -0.367 0.000 1.036 319 L CA -0.491 54.132 54.840 -0.363 0.000 0.807 319 L CB 0.911 42.800 42.059 -0.284 0.000 1.226 319 L HN 0.383 nan 8.230 nan 0.000 0.433 320 D N 0.897 121.090 120.400 -0.346 0.000 2.172 320 D HA -0.163 4.476 4.640 -0.002 0.000 0.196 320 D C 0.804 176.947 176.300 -0.261 0.000 0.999 320 D CA 1.613 55.441 54.000 -0.287 0.000 0.856 320 D CB 0.238 40.898 40.800 -0.233 0.000 0.934 320 D HN 0.262 nan 8.370 nan 0.000 0.453 321 K N 0.154 120.363 120.400 -0.320 0.000 2.412 321 K HA 0.185 4.504 4.320 -0.002 0.000 0.281 321 K C 0.832 177.324 176.600 -0.179 0.000 1.027 321 K CA 0.772 56.859 56.287 -0.334 0.000 0.989 321 K CB 0.643 32.786 32.500 -0.594 0.000 0.935 321 K HN 0.137 nan 8.250 nan 0.000 0.475 322 G N 2.399 111.150 108.800 -0.081 0.000 2.189 322 G HA2 -0.369 3.589 3.960 -0.002 0.000 0.267 322 G HA3 -0.369 3.589 3.960 -0.002 0.000 0.267 322 G C 1.118 175.995 174.900 -0.038 0.000 0.975 322 G CA 1.051 46.172 45.100 0.035 0.000 0.644 322 G HN 0.716 nan 8.290 nan 0.000 0.537 323 S N 0.955 116.584 115.700 -0.117 0.000 2.359 323 S HA -0.134 4.335 4.470 -0.002 0.000 0.224 323 S C 1.680 176.217 174.600 -0.105 0.000 1.035 323 S CA 2.082 60.187 58.200 -0.158 0.000 1.018 323 S CB -0.221 62.852 63.200 -0.212 0.000 0.876 323 S HN 0.808 nan 8.310 nan 0.000 0.448 324 D N 0.024 120.372 120.400 -0.088 0.000 2.491 324 D HA 0.310 4.948 4.640 -0.002 0.000 0.228 324 D C 0.929 177.307 176.300 0.131 0.000 1.183 324 D CA -0.065 53.898 54.000 -0.062 0.000 0.827 324 D CB -0.084 40.619 40.800 -0.162 0.000 0.989 324 D HN 0.234 nan 8.370 nan 0.000 0.494 325 S N -0.722 115.037 115.700 0.098 0.000 2.470 325 S HA 0.091 4.560 4.470 -0.002 0.000 0.225 325 S C 0.738 175.446 174.600 0.181 0.000 1.006 325 S CA -0.005 58.268 58.200 0.122 0.000 0.934 325 S CB 0.547 63.780 63.200 0.053 0.000 0.778 325 S HN 0.228 nan 8.310 nan 0.000 0.517 326 V N 2.710 122.746 119.914 0.203 0.000 2.380 326 V HA 0.322 4.441 4.120 -0.002 0.000 0.286 326 V C -1.092 175.196 176.094 0.324 0.000 1.015 326 V CA -1.020 61.404 62.300 0.207 0.000 0.834 326 V CB 0.525 32.425 31.823 0.127 0.000 1.009 326 V HN 0.373 nan 8.190 nan 0.000 0.428 327 W N 2.869 124.163 121.300 -0.009 0.000 2.202 327 W HA 0.335 4.993 4.660 -0.002 0.000 0.332 327 W C 1.434 178.002 176.519 0.081 0.000 1.263 327 W CA -0.828 56.499 57.345 -0.030 0.000 1.223 327 W CB -0.322 29.098 29.460 -0.067 0.000 1.128 327 W HN 0.534 nan 8.180 nan 0.000 0.573 328 N N 0.915 119.796 118.700 0.301 0.000 2.205 328 N HA -0.103 4.636 4.740 -0.002 0.000 0.186 328 N C -0.325 175.501 175.510 0.528 0.000 1.015 328 N CA 1.573 54.851 53.050 0.380 0.000 0.862 328 N CB -0.152 38.567 38.487 0.387 0.000 0.986 328 N HN 0.298 nan 8.380 nan 0.000 0.429 329 F N -3.223 116.998 119.950 0.452 0.000 2.703 329 F HA 0.525 5.051 4.527 -0.002 0.000 0.308 329 F C -1.323 174.789 175.800 0.520 0.000 1.126 329 F CA -1.408 56.701 58.000 0.181 0.000 0.959 329 F CB 0.934 39.747 39.000 -0.312 0.000 1.297 329 F HN -0.200 nan 8.300 nan 0.000 0.441 330 H N 1.022 120.343 119.070 0.419 0.000 2.865 330 H HA 0.814 5.369 4.556 -0.002 0.000 0.362 330 H C -2.070 173.406 175.328 0.247 0.000 1.114 330 H CA -1.079 55.241 56.048 0.453 0.000 1.208 330 H CB 2.176 32.043 29.762 0.174 0.000 1.727 330 H HN 0.723 nan 8.280 nan 0.000 0.534 331 V N 5.605 125.461 119.914 -0.096 0.000 2.513 331 V HA 0.499 4.617 4.120 -0.002 0.000 0.299 331 V C -0.715 175.206 176.094 -0.288 0.000 1.035 331 V CA -0.390 61.764 62.300 -0.243 0.000 0.889 331 V CB 0.811 32.683 31.823 0.082 0.000 0.988 331 V HN 0.887 nan 8.190 nan 0.000 0.440 332 W N 3.432 124.575 121.300 -0.260 0.000 3.307 332 W HA 0.744 5.403 4.660 -0.002 0.000 0.376 332 W C -1.298 175.175 176.519 -0.076 0.000 1.113 332 W CA -1.051 56.194 57.345 -0.167 0.000 1.087 332 W CB 0.732 30.091 29.460 -0.168 0.000 1.511 332 W HN 0.396 nan 8.180 nan 0.000 0.604 333 N N -0.157 118.797 118.700 0.423 0.000 2.380 333 N HA 0.523 5.262 4.740 -0.002 0.000 0.290 333 N C -1.732 173.961 175.510 0.305 0.000 1.236 333 N CA -1.058 52.133 53.050 0.235 0.000 0.780 333 N CB 2.236 40.805 38.487 0.137 0.000 1.438 333 N HN 0.438 nan 8.380 nan 0.000 0.491 334 E N -0.542 119.745 120.200 0.145 0.000 2.256 334 E HA 0.576 4.925 4.350 -0.002 0.000 0.268 334 E C -0.884 175.881 176.600 0.275 0.000 0.877 334 E CA -0.957 55.547 56.400 0.173 0.000 0.757 334 E CB 2.086 31.763 29.700 -0.039 0.000 1.183 334 E HN 0.592 nan 8.360 nan 0.000 0.418 335 G N 1.933 110.903 108.800 0.284 0.000 2.420 335 G HA2 0.322 4.280 3.960 -0.002 0.000 0.331 335 G HA3 0.322 4.280 3.960 -0.002 0.000 0.331 335 G C -1.496 173.440 174.900 0.061 0.000 1.168 335 G CA -0.534 44.745 45.100 0.298 0.000 0.936 335 G HN 0.442 nan 8.290 nan 0.000 0.479 336 W N 4.122 125.324 121.300 -0.163 0.000 2.329 336 W HA 0.634 5.293 4.660 -0.002 0.000 0.312 336 W C -1.794 174.581 176.519 -0.240 0.000 1.054 336 W CA -1.227 55.793 57.345 -0.541 0.000 1.245 336 W CB 0.814 29.748 29.460 -0.876 0.000 1.255 336 W HN 0.450 nan 8.180 nan 0.000 0.436 337 F N 3.142 122.735 119.950 -0.594 0.000 2.769 337 F HA 0.415 4.940 4.527 -0.002 0.000 0.313 337 F C -0.678 174.861 175.800 -0.436 0.000 1.146 337 F CA -1.681 56.056 58.000 -0.440 0.000 0.934 337 F CB -0.369 38.501 39.000 -0.218 0.000 1.283 337 F HN 0.133 nan 8.300 nan 0.000 0.443 338 V N 0.190 120.068 119.914 -0.059 0.000 3.051 338 V HA 0.595 4.713 4.120 -0.002 0.000 0.306 338 V C -0.049 176.097 176.094 0.086 0.000 1.083 338 V CA -0.594 61.665 62.300 -0.070 0.000 1.104 338 V CB 0.947 32.757 31.823 -0.021 0.000 1.027 338 V HN 0.859 nan 8.190 nan 0.000 0.483 339 R N 2.557 123.085 120.500 0.047 0.000 2.505 339 R HA 0.316 4.655 4.340 -0.002 0.000 0.284 339 R C 1.297 177.645 176.300 0.081 0.000 1.324 339 R CA 0.451 56.614 56.100 0.104 0.000 1.432 339 R CB 0.739 31.090 30.300 0.086 0.000 1.107 339 R HN 1.087 nan 8.270 nan 0.000 0.587 340 S N 0.119 115.867 115.700 0.080 0.000 2.442 340 S HA -0.167 4.301 4.470 -0.002 0.000 0.236 340 S C 1.133 175.764 174.600 0.051 0.000 1.007 340 S CA 1.345 59.581 58.200 0.060 0.000 0.965 340 S CB 0.003 63.238 63.200 0.058 0.000 0.773 340 S HN 0.518 nan 8.310 nan 0.000 0.504 341 D N 1.175 121.608 120.400 0.056 0.000 2.347 341 D HA 0.036 4.675 4.640 -0.002 0.000 0.213 341 D C 1.593 177.883 176.300 -0.016 0.000 0.985 341 D CA 0.311 54.326 54.000 0.025 0.000 0.879 341 D CB -0.225 40.599 40.800 0.039 0.000 0.919 341 D HN 0.508 nan 8.370 nan 0.000 0.526 342 L N -1.028 120.197 121.223 0.003 0.000 2.653 342 L HA 0.437 4.776 4.340 -0.002 0.000 0.230 342 L C 1.165 178.104 176.870 0.115 0.000 1.055 342 L CA 0.302 55.123 54.840 -0.031 0.000 0.880 342 L CB 0.520 42.501 42.059 -0.130 0.000 1.195 342 L HN 0.253 nan 8.230 nan 0.000 0.492 343 G N 0.166 109.048 108.800 0.136 0.000 2.355 343 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.619 343 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.619 343 G C -2.547 172.415 174.900 0.102 0.000 1.337 343 G CA -0.290 44.891 45.100 0.135 0.000 0.993 343 G HN -0.175 nan 8.290 nan 0.000 0.599 344 P HA -0.027 nan 4.420 nan 0.000 0.223 344 P C 1.558 178.805 177.300 -0.088 0.000 1.151 344 P CA 1.871 64.957 63.100 -0.023 0.000 0.787 344 P CB 0.030 31.717 31.700 -0.022 0.000 0.788 345 S N -2.390 113.210 115.700 -0.166 0.000 2.593 345 S HA 0.026 4.494 4.470 -0.002 0.000 0.217 345 S C 1.143 175.452 174.600 -0.485 0.000 0.966 345 S CA -0.149 57.843 58.200 -0.347 0.000 0.914 345 S CB -0.985 61.938 63.200 -0.461 0.000 0.776 345 S HN 0.158 nan 8.310 nan 0.000 0.523 346 Y N 1.866 122.116 120.300 -0.084 0.000 2.584 346 Y HA 0.473 5.022 4.550 -0.002 0.000 0.254 346 Y C 1.647 177.444 175.900 -0.171 0.000 1.177 346 Y CA -0.702 57.336 58.100 -0.103 0.000 1.216 346 Y CB -0.014 38.403 38.460 -0.072 0.000 1.172 346 Y HN 0.374 nan 8.280 nan 0.000 0.529 347 G N -0.129 108.598 108.800 -0.123 0.000 2.588 347 G HA2 0.468 4.427 3.960 -0.002 0.000 0.278 347 G HA3 0.468 4.427 3.960 -0.002 0.000 0.278 347 G C 0.571 175.153 174.900 -0.531 0.000 1.307 347 G CA 0.399 45.318 45.100 -0.303 0.000 1.016 347 G HN 0.548 nan 8.290 nan 0.000 0.503 348 G N -1.532 106.653 108.800 -1.025 0.000 2.464 348 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.216 348 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.216 348 G C -0.291 173.941 174.900 -1.115 0.000 1.186 348 G CA -0.220 43.920 45.100 -1.599 0.000 1.010 348 G HN 0.801 nan 8.290 nan 0.000 0.585 349 W N 2.157 123.256 121.300 -0.334 0.000 2.253 349 W HA 0.568 5.227 4.660 -0.002 0.000 0.322 349 W C 0.505 176.841 176.519 -0.305 0.000 1.342 349 W CA -0.203 57.036 57.345 -0.177 0.000 1.218 349 W CB 0.745 30.185 29.460 -0.034 0.000 1.205 349 W HN 0.355 nan 8.180 nan 0.000 0.551 350 Q N 2.809 122.574 119.800 -0.058 0.000 2.321 350 Q HA 0.290 4.629 4.340 -0.002 0.000 0.270 350 Q C -0.662 175.362 176.000 0.041 0.000 1.032 350 Q CA -1.002 54.718 55.803 -0.140 0.000 0.784 350 Q CB 1.926 30.372 28.738 -0.487 0.000 1.264 350 Q HN 0.235 nan 8.270 nan 0.000 0.448 351 V N 4.079 124.033 119.914 0.067 0.000 2.529 351 V HA 0.149 4.268 4.120 -0.002 0.000 0.292 351 V C 0.253 176.376 176.094 0.049 0.000 1.028 351 V CA 0.314 62.659 62.300 0.075 0.000 1.074 351 V CB 0.071 31.859 31.823 -0.058 0.000 0.958 351 V HN 0.543 nan 8.190 nan 0.000 0.481 352 L N 4.809 126.085 121.223 0.089 0.000 2.409 352 L HA 0.609 4.947 4.340 -0.002 0.000 0.272 352 L C -0.961 175.961 176.870 0.087 0.000 0.980 352 L CA -0.404 54.483 54.840 0.078 0.000 0.826 352 L CB 2.253 44.383 42.059 0.120 0.000 1.268 352 L HN 0.541 nan 8.230 nan 0.000 0.407 353 D N 1.885 122.311 120.400 0.044 0.000 2.686 353 D HA 0.454 5.093 4.640 -0.002 0.000 0.249 353 D C 0.135 176.462 176.300 0.045 0.000 1.260 353 D CA -0.312 53.739 54.000 0.086 0.000 0.910 353 D CB 2.438 43.279 40.800 0.068 0.000 1.323 353 D HN 0.562 nan 8.370 nan 0.000 0.561 354 A N 2.757 125.611 122.820 0.057 0.000 2.218 354 A HA 0.139 4.458 4.320 -0.002 0.000 0.209 354 A C 0.973 178.404 177.584 -0.256 0.000 1.168 354 A CA 0.278 52.309 52.037 -0.010 0.000 0.804 354 A CB -0.050 19.008 19.000 0.096 0.000 0.834 354 A HN 0.470 nan 8.150 nan 0.000 0.482 355 T N 3.728 118.127 114.554 -0.259 0.000 2.853 355 T HA 0.288 4.637 4.350 -0.002 0.000 0.298 355 T C -2.502 171.974 174.700 -0.372 0.000 0.978 355 T CA -0.468 61.293 62.100 -0.566 0.000 1.152 355 T CB 0.721 69.631 68.868 0.070 0.000 0.914 355 T HN 0.214 nan 8.240 nan 0.000 0.539 356 P HA 0.177 nan 4.420 nan 0.000 0.268 356 P C -0.078 177.037 177.300 -0.309 0.000 1.485 356 P CA 0.054 62.930 63.100 -0.373 0.000 1.102 356 P CB 0.659 31.972 31.700 -0.646 0.000 1.501 357 Q N 0.980 120.678 119.800 -0.171 0.000 2.606 357 Q HA 0.109 4.448 4.340 -0.002 0.000 0.215 357 Q C 0.114 176.052 176.000 -0.103 0.000 0.908 357 Q CA 0.403 56.034 55.803 -0.287 0.000 0.908 357 Q CB 0.486 28.817 28.738 -0.677 0.000 1.120 357 Q HN 0.325 nan 8.270 nan 0.000 0.628 358 E N 0.710 120.719 120.200 -0.319 0.000 2.222 358 E HA 0.288 4.637 4.350 -0.002 0.000 0.267 358 E C -1.261 175.134 176.600 -0.340 0.000 0.884 358 E CA -0.331 55.858 56.400 -0.352 0.000 0.764 358 E CB 1.191 30.381 29.700 -0.850 0.000 1.169 358 E HN -0.007 nan 8.360 nan 0.000 0.413 359 R N 1.652 121.865 120.500 -0.479 0.000 2.594 359 R HA 0.410 4.749 4.340 -0.002 0.000 0.272 359 R C -0.544 175.547 176.300 -0.349 0.000 1.074 359 R CA -0.079 55.639 56.100 -0.637 0.000 1.105 359 R CB 1.018 30.911 30.300 -0.679 0.000 1.008 359 R HN 0.337 nan 8.270 nan 0.000 0.472 360 S N 1.674 117.208 115.700 -0.277 0.000 2.779 360 S HA 0.111 4.579 4.470 -0.002 0.000 0.293 360 S C -0.828 173.700 174.600 -0.120 0.000 1.150 360 S CA -0.532 57.573 58.200 -0.157 0.000 1.057 360 S CB 0.719 63.851 63.200 -0.112 0.000 1.021 360 S HN 0.722 nan 8.310 nan 0.000 0.485 361 Q N 2.848 122.596 119.800 -0.086 0.000 2.478 361 Q HA -0.229 4.110 4.340 -0.002 0.000 0.286 361 Q C 0.951 176.902 176.000 -0.083 0.000 1.299 361 Q CA 0.945 56.713 55.803 -0.057 0.000 0.826 361 Q CB -1.901 26.827 28.738 -0.017 0.000 1.199 361 Q HN 1.613 nan 8.270 nan 0.000 0.451 362 G N -2.273 106.452 108.800 -0.126 0.000 2.299 362 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.237 362 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.237 362 G C 0.232 175.017 174.900 -0.193 0.000 1.027 362 G CA 0.456 45.475 45.100 -0.135 0.000 0.619 362 G HN 1.178 nan 8.290 nan 0.000 0.513 363 V N -2.666 117.125 119.914 -0.206 0.000 3.126 363 V HA 0.869 4.988 4.120 -0.002 0.000 0.314 363 V C 0.098 176.004 176.094 -0.313 0.000 1.138 363 V CA -1.839 60.327 62.300 -0.223 0.000 1.034 363 V CB 1.578 33.363 31.823 -0.063 0.000 1.075 363 V HN 0.383 nan 8.190 nan 0.000 0.442 364 F N 3.191 123.100 119.950 -0.070 0.000 2.494 364 F HA 0.526 5.051 4.527 -0.002 0.000 0.351 364 F C 0.745 176.480 175.800 -0.109 0.000 1.205 364 F CA 0.300 58.238 58.000 -0.104 0.000 1.125 364 F CB 0.139 39.083 39.000 -0.093 0.000 1.268 364 F HN 0.773 nan 8.300 nan 0.000 0.593 365 Q N 2.163 121.951 119.800 -0.020 0.000 2.462 365 Q HA 0.726 5.065 4.340 -0.002 0.000 0.285 365 Q C -1.744 174.208 176.000 -0.080 0.000 1.035 365 Q CA -1.099 54.672 55.803 -0.054 0.000 0.799 365 Q CB 2.418 31.101 28.738 -0.091 0.000 1.452 365 Q HN 0.461 nan 8.270 nan 0.000 0.404 366 C N 0.873 120.131 119.300 -0.071 0.000 2.817 366 C HA 0.818 5.277 4.460 -0.002 0.000 0.385 366 C C 0.176 175.146 174.990 -0.032 0.000 1.050 366 C CA 1.156 60.144 59.018 -0.050 0.000 1.245 366 C CB 0.478 28.194 27.740 -0.040 0.000 1.706 366 C HN 1.442 nan 8.230 nan 0.000 0.488 367 G N 6.629 115.430 108.800 0.001 0.000 2.655 367 G HA2 0.048 4.007 3.960 -0.002 0.000 0.680 367 G HA3 0.048 4.007 3.960 -0.002 0.000 0.680 367 G C -3.253 171.610 174.900 -0.062 0.000 1.302 367 G CA -0.372 44.752 45.100 0.040 0.000 0.872 367 G HN 0.745 nan 8.290 nan 0.000 0.540 368 P HA 0.512 nan 4.420 nan 0.000 0.276 368 P C -0.363 177.082 177.300 0.242 0.000 1.230 368 P CA 0.579 63.802 63.100 0.204 0.000 0.776 368 P CB 1.480 33.389 31.700 0.349 0.000 0.888 369 A N 2.663 125.555 122.820 0.119 0.000 2.319 369 A HA 0.417 4.736 4.320 -0.002 0.000 0.310 369 A C 0.322 177.920 177.584 0.023 0.000 1.152 369 A CA -0.710 51.370 52.037 0.072 0.000 0.783 369 A CB 0.651 19.677 19.000 0.043 0.000 1.184 369 A HN 0.484 nan 8.150 nan 0.000 0.474 370 S N 2.494 118.198 115.700 0.007 0.000 2.509 370 S HA 0.132 4.601 4.470 -0.002 0.000 0.287 370 S C 1.386 175.987 174.600 0.002 0.000 1.248 370 S CA -0.222 57.979 58.200 0.002 0.000 1.089 370 S CB 0.007 63.248 63.200 0.069 0.000 0.900 370 S HN 0.734 nan 8.310 nan 0.000 0.496 371 V N 7.343 127.223 119.914 -0.057 0.000 2.332 371 V HA -0.196 3.923 4.120 -0.002 0.000 0.248 371 V C 2.174 178.201 176.094 -0.111 0.000 1.055 371 V CA 2.111 64.298 62.300 -0.188 0.000 1.038 371 V CB -0.688 30.937 31.823 -0.330 0.000 0.651 371 V HN 0.914 nan 8.190 nan 0.000 0.450 372 I N 0.680 121.229 120.570 -0.035 0.000 2.208 372 I HA -0.207 3.962 4.170 -0.002 0.000 0.245 372 I C 2.559 178.740 176.117 0.108 0.000 1.097 372 I CA 1.795 63.095 61.300 -0.000 0.000 1.363 372 I CB -0.848 37.133 38.000 -0.033 0.000 1.051 372 I HN 0.420 nan 8.210 nan 0.000 0.413 373 G N 0.102 109.041 108.800 0.233 0.000 2.422 373 G HA2 -0.165 3.793 3.960 -0.002 0.000 0.218 373 G HA3 -0.165 3.793 3.960 -0.002 0.000 0.218 373 G C 1.702 176.715 174.900 0.189 0.000 1.146 373 G CA 0.727 46.003 45.100 0.293 0.000 0.769 373 G HN 0.247 nan 8.290 nan 0.000 0.547 374 V N 0.538 120.542 119.914 0.150 0.000 2.307 374 V HA -0.139 3.980 4.120 -0.002 0.000 0.245 374 V C 2.768 179.041 176.094 0.298 0.000 1.045 374 V CA 2.069 64.514 62.300 0.241 0.000 1.024 374 V CB -0.447 31.483 31.823 0.177 0.000 0.651 374 V HN 0.405 nan 8.190 nan 0.000 0.449 375 R N 0.096 120.689 120.500 0.154 0.000 2.105 375 R HA -0.178 4.161 4.340 -0.002 0.000 0.239 375 R C 1.994 178.468 176.300 0.290 0.000 1.135 375 R CA 1.579 57.760 56.100 0.136 0.000 0.967 375 R CB -0.061 30.215 30.300 -0.041 0.000 0.861 375 R HN 0.458 nan 8.270 nan 0.000 0.442 376 E N -0.874 119.490 120.200 0.273 0.000 2.478 376 E HA 0.051 4.400 4.350 -0.002 0.000 0.194 376 E C 0.908 177.660 176.600 0.254 0.000 1.045 376 E CA 0.797 57.380 56.400 0.306 0.000 0.868 376 E CB 0.541 30.378 29.700 0.228 0.000 0.885 376 E HN 0.596 nan 8.360 nan 0.000 0.505 377 G N 2.359 111.324 108.800 0.276 0.000 2.147 377 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.244 377 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.244 377 G C -0.259 174.594 174.900 -0.078 0.000 1.005 377 G CA 0.208 45.327 45.100 0.031 0.000 0.713 377 G HN 0.154 nan 8.290 nan 0.000 0.515 378 D N 0.879 121.289 120.400 0.017 0.000 2.994 378 D HA 0.215 4.854 4.640 -0.002 0.000 0.240 378 D C 2.061 178.301 176.300 -0.100 0.000 1.195 378 D CA 0.460 54.441 54.000 -0.032 0.000 0.957 378 D CB 0.368 41.188 40.800 0.032 0.000 1.105 378 D HN 0.623 nan 8.370 nan 0.000 0.477 379 V N -0.493 119.330 119.914 -0.151 0.000 3.383 379 V HA -0.168 3.950 4.120 -0.002 0.000 0.272 379 V C 1.922 177.931 176.094 -0.142 0.000 1.181 379 V CA 0.764 62.972 62.300 -0.154 0.000 1.171 379 V CB -0.453 31.224 31.823 -0.243 0.000 0.800 379 V HN 0.234 nan 8.190 nan 0.000 0.515 380 Q N 0.760 120.473 119.800 -0.145 0.000 2.389 380 Q HA 0.146 4.485 4.340 -0.002 0.000 0.204 380 Q C 0.861 176.758 176.000 -0.171 0.000 0.944 380 Q CA 0.389 56.108 55.803 -0.140 0.000 0.908 380 Q CB -0.263 28.401 28.738 -0.123 0.000 1.002 380 Q HN 0.676 nan 8.270 nan 0.000 0.493 381 L N 2.636 123.734 121.223 -0.208 0.000 2.436 381 L HA 0.189 4.528 4.340 -0.002 0.000 0.265 381 L C 0.341 177.041 176.870 -0.284 0.000 1.168 381 L CA -0.645 54.031 54.840 -0.273 0.000 0.815 381 L CB 0.160 41.999 42.059 -0.367 0.000 1.109 381 L HN 0.007 nan 8.230 nan 0.000 0.462 382 N N 1.212 119.654 118.700 -0.429 0.000 2.525 382 N HA 0.400 5.139 4.740 -0.002 0.000 0.271 382 N C -0.917 174.383 175.510 -0.351 0.000 1.194 382 N CA 0.128 52.752 53.050 -0.711 0.000 0.964 382 N CB 0.901 38.364 38.487 -1.707 0.000 1.126 382 N HN 0.215 nan 8.380 nan 0.000 0.452 383 F N -0.449 119.484 119.950 -0.027 0.000 2.563 383 F HA 0.262 4.788 4.527 -0.002 0.000 0.316 383 F C 0.585 176.374 175.800 -0.019 0.000 1.076 383 F CA -0.856 57.130 58.000 -0.024 0.000 0.921 383 F CB 1.089 40.081 39.000 -0.013 0.000 1.209 383 F HN 0.343 nan 8.300 nan 0.000 0.462 384 D N 1.607 122.103 120.400 0.159 0.000 2.751 384 D HA -0.228 4.410 4.640 -0.002 0.000 0.233 384 D C 1.191 177.555 176.300 0.106 0.000 1.149 384 D CA 0.762 54.831 54.000 0.114 0.000 0.682 384 D CB -0.881 39.987 40.800 0.113 0.000 1.068 384 D HN 0.628 nan 8.370 nan 0.000 0.429 385 M N -1.111 118.522 119.600 0.055 0.000 2.200 385 M HA -0.073 4.406 4.480 -0.002 0.000 0.265 385 M C -0.740 175.602 176.300 0.071 0.000 1.066 385 M CA 1.435 56.764 55.300 0.049 0.000 1.127 385 M CB -0.798 31.803 32.600 0.002 0.000 1.379 385 M HN 0.018 nan 8.290 nan 0.000 0.420 386 P HA -0.193 nan 4.420 nan 0.000 0.216 386 P C 1.359 178.728 177.300 0.114 0.000 1.153 386 P CA 1.278 64.400 63.100 0.037 0.000 0.858 386 P CB -0.198 31.508 31.700 0.010 0.000 0.789 387 F N 0.050 119.994 119.950 -0.010 0.000 2.113 387 F HA -0.133 4.393 4.527 -0.002 0.000 0.297 387 F C 2.007 177.772 175.800 -0.058 0.000 1.103 387 F CA 1.425 59.405 58.000 -0.034 0.000 1.248 387 F CB -0.858 38.096 39.000 -0.076 0.000 0.999 387 F HN -0.236 nan 8.300 nan 0.000 0.475 388 I N -0.880 119.551 120.570 -0.232 0.000 2.315 388 I HA -0.271 3.897 4.170 -0.002 0.000 0.248 388 I C 2.341 178.326 176.117 -0.221 0.000 1.117 388 I CA 1.317 62.383 61.300 -0.389 0.000 1.404 388 I CB -0.651 37.216 38.000 -0.222 0.000 1.071 388 I HN 0.184 nan 8.210 nan 0.000 0.419 389 F N 1.866 121.720 119.950 -0.160 0.000 2.095 389 F HA -0.272 4.253 4.527 -0.002 0.000 0.298 389 F C 2.539 178.283 175.800 -0.093 0.000 1.104 389 F CA 1.708 59.666 58.000 -0.072 0.000 1.232 389 F CB -0.239 38.728 39.000 -0.053 0.000 0.987 389 F HN 0.004 nan 8.300 nan 0.000 0.475 390 A N -0.137 122.737 122.820 0.091 0.000 1.933 390 A HA -0.218 4.101 4.320 -0.002 0.000 0.218 390 A C 2.104 179.590 177.584 -0.162 0.000 1.175 390 A CA 1.846 53.890 52.037 0.011 0.000 0.628 390 A CB -0.922 18.086 19.000 0.014 0.000 0.814 390 A HN 0.570 nan 8.150 nan 0.000 0.444 391 E N -0.589 119.390 120.200 -0.367 0.000 2.085 391 E HA -0.173 4.176 4.350 -0.002 0.000 0.194 391 E C 1.932 178.441 176.600 -0.150 0.000 0.994 391 E CA 1.913 58.094 56.400 -0.365 0.000 0.801 391 E CB -0.202 29.155 29.700 -0.572 0.000 0.743 391 E HN 0.686 nan 8.360 nan 0.000 0.453 392 V N -2.287 117.532 119.914 -0.159 0.000 3.644 392 V HA 0.205 4.324 4.120 -0.002 0.000 0.267 392 V C 0.800 176.803 176.094 -0.153 0.000 1.277 392 V CA 0.649 62.883 62.300 -0.111 0.000 1.096 392 V CB 0.422 32.188 31.823 -0.095 0.000 0.828 392 V HN 0.044 nan 8.190 nan 0.000 0.446 393 N N 0.719 119.288 118.700 -0.218 0.000 2.475 393 N HA 0.498 5.236 4.740 -0.002 0.000 0.272 393 N C -0.035 175.544 175.510 0.115 0.000 1.482 393 N CA 0.457 53.422 53.050 -0.143 0.000 0.863 393 N CB 0.933 39.189 38.487 -0.385 0.000 1.400 393 N HN 0.666 nan 8.380 nan 0.000 0.489 394 A N -0.145 122.742 122.820 0.112 0.000 2.351 394 A HA 0.411 4.730 4.320 -0.002 0.000 0.257 394 A C -0.169 177.525 177.584 0.182 0.000 1.087 394 A CA -0.174 52.007 52.037 0.240 0.000 0.798 394 A CB 0.346 19.424 19.000 0.130 0.000 1.033 394 A HN 0.268 nan 8.150 nan 0.000 0.488 395 D N 0.276 120.809 120.400 0.223 0.000 2.264 395 D HA 0.352 4.991 4.640 -0.002 0.000 0.249 395 D C 0.064 176.387 176.300 0.039 0.000 1.070 395 D CA 0.150 54.174 54.000 0.039 0.000 0.912 395 D CB 0.877 41.661 40.800 -0.026 0.000 1.193 395 D HN 0.486 nan 8.370 nan 0.000 0.427 396 R N 2.135 122.623 120.500 -0.021 0.000 2.343 396 R HA 0.458 4.797 4.340 -0.002 0.000 0.320 396 R C -0.760 175.509 176.300 -0.052 0.000 0.956 396 R CA -0.557 55.533 56.100 -0.017 0.000 0.836 396 R CB 0.497 30.777 30.300 -0.032 0.000 1.151 396 R HN 0.404 nan 8.270 nan 0.000 0.450 397 I N 3.537 124.080 120.570 -0.045 0.000 2.336 397 I HA 0.223 4.392 4.170 -0.002 0.000 0.292 397 I C -0.069 175.910 176.117 -0.231 0.000 0.991 397 I CA -0.567 60.624 61.300 -0.181 0.000 1.227 397 I CB 2.129 40.030 38.000 -0.165 0.000 1.366 397 I HN 0.498 nan 8.210 nan 0.000 0.466 398 T N 4.976 119.343 114.554 -0.313 0.000 2.749 398 T HA 0.370 4.719 4.350 -0.002 0.000 0.287 398 T C -0.872 173.607 174.700 -0.368 0.000 0.970 398 T CA -0.339 61.648 62.100 -0.187 0.000 0.980 398 T CB 0.393 69.226 68.868 -0.057 0.000 0.924 398 T HN 0.314 nan 8.240 nan 0.000 0.456 399 W N 2.341 123.476 121.300 -0.275 0.000 2.639 399 W HA 0.664 5.323 4.660 -0.002 0.000 0.347 399 W C -0.635 175.743 176.519 -0.235 0.000 1.067 399 W CA -1.049 56.101 57.345 -0.324 0.000 1.218 399 W CB 0.947 30.054 29.460 -0.588 0.000 1.393 399 W HN 0.173 nan 8.180 nan 0.000 0.557 400 L N 2.453 123.549 121.223 -0.212 0.000 2.329 400 L HA 0.454 4.793 4.340 -0.002 0.000 0.279 400 L C -1.396 175.150 176.870 -0.541 0.000 1.014 400 L CA -1.125 53.376 54.840 -0.565 0.000 0.814 400 L CB 1.297 42.528 42.059 -1.381 0.000 1.257 400 L HN 0.557 nan 8.230 nan 0.000 0.424 401 Y N 2.994 123.066 120.300 -0.380 0.000 2.330 401 Y HA 0.310 4.859 4.550 -0.002 0.000 0.324 401 Y C -0.855 175.006 175.900 -0.065 0.000 1.093 401 Y CA -0.914 57.079 58.100 -0.178 0.000 1.103 401 Y CB 1.336 39.784 38.460 -0.019 0.000 1.183 401 Y HN 0.547 nan 8.280 nan 0.000 0.433 402 D N 5.150 125.345 120.400 -0.342 0.000 2.427 402 D HA 0.150 4.789 4.640 -0.002 0.000 0.226 402 D C 0.382 176.460 176.300 -0.370 0.000 1.076 402 D CA 0.094 54.020 54.000 -0.124 0.000 0.849 402 D CB 0.936 41.807 40.800 0.119 0.000 1.052 402 D HN 0.977 nan 8.370 nan 0.000 0.515 403 N N 1.875 120.520 118.700 -0.092 0.000 2.166 403 N HA -0.201 4.538 4.740 -0.002 0.000 0.186 403 N C 1.798 177.300 175.510 -0.013 0.000 1.019 403 N CA 1.546 54.622 53.050 0.042 0.000 0.856 403 N CB 0.354 38.985 38.487 0.239 0.000 0.993 403 N HN 0.504 nan 8.380 nan 0.000 0.426 404 T N -1.808 112.748 114.554 0.002 0.000 2.665 404 T HA -0.198 4.151 4.350 -0.002 0.000 0.268 404 T C 1.875 176.567 174.700 -0.013 0.000 1.035 404 T CA 2.097 64.201 62.100 0.007 0.000 1.151 404 T CB -1.025 67.854 68.868 0.018 0.000 0.862 404 T HN 0.328 nan 8.240 nan 0.000 0.438 405 T N -2.530 112.003 114.554 -0.036 0.000 3.086 405 T HA 0.478 4.827 4.350 -0.002 0.000 0.250 405 T C 1.772 176.427 174.700 -0.074 0.000 1.074 405 T CA 0.533 62.611 62.100 -0.036 0.000 0.988 405 T CB -0.427 68.433 68.868 -0.014 0.000 0.988 405 T HN 1.046 nan 8.240 nan 0.000 0.530 406 G N 1.861 110.566 108.800 -0.157 0.000 2.269 406 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.277 406 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.277 406 G C -0.098 174.660 174.900 -0.236 0.000 1.008 406 G CA 0.548 45.524 45.100 -0.206 0.000 0.774 406 G HN 0.666 nan 8.290 nan 0.000 0.511 407 K N -0.157 120.102 120.400 -0.235 0.000 2.118 407 K HA 0.597 4.916 4.320 -0.002 0.000 0.254 407 K C 0.311 176.933 176.600 0.037 0.000 0.961 407 K CA -0.605 55.684 56.287 0.004 0.000 0.876 407 K CB 1.317 33.910 32.500 0.155 0.000 1.077 407 K HN 0.528 nan 8.250 nan 0.000 0.440 408 Q N 1.572 121.546 119.800 0.290 0.000 2.359 408 Q HA 0.573 4.912 4.340 -0.002 0.000 0.274 408 Q C -1.791 174.575 176.000 0.610 0.000 1.074 408 Q CA -1.075 54.933 55.803 0.342 0.000 0.810 408 Q CB 1.605 30.573 28.738 0.383 0.000 1.342 408 Q HN 0.716 nan 8.270 nan 0.000 0.427 409 W N 0.558 122.108 121.300 0.416 0.000 3.274 409 W HA 0.534 5.193 4.660 -0.002 0.000 0.327 409 W C -1.199 175.486 176.519 0.275 0.000 1.172 409 W CA -1.120 56.442 57.345 0.360 0.000 1.217 409 W CB 1.206 30.766 29.460 0.166 0.000 1.376 409 W HN 0.553 nan 8.180 nan 0.000 0.507 410 K N 3.111 123.581 120.400 0.117 0.000 2.453 410 K HA -0.138 4.181 4.320 -0.002 0.000 0.280 410 K C 0.876 177.334 176.600 -0.236 0.000 1.045 410 K CA 0.420 56.350 56.287 -0.595 0.000 1.059 410 K CB 0.484 32.624 32.500 -0.600 0.000 0.901 410 K HN 0.719 nan 8.250 nan 0.000 0.475 411 N N 1.352 119.858 118.700 -0.322 0.000 2.436 411 N HA -0.056 4.683 4.740 -0.002 0.000 0.178 411 N C -0.541 174.884 175.510 -0.141 0.000 1.026 411 N CA 0.657 53.628 53.050 -0.131 0.000 0.880 411 N CB 0.510 38.930 38.487 -0.112 0.000 1.061 411 N HN 0.602 nan 8.380 nan 0.000 0.434 412 S N -0.929 114.638 115.700 -0.223 0.000 2.595 412 S HA 0.500 4.969 4.470 -0.002 0.000 0.270 412 S C -1.380 173.104 174.600 -0.194 0.000 1.145 412 S CA -0.859 57.245 58.200 -0.161 0.000 0.825 412 S CB 1.906 65.050 63.200 -0.093 0.000 1.107 412 S HN -0.136 nan 8.310 nan 0.000 0.461 413 V N 2.260 122.096 119.914 -0.131 0.000 2.483 413 V HA 0.603 4.722 4.120 -0.002 0.000 0.297 413 V C -0.839 175.214 176.094 -0.068 0.000 1.027 413 V CA -0.615 61.615 62.300 -0.117 0.000 0.855 413 V CB 1.576 33.334 31.823 -0.109 0.000 0.995 413 V HN 0.919 nan 8.190 nan 0.000 0.424 414 N N 2.682 121.339 118.700 -0.072 0.000 2.476 414 N HA 0.228 4.967 4.740 -0.002 0.000 0.257 414 N C 0.510 175.962 175.510 -0.098 0.000 0.970 414 N CA -0.106 52.908 53.050 -0.059 0.000 0.938 414 N CB 2.096 40.499 38.487 -0.140 0.000 1.144 414 N HN 0.702 nan 8.380 nan 0.000 0.500 415 S N 2.308 117.987 115.700 -0.034 0.000 2.583 415 S HA 0.076 4.545 4.470 -0.002 0.000 0.239 415 S C 0.709 175.292 174.600 -0.028 0.000 0.966 415 S CA -0.251 57.887 58.200 -0.104 0.000 0.973 415 S CB -0.433 62.651 63.200 -0.194 0.000 0.794 415 S HN 0.751 nan 8.310 nan 0.000 0.463 416 H N -2.343 116.682 119.070 -0.074 0.000 3.680 416 H HA 0.248 4.802 4.556 -0.002 0.000 0.260 416 H C 1.297 176.596 175.328 -0.048 0.000 1.183 416 H CA 0.582 56.594 56.048 -0.060 0.000 1.159 416 H CB -0.240 29.488 29.762 -0.057 0.000 1.567 416 H HN 0.360 nan 8.280 nan 0.000 0.648 417 T N 1.117 115.268 114.554 -0.671 0.000 2.942 417 T HA 0.196 4.545 4.350 -0.002 0.000 0.265 417 T C 0.940 175.551 174.700 -0.148 0.000 1.062 417 T CA 0.028 61.877 62.100 -0.417 0.000 1.139 417 T CB -0.283 68.337 68.868 -0.413 0.000 0.883 417 T HN 0.213 nan 8.240 nan 0.000 0.468 418 I N 1.434 121.938 120.570 -0.110 0.000 2.474 418 I HA 0.406 4.575 4.170 -0.002 0.000 0.287 418 I C 1.049 177.147 176.117 -0.032 0.000 1.048 418 I CA 0.245 61.523 61.300 -0.036 0.000 1.383 418 I CB 0.893 38.880 38.000 -0.022 0.000 1.412 418 I HN 0.400 nan 8.210 nan 0.000 0.531 419 G N 5.539 114.338 108.800 -0.002 0.000 2.587 419 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.274 419 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.274 419 G C -0.384 174.491 174.900 -0.041 0.000 1.046 419 G CA -0.584 44.505 45.100 -0.019 0.000 1.308 419 G HN 0.682 nan 8.290 nan 0.000 0.529 420 R N -0.111 120.386 120.500 -0.006 0.000 2.837 420 R HA 0.550 4.889 4.340 -0.002 0.000 0.271 420 R C 0.394 176.694 176.300 0.000 0.000 0.993 420 R CA -1.247 54.764 56.100 -0.147 0.000 0.931 420 R CB 1.244 31.383 30.300 -0.267 0.000 1.206 420 R HN 0.508 nan 8.270 nan 0.000 0.474 421 Y N 0.302 120.620 120.300 0.030 0.000 3.152 421 Y HA -0.253 4.296 4.550 -0.002 0.000 0.212 421 Y C 0.230 176.182 175.900 0.086 0.000 1.198 421 Y CA -0.220 57.877 58.100 -0.005 0.000 1.220 421 Y CB -1.682 36.676 38.460 -0.169 0.000 1.326 421 Y HN 0.467 nan 8.280 nan 0.000 0.562 422 I N 1.160 121.785 120.570 0.091 0.000 2.752 422 I HA -0.051 4.118 4.170 -0.002 0.000 0.286 422 I C 0.588 176.666 176.117 -0.065 0.000 1.180 422 I CA 0.849 62.113 61.300 -0.061 0.000 1.404 422 I CB 0.219 38.103 38.000 -0.194 0.000 1.389 422 I HN 0.195 nan 8.210 nan 0.000 0.549 423 S N 4.108 119.745 115.700 -0.106 0.000 2.600 423 S HA 0.715 5.183 4.470 -0.002 0.000 0.300 423 S C -0.234 174.288 174.600 -0.131 0.000 1.087 423 S CA -0.689 57.400 58.200 -0.185 0.000 0.965 423 S CB 2.471 65.440 63.200 -0.384 0.000 1.089 423 S HN 0.688 nan 8.310 nan 0.000 0.496 424 T N 0.842 115.340 114.554 -0.094 0.000 2.889 424 T HA 0.373 4.722 4.350 -0.002 0.000 0.315 424 T C -1.414 173.430 174.700 0.239 0.000 1.291 424 T CA -0.769 61.379 62.100 0.079 0.000 1.028 424 T CB 1.182 70.016 68.868 -0.057 0.000 1.235 424 T HN 0.624 nan 8.240 nan 0.000 0.491 425 K N 2.559 123.177 120.400 0.364 0.000 2.451 425 K HA 0.522 4.841 4.320 -0.002 0.000 0.280 425 K C 0.407 177.120 176.600 0.187 0.000 1.020 425 K CA -0.265 56.225 56.287 0.339 0.000 1.008 425 K CB 0.369 32.994 32.500 0.209 0.000 0.917 425 K HN 0.697 nan 8.250 nan 0.000 0.478 426 A N 3.435 126.343 122.820 0.146 0.000 2.406 426 A HA 0.163 4.481 4.320 -0.002 0.000 0.243 426 A C -0.262 177.340 177.584 0.029 0.000 1.082 426 A CA -0.560 51.521 52.037 0.072 0.000 0.786 426 A CB 0.469 19.499 19.000 0.050 0.000 1.029 426 A HN 0.572 nan 8.150 nan 0.000 0.495 427 V N 1.711 121.612 119.914 -0.022 0.000 2.479 427 V HA 0.426 4.544 4.120 -0.002 0.000 0.281 427 V C 1.603 177.654 176.094 -0.072 0.000 1.031 427 V CA 1.456 63.688 62.300 -0.114 0.000 1.038 427 V CB -0.111 31.612 31.823 -0.166 0.000 0.981 427 V HN 1.912 nan 8.190 nan 0.000 0.478 428 G N 4.041 112.797 108.800 -0.072 0.000 2.184 428 G HA2 -0.237 3.721 3.960 -0.002 0.000 0.264 428 G HA3 -0.237 3.721 3.960 -0.002 0.000 0.264 428 G C 0.262 175.157 174.900 -0.008 0.000 0.975 428 G CA 0.679 45.756 45.100 -0.038 0.000 0.642 428 G HN 1.485 nan 8.290 nan 0.000 0.536 429 S N -2.045 113.658 115.700 0.005 0.000 2.705 429 S HA 0.571 5.039 4.470 -0.002 0.000 0.280 429 S C 0.232 174.856 174.600 0.039 0.000 1.174 429 S CA 0.034 58.245 58.200 0.018 0.000 0.823 429 S CB 0.885 64.095 63.200 0.017 0.000 1.162 429 S HN 0.159 nan 8.310 nan 0.000 0.487 430 N N 0.297 119.022 118.700 0.041 0.000 2.336 430 N HA 0.304 5.043 4.740 -0.002 0.000 0.189 430 N C 0.563 176.156 175.510 0.137 0.000 1.113 430 N CA 0.067 53.151 53.050 0.057 0.000 0.858 430 N CB 0.235 38.730 38.487 0.012 0.000 0.970 430 N HN 0.770 nan 8.380 nan 0.000 0.471 431 A N 1.551 124.440 122.820 0.115 0.000 2.466 431 A HA 0.050 4.369 4.320 -0.002 0.000 0.238 431 A C 0.507 178.203 177.584 0.186 0.000 1.074 431 A CA -0.002 52.107 52.037 0.119 0.000 0.774 431 A CB 0.259 19.287 19.000 0.047 0.000 1.015 431 A HN 0.312 nan 8.150 nan 0.000 0.498 432 R N 2.227 122.761 120.500 0.057 0.000 2.216 432 R HA 0.394 4.733 4.340 -0.002 0.000 0.332 432 R C -0.480 175.688 176.300 -0.221 0.000 1.056 432 R CA -0.139 55.782 56.100 -0.299 0.000 0.901 432 R CB 0.303 30.191 30.300 -0.687 0.000 1.039 432 R HN 0.820 nan 8.270 nan 0.000 0.456 433 M N 4.970 124.466 119.600 -0.173 0.000 2.088 433 M HA 0.134 4.613 4.480 -0.002 0.000 0.346 433 M C -0.893 175.332 176.300 -0.125 0.000 1.111 433 M CA -0.421 54.821 55.300 -0.096 0.000 1.017 433 M CB 1.102 33.688 32.600 -0.022 0.000 1.568 433 M HN 0.582 nan 8.290 nan 0.000 0.445 434 D N 4.890 125.235 120.400 -0.092 0.000 2.325 434 D HA 0.176 4.815 4.640 -0.002 0.000 0.251 434 D C 0.399 176.690 176.300 -0.015 0.000 1.196 434 D CA -0.018 53.949 54.000 -0.054 0.000 0.866 434 D CB 1.091 41.883 40.800 -0.013 0.000 1.101 434 D HN 0.588 nan 8.370 nan 0.000 0.476 435 V N 1.497 121.411 119.914 -0.001 0.000 3.043 435 V HA 0.133 4.252 4.120 -0.002 0.000 0.357 435 V C 1.532 177.699 176.094 0.122 0.000 1.372 435 V CA -0.330 62.000 62.300 0.049 0.000 1.214 435 V CB -0.025 31.826 31.823 0.047 0.000 1.224 435 V HN 0.382 nan 8.190 nan 0.000 0.507 436 T N 2.297 116.894 114.554 0.072 0.000 2.720 436 T HA -0.195 4.154 4.350 -0.002 0.000 0.268 436 T C 1.587 176.338 174.700 0.085 0.000 1.037 436 T CA 2.445 64.589 62.100 0.074 0.000 1.144 436 T CB -0.390 68.482 68.868 0.007 0.000 0.864 436 T HN 0.886 nan 8.240 nan 0.000 0.444 437 D N 1.218 121.642 120.400 0.039 0.000 2.309 437 D HA -0.110 4.528 4.640 -0.002 0.000 0.212 437 D C 1.735 178.018 176.300 -0.028 0.000 0.968 437 D CA 0.779 54.777 54.000 -0.004 0.000 0.882 437 D CB -0.184 40.607 40.800 -0.014 0.000 0.918 437 D HN 0.194 nan 8.370 nan 0.000 0.503 438 K N -0.510 119.903 120.400 0.021 0.000 2.305 438 K HA -0.014 4.305 4.320 -0.002 0.000 0.199 438 K C 1.339 177.876 176.600 -0.105 0.000 1.047 438 K CA 0.406 56.666 56.287 -0.044 0.000 0.976 438 K CB -0.228 32.248 32.500 -0.040 0.000 0.765 438 K HN 0.336 nan 8.250 nan 0.000 0.474 439 Y N 1.149 121.438 120.300 -0.020 0.000 2.497 439 Y HA 0.058 4.607 4.550 -0.002 0.000 0.265 439 Y C 0.695 176.568 175.900 -0.045 0.000 1.111 439 Y CA 0.106 58.202 58.100 -0.006 0.000 1.288 439 Y CB 0.598 39.073 38.460 0.025 0.000 1.082 439 Y HN -0.067 nan 8.280 nan 0.000 0.536 440 K N -2.219 118.221 120.400 0.067 0.000 2.607 440 K HA 0.243 4.561 4.320 -0.002 0.000 0.287 440 K C -1.729 174.857 176.600 -0.023 0.000 0.996 440 K CA -0.881 55.430 56.287 0.040 0.000 0.876 440 K CB 0.756 33.283 32.500 0.045 0.000 1.496 440 K HN -0.163 nan 8.250 nan 0.000 0.415 441 Y N 0.736 121.075 120.300 0.067 0.000 2.299 441 Y HA 0.232 4.781 4.550 -0.002 0.000 0.335 441 Y C -1.910 174.014 175.900 0.039 0.000 1.287 441 Y CA -1.540 56.594 58.100 0.056 0.000 1.424 441 Y CB 0.383 38.883 38.460 0.066 0.000 1.326 441 Y HN 0.438 nan 8.280 nan 0.000 0.567 442 P HA -0.059 nan 4.420 nan 0.000 0.262 442 P C -0.823 176.530 177.300 0.088 0.000 1.182 442 P CA 0.222 63.381 63.100 0.099 0.000 0.761 442 P CB 0.418 32.169 31.700 0.084 0.000 0.795 443 E N 2.353 122.583 120.200 0.050 0.000 2.417 443 E HA 0.199 4.548 4.350 -0.002 0.000 0.261 443 E C 1.533 178.145 176.600 0.020 0.000 1.000 443 E CA 1.188 57.612 56.400 0.040 0.000 0.919 443 E CB 0.093 29.814 29.700 0.035 0.000 0.955 443 E HN 0.778 nan 8.360 nan 0.000 0.455 444 G N 2.848 111.656 108.800 0.013 0.000 2.284 444 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.216 444 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.216 444 G C 0.518 175.420 174.900 0.003 0.000 1.009 444 G CA 0.212 45.306 45.100 -0.009 0.000 0.625 444 G HN 0.673 nan 8.290 nan 0.000 0.501 445 S N 0.575 116.291 115.700 0.027 0.000 2.608 445 S HA 0.483 4.952 4.470 -0.002 0.000 0.261 445 S C 0.827 175.432 174.600 0.009 0.000 1.314 445 S CA 0.551 58.768 58.200 0.028 0.000 0.992 445 S CB 1.313 64.553 63.200 0.066 0.000 0.935 445 S HN 0.104 nan 8.310 nan 0.000 0.564 446 D N 0.663 121.057 120.400 -0.010 0.000 2.194 446 D HA -0.035 4.604 4.640 -0.002 0.000 0.204 446 D C 1.984 178.251 176.300 -0.056 0.000 0.964 446 D CA 1.007 54.992 54.000 -0.025 0.000 0.846 446 D CB -0.352 40.431 40.800 -0.029 0.000 0.962 446 D HN 0.564 nan 8.370 nan 0.000 0.490 447 Q N 0.916 120.650 119.800 -0.112 0.000 2.096 447 Q HA -0.157 4.182 4.340 -0.002 0.000 0.204 447 Q C 1.971 177.860 176.000 -0.186 0.000 0.982 447 Q CA 0.977 56.593 55.803 -0.311 0.000 0.850 447 Q CB -0.299 28.056 28.738 -0.637 0.000 0.901 447 Q HN 0.257 nan 8.270 nan 0.000 0.422 448 E N 0.292 120.499 120.200 0.011 0.000 2.097 448 E HA -0.221 4.128 4.350 -0.002 0.000 0.196 448 E C 1.679 178.367 176.600 0.145 0.000 1.000 448 E CA 1.139 57.623 56.400 0.139 0.000 0.804 448 E CB 0.198 29.974 29.700 0.126 0.000 0.740 448 E HN 0.154 nan 8.360 nan 0.000 0.454 449 R N 0.261 120.806 120.500 0.075 0.000 2.119 449 R HA 0.015 4.354 4.340 -0.002 0.000 0.222 449 R C 2.407 178.792 176.300 0.142 0.000 1.088 449 R CA 0.770 56.927 56.100 0.095 0.000 0.984 449 R CB -0.620 29.693 30.300 0.020 0.000 0.884 449 R HN 0.382 nan 8.270 nan 0.000 0.447 450 Q N 0.130 119.965 119.800 0.059 0.000 2.050 450 Q HA -0.074 4.265 4.340 -0.002 0.000 0.202 450 Q C 2.086 178.128 176.000 0.071 0.000 0.980 450 Q CA 1.567 57.390 55.803 0.035 0.000 0.840 450 Q CB -0.149 28.563 28.738 -0.044 0.000 0.898 450 Q HN 0.050 nan 8.270 nan 0.000 0.424 451 V N 0.628 120.595 119.914 0.087 0.000 2.407 451 V HA -0.241 3.878 4.120 -0.002 0.000 0.248 451 V C 1.893 178.121 176.094 0.223 0.000 1.055 451 V CA 1.650 64.044 62.300 0.157 0.000 1.049 451 V CB -0.617 31.370 31.823 0.273 0.000 0.662 451 V HN 0.295 nan 8.190 nan 0.000 0.455 452 F N 0.849 120.909 119.950 0.183 0.000 2.075 452 F HA -0.207 4.319 4.527 -0.002 0.000 0.297 452 F C 2.640 178.473 175.800 0.054 0.000 1.113 452 F CA 1.839 59.963 58.000 0.206 0.000 1.218 452 F CB -0.179 38.933 39.000 0.187 0.000 0.984 452 F HN 0.076 nan 8.300 nan 0.000 0.472 453 Q N 0.749 120.702 119.800 0.255 0.000 2.124 453 Q HA -0.236 4.103 4.340 -0.002 0.000 0.202 453 Q C 2.243 178.222 176.000 -0.036 0.000 0.977 453 Q CA 1.676 57.545 55.803 0.111 0.000 0.850 453 Q CB -0.617 28.194 28.738 0.122 0.000 0.901 453 Q HN 0.522 nan 8.270 nan 0.000 0.429 454 K N 0.363 120.739 120.400 -0.041 0.000 2.002 454 K HA -0.111 4.208 4.320 -0.002 0.000 0.209 454 K C 2.023 178.510 176.600 -0.189 0.000 1.048 454 K CA 1.303 57.540 56.287 -0.085 0.000 0.930 454 K CB -0.089 32.382 32.500 -0.049 0.000 0.714 454 K HN 0.101 nan 8.250 nan 0.000 0.438 455 A N 1.489 124.111 122.820 -0.331 0.000 1.877 455 A HA -0.161 4.158 4.320 -0.002 0.000 0.216 455 A C 2.093 179.411 177.584 -0.444 0.000 1.186 455 A CA 1.426 53.138 52.037 -0.542 0.000 0.620 455 A CB -0.746 17.547 19.000 -1.178 0.000 0.822 455 A HN 0.406 nan 8.150 nan 0.000 0.443 456 L N 0.319 121.269 121.223 -0.456 0.000 2.012 456 L HA -0.101 4.237 4.340 -0.002 0.000 0.210 456 L C 2.410 179.165 176.870 -0.190 0.000 1.073 456 L CA 2.389 57.026 54.840 -0.338 0.000 0.748 456 L CB -1.162 40.708 42.059 -0.315 0.000 0.891 456 L HN 0.327 nan 8.230 nan 0.000 0.431 457 G N -1.245 107.465 108.800 -0.151 0.000 2.470 457 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.220 457 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.220 457 G C 1.624 176.462 174.900 -0.103 0.000 1.121 457 G CA 0.716 45.758 45.100 -0.097 0.000 0.766 457 G HN 0.444 nan 8.290 nan 0.000 0.553 458 K N -0.556 119.758 120.400 -0.142 0.000 2.459 458 K HA 0.262 4.581 4.320 -0.002 0.000 0.193 458 K C 0.825 177.353 176.600 -0.120 0.000 1.030 458 K CA -0.227 55.983 56.287 -0.130 0.000 1.026 458 K CB 0.101 32.506 32.500 -0.158 0.000 0.809 458 K HN 0.266 nan 8.250 nan 0.000 0.504 474 E N 2.233 122.451 120.200 0.029 0.000 2.283 474 E HA 0.641 4.990 4.350 -0.002 0.000 0.267 474 E C -0.510 176.097 176.600 0.012 0.000 1.045 474 E CA -0.525 55.888 56.400 0.021 0.000 0.884 474 E CB 1.487 31.193 29.700 0.009 0.000 1.106 474 E HN 0.498 nan 8.360 nan 0.000 0.408 475 T N 1.901 116.460 114.554 0.008 0.000 2.791 475 T HA 0.163 4.511 4.350 -0.002 0.000 0.288 475 T C -0.566 174.133 174.700 -0.001 0.000 0.999 475 T CA -0.661 61.441 62.100 0.003 0.000 0.952 475 T CB 0.678 69.547 68.868 0.002 0.000 0.938 475 T HN 0.334 nan 8.240 nan 0.000 0.444 476 E N 3.187 123.384 120.200 -0.004 0.000 2.159 476 E HA 0.060 4.409 4.350 -0.002 0.000 0.272 476 E C 0.197 176.793 176.600 -0.006 0.000 1.138 476 E CA 0.059 56.455 56.400 -0.008 0.000 0.915 476 E CB 0.677 30.371 29.700 -0.010 0.000 1.028 476 E HN 0.564 nan 8.360 nan 0.000 0.423 477 E N 2.479 122.675 120.200 -0.006 0.000 2.371 477 E HA -0.003 4.346 4.350 -0.002 0.000 0.257 477 E C 0.204 176.801 176.600 -0.006 0.000 1.134 477 E CA -0.385 56.012 56.400 -0.005 0.000 0.919 477 E CB 0.622 30.321 29.700 -0.003 0.000 1.025 477 E HN 0.462 nan 8.360 nan 0.000 0.438 478 Q N 1.093 120.890 119.800 -0.005 0.000 2.584 478 Q HA 0.042 4.380 4.340 -0.002 0.000 0.235 478 Q C -0.342 175.655 176.000 -0.005 0.000 1.079 478 Q CA -0.435 55.364 55.803 -0.005 0.000 0.977 478 Q CB 0.338 29.074 28.738 -0.005 0.000 1.293 478 Q HN 0.243 nan 8.270 nan 0.000 0.553 479 E N 1.531 121.727 120.200 -0.006 0.000 2.652 479 E HA -0.008 4.341 4.350 -0.002 0.000 0.255 479 E C -2.050 174.548 176.600 -0.003 0.000 0.952 479 E CA -0.788 55.608 56.400 -0.006 0.000 0.947 479 E CB -0.370 29.326 29.700 -0.006 0.000 0.912 479 E HN 0.447 nan 8.360 nan 0.000 0.489 480 P HA -0.051 nan 4.420 nan 0.000 0.265 480 P C 0.808 178.109 177.300 0.002 0.000 1.193 480 P CA 0.280 63.381 63.100 0.002 0.000 0.765 480 P CB 0.703 32.404 31.700 0.002 0.000 0.823 481 S N 3.532 119.234 115.700 0.004 0.000 2.382 481 S HA -0.044 4.425 4.470 -0.002 0.000 0.228 481 S C 0.916 175.520 174.600 0.006 0.000 1.027 481 S CA 0.835 59.038 58.200 0.004 0.000 0.991 481 S CB -0.256 62.947 63.200 0.004 0.000 0.823 481 S HN 0.249 nan 8.310 nan 0.000 0.469 482 I N 3.120 123.695 120.570 0.008 0.000 2.392 482 I HA 0.454 4.623 4.170 -0.002 0.000 0.295 482 I C -0.038 176.084 176.117 0.008 0.000 0.985 482 I CA -1.012 60.294 61.300 0.009 0.000 1.221 482 I CB 1.252 39.259 38.000 0.012 0.000 1.366 482 I HN 0.339 nan 8.210 nan 0.000 0.467 483 I N 1.925 122.500 120.570 0.010 0.000 2.582 483 I HA 0.954 5.123 4.170 -0.002 0.000 0.292 483 I C -0.279 175.846 176.117 0.013 0.000 1.066 483 I CA -0.462 60.843 61.300 0.009 0.000 1.053 483 I CB 2.336 40.340 38.000 0.007 0.000 1.241 483 I HN 0.553 nan 8.210 nan 0.000 0.421 484 G N 3.814 112.623 108.800 0.014 0.000 2.672 484 G HA2 0.680 4.638 3.960 -0.002 0.000 0.292 484 G HA3 0.680 4.638 3.960 -0.002 0.000 0.292 484 G C -2.021 172.892 174.900 0.021 0.000 1.375 484 G CA -0.896 44.217 45.100 0.020 0.000 0.890 484 G HN 0.886 nan 8.290 nan 0.000 0.476 485 K N 0.444 120.861 120.400 0.028 0.000 2.542 485 K HA 0.501 4.820 4.320 -0.002 0.000 0.259 485 K C -1.528 175.093 176.600 0.036 0.000 0.932 485 K CA -0.762 55.543 56.287 0.029 0.000 0.820 485 K CB 2.035 34.550 32.500 0.026 0.000 1.345 485 K HN 0.384 nan 8.250 nan 0.000 0.432 486 L N 3.760 125.005 121.223 0.037 0.000 2.289 486 L HA 0.487 4.826 4.340 -0.002 0.000 0.285 486 L C -0.253 176.634 176.870 0.029 0.000 1.049 486 L CA -0.511 54.352 54.840 0.038 0.000 0.804 486 L CB 1.364 43.449 42.059 0.043 0.000 1.195 486 L HN 0.526 nan 8.230 nan 0.000 0.428 487 K N 2.148 122.561 120.400 0.021 0.000 2.375 487 K HA 0.529 4.848 4.320 -0.002 0.000 0.249 487 K C -1.221 175.380 176.600 0.003 0.000 0.942 487 K CA -0.865 55.430 56.287 0.013 0.000 0.806 487 K CB 2.862 35.370 32.500 0.013 0.000 1.227 487 K HN 0.195 nan 8.250 nan 0.000 0.430 488 V N 2.126 122.040 119.914 0.001 0.000 2.488 488 V HA 0.274 4.393 4.120 -0.002 0.000 0.277 488 V C -0.098 175.991 176.094 -0.008 0.000 1.046 488 V CA -0.456 61.840 62.300 -0.007 0.000 0.986 488 V CB 0.977 32.798 31.823 -0.004 0.000 0.989 488 V HN 0.840 nan 8.190 nan 0.000 0.475 489 A N 4.701 127.512 122.820 -0.014 0.000 2.267 489 A HA 0.834 5.153 4.320 -0.002 0.000 0.315 489 A C 0.540 178.118 177.584 -0.010 0.000 1.297 489 A CA 0.235 52.265 52.037 -0.012 0.000 0.865 489 A CB 0.279 19.270 19.000 -0.015 0.000 1.165 489 A HN 1.915 nan 8.150 nan 0.000 0.513 490 G N 1.835 110.630 108.800 -0.007 0.000 2.756 490 G HA2 0.097 4.055 3.960 -0.002 0.000 0.678 490 G HA3 0.097 4.055 3.960 -0.002 0.000 0.678 490 G C -0.090 174.808 174.900 -0.003 0.000 1.349 490 G CA -0.291 44.806 45.100 -0.004 0.000 0.847 490 G HN 1.795 nan 8.290 nan 0.000 0.548 491 M N -0.679 118.921 119.600 0.000 0.000 2.241 491 M HA 0.749 5.228 4.480 -0.002 0.000 0.335 491 M C 0.060 176.366 176.300 0.011 0.000 1.122 491 M CA -0.200 55.102 55.300 0.002 0.000 1.164 491 M CB 0.792 33.392 32.600 0.000 0.000 1.459 491 M HN 0.384 nan 8.290 nan 0.000 0.461 492 L N 2.576 123.805 121.223 0.010 0.000 2.298 492 L HA 0.856 5.194 4.340 -0.002 0.000 0.284 492 L C -0.538 176.351 176.870 0.031 0.000 1.013 492 L CA -0.541 54.307 54.840 0.014 0.000 0.824 492 L CB 1.433 43.489 42.059 -0.006 0.000 1.221 492 L HN 0.997 nan 8.230 nan 0.000 0.418 493 A N 2.912 125.771 122.820 0.064 0.000 2.520 493 A HA 0.665 4.984 4.320 -0.002 0.000 0.298 493 A C -0.712 176.985 177.584 0.188 0.000 1.051 493 A CA -0.560 51.535 52.037 0.098 0.000 0.690 493 A CB 1.728 20.769 19.000 0.069 0.000 1.281 493 A HN 0.288 nan 8.150 nan 0.000 0.402 494 V N 2.127 122.197 119.914 0.260 0.000 2.458 494 V HA 0.428 4.546 4.120 -0.002 0.000 0.287 494 V C 1.481 177.801 176.094 0.377 0.000 1.009 494 V CA 1.949 64.514 62.300 0.441 0.000 1.091 494 V CB -0.128 32.024 31.823 0.548 0.000 0.960 494 V HN 2.138 nan 8.190 nan 0.000 0.476 495 G N 4.544 113.490 108.800 0.242 0.000 2.428 495 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.199 495 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.199 495 G C 0.204 175.000 174.900 -0.172 0.000 1.005 495 G CA -0.277 44.595 45.100 -0.380 0.000 0.671 495 G HN 0.571 nan 8.290 nan 0.000 0.485 496 K N 1.312 121.779 120.400 0.113 0.000 2.106 496 K HA 0.536 4.854 4.320 -0.002 0.000 0.246 496 K C 0.411 177.169 176.600 0.264 0.000 0.987 496 K CA -0.405 55.956 56.287 0.122 0.000 0.904 496 K CB 1.454 34.008 32.500 0.090 0.000 1.071 496 K HN 0.521 nan 8.250 nan 0.000 0.453 497 E N 0.483 120.795 120.200 0.187 0.000 2.374 497 E HA 0.150 4.499 4.350 -0.002 0.000 0.260 497 E C -0.911 175.802 176.600 0.188 0.000 1.101 497 E CA -0.703 55.833 56.400 0.226 0.000 0.907 497 E CB 0.957 30.730 29.700 0.121 0.000 1.014 497 E HN 0.058 nan 8.360 nan 0.000 0.427 498 V N 3.080 123.101 119.914 0.178 0.000 2.407 498 V HA 0.232 4.351 4.120 -0.002 0.000 0.278 498 V C -0.411 175.665 176.094 -0.030 0.000 1.037 498 V CA -0.713 61.611 62.300 0.040 0.000 0.900 498 V CB 1.088 32.894 31.823 -0.028 0.000 0.983 498 V HN 0.673 nan 8.190 nan 0.000 0.459 499 N N 5.092 123.768 118.700 -0.039 0.000 2.491 499 N HA 0.599 5.338 4.740 -0.002 0.000 0.274 499 N C -1.238 174.233 175.510 -0.065 0.000 1.023 499 N CA -0.404 52.611 53.050 -0.060 0.000 0.902 499 N CB 2.356 40.826 38.487 -0.029 0.000 1.267 499 N HN 0.338 nan 8.380 nan 0.000 0.503 500 L N 1.088 122.253 121.223 -0.096 0.000 2.256 500 L HA 0.679 5.018 4.340 -0.002 0.000 0.261 500 L C -0.300 176.540 176.870 -0.050 0.000 1.022 500 L CA -0.997 53.802 54.840 -0.067 0.000 0.828 500 L CB 1.898 43.908 42.059 -0.081 0.000 1.374 500 L HN 0.125 nan 8.230 nan 0.000 0.436 501 V N 1.499 121.404 119.914 -0.014 0.000 2.668 501 V HA 0.388 4.507 4.120 -0.002 0.000 0.304 501 V C -1.137 174.985 176.094 0.045 0.000 1.071 501 V CA -0.583 61.725 62.300 0.012 0.000 0.894 501 V CB 2.070 33.898 31.823 0.008 0.000 1.008 501 V HN 0.527 nan 8.190 nan 0.000 0.425 502 L N 6.412 127.690 121.223 0.091 0.000 2.260 502 L HA 0.562 4.901 4.340 -0.002 0.000 0.289 502 L C -0.637 176.287 176.870 0.089 0.000 1.057 502 L CA 0.405 55.307 54.840 0.103 0.000 0.811 502 L CB 0.592 42.745 42.059 0.157 0.000 1.184 502 L HN 0.554 nan 8.230 nan 0.000 0.429 503 L N 6.622 127.882 121.223 0.061 0.000 2.289 503 L HA 0.504 4.842 4.340 -0.002 0.000 0.285 503 L C -0.498 176.398 176.870 0.045 0.000 1.049 503 L CA -0.367 54.502 54.840 0.049 0.000 0.804 503 L CB 1.174 43.254 42.059 0.035 0.000 1.195 503 L HN 0.579 nan 8.230 nan 0.000 0.428 504 L N 3.794 125.043 121.223 0.044 0.000 2.354 504 L HA 0.656 4.995 4.340 -0.002 0.000 0.264 504 L C -0.602 176.285 176.870 0.028 0.000 1.008 504 L CA -0.799 54.063 54.840 0.036 0.000 0.819 504 L CB 2.566 44.649 42.059 0.040 0.000 1.339 504 L HN 0.519 nan 8.230 nan 0.000 0.420 505 K N 1.536 121.949 120.400 0.022 0.000 2.543 505 K HA 0.325 4.643 4.320 -0.002 0.000 0.255 505 K C -1.623 174.985 176.600 0.014 0.000 0.934 505 K CA -0.720 55.578 56.287 0.017 0.000 0.810 505 K CB 2.168 34.677 32.500 0.014 0.000 1.315 505 K HN 0.528 nan 8.250 nan 0.000 0.433 506 N N 4.587 123.295 118.700 0.013 0.000 2.437 506 N HA 0.249 4.988 4.740 -0.002 0.000 0.259 506 N C 0.033 175.547 175.510 0.008 0.000 0.983 506 N CA -0.412 52.644 53.050 0.010 0.000 0.937 506 N CB 0.772 39.265 38.487 0.011 0.000 1.122 506 N HN 0.654 nan 8.380 nan 0.000 0.499 507 L N 1.237 122.463 121.223 0.006 0.000 2.607 507 L HA 0.181 4.519 4.340 -0.002 0.000 0.228 507 L C 0.990 177.861 176.870 0.003 0.000 1.123 507 L CA -0.138 54.704 54.840 0.004 0.000 0.890 507 L CB -0.370 41.691 42.059 0.002 0.000 1.103 507 L HN 0.518 nan 8.230 nan 0.000 0.468 508 S N -0.498 115.204 115.700 0.003 0.000 2.645 508 S HA 0.230 4.699 4.470 -0.002 0.000 0.266 508 S C 1.084 175.685 174.600 0.002 0.000 1.258 508 S CA -0.674 57.527 58.200 0.002 0.000 0.990 508 S CB 1.174 64.376 63.200 0.002 0.000 0.967 508 S HN 0.099 nan 8.310 nan 0.000 0.556 509 R N 0.545 121.046 120.500 0.001 0.000 2.310 509 R HA 0.337 4.676 4.340 -0.002 0.000 0.202 509 R C -0.704 175.597 176.300 0.002 0.000 0.933 509 R CA 0.148 56.249 56.100 0.002 0.000 1.054 509 R CB -1.014 29.286 30.300 0.001 0.000 0.985 509 R HN 0.631 nan 8.270 nan 0.000 0.489 510 D N -0.266 120.136 120.400 0.002 0.000 2.299 510 D HA 0.211 4.850 4.640 -0.002 0.000 0.243 510 D C -0.274 176.028 176.300 0.004 0.000 0.982 510 D CA -0.316 53.685 54.000 0.002 0.000 0.924 510 D CB 1.391 42.192 40.800 0.001 0.000 1.238 510 D HN -0.248 nan 8.370 nan 0.000 0.484 511 T N 1.987 116.543 114.554 0.004 0.000 2.919 511 T HA 0.259 4.608 4.350 -0.002 0.000 0.302 511 T C 0.186 174.890 174.700 0.005 0.000 1.031 511 T CA -0.198 61.906 62.100 0.005 0.000 1.127 511 T CB 0.518 69.389 68.868 0.006 0.000 0.952 511 T HN -0.002 nan 8.240 nan 0.000 0.540 512 K N 2.069 122.473 120.400 0.007 0.000 2.375 512 K HA 0.462 4.780 4.320 -0.002 0.000 0.249 512 K C -0.553 176.052 176.600 0.008 0.000 0.942 512 K CA -0.720 55.571 56.287 0.006 0.000 0.806 512 K CB 2.239 34.743 32.500 0.007 0.000 1.227 512 K HN 0.435 nan 8.250 nan 0.000 0.430 513 T N 1.483 116.041 114.554 0.007 0.000 2.743 513 T HA 0.353 4.702 4.350 -0.002 0.000 0.292 513 T C -0.268 174.437 174.700 0.007 0.000 0.972 513 T CA -0.511 61.593 62.100 0.007 0.000 0.967 513 T CB 0.673 69.544 68.868 0.006 0.000 0.926 513 T HN 0.127 nan 8.240 nan 0.000 0.459 514 V N 3.527 123.446 119.914 0.008 0.000 2.398 514 V HA 0.470 4.589 4.120 -0.002 0.000 0.286 514 V C 0.592 176.687 176.094 0.002 0.000 1.026 514 V CA -0.781 61.524 62.300 0.007 0.000 0.868 514 V CB 1.707 33.535 31.823 0.009 0.000 0.982 514 V HN 0.833 nan 8.190 nan 0.000 0.443 515 T N 4.802 119.357 114.554 0.003 0.000 2.767 515 T HA 0.602 4.951 4.350 -0.002 0.000 0.284 515 T C -0.670 174.025 174.700 -0.008 0.000 0.973 515 T CA -0.213 61.885 62.100 -0.003 0.000 0.996 515 T CB 0.796 69.668 68.868 0.006 0.000 0.927 515 T HN 0.434 nan 8.240 nan 0.000 0.456 516 V N 7.025 126.920 119.914 -0.032 0.000 2.444 516 V HA 0.520 4.638 4.120 -0.002 0.000 0.294 516 V C -0.278 175.786 176.094 -0.049 0.000 1.022 516 V CA -1.119 61.156 62.300 -0.041 0.000 0.850 516 V CB 1.744 33.521 31.823 -0.076 0.000 0.992 516 V HN 0.797 nan 8.190 nan 0.000 0.426 517 N N 5.596 124.288 118.700 -0.012 0.000 2.407 517 N HA 0.711 5.450 4.740 -0.002 0.000 0.277 517 N C -0.928 174.603 175.510 0.034 0.000 0.995 517 N CA -0.358 52.690 53.050 -0.004 0.000 0.903 517 N CB 2.302 40.800 38.487 0.019 0.000 1.218 517 N HN 0.580 nan 8.380 nan 0.000 0.487 518 M N 0.522 120.142 119.600 0.034 0.000 2.662 518 M HA 0.509 4.987 4.480 -0.002 0.000 0.310 518 M C 0.101 176.485 176.300 0.140 0.000 1.204 518 M CA -0.676 54.717 55.300 0.156 0.000 0.891 518 M CB 2.466 35.267 32.600 0.335 0.000 1.732 518 M HN 0.503 nan 8.290 nan 0.000 0.467 519 T N -1.191 113.573 114.554 0.349 0.000 2.821 519 T HA 0.912 5.261 4.350 -0.002 0.000 0.306 519 T C -1.627 173.432 174.700 0.599 0.000 1.313 519 T CA -0.944 61.401 62.100 0.408 0.000 1.012 519 T CB 1.940 71.061 68.868 0.423 0.000 1.298 519 T HN 0.910 nan 8.240 nan 0.000 0.502 520 A N 0.876 124.044 122.820 0.580 0.000 2.375 520 A HA 0.689 5.008 4.320 -0.002 0.000 0.295 520 A C -1.867 175.934 177.584 0.360 0.000 1.066 520 A CA -0.872 51.448 52.037 0.472 0.000 0.722 520 A CB 0.746 19.998 19.000 0.419 0.000 1.206 520 A HN 0.726 nan 8.150 nan 0.000 0.435 521 W N 1.448 122.858 121.300 0.183 0.000 2.702 521 W HA 0.563 5.222 4.660 -0.002 0.000 0.331 521 W C 0.555 177.156 176.519 0.137 0.000 1.049 521 W CA -0.057 57.375 57.345 0.145 0.000 1.230 521 W CB 2.163 31.683 29.460 0.100 0.000 1.408 521 W HN 0.772 nan 8.180 nan 0.000 0.492 522 T N 1.787 116.550 114.554 0.347 0.000 2.910 522 T HA 0.718 5.067 4.350 -0.002 0.000 0.293 522 T C -0.186 174.688 174.700 0.290 0.000 1.015 522 T CA -0.438 61.828 62.100 0.277 0.000 1.094 522 T CB 0.815 69.840 68.868 0.262 0.000 0.968 522 T HN 0.439 nan 8.240 nan 0.000 0.521 523 I N -0.997 119.705 120.570 0.221 0.000 3.191 523 I HA 0.660 4.828 4.170 -0.002 0.000 0.313 523 I C -1.131 175.079 176.117 0.155 0.000 1.193 523 I CA -1.850 59.554 61.300 0.173 0.000 0.968 523 I CB 1.768 39.844 38.000 0.127 0.000 1.262 523 I HN 0.377 nan 8.210 nan 0.000 0.456 524 I N 1.977 122.609 120.570 0.103 0.000 2.677 524 I HA 0.138 4.307 4.170 -0.002 0.000 0.305 524 I C 0.988 177.138 176.117 0.054 0.000 0.988 524 I CA -0.331 61.046 61.300 0.128 0.000 1.260 524 I CB 1.065 39.115 38.000 0.083 0.000 1.410 524 I HN 0.929 nan 8.210 nan 0.000 0.523 525 Y N 3.184 123.509 120.300 0.041 0.000 2.315 525 Y HA -0.223 4.326 4.550 -0.002 0.000 0.288 525 Y C 1.593 177.351 175.900 -0.237 0.000 1.154 525 Y CA 1.654 59.718 58.100 -0.059 0.000 1.229 525 Y CB -0.918 37.476 38.460 -0.111 0.000 0.980 525 Y HN 0.724 nan 8.280 nan 0.000 0.540 526 N N -0.350 117.624 118.700 -1.210 0.000 2.521 526 N HA 0.156 4.895 4.740 -0.002 0.000 0.188 526 N C 1.485 176.530 175.510 -0.774 0.000 1.146 526 N CA 0.529 52.617 53.050 -1.603 0.000 0.893 526 N CB 0.083 37.055 38.487 -2.524 0.000 0.975 526 N HN 0.523 nan 8.380 nan 0.000 0.451 527 G N -0.514 108.053 108.800 -0.390 0.000 2.179 527 G HA2 -0.249 3.709 3.960 -0.002 0.000 0.220 527 G HA3 -0.249 3.709 3.960 -0.002 0.000 0.220 527 G C 0.044 174.843 174.900 -0.167 0.000 0.990 527 G CA 0.064 45.050 45.100 -0.190 0.000 0.646 527 G HN 0.357 nan 8.290 nan 0.000 0.517 528 T N 2.334 116.770 114.554 -0.197 0.000 2.871 528 T HA 0.386 4.734 4.350 -0.002 0.000 0.296 528 T C 0.980 175.655 174.700 -0.042 0.000 0.998 528 T CA 0.225 62.253 62.100 -0.121 0.000 1.162 528 T CB 0.631 69.447 68.868 -0.086 0.000 0.947 528 T HN 0.339 nan 8.240 nan 0.000 0.536 529 L N 4.364 125.552 121.223 -0.059 0.000 2.367 529 L HA 0.188 4.527 4.340 -0.002 0.000 0.275 529 L C 1.233 178.204 176.870 0.169 0.000 1.129 529 L CA -0.424 54.425 54.840 0.016 0.000 0.839 529 L CB 0.760 42.678 42.059 -0.236 0.000 1.133 529 L HN 0.530 nan 8.230 nan 0.000 0.453 530 V N 1.703 121.807 119.914 0.316 0.000 2.735 530 V HA 0.186 4.305 4.120 -0.002 0.000 0.234 530 V C 0.159 176.451 176.094 0.331 0.000 1.121 530 V CA 0.427 62.897 62.300 0.284 0.000 1.160 530 V CB 0.137 32.112 31.823 0.254 0.000 0.908 530 V HN 0.740 nan 8.190 nan 0.000 0.495 531 H N -0.177 118.992 119.070 0.165 0.000 3.068 531 H HA 0.279 4.834 4.556 -0.002 0.000 0.342 531 H C -1.281 173.551 175.328 -0.827 0.000 1.284 531 H CA -0.560 55.247 56.048 -0.402 0.000 1.181 531 H CB 2.065 31.404 29.762 -0.705 0.000 1.898 531 H HN 0.384 nan 8.280 nan 0.000 0.540 532 E N 2.283 121.596 120.200 -1.478 0.000 2.316 532 E HA 0.267 4.616 4.350 -0.002 0.000 0.275 532 E C 0.211 176.616 176.600 -0.326 0.000 1.029 532 E CA -0.154 55.458 56.400 -1.314 0.000 0.871 532 E CB 0.812 29.753 29.700 -1.266 0.000 1.022 532 E HN 0.415 nan 8.360 nan 0.000 0.418 533 V N 1.759 121.609 119.914 -0.107 0.000 3.502 533 V HA 0.430 4.549 4.120 -0.002 0.000 0.288 533 V C -0.245 176.001 176.094 0.253 0.000 1.461 533 V CA -0.492 61.881 62.300 0.121 0.000 1.029 533 V CB -0.496 31.463 31.823 0.227 0.000 0.843 533 V HN 0.688 nan 8.190 nan 0.000 0.438 534 W N 1.742 123.029 121.300 -0.022 0.000 3.464 534 W HA 0.617 5.276 4.660 -0.002 0.000 0.292 534 W C -1.903 174.636 176.519 0.034 0.000 1.262 534 W CA -0.556 56.806 57.345 0.029 0.000 1.202 534 W CB 1.306 30.814 29.460 0.079 0.000 1.334 534 W HN 0.214 nan 8.180 nan 0.000 0.561 535 K N 3.475 123.364 120.400 -0.851 0.000 2.597 535 K HA 0.748 5.067 4.320 -0.002 0.000 0.282 535 K C -2.093 173.806 176.600 -1.168 0.000 0.975 535 K CA -0.827 54.975 56.287 -0.807 0.000 0.867 535 K CB 2.581 34.894 32.500 -0.312 0.000 1.465 535 K HN 0.350 nan 8.250 nan 0.000 0.417 536 D N -0.164 119.758 120.400 -0.796 0.000 2.755 536 D HA 0.450 5.089 4.640 -0.002 0.000 0.277 536 D C -1.876 174.289 176.300 -0.225 0.000 1.261 536 D CA 0.029 53.737 54.000 -0.486 0.000 0.759 536 D CB 2.124 42.640 40.800 -0.473 0.000 1.279 536 D HN 0.816 nan 8.370 nan 0.000 0.420 537 S N -0.098 115.519 115.700 -0.139 0.000 2.607 537 S HA 1.011 5.480 4.470 -0.002 0.000 0.273 537 S C -1.408 173.113 174.600 -0.132 0.000 1.148 537 S CA -0.317 57.812 58.200 -0.119 0.000 0.833 537 S CB 1.690 64.844 63.200 -0.075 0.000 1.130 537 S HN 1.209 nan 8.310 nan 0.000 0.470 538 A N 0.622 123.357 122.820 -0.142 0.000 2.594 538 A HA 0.760 5.078 4.320 -0.002 0.000 0.296 538 A C -0.857 176.686 177.584 -0.068 0.000 1.056 538 A CA -0.728 51.240 52.037 -0.115 0.000 0.693 538 A CB 1.247 20.103 19.000 -0.240 0.000 1.278 538 A HN 0.931 nan 8.150 nan 0.000 0.408 539 T N 2.108 116.647 114.554 -0.025 0.000 2.824 539 T HA 0.733 5.081 4.350 -0.002 0.000 0.282 539 T C -0.248 174.455 174.700 0.005 0.000 0.993 539 T CA -0.149 61.946 62.100 -0.010 0.000 0.967 539 T CB 1.000 69.866 68.868 -0.002 0.000 0.960 539 T HN 0.619 nan 8.240 nan 0.000 0.441 540 M N 1.394 120.999 119.600 0.008 0.000 2.667 540 M HA 0.608 5.087 4.480 -0.002 0.000 0.286 540 M C -0.442 175.867 176.300 0.016 0.000 1.270 540 M CA -0.952 54.359 55.300 0.019 0.000 0.826 540 M CB 2.567 35.182 32.600 0.026 0.000 1.743 540 M HN 0.518 nan 8.290 nan 0.000 0.460 541 S N 1.558 117.269 115.700 0.018 0.000 2.519 541 S HA 0.782 5.251 4.470 -0.002 0.000 0.309 541 S C -1.502 173.109 174.600 0.017 0.000 1.100 541 S CA -0.692 57.517 58.200 0.015 0.000 1.059 541 S CB 0.582 63.790 63.200 0.014 0.000 1.008 541 S HN 0.610 nan 8.310 nan 0.000 0.478 542 L N 4.332 125.564 121.223 0.015 0.000 2.349 542 L HA 0.535 4.874 4.340 -0.002 0.000 0.278 542 L C -0.328 176.549 176.870 0.012 0.000 0.996 542 L CA -0.945 53.904 54.840 0.015 0.000 0.825 542 L CB 1.840 43.908 42.059 0.016 0.000 1.243 542 L HN 0.584 nan 8.230 nan 0.000 0.412 543 D N 3.406 123.813 120.400 0.012 0.000 2.358 543 D HA 0.233 4.872 4.640 -0.002 0.000 0.244 543 D C -2.325 173.980 176.300 0.009 0.000 1.163 543 D CA -1.161 52.844 54.000 0.009 0.000 0.945 543 D CB 0.975 41.780 40.800 0.009 0.000 1.152 543 D HN 0.164 nan 8.370 nan 0.000 0.451 544 P HA -0.058 nan 4.420 nan 0.000 0.261 544 P C 0.122 177.426 177.300 0.007 0.000 1.173 544 P CA 0.869 63.973 63.100 0.006 0.000 0.760 544 P CB 0.365 32.068 31.700 0.005 0.000 0.783 545 E N -0.508 119.696 120.200 0.007 0.000 3.799 545 E HA -0.273 4.076 4.350 -0.002 0.000 0.320 545 E C 0.202 176.808 176.600 0.009 0.000 0.760 545 E CA 1.330 57.734 56.400 0.007 0.000 1.153 545 E CB -1.718 27.985 29.700 0.006 0.000 1.589 545 E HN 0.673 nan 8.360 nan 0.000 0.448 546 E N 0.726 120.932 120.200 0.011 0.000 2.384 546 E HA 0.118 4.467 4.350 -0.002 0.000 0.266 546 E C -0.271 176.339 176.600 0.017 0.000 1.012 546 E CA 0.230 56.638 56.400 0.014 0.000 0.901 546 E CB 0.509 30.218 29.700 0.015 0.000 0.967 546 E HN 0.156 nan 8.360 nan 0.000 0.435 547 E N 1.165 121.376 120.200 0.018 0.000 2.221 547 E HA 0.694 5.042 4.350 -0.002 0.000 0.268 547 E C -1.234 175.383 176.600 0.028 0.000 0.933 547 E CA -1.001 55.412 56.400 0.022 0.000 0.809 547 E CB 1.993 31.705 29.700 0.020 0.000 1.190 547 E HN 0.547 nan 8.360 nan 0.000 0.406 548 A N 1.896 124.737 122.820 0.036 0.000 2.612 548 A HA 0.542 4.860 4.320 -0.002 0.000 0.293 548 A C -1.743 175.877 177.584 0.060 0.000 1.075 548 A CA -0.901 51.164 52.037 0.047 0.000 0.680 548 A CB 1.570 20.601 19.000 0.052 0.000 1.279 548 A HN 0.663 nan 8.150 nan 0.000 0.411 549 E N 0.542 120.786 120.200 0.072 0.000 2.278 549 E HA 0.485 4.834 4.350 -0.002 0.000 0.272 549 E C -1.461 175.213 176.600 0.123 0.000 0.890 549 E CA -0.722 55.730 56.400 0.087 0.000 0.770 549 E CB 1.744 31.476 29.700 0.052 0.000 1.212 549 E HN 0.694 nan 8.360 nan 0.000 0.415 550 H N 3.256 122.359 119.070 0.055 0.000 2.623 550 H HA 0.347 4.901 4.556 -0.002 0.000 0.299 550 H C -2.507 172.868 175.328 0.078 0.000 1.052 550 H CA -1.958 54.136 56.048 0.076 0.000 1.231 550 H CB 1.180 31.002 29.762 0.099 0.000 1.389 550 H HN 0.303 nan 8.280 nan 0.000 0.469 551 P HA 0.086 nan 4.420 nan 0.000 0.271 551 P C -0.518 176.683 177.300 -0.165 0.000 1.220 551 P CA 0.200 63.207 63.100 -0.155 0.000 0.768 551 P CB 0.723 32.345 31.700 -0.130 0.000 0.848 552 I N 3.557 124.057 120.570 -0.115 0.000 2.355 552 I HA 0.356 4.525 4.170 -0.002 0.000 0.288 552 I C 0.423 176.347 176.117 -0.322 0.000 0.999 552 I CA -0.560 60.589 61.300 -0.253 0.000 1.163 552 I CB 1.299 39.065 38.000 -0.389 0.000 1.316 552 I HN 0.159 nan 8.210 nan 0.000 0.454 553 K N 8.039 128.255 120.400 -0.306 0.000 2.376 553 K HA 0.681 4.999 4.320 -0.002 0.000 0.257 553 K C -1.520 174.927 176.600 -0.254 0.000 0.939 553 K CA -0.530 55.640 56.287 -0.196 0.000 0.809 553 K CB 1.730 34.208 32.500 -0.038 0.000 1.121 553 K HN 0.575 nan 8.250 nan 0.000 0.425 554 I N 3.530 123.999 120.570 -0.168 0.000 2.447 554 I HA 0.136 4.305 4.170 -0.002 0.000 0.287 554 I C 0.151 176.359 176.117 0.151 0.000 1.023 554 I CA -0.813 60.472 61.300 -0.025 0.000 1.083 554 I CB 2.017 39.999 38.000 -0.030 0.000 1.245 554 I HN 0.664 nan 8.210 nan 0.000 0.434 555 S N 4.841 120.614 115.700 0.122 0.000 2.614 555 S HA 0.139 4.608 4.470 -0.002 0.000 0.265 555 S C 1.014 175.547 174.600 -0.112 0.000 1.303 555 S CA -0.207 58.036 58.200 0.073 0.000 1.000 555 S CB 0.984 64.207 63.200 0.040 0.000 0.935 555 S HN 0.635 nan 8.310 nan 0.000 0.551 556 Y N 2.248 122.341 120.300 -0.345 0.000 2.128 556 Y HA -0.113 4.436 4.550 -0.002 0.000 0.284 556 Y C 2.509 177.991 175.900 -0.698 0.000 1.154 556 Y CA 2.046 59.640 58.100 -0.843 0.000 1.149 556 Y CB -1.206 37.035 38.460 -0.367 0.000 0.976 556 Y HN 0.841 nan 8.280 nan 0.000 0.505 557 A N 0.134 122.682 122.820 -0.453 0.000 1.940 557 A HA -0.273 4.046 4.320 -0.002 0.000 0.219 557 A C 2.158 179.528 177.584 -0.357 0.000 1.176 557 A CA 2.036 53.822 52.037 -0.419 0.000 0.631 557 A CB -0.763 18.136 19.000 -0.169 0.000 0.814 557 A HN 0.703 nan 8.150 nan 0.000 0.446 558 Q N -1.726 117.936 119.800 -0.229 0.000 2.046 558 Q HA -0.183 4.156 4.340 -0.002 0.000 0.200 558 Q C 2.047 178.040 176.000 -0.013 0.000 0.975 558 Q CA 1.966 57.734 55.803 -0.057 0.000 0.836 558 Q CB -0.326 28.466 28.738 0.090 0.000 0.896 558 Q HN 1.033 nan 8.270 nan 0.000 0.428 559 Y N 0.322 120.604 120.300 -0.031 0.000 2.448 559 Y HA 0.081 4.630 4.550 -0.002 0.000 0.289 559 Y C 1.832 177.673 175.900 -0.099 0.000 1.114 559 Y CA 0.782 58.882 58.100 -0.000 0.000 1.235 559 Y CB -0.671 37.820 38.460 0.052 0.000 1.045 559 Y HN 0.092 nan 8.280 nan 0.000 0.554 560 E N 1.600 121.528 120.200 -0.452 0.000 2.130 560 E HA -0.276 4.073 4.350 -0.002 0.000 0.196 560 E C 2.179 178.594 176.600 -0.310 0.000 0.998 560 E CA 1.888 58.028 56.400 -0.434 0.000 0.806 560 E CB -0.483 28.467 29.700 -1.250 0.000 0.738 560 E HN 0.503 nan 8.360 nan 0.000 0.459 561 R N -1.032 119.214 120.500 -0.423 0.000 2.120 561 R HA -0.106 4.233 4.340 -0.002 0.000 0.234 561 R C 0.885 176.755 176.300 -0.716 0.000 1.123 561 R CA 1.600 57.328 56.100 -0.620 0.000 0.975 561 R CB -0.097 29.688 30.300 -0.859 0.000 0.866 561 R HN 0.409 nan 8.270 nan 0.000 0.446 562 Y N -1.098 119.148 120.300 -0.090 0.000 2.557 562 Y HA 0.195 4.743 4.550 -0.002 0.000 0.247 562 Y C -0.228 175.708 175.900 0.061 0.000 1.164 562 Y CA -0.887 57.190 58.100 -0.039 0.000 1.218 562 Y CB 0.633 39.038 38.460 -0.091 0.000 1.210 562 Y HN -0.023 nan 8.280 nan 0.000 0.529 563 L N 2.010 123.341 121.223 0.179 0.000 2.380 563 L HA 0.292 4.630 4.340 -0.002 0.000 0.273 563 L C -0.198 176.770 176.870 0.163 0.000 1.138 563 L CA -0.151 54.807 54.840 0.198 0.000 0.832 563 L CB 0.343 42.548 42.059 0.242 0.000 1.124 563 L HN -0.100 nan 8.230 nan 0.000 0.454 564 K N 1.732 122.241 120.400 0.182 0.000 2.267 564 K HA 0.337 4.656 4.320 -0.002 0.000 0.236 564 K C 1.235 177.953 176.600 0.198 0.000 1.030 564 K CA 0.247 56.649 56.287 0.191 0.000 0.930 564 K CB 1.169 33.801 32.500 0.221 0.000 1.182 564 K HN 0.690 nan 8.250 nan 0.000 0.474 565 S N -0.655 115.173 115.700 0.214 0.000 2.469 565 S HA -0.152 4.317 4.470 -0.002 0.000 0.238 565 S C 0.812 175.529 174.600 0.195 0.000 0.998 565 S CA 1.674 59.989 58.200 0.191 0.000 0.957 565 S CB -0.338 62.964 63.200 0.169 0.000 0.764 565 S HN 0.509 nan 8.310 nan 0.000 0.514 566 D N 1.961 122.500 120.400 0.231 0.000 2.219 566 D HA 0.004 4.643 4.640 -0.002 0.000 0.205 566 D C 0.357 176.772 176.300 0.193 0.000 0.970 566 D CA 0.770 54.914 54.000 0.240 0.000 0.851 566 D CB -0.351 40.627 40.800 0.297 0.000 0.943 566 D HN 0.281 nan 8.370 nan 0.000 0.488 567 N N -0.334 118.471 118.700 0.175 0.000 2.725 567 N HA -0.155 4.584 4.740 -0.002 0.000 0.249 567 N C -0.871 174.705 175.510 0.111 0.000 1.103 567 N CA 0.708 53.841 53.050 0.138 0.000 0.707 567 N CB -0.715 37.852 38.487 0.135 0.000 1.043 567 N HN 0.273 nan 8.380 nan 0.000 0.553 568 M N 0.397 120.081 119.600 0.139 0.000 2.472 568 M HA 0.538 5.016 4.480 -0.002 0.000 0.331 568 M C 0.404 176.775 176.300 0.118 0.000 1.170 568 M CA -0.360 55.021 55.300 0.135 0.000 1.009 568 M CB 1.583 34.290 32.600 0.178 0.000 1.672 568 M HN -0.020 nan 8.290 nan 0.000 0.453 569 I N 1.549 122.181 120.570 0.104 0.000 2.571 569 I HA 0.396 4.565 4.170 -0.002 0.000 0.289 569 I C -0.347 175.858 176.117 0.147 0.000 1.115 569 I CA -0.684 60.688 61.300 0.121 0.000 1.045 569 I CB 2.623 40.651 38.000 0.047 0.000 1.238 569 I HN 0.645 nan 8.210 nan 0.000 0.424 570 R N 6.768 127.392 120.500 0.206 0.000 2.202 570 R HA 0.539 4.878 4.340 -0.002 0.000 0.334 570 R C -1.080 175.365 176.300 0.243 0.000 1.036 570 R CA -0.473 55.752 56.100 0.208 0.000 0.878 570 R CB 0.678 31.100 30.300 0.204 0.000 1.067 570 R HN 0.454 nan 8.270 nan 0.000 0.457 571 I N 4.338 125.022 120.570 0.190 0.000 2.336 571 I HA 0.303 4.472 4.170 -0.002 0.000 0.292 571 I C -0.163 176.065 176.117 0.185 0.000 0.991 571 I CA -0.400 61.016 61.300 0.194 0.000 1.227 571 I CB 1.474 39.541 38.000 0.111 0.000 1.366 571 I HN 0.643 nan 8.210 nan 0.000 0.466 572 T N 4.857 119.545 114.554 0.223 0.000 2.893 572 T HA 0.777 5.125 4.350 -0.002 0.000 0.293 572 T C -0.424 174.348 174.700 0.121 0.000 1.027 572 T CA -0.671 61.505 62.100 0.127 0.000 0.988 572 T CB 2.334 71.284 68.868 0.137 0.000 1.043 572 T HN 0.697 nan 8.240 nan 0.000 0.461 573 A N 2.240 125.077 122.820 0.028 0.000 2.457 573 A HA 0.659 4.978 4.320 -0.002 0.000 0.283 573 A C -0.720 176.849 177.584 -0.024 0.000 1.166 573 A CA -0.581 51.481 52.037 0.042 0.000 0.740 573 A CB 0.874 19.917 19.000 0.072 0.000 1.181 573 A HN 0.667 nan 8.150 nan 0.000 0.446 574 V N 2.601 122.506 119.914 -0.015 0.000 2.348 574 V HA 0.237 4.355 4.120 -0.002 0.000 0.270 574 V C 0.001 176.100 176.094 0.008 0.000 1.037 574 V CA -0.325 61.962 62.300 -0.022 0.000 0.872 574 V CB 0.260 32.084 31.823 0.002 0.000 1.002 574 V HN 0.953 nan 8.190 nan 0.000 0.464 575 C N 5.113 124.417 119.300 0.006 0.000 2.366 575 C HA 0.817 5.276 4.460 -0.002 0.000 0.345 575 C C 0.128 175.134 174.990 0.027 0.000 1.209 575 C CA -0.961 58.065 59.018 0.014 0.000 2.050 575 C CB 0.981 28.727 27.740 0.010 0.000 2.359 575 C HN 0.939 nan 8.230 nan 0.000 0.527 576 K N 1.080 121.496 120.400 0.027 0.000 2.557 576 K HA 0.643 4.962 4.320 -0.002 0.000 0.261 576 K C -1.406 175.207 176.600 0.022 0.000 0.932 576 K CA -0.402 55.905 56.287 0.034 0.000 0.829 576 K CB 1.774 34.307 32.500 0.055 0.000 1.358 576 K HN 0.703 nan 8.250 nan 0.000 0.430 577 V N 0.372 120.297 119.914 0.019 0.000 2.769 577 V HA 0.691 4.810 4.120 -0.002 0.000 0.312 577 V C -2.725 173.373 176.094 0.007 0.000 1.061 577 V CA -2.556 59.751 62.300 0.011 0.000 0.931 577 V CB 1.193 33.021 31.823 0.009 0.000 1.010 577 V HN 0.647 nan 8.190 nan 0.000 0.433 578 P HA 0.269 nan 4.420 nan 0.000 0.268 578 P C -0.363 176.931 177.300 -0.009 0.000 1.208 578 P CA 0.694 63.790 63.100 -0.006 0.000 0.777 578 P CB 0.191 31.886 31.700 -0.007 0.000 0.875 579 D N -1.532 118.857 120.400 -0.018 0.000 2.946 579 D HA -0.163 4.475 4.640 -0.002 0.000 0.202 579 D C -0.227 176.063 176.300 -0.016 0.000 1.068 579 D CA 1.443 55.430 54.000 -0.020 0.000 1.011 579 D CB -1.192 39.599 40.800 -0.015 0.000 1.105 579 D HN 0.559 nan 8.370 nan 0.000 0.425 580 E N -0.606 119.589 120.200 -0.009 0.000 2.369 580 E HA 0.583 4.932 4.350 -0.002 0.000 0.270 580 E C -0.578 176.030 176.600 0.014 0.000 0.909 580 E CA -0.721 55.679 56.400 0.001 0.000 0.775 580 E CB 1.777 31.481 29.700 0.007 0.000 1.270 580 E HN -0.137 nan 8.360 nan 0.000 0.445 581 S N 1.296 117.014 115.700 0.030 0.000 2.593 581 S HA 0.081 4.549 4.470 -0.002 0.000 0.269 581 S C -0.264 174.390 174.600 0.091 0.000 1.334 581 S CA -0.423 57.823 58.200 0.076 0.000 1.015 581 S CB 0.448 63.702 63.200 0.090 0.000 0.912 581 S HN 0.316 nan 8.310 nan 0.000 0.541 582 E N 0.736 121.028 120.200 0.154 0.000 2.418 582 E HA 0.193 4.542 4.350 -0.002 0.000 0.261 582 E C -0.842 175.793 176.600 0.058 0.000 1.070 582 E CA 0.079 56.548 56.400 0.115 0.000 0.931 582 E CB 0.373 30.170 29.700 0.161 0.000 0.954 582 E HN 0.216 nan 8.360 nan 0.000 0.439 583 V N 3.346 123.276 119.914 0.026 0.000 2.326 583 V HA 0.182 4.301 4.120 -0.002 0.000 0.281 583 V C -0.556 175.519 176.094 -0.032 0.000 1.015 583 V CA -0.829 61.470 62.300 -0.001 0.000 0.823 583 V CB 1.378 33.203 31.823 0.003 0.000 1.009 583 V HN 0.398 nan 8.190 nan 0.000 0.436 584 V N 6.158 126.030 119.914 -0.071 0.000 2.432 584 V HA 0.338 4.456 4.120 -0.002 0.000 0.271 584 V C 0.094 176.115 176.094 -0.122 0.000 1.046 584 V CA -0.336 61.872 62.300 -0.152 0.000 0.945 584 V CB 1.504 33.169 31.823 -0.263 0.000 0.992 584 V HN 0.593 nan 8.190 nan 0.000 0.471 585 V N 6.107 125.957 119.914 -0.107 0.000 2.384 585 V HA 0.518 4.636 4.120 -0.002 0.000 0.287 585 V C -0.016 176.043 176.094 -0.059 0.000 1.020 585 V CA -0.578 61.691 62.300 -0.051 0.000 0.850 585 V CB 1.358 33.177 31.823 -0.006 0.000 0.987 585 V HN 1.043 nan 8.190 nan 0.000 0.436 586 E N 4.735 124.918 120.200 -0.028 0.000 2.336 586 E HA 0.888 5.236 4.350 -0.002 0.000 0.267 586 E C -0.826 175.809 176.600 0.058 0.000 0.906 586 E CA -1.363 55.045 56.400 0.014 0.000 0.781 586 E CB 3.152 32.867 29.700 0.025 0.000 1.261 586 E HN 0.526 nan 8.360 nan 0.000 0.436 587 R N 1.273 121.825 120.500 0.088 0.000 3.170 587 R HA 0.144 4.482 4.340 -0.002 0.000 0.257 587 R C -2.049 174.315 176.300 0.106 0.000 1.139 587 R CA -0.487 55.667 56.100 0.089 0.000 1.158 587 R CB 1.240 31.581 30.300 0.068 0.000 1.269 587 R HN 0.563 nan 8.270 nan 0.000 0.459 588 D N 5.229 125.699 120.400 0.116 0.000 2.232 588 D HA 0.355 4.994 4.640 -0.002 0.000 0.242 588 D C 0.173 176.537 176.300 0.107 0.000 1.093 588 D CA -0.103 53.972 54.000 0.126 0.000 0.845 588 D CB 1.222 42.112 40.800 0.150 0.000 1.124 588 D HN 0.463 nan 8.370 nan 0.000 0.467 589 I N -0.790 119.833 120.570 0.088 0.000 2.648 589 I HA 0.611 4.779 4.170 -0.002 0.000 0.304 589 I C -0.615 175.542 176.117 0.067 0.000 1.009 589 I CA -1.098 60.239 61.300 0.061 0.000 1.114 589 I CB 2.239 40.252 38.000 0.022 0.000 1.293 589 I HN 0.207 nan 8.210 nan 0.000 0.449 590 I N 5.043 125.651 120.570 0.062 0.000 2.436 590 I HA 0.418 4.587 4.170 -0.002 0.000 0.289 590 I C -1.416 174.724 176.117 0.038 0.000 1.010 590 I CA -0.856 60.486 61.300 0.071 0.000 1.098 590 I CB 1.599 39.662 38.000 0.106 0.000 1.266 590 I HN 0.511 nan 8.210 nan 0.000 0.434 591 L N 7.256 128.496 121.223 0.029 0.000 2.292 591 L HA 0.381 4.720 4.340 -0.002 0.000 0.284 591 L C -0.082 176.826 176.870 0.063 0.000 1.065 591 L CA -0.121 54.734 54.840 0.024 0.000 0.806 591 L CB 0.607 42.658 42.059 -0.014 0.000 1.175 591 L HN 0.497 nan 8.230 nan 0.000 0.431 592 D N 2.064 122.497 120.400 0.056 0.000 2.372 592 D HA 0.079 4.718 4.640 -0.002 0.000 0.243 592 D C 0.116 176.469 176.300 0.090 0.000 1.121 592 D CA 0.003 54.036 54.000 0.056 0.000 0.898 592 D CB 0.665 41.482 40.800 0.029 0.000 1.202 592 D HN 0.376 nan 8.370 nan 0.000 0.428 593 N N 1.144 119.895 118.700 0.085 0.000 2.445 593 N HA 0.272 5.010 4.740 -0.002 0.000 0.264 593 N C -2.249 173.272 175.510 0.019 0.000 1.227 593 N CA -0.988 52.123 53.050 0.103 0.000 0.963 593 N CB 0.323 38.866 38.487 0.094 0.000 1.188 593 N HN 0.068 nan 8.380 nan 0.000 0.491 594 P HA 0.103 nan 4.420 nan 0.000 0.271 594 P C -0.467 176.826 177.300 -0.012 0.000 1.233 594 P CA 0.069 63.096 63.100 -0.121 0.000 0.789 594 P CB 0.316 31.820 31.700 -0.327 0.000 0.951 595 T N 1.741 116.267 114.554 -0.046 0.000 2.907 595 T HA 0.329 4.677 4.350 -0.002 0.000 0.298 595 T C -0.161 174.585 174.700 0.076 0.000 1.017 595 T CA 0.068 62.163 62.100 -0.010 0.000 1.118 595 T CB 0.063 68.899 68.868 -0.054 0.000 0.948 595 T HN 0.174 nan 8.240 nan 0.000 0.531 596 L N 3.314 124.572 121.223 0.058 0.000 2.356 596 L HA 0.614 4.953 4.340 -0.002 0.000 0.277 596 L C -0.483 176.390 176.870 0.006 0.000 0.996 596 L CA -0.039 54.832 54.840 0.053 0.000 0.822 596 L CB 1.846 43.902 42.059 -0.006 0.000 1.256 596 L HN 0.656 nan 8.230 nan 0.000 0.413 597 T N 5.628 120.180 114.554 -0.003 0.000 2.863 597 T HA 0.650 4.999 4.350 -0.002 0.000 0.285 597 T C -0.630 174.073 174.700 0.005 0.000 1.009 597 T CA -0.475 61.620 62.100 -0.009 0.000 0.989 597 T CB 1.488 70.341 68.868 -0.026 0.000 1.004 597 T HN 0.464 nan 8.240 nan 0.000 0.455 598 L N 2.364 123.592 121.223 0.009 0.000 2.346 598 L HA 0.632 4.971 4.340 -0.002 0.000 0.276 598 L C -0.159 176.704 176.870 -0.012 0.000 1.006 598 L CA -0.731 54.124 54.840 0.025 0.000 0.817 598 L CB 1.877 43.969 42.059 0.055 0.000 1.272 598 L HN 0.631 nan 8.230 nan 0.000 0.421 599 E N 1.979 122.155 120.200 -0.041 0.000 2.290 599 E HA 0.387 4.736 4.350 -0.002 0.000 0.274 599 E C -1.447 175.096 176.600 -0.094 0.000 0.889 599 E CA -0.693 55.672 56.400 -0.059 0.000 0.760 599 E CB 3.189 32.855 29.700 -0.057 0.000 1.206 599 E HN 0.158 nan 8.360 nan 0.000 0.419 600 V N 3.939 123.807 119.914 -0.078 0.000 2.465 600 V HA 0.077 4.195 4.120 -0.002 0.000 0.279 600 V C 0.419 176.465 176.094 -0.080 0.000 1.045 600 V CA -0.250 61.996 62.300 -0.090 0.000 0.938 600 V CB 1.026 32.812 31.823 -0.062 0.000 0.986 600 V HN 0.626 nan 8.190 nan 0.000 0.467 601 L N 4.983 126.150 121.223 -0.093 0.000 2.592 601 L HA 0.286 4.625 4.340 -0.002 0.000 0.227 601 L C 0.750 177.587 176.870 -0.056 0.000 1.127 601 L CA 0.377 55.173 54.840 -0.074 0.000 0.884 601 L CB -1.046 40.962 42.059 -0.083 0.000 1.065 601 L HN 0.915 nan 8.230 nan 0.000 0.457 602 N N -1.796 116.873 118.700 -0.053 0.000 3.106 602 N HA 0.117 4.856 4.740 -0.002 0.000 0.253 602 N C -0.837 174.654 175.510 -0.033 0.000 1.506 602 N CA -0.738 52.288 53.050 -0.039 0.000 0.876 602 N CB 1.206 39.671 38.487 -0.037 0.000 1.452 602 N HN -0.051 nan 8.380 nan 0.000 0.542 603 E N -0.180 120.005 120.200 -0.025 0.000 2.338 603 E HA 0.481 4.829 4.350 -0.002 0.000 0.272 603 E C -0.598 175.992 176.600 -0.017 0.000 1.029 603 E CA -0.569 55.819 56.400 -0.019 0.000 0.872 603 E CB 0.755 30.446 29.700 -0.014 0.000 1.015 603 E HN 0.616 nan 8.360 nan 0.000 0.417 604 A N 5.269 128.080 122.820 -0.015 0.000 2.328 604 A HA 0.477 4.796 4.320 -0.002 0.000 0.284 604 A C -0.478 177.104 177.584 -0.004 0.000 1.160 604 A CA -0.325 51.706 52.037 -0.010 0.000 0.818 604 A CB 0.495 19.490 19.000 -0.008 0.000 1.087 604 A HN 0.701 nan 8.150 nan 0.000 0.504 605 R N 1.181 121.680 120.500 -0.002 0.000 2.651 605 R HA 0.472 4.811 4.340 -0.002 0.000 0.278 605 R C -0.530 175.772 176.300 0.004 0.000 1.010 605 R CA -0.903 55.198 56.100 0.001 0.000 0.896 605 R CB 1.978 32.278 30.300 -0.000 0.000 1.211 605 R HN 0.771 nan 8.270 nan 0.000 0.456 606 V N 0.674 120.592 119.914 0.006 0.000 2.928 606 V HA -0.027 4.092 4.120 -0.002 0.000 0.307 606 V C 0.763 176.863 176.094 0.010 0.000 1.105 606 V CA 0.063 62.368 62.300 0.009 0.000 1.223 606 V CB 0.110 31.939 31.823 0.009 0.000 0.930 606 V HN 0.917 nan 8.190 nan 0.000 0.499 607 R N -0.309 120.199 120.500 0.012 0.000 4.016 607 R HA -0.150 4.189 4.340 -0.002 0.000 0.385 607 R C -0.109 176.198 176.300 0.011 0.000 1.158 607 R CA 1.569 57.676 56.100 0.013 0.000 1.117 607 R CB -1.249 29.058 30.300 0.012 0.000 1.635 607 R HN 0.842 nan 8.270 nan 0.000 0.560 608 K N 0.627 121.032 120.400 0.009 0.000 2.270 608 K HA 0.395 4.713 4.320 -0.002 0.000 0.255 608 K C -2.561 174.042 176.600 0.004 0.000 0.936 608 K CA -2.468 53.822 56.287 0.005 0.000 0.809 608 K CB 1.681 34.182 32.500 0.001 0.000 1.131 608 K HN -0.244 nan 8.250 nan 0.000 0.427 609 P HA 0.041 nan 4.420 nan 0.000 0.264 609 P C -0.667 176.626 177.300 -0.011 0.000 1.193 609 P CA -0.159 62.942 63.100 0.001 0.000 0.763 609 P CB 0.503 32.204 31.700 0.001 0.000 0.810 610 V N 4.694 124.598 119.914 -0.017 0.000 2.409 610 V HA 0.227 4.346 4.120 -0.002 0.000 0.291 610 V C 0.046 176.093 176.094 -0.078 0.000 1.020 610 V CA -0.655 61.622 62.300 -0.039 0.000 0.848 610 V CB 1.289 33.093 31.823 -0.031 0.000 0.990 610 V HN 0.461 nan 8.190 nan 0.000 0.430 611 N N 3.537 122.180 118.700 -0.096 0.000 2.470 611 N HA 0.492 5.230 4.740 -0.002 0.000 0.268 611 N C -0.558 174.811 175.510 -0.236 0.000 1.136 611 N CA -0.225 52.736 53.050 -0.147 0.000 0.961 611 N CB 1.459 39.883 38.487 -0.105 0.000 1.067 611 N HN 0.451 nan 8.380 nan 0.000 0.468 612 V N 1.231 120.882 119.914 -0.439 0.000 3.046 612 V HA 0.523 4.642 4.120 -0.002 0.000 0.316 612 V C -0.309 175.396 176.094 -0.649 0.000 1.104 612 V CA -0.829 61.098 62.300 -0.622 0.000 1.006 612 V CB 1.985 33.199 31.823 -1.015 0.000 1.058 612 V HN 0.651 nan 8.190 nan 0.000 0.440 613 Q N 2.001 121.544 119.800 -0.428 0.000 2.268 613 Q HA 0.542 4.881 4.340 -0.002 0.000 0.266 613 Q C -1.519 174.461 176.000 -0.033 0.000 1.006 613 Q CA -0.472 55.211 55.803 -0.200 0.000 0.824 613 Q CB 2.158 30.820 28.738 -0.127 0.000 1.306 613 Q HN 0.826 nan 8.270 nan 0.000 0.424 614 M N 5.799 125.458 119.600 0.099 0.000 2.238 614 M HA 0.510 4.989 4.480 -0.002 0.000 0.350 614 M C -1.990 174.330 176.300 0.033 0.000 1.138 614 M CA -0.600 54.772 55.300 0.119 0.000 1.040 614 M CB 0.758 33.481 32.600 0.206 0.000 1.639 614 M HN 0.727 nan 8.290 nan 0.000 0.451 615 L N 5.494 126.714 121.223 -0.005 0.000 2.386 615 L HA 0.671 5.009 4.340 -0.002 0.000 0.271 615 L C -1.420 175.434 176.870 -0.028 0.000 0.993 615 L CA -0.687 54.135 54.840 -0.030 0.000 0.819 615 L CB 2.222 44.256 42.059 -0.042 0.000 1.294 615 L HN 0.703 nan 8.230 nan 0.000 0.414 616 F N 1.180 120.972 119.950 -0.264 0.000 2.605 616 F HA 0.516 5.042 4.527 -0.002 0.000 0.320 616 F C -0.884 174.771 175.800 -0.242 0.000 1.159 616 F CA -0.325 57.465 58.000 -0.350 0.000 0.999 616 F CB 2.101 40.683 39.000 -0.697 0.000 1.258 616 F HN 0.322 nan 8.300 nan 0.000 0.464 617 S N 4.305 119.404 115.700 -1.000 0.000 2.437 617 S HA 0.280 4.749 4.470 -0.002 0.000 0.305 617 S C -0.773 173.192 174.600 -1.058 0.000 1.109 617 S CA -0.664 57.090 58.200 -0.744 0.000 1.099 617 S CB 1.007 63.946 63.200 -0.436 0.000 1.004 617 S HN 0.601 nan 8.310 nan 0.000 0.475 618 N N 4.276 122.629 118.700 -0.579 0.000 2.401 618 N HA 0.233 4.972 4.740 -0.002 0.000 0.255 618 N C -1.392 174.021 175.510 -0.162 0.000 1.110 618 N CA -2.048 50.833 53.050 -0.281 0.000 0.949 618 N CB 0.923 39.440 38.487 0.051 0.000 1.110 618 N HN 0.249 nan 8.380 nan 0.000 0.490 619 P HA -0.023 nan 4.420 nan 0.000 0.236 619 P C 0.220 177.504 177.300 -0.027 0.000 1.177 619 P CA 0.458 63.506 63.100 -0.086 0.000 0.773 619 P CB 0.506 32.148 31.700 -0.096 0.000 0.878 620 L N 0.404 121.656 121.223 0.048 0.000 2.476 620 L HA 0.136 4.475 4.340 -0.002 0.000 0.255 620 L C 1.475 178.346 176.870 0.002 0.000 1.218 620 L CA -0.109 54.731 54.840 0.001 0.000 0.819 620 L CB 0.033 42.132 42.059 0.066 0.000 1.119 620 L HN -0.237 nan 8.230 nan 0.000 0.485 621 D N -0.385 120.012 120.400 -0.005 0.000 2.340 621 D HA 0.004 4.642 4.640 -0.002 0.000 0.220 621 D C 0.434 176.750 176.300 0.027 0.000 1.039 621 D CA 0.404 54.409 54.000 0.009 0.000 0.866 621 D CB 0.360 41.166 40.800 0.010 0.000 0.913 621 D HN 0.611 nan 8.370 nan 0.000 0.523 622 E N 0.246 120.473 120.200 0.045 0.000 2.339 622 E HA 0.572 4.921 4.350 -0.002 0.000 0.262 622 E C -2.969 173.674 176.600 0.072 0.000 0.934 622 E CA -2.321 54.110 56.400 0.051 0.000 0.802 622 E CB 1.981 31.712 29.700 0.052 0.000 1.275 622 E HN -0.271 nan 8.360 nan 0.000 0.427 623 P HA 0.111 nan 4.420 nan 0.000 0.282 623 P C -0.733 176.635 177.300 0.113 0.000 1.249 623 P CA -0.583 62.571 63.100 0.090 0.000 0.806 623 P CB 1.059 32.798 31.700 0.065 0.000 0.984 624 V N 0.716 120.731 119.914 0.168 0.000 2.435 624 V HA 0.659 4.778 4.120 -0.002 0.000 0.290 624 V C -0.057 176.119 176.094 0.136 0.000 1.030 624 V CA -0.642 61.772 62.300 0.189 0.000 0.881 624 V CB 1.351 33.391 31.823 0.361 0.000 0.983 624 V HN 0.415 nan 8.190 nan 0.000 0.445 625 R N 1.650 122.194 120.500 0.073 0.000 2.960 625 R HA 0.572 4.911 4.340 -0.002 0.000 0.249 625 R C -0.656 175.636 176.300 -0.012 0.000 1.192 625 R CA -0.700 55.421 56.100 0.035 0.000 1.035 625 R CB 0.625 30.936 30.300 0.019 0.000 1.234 625 R HN 0.808 nan 8.270 nan 0.000 0.493 626 D N -0.006 120.377 120.400 -0.029 0.000 2.689 626 D HA -0.157 4.482 4.640 -0.002 0.000 0.237 626 D C -0.738 175.480 176.300 -0.137 0.000 1.148 626 D CA 0.605 54.565 54.000 -0.068 0.000 0.656 626 D CB -1.569 39.192 40.800 -0.065 0.000 1.050 626 D HN 0.385 nan 8.370 nan 0.000 0.426 627 C N 0.632 119.849 119.300 -0.139 0.000 2.576 627 C HA 0.451 4.909 4.460 -0.002 0.000 0.401 627 C C 1.005 175.812 174.990 -0.305 0.000 1.314 627 C CA -0.684 58.147 59.018 -0.311 0.000 1.855 627 C CB 0.578 28.256 27.740 -0.104 0.000 2.537 627 C HN 0.180 nan 8.230 nan 0.000 0.578 628 V N 5.519 125.146 119.914 -0.478 0.000 2.638 628 V HA 0.462 4.580 4.120 -0.002 0.000 0.306 628 V C -0.353 175.553 176.094 -0.313 0.000 1.052 628 V CA -0.470 61.649 62.300 -0.301 0.000 0.885 628 V CB 1.774 33.455 31.823 -0.238 0.000 0.999 628 V HN 0.782 nan 8.190 nan 0.000 0.424 629 L N 5.740 126.882 121.223 -0.135 0.000 2.322 629 L HA 0.695 5.033 4.340 -0.002 0.000 0.281 629 L C -0.915 175.879 176.870 -0.127 0.000 1.014 629 L CA -0.395 54.415 54.840 -0.050 0.000 0.815 629 L CB 1.578 43.667 42.059 0.049 0.000 1.247 629 L HN 0.679 nan 8.230 nan 0.000 0.421 630 M N 5.493 125.013 119.600 -0.133 0.000 2.259 630 M HA 0.518 4.997 4.480 -0.002 0.000 0.304 630 M C -1.207 174.994 176.300 -0.166 0.000 1.019 630 M CA -0.693 54.512 55.300 -0.159 0.000 0.922 630 M CB 2.298 34.806 32.600 -0.153 0.000 1.600 630 M HN 0.246 nan 8.290 nan 0.000 0.433 631 V N 2.380 122.169 119.914 -0.209 0.000 2.789 631 V HA 0.694 4.813 4.120 -0.002 0.000 0.311 631 V C -0.670 175.338 176.094 -0.142 0.000 1.073 631 V CA -0.569 61.611 62.300 -0.200 0.000 0.921 631 V CB 2.323 33.923 31.823 -0.372 0.000 1.009 631 V HN 0.977 nan 8.190 nan 0.000 0.426 632 E N 2.065 122.205 120.200 -0.099 0.000 2.429 632 E HA 0.789 5.138 4.350 -0.002 0.000 0.280 632 E C -0.672 175.893 176.600 -0.058 0.000 1.068 632 E CA -0.952 55.402 56.400 -0.076 0.000 0.837 632 E CB 2.359 32.001 29.700 -0.097 0.000 1.357 632 E HN 1.148 nan 8.360 nan 0.000 0.455 633 G N 0.765 109.541 108.800 -0.040 0.000 1.843 633 G HA2 0.265 4.224 3.960 -0.002 0.000 0.278 633 G HA3 0.265 4.224 3.960 -0.002 0.000 0.278 633 G C -0.925 173.978 174.900 0.004 0.000 1.708 633 G CA -0.666 44.419 45.100 -0.026 0.000 0.918 633 G HN 0.392 nan 8.290 nan 0.000 0.661 634 S N 0.358 116.066 115.700 0.013 0.000 2.544 634 S HA 0.419 4.888 4.470 -0.002 0.000 0.290 634 S C 1.667 176.304 174.600 0.062 0.000 1.276 634 S CA 1.708 59.941 58.200 0.054 0.000 1.075 634 S CB 1.013 64.267 63.200 0.091 0.000 0.849 634 S HN 2.357 nan 8.310 nan 0.000 0.494 635 G N 2.166 111.004 108.800 0.062 0.000 2.217 635 G HA2 -0.232 3.726 3.960 -0.002 0.000 0.246 635 G HA3 -0.232 3.726 3.960 -0.002 0.000 0.246 635 G C 0.571 175.496 174.900 0.041 0.000 0.990 635 G CA 0.374 45.505 45.100 0.052 0.000 0.627 635 G HN 0.581 nan 8.290 nan 0.000 0.522 636 L N -0.182 121.065 121.223 0.040 0.000 2.362 636 L HA 0.473 4.812 4.340 -0.002 0.000 0.204 636 L C 0.894 177.793 176.870 0.049 0.000 1.060 636 L CA 0.768 55.634 54.840 0.042 0.000 0.827 636 L CB -0.020 42.066 42.059 0.045 0.000 1.027 636 L HN 0.440 nan 8.230 nan 0.000 0.474 637 L N -2.026 119.224 121.223 0.044 0.000 2.518 637 L HA 0.444 4.782 4.340 -0.002 0.000 0.257 637 L C -1.034 175.854 176.870 0.031 0.000 0.980 637 L CA -0.872 53.993 54.840 0.042 0.000 0.837 637 L CB 1.070 43.160 42.059 0.052 0.000 1.410 637 L HN -0.112 nan 8.230 nan 0.000 0.410 638 L N 2.811 124.051 121.223 0.030 0.000 2.315 638 L HA 0.601 4.940 4.340 -0.002 0.000 0.283 638 L C 1.328 178.208 176.870 0.016 0.000 1.089 638 L CA 0.856 55.712 54.840 0.028 0.000 0.833 638 L CB 0.265 42.343 42.059 0.031 0.000 1.170 638 L HN 1.146 nan 8.230 nan 0.000 0.442 639 G N 4.028 112.836 108.800 0.013 0.000 2.562 639 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.250 639 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.250 639 G C -0.461 174.428 174.900 -0.020 0.000 1.269 639 G CA -0.002 45.099 45.100 0.002 0.000 0.919 639 G HN 0.782 nan 8.290 nan 0.000 0.574 640 N N -0.439 118.245 118.700 -0.026 0.000 2.392 640 N HA 0.575 5.314 4.740 -0.002 0.000 0.283 640 N C -0.270 175.198 175.510 -0.069 0.000 1.003 640 N CA -0.674 52.344 53.050 -0.053 0.000 0.892 640 N CB 1.206 39.666 38.487 -0.044 0.000 1.193 640 N HN 0.713 nan 8.380 nan 0.000 0.487 641 L N 3.353 124.512 121.223 -0.108 0.000 2.265 641 L HA 0.382 4.721 4.340 -0.002 0.000 0.288 641 L C -0.357 176.417 176.870 -0.160 0.000 1.058 641 L CA -0.476 54.281 54.840 -0.138 0.000 0.809 641 L CB 0.472 42.404 42.059 -0.212 0.000 1.179 641 L HN 0.593 nan 8.230 nan 0.000 0.429 642 K N 6.615 126.941 120.400 -0.123 0.000 2.323 642 K HA 0.565 4.884 4.320 -0.002 0.000 0.259 642 K C -1.419 175.119 176.600 -0.104 0.000 0.947 642 K CA -0.569 55.647 56.287 -0.118 0.000 0.819 642 K CB 1.334 33.777 32.500 -0.094 0.000 1.109 642 K HN 0.594 nan 8.250 nan 0.000 0.429 643 I N 3.345 123.851 120.570 -0.107 0.000 2.499 643 I HA 0.181 4.350 4.170 -0.002 0.000 0.288 643 I C -0.672 175.417 176.117 -0.047 0.000 1.048 643 I CA -0.973 60.288 61.300 -0.066 0.000 1.062 643 I CB 2.019 39.982 38.000 -0.062 0.000 1.238 643 I HN 0.493 nan 8.210 nan 0.000 0.426 644 D N 5.977 126.358 120.400 -0.031 0.000 2.308 644 D HA 0.306 4.945 4.640 -0.002 0.000 0.251 644 D C -0.420 175.887 176.300 0.012 0.000 1.127 644 D CA 0.018 54.001 54.000 -0.027 0.000 0.876 644 D CB 2.367 43.152 40.800 -0.026 0.000 1.176 644 D HN 0.041 nan 8.370 nan 0.000 0.446 645 V N 4.749 124.680 119.914 0.027 0.000 2.459 645 V HA 0.317 4.436 4.120 -0.002 0.000 0.295 645 V C -1.786 174.353 176.094 0.076 0.000 1.029 645 V CA -1.477 60.877 62.300 0.091 0.000 0.874 645 V CB 1.789 33.740 31.823 0.214 0.000 0.985 645 V HN 0.463 nan 8.190 nan 0.000 0.438 646 P HA 0.115 nan 4.420 nan 0.000 0.273 646 P C 0.009 177.362 177.300 0.088 0.000 1.250 646 P CA -0.188 62.951 63.100 0.064 0.000 0.793 646 P CB 0.302 32.035 31.700 0.055 0.000 1.011 647 T N 1.145 115.741 114.554 0.070 0.000 2.933 647 T HA 0.055 4.404 4.350 -0.002 0.000 0.306 647 T C 0.213 174.978 174.700 0.107 0.000 1.045 647 T CA 0.487 62.638 62.100 0.085 0.000 1.143 647 T CB -0.303 68.601 68.868 0.060 0.000 1.003 647 T HN 0.239 nan 8.240 nan 0.000 0.540 648 L N 4.134 125.445 121.223 0.146 0.000 2.298 648 L HA 0.628 4.967 4.340 -0.002 0.000 0.284 648 L C 0.610 177.555 176.870 0.124 0.000 1.013 648 L CA -0.116 54.816 54.840 0.152 0.000 0.824 648 L CB 0.765 42.968 42.059 0.241 0.000 1.221 648 L HN 0.727 nan 8.230 nan 0.000 0.418 649 G N 4.719 113.567 108.800 0.080 0.000 2.684 649 G HA2 0.343 4.302 3.960 -0.002 0.000 0.255 649 G HA3 0.343 4.302 3.960 -0.002 0.000 0.255 649 G C -2.631 172.301 174.900 0.053 0.000 1.219 649 G CA -1.137 43.999 45.100 0.060 0.000 0.901 649 G HN 0.542 nan 8.290 nan 0.000 0.548 650 P HA 0.166 nan 4.420 nan 0.000 0.264 650 P C 0.062 177.362 177.300 0.000 0.000 1.193 650 P CA 0.244 63.360 63.100 0.026 0.000 0.763 650 P CB 0.584 32.296 31.700 0.019 0.000 0.810 651 K N -0.598 119.789 120.400 -0.022 0.000 3.495 651 K HA -0.202 4.117 4.320 -0.002 0.000 0.315 651 K C 0.397 176.959 176.600 -0.063 0.000 1.301 651 K CA 1.346 57.601 56.287 -0.053 0.000 0.985 651 K CB -1.412 31.064 32.500 -0.041 0.000 1.244 651 K HN 0.547 nan 8.250 nan 0.000 0.433 652 E N 0.422 120.597 120.200 -0.041 0.000 2.369 652 E HA 0.237 4.586 4.350 -0.002 0.000 0.255 652 E C 0.016 176.571 176.600 -0.076 0.000 1.172 652 E CA -0.442 55.936 56.400 -0.037 0.000 0.932 652 E CB 0.774 30.477 29.700 0.004 0.000 1.040 652 E HN 0.202 nan 8.360 nan 0.000 0.454 653 R N -0.021 120.443 120.500 -0.060 0.000 2.686 653 R HA 0.287 4.626 4.340 -0.002 0.000 0.286 653 R C -0.951 175.334 176.300 -0.024 0.000 0.969 653 R CA -0.378 55.672 56.100 -0.085 0.000 0.898 653 R CB 1.694 31.938 30.300 -0.095 0.000 1.183 653 R HN 0.408 nan 8.270 nan 0.000 0.456 654 S N 2.921 118.617 115.700 -0.007 0.000 2.429 654 S HA 0.400 4.868 4.470 -0.002 0.000 0.302 654 S C -0.728 173.879 174.600 0.012 0.000 1.115 654 S CA -0.695 57.527 58.200 0.036 0.000 1.095 654 S CB 0.636 63.886 63.200 0.084 0.000 0.987 654 S HN 0.524 nan 8.310 nan 0.000 0.474 655 R N 4.504 125.019 120.500 0.024 0.000 2.371 655 R HA 0.474 4.813 4.340 -0.002 0.000 0.312 655 R C -1.652 174.677 176.300 0.048 0.000 0.980 655 R CA -0.366 55.745 56.100 0.020 0.000 0.867 655 R CB 1.326 31.628 30.300 0.003 0.000 1.163 655 R HN 0.531 nan 8.270 nan 0.000 0.492 656 V N 4.961 124.921 119.914 0.076 0.000 2.448 656 V HA 0.502 4.621 4.120 -0.002 0.000 0.295 656 V C 0.274 176.460 176.094 0.153 0.000 1.025 656 V CA -0.809 61.567 62.300 0.127 0.000 0.859 656 V CB 1.988 33.915 31.823 0.173 0.000 0.988 656 V HN 0.569 nan 8.190 nan 0.000 0.431 657 R N 3.848 124.422 120.500 0.123 0.000 2.532 657 R HA 0.806 5.145 4.340 -0.002 0.000 0.295 657 R C -1.245 175.158 176.300 0.173 0.000 0.968 657 R CA -0.414 55.718 56.100 0.053 0.000 0.916 657 R CB 1.953 32.248 30.300 -0.008 0.000 1.124 657 R HN 0.745 nan 8.270 nan 0.000 0.463 658 F N -1.119 118.833 119.950 0.002 0.000 2.678 658 F HA 0.486 5.012 4.527 -0.001 0.000 0.308 658 F C -1.521 174.278 175.800 -0.000 0.000 1.118 658 F CA -1.329 56.672 58.000 0.002 0.000 0.959 658 F CB 1.382 40.384 39.000 0.003 0.000 1.305 658 F HN 0.224 nan 8.300 nan 0.000 0.443 659 D N 2.449 122.933 120.400 0.140 0.000 2.269 659 D HA 0.688 5.327 4.640 -0.002 0.000 0.244 659 D C -0.371 176.020 176.300 0.151 0.000 0.992 659 D CA -0.165 53.859 54.000 0.041 0.000 0.894 659 D CB 2.440 43.255 40.800 0.025 0.000 1.248 659 D HN 0.821 nan 8.370 nan 0.000 0.468 660 I N -2.047 118.574 120.570 0.085 0.000 2.892 660 I HA 0.616 4.785 4.170 -0.002 0.000 0.306 660 I C -1.287 174.862 176.117 0.053 0.000 1.078 660 I CA -1.233 60.130 61.300 0.105 0.000 1.032 660 I CB 2.179 40.253 38.000 0.122 0.000 1.229 660 I HN 0.068 nan 8.210 nan 0.000 0.435 661 L N 5.307 126.560 121.223 0.050 0.000 2.433 661 L HA 0.645 4.984 4.340 -0.002 0.000 0.256 661 L C -2.585 174.304 176.870 0.032 0.000 1.063 661 L CA -1.807 53.053 54.840 0.034 0.000 0.922 661 L CB 0.611 42.689 42.059 0.032 0.000 1.238 661 L HN 0.397 nan 8.230 nan 0.000 0.466 662 P HA 0.065 nan 4.420 nan 0.000 0.263 662 P C 0.197 177.511 177.300 0.024 0.000 1.175 662 P CA 0.484 63.600 63.100 0.025 0.000 0.761 662 P CB 0.672 32.383 31.700 0.018 0.000 0.794 663 S N 2.606 118.322 115.700 0.027 0.000 2.524 663 S HA 0.155 4.624 4.470 -0.002 0.000 0.222 663 S C 0.612 175.223 174.600 0.019 0.000 1.040 663 S CA -0.195 58.020 58.200 0.025 0.000 0.915 663 S CB 0.352 63.571 63.200 0.032 0.000 0.831 663 S HN 0.419 nan 8.310 nan 0.000 0.492 664 R N 1.924 122.435 120.500 0.018 0.000 2.621 664 R HA 0.497 4.836 4.340 -0.002 0.000 0.284 664 R C -0.693 175.613 176.300 0.010 0.000 0.998 664 R CA -0.180 55.925 56.100 0.009 0.000 0.895 664 R CB 1.917 32.219 30.300 0.004 0.000 1.195 664 R HN 0.345 nan 8.270 nan 0.000 0.450 665 S N 1.964 117.667 115.700 0.005 0.000 2.614 665 S HA 0.795 5.263 4.470 -0.002 0.000 0.265 665 S C 0.504 175.109 174.600 0.009 0.000 1.303 665 S CA 0.407 58.611 58.200 0.007 0.000 1.000 665 S CB 1.439 64.642 63.200 0.005 0.000 0.935 665 S HN 1.132 nan 8.310 nan 0.000 0.551 666 G N 0.131 108.937 108.800 0.011 0.000 2.373 666 G HA2 0.075 4.033 3.960 -0.002 0.000 0.634 666 G HA3 0.075 4.033 3.960 -0.002 0.000 0.634 666 G C -0.619 174.290 174.900 0.015 0.000 1.267 666 G CA -0.523 44.585 45.100 0.014 0.000 1.008 666 G HN 1.015 nan 8.290 nan 0.000 0.497 667 T N 2.780 117.344 114.554 0.018 0.000 2.727 667 T HA 0.513 4.862 4.350 -0.002 0.000 0.295 667 T C 0.288 175.002 174.700 0.022 0.000 0.915 667 T CA -0.094 62.016 62.100 0.016 0.000 1.066 667 T CB 0.560 69.437 68.868 0.014 0.000 0.891 667 T HN 0.532 nan 8.240 nan 0.000 0.516 668 K N 2.730 123.141 120.400 0.019 0.000 2.185 668 K HA 0.431 4.750 4.320 -0.002 0.000 0.240 668 K C -0.203 176.405 176.600 0.013 0.000 0.983 668 K CA -0.865 55.435 56.287 0.023 0.000 0.873 668 K CB 1.613 34.128 32.500 0.025 0.000 1.118 668 K HN 0.520 nan 8.250 nan 0.000 0.441 669 Q N 1.696 121.501 119.800 0.008 0.000 2.341 669 Q HA 0.327 4.665 4.340 -0.002 0.000 0.268 669 Q C -1.446 174.546 176.000 -0.013 0.000 1.013 669 Q CA -0.836 54.962 55.803 -0.008 0.000 0.798 669 Q CB 1.190 29.913 28.738 -0.024 0.000 1.253 669 Q HN 0.411 nan 8.270 nan 0.000 0.457 670 L N 5.394 126.616 121.223 -0.002 0.000 2.275 670 L HA 0.511 4.849 4.340 -0.002 0.000 0.288 670 L C -1.612 175.253 176.870 -0.008 0.000 1.046 670 L CA -0.097 54.750 54.840 0.011 0.000 0.805 670 L CB 0.994 43.084 42.059 0.051 0.000 1.193 670 L HN 0.668 nan 8.230 nan 0.000 0.426 671 L N 5.093 126.297 121.223 -0.032 0.000 2.342 671 L HA 0.934 5.273 4.340 -0.002 0.000 0.271 671 L C -0.452 176.389 176.870 -0.049 0.000 1.008 671 L CA -0.737 54.071 54.840 -0.054 0.000 0.818 671 L CB 1.850 43.845 42.059 -0.107 0.000 1.296 671 L HN 0.763 nan 8.230 nan 0.000 0.427 672 A N 1.329 124.126 122.820 -0.038 0.000 2.486 672 A HA 0.629 4.948 4.320 -0.002 0.000 0.300 672 A C -1.778 175.789 177.584 -0.029 0.000 1.048 672 A CA -0.468 51.547 52.037 -0.036 0.000 0.696 672 A CB 1.912 20.916 19.000 0.006 0.000 1.278 672 A HN 0.731 nan 8.150 nan 0.000 0.405 673 D N 0.507 120.884 120.400 -0.040 0.000 2.502 673 D HA 0.592 5.231 4.640 -0.002 0.000 0.249 673 D C -1.537 174.762 176.300 -0.002 0.000 1.092 673 D CA -0.087 53.893 54.000 -0.034 0.000 0.839 673 D CB 0.937 41.687 40.800 -0.083 0.000 1.264 673 D HN 0.314 nan 8.370 nan 0.000 0.511 674 F N 3.150 123.008 119.950 -0.155 0.000 2.427 674 F HA 0.567 5.093 4.527 -0.002 0.000 0.348 674 F C -1.114 174.571 175.800 -0.191 0.000 1.125 674 F CA -0.428 57.450 58.000 -0.204 0.000 0.989 674 F CB 1.492 40.303 39.000 -0.315 0.000 1.165 674 F HN 0.220 nan 8.300 nan 0.000 0.442 675 S N 5.179 120.478 115.700 -0.668 0.000 2.500 675 S HA 0.763 5.231 4.470 -0.002 0.000 0.301 675 S C -0.902 173.336 174.600 -0.603 0.000 1.092 675 S CA -0.565 57.355 58.200 -0.465 0.000 1.030 675 S CB 1.041 64.075 63.200 -0.277 0.000 1.031 675 S HN 0.880 nan 8.310 nan 0.000 0.483 676 C N 2.022 121.128 119.300 -0.324 0.000 3.340 676 C HA 0.611 5.070 4.460 -0.002 0.000 0.333 676 C C 1.559 176.511 174.990 -0.063 0.000 1.464 676 C CA -0.871 58.026 59.018 -0.202 0.000 1.337 676 C CB 0.683 28.365 27.740 -0.096 0.000 1.740 676 C HN 0.854 nan 8.230 nan 0.000 0.450 677 N N 1.404 120.084 118.700 -0.035 0.000 2.166 677 N HA -0.155 4.584 4.740 -0.002 0.000 0.186 677 N C 1.006 176.484 175.510 -0.054 0.000 1.019 677 N CA 1.581 54.609 53.050 -0.035 0.000 0.856 677 N CB -0.365 38.105 38.487 -0.029 0.000 0.993 677 N HN 0.747 nan 8.380 nan 0.000 0.426 678 K N -0.673 119.681 120.400 -0.077 0.000 2.379 678 K HA 0.144 4.462 4.320 -0.002 0.000 0.194 678 K C -0.297 175.995 176.600 -0.513 0.000 1.031 678 K CA 0.097 56.212 56.287 -0.286 0.000 1.037 678 K CB 0.376 32.656 32.500 -0.367 0.000 0.824 678 K HN 0.230 nan 8.250 nan 0.000 0.516 679 F N 2.684 122.689 119.950 0.091 0.000 2.809 679 F HA 0.243 4.769 4.527 -0.002 0.000 0.369 679 F C -2.415 173.391 175.800 0.010 0.000 1.225 679 F CA -2.127 55.928 58.000 0.090 0.000 1.201 679 F CB 1.761 40.843 39.000 0.137 0.000 1.527 679 F HN -0.181 nan 8.300 nan 0.000 0.565 680 P HA 0.217 nan 4.420 nan 0.000 0.279 680 P C 0.045 177.386 177.300 0.068 0.000 1.239 680 P CA 0.122 63.258 63.100 0.060 0.000 0.789 680 P CB 1.700 33.433 31.700 0.056 0.000 0.933 681 A N 3.139 125.957 122.820 -0.003 0.000 2.362 681 A HA -0.182 4.137 4.320 -0.002 0.000 0.290 681 A C 0.298 177.903 177.584 0.035 0.000 1.441 681 A CA 0.350 52.386 52.037 -0.002 0.000 0.743 681 A CB -2.488 16.518 19.000 0.010 0.000 1.125 681 A HN 0.467 nan 8.150 nan 0.000 0.378 682 I N 1.431 122.026 120.570 0.041 0.000 2.474 682 I HA 0.269 4.437 4.170 -0.002 0.000 0.287 682 I C 0.545 176.675 176.117 0.021 0.000 1.048 682 I CA -0.338 60.986 61.300 0.040 0.000 1.383 682 I CB 0.973 38.979 38.000 0.010 0.000 1.412 682 I HN 0.288 nan 8.210 nan 0.000 0.531 683 K N 5.216 125.619 120.400 0.005 0.000 2.203 683 K HA 0.856 5.174 4.320 -0.002 0.000 0.251 683 K C -0.836 175.756 176.600 -0.013 0.000 0.944 683 K CA -0.700 55.582 56.287 -0.009 0.000 0.829 683 K CB 2.260 34.744 32.500 -0.027 0.000 1.125 683 K HN 0.681 nan 8.250 nan 0.000 0.430 684 A N 2.188 125.000 122.820 -0.014 0.000 2.498 684 A HA 0.840 5.158 4.320 -0.002 0.000 0.298 684 A C -1.232 176.340 177.584 -0.019 0.000 1.075 684 A CA -0.789 51.241 52.037 -0.012 0.000 0.714 684 A CB 1.900 20.902 19.000 0.004 0.000 1.299 684 A HN 0.751 nan 8.150 nan 0.000 0.407 685 M N 2.003 121.591 119.600 -0.021 0.000 2.371 685 M HA 0.697 5.176 4.480 -0.002 0.000 0.287 685 M C -2.635 173.655 176.300 -0.017 0.000 1.149 685 M CA -0.805 54.479 55.300 -0.027 0.000 0.929 685 M CB 1.915 34.487 32.600 -0.047 0.000 1.683 685 M HN 0.844 nan 8.290 nan 0.000 0.470 686 L N 3.336 124.553 121.223 -0.010 0.000 2.476 686 L HA 0.524 4.863 4.340 -0.002 0.000 0.269 686 L C -1.204 175.662 176.870 -0.007 0.000 0.965 686 L CA 0.168 55.005 54.840 -0.007 0.000 0.845 686 L CB 2.202 44.263 42.059 0.003 0.000 1.259 686 L HN 0.781 nan 8.230 nan 0.000 0.403 687 S N 5.336 121.030 115.700 -0.010 0.000 2.548 687 S HA 0.702 5.171 4.470 -0.002 0.000 0.277 687 S C -0.327 174.271 174.600 -0.004 0.000 1.315 687 S CA -0.260 57.937 58.200 -0.007 0.000 1.050 687 S CB 0.043 63.238 63.200 -0.007 0.000 0.918 687 S HN 0.514 nan 8.310 nan 0.000 0.497 688 I N 3.840 124.410 120.570 0.000 0.000 2.478 688 I HA 0.278 4.447 4.170 -0.002 0.000 0.287 688 I C -0.940 175.179 176.117 0.003 0.000 1.042 688 I CA -0.782 60.518 61.300 -0.000 0.000 1.067 688 I CB 2.056 40.058 38.000 0.003 0.000 1.233 688 I HN 0.496 nan 8.210 nan 0.000 0.431 689 D N 6.855 127.255 120.400 -0.000 0.000 2.365 689 D HA 0.195 4.833 4.640 -0.002 0.000 0.237 689 D C -0.236 176.065 176.300 0.002 0.000 1.190 689 D CA -0.033 53.968 54.000 0.002 0.000 0.867 689 D CB 1.954 42.755 40.800 0.000 0.000 1.050 689 D HN 0.051 nan 8.370 nan 0.000 0.491 690 V N 2.200 122.117 119.914 0.006 0.000 2.406 690 V HA 0.435 4.553 4.120 -0.002 0.000 0.272 690 V C 0.746 176.843 176.094 0.005 0.000 1.043 690 V CA -0.758 61.545 62.300 0.006 0.000 0.915 690 V CB 1.110 32.938 31.823 0.010 0.000 0.988 690 V HN 0.573 nan 8.190 nan 0.000 0.466 691 A N 3.971 126.793 122.820 0.003 0.000 2.286 691 A HA 0.649 4.968 4.320 -0.002 0.000 0.286 691 A C 0.127 177.713 177.584 0.004 0.000 1.097 691 A CA -0.383 51.656 52.037 0.003 0.000 0.821 691 A CB 0.698 19.699 19.000 0.001 0.000 1.076 691 A HN 0.826 nan 8.150 nan 0.000 0.490 692 E N 0.000 120.203 120.200 0.004 0.000 2.725 692 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 692 E CA 0.000 56.403 56.400 0.005 0.000 0.976 692 E CB 0.000 29.703 29.700 0.005 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440