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 3kfu_1_H DATA FIRST_RESID 2 DATA SEQUENCE LAHEIRARVA RGEVSPLEVA QAYLKRVQEL DPGLGAFLSL NERLLEEAEA DATA SEQUENCE VDPGLPLAGL VVAVKDNIAT RGLRTTAGSR LLENFVPPYE ATAVARLKAL DATA SEQUENCE GALVLGKTNL DEFGMGSSTE HSAFFPTKNP FDPDRVPGGS SGGSAAALAA DATA SEQUENCE DLAPLALGSD TGGSVRQPAA FCGVYGLKPT YGRVSRFGLI AYASSLDQIG DATA SEQUENCE PMARSVRDLA LLMDAAAGPD PLDATSLDLP PRFQEALEGP LPPLRLGVVR DATA SEQUENCE EALAGNSPGV ERALEEALKV FRELGLSVRE VSWPSLPQAL AAYYILAPAE DATA SEQUENCE ASSNLARYDG TLYGRRAAGE EVEGMMEATR ALFGLEVKRR VLVGTFVLSS DATA SEQUENCE GYYEAYYGRA QAFRRRLKAE AQALFREVDL LLLPTTPHPA FPFGARRDPL DATA SEQUENCE AMYREDLYTV GANLTGLPAL SFPAGFEGHL PVGLQLLAPW GEDERLLRAA DATA SEQUENCE LAFEEATARA HLKAPLG 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.784 176.870 -0.143 0.000 1.165 2 L CA 0.000 54.759 54.840 -0.135 0.000 0.813 2 L CB 0.000 42.060 42.059 0.002 0.000 0.961 3 A N 0.322 123.094 122.820 -0.081 0.000 1.855 3 A HA -0.174 4.141 4.320 -0.009 0.000 0.215 3 A C 2.035 179.604 177.584 -0.025 0.000 1.191 3 A CA 1.867 53.897 52.037 -0.013 0.000 0.613 3 A CB -1.055 17.971 19.000 0.043 0.000 0.829 3 A HN 0.764 nan 8.150 nan 0.000 0.442 4 H N -0.690 118.404 119.070 0.040 0.000 2.457 4 H HA -0.013 4.537 4.556 -0.009 0.000 0.294 4 H C 1.485 176.835 175.328 0.036 0.000 1.064 4 H CA 1.352 57.419 56.048 0.032 0.000 1.330 4 H CB -0.393 29.385 29.762 0.026 0.000 1.395 4 H HN 0.633 nan 8.280 nan 0.000 0.541 5 E N 0.980 120.929 120.200 -0.419 0.000 2.072 5 E HA -0.067 4.277 4.350 -0.009 0.000 0.191 5 E C 2.459 179.032 176.600 -0.046 0.000 0.985 5 E CA 1.085 57.373 56.400 -0.187 0.000 0.801 5 E CB 0.112 29.670 29.700 -0.237 0.000 0.750 5 E HN 0.485 nan 8.360 nan 0.000 0.452 6 I N 0.804 121.354 120.570 -0.033 0.000 2.142 6 I HA -0.244 3.921 4.170 -0.009 0.000 0.240 6 I C 2.606 178.743 176.117 0.034 0.000 1.078 6 I CA 0.814 62.127 61.300 0.022 0.000 1.343 6 I CB -0.157 37.878 38.000 0.059 0.000 1.046 6 I HN -0.002 nan 8.210 nan 0.000 0.405 7 R N 1.712 122.235 120.500 0.040 0.000 2.127 7 R HA -0.131 4.203 4.340 -0.009 0.000 0.238 7 R C 2.069 178.398 176.300 0.047 0.000 1.134 7 R CA 1.737 57.864 56.100 0.046 0.000 0.975 7 R CB -0.841 29.492 30.300 0.056 0.000 0.865 7 R HN 0.399 nan 8.270 nan 0.000 0.447 8 A N 0.711 123.564 122.820 0.055 0.000 1.858 8 A HA -0.167 4.148 4.320 -0.009 0.000 0.216 8 A C 2.150 179.757 177.584 0.037 0.000 1.190 8 A CA 1.701 53.771 52.037 0.054 0.000 0.617 8 A CB -0.461 18.581 19.000 0.069 0.000 0.827 8 A HN 0.426 nan 8.150 nan 0.000 0.443 9 R N -0.596 119.923 120.500 0.031 0.000 2.120 9 R HA -0.071 4.264 4.340 -0.009 0.000 0.234 9 R C 1.904 178.219 176.300 0.024 0.000 1.123 9 R CA 1.351 57.466 56.100 0.024 0.000 0.975 9 R CB -0.600 29.712 30.300 0.019 0.000 0.866 9 R HN 0.400 nan 8.270 nan 0.000 0.446 10 V N 1.018 120.948 119.914 0.028 0.000 2.379 10 V HA -0.156 3.958 4.120 -0.009 0.000 0.245 10 V C 2.411 178.519 176.094 0.023 0.000 1.044 10 V CA 1.871 64.186 62.300 0.026 0.000 1.036 10 V CB -0.571 31.269 31.823 0.030 0.000 0.664 10 V HN 0.391 nan 8.190 nan 0.000 0.453 11 A N -0.008 122.827 122.820 0.026 0.000 2.067 11 A HA -0.144 4.170 4.320 -0.009 0.000 0.219 11 A C 2.202 179.798 177.584 0.020 0.000 1.158 11 A CA 1.180 53.231 52.037 0.023 0.000 0.661 11 A CB -0.394 18.622 19.000 0.026 0.000 0.801 11 A HN 0.542 nan 8.150 nan 0.000 0.452 12 R N -1.302 119.211 120.500 0.020 0.000 2.334 12 R HA 0.214 4.549 4.340 -0.009 0.000 0.220 12 R C 1.294 177.602 176.300 0.015 0.000 0.917 12 R CA 0.482 56.593 56.100 0.017 0.000 1.073 12 R CB -0.066 30.245 30.300 0.019 0.000 1.056 12 R HN 0.620 nan 8.270 nan 0.000 0.506 13 G N 1.604 110.413 108.800 0.015 0.000 2.184 13 G HA2 -0.356 3.599 3.960 -0.009 0.000 0.264 13 G HA3 -0.356 3.599 3.960 -0.009 0.000 0.264 13 G C 0.712 175.619 174.900 0.011 0.000 0.975 13 G CA 0.674 45.782 45.100 0.012 0.000 0.642 13 G HN 0.475 nan 8.290 nan 0.000 0.536 14 E N -0.760 119.448 120.200 0.012 0.000 2.153 14 E HA 0.168 4.512 4.350 -0.009 0.000 0.194 14 E C 0.866 177.472 176.600 0.010 0.000 0.988 14 E CA 1.289 57.695 56.400 0.010 0.000 0.811 14 E CB 0.152 29.858 29.700 0.011 0.000 0.746 14 E HN 0.489 nan 8.360 nan 0.000 0.466 15 V N 0.358 120.280 119.914 0.013 0.000 3.049 15 V HA 0.223 4.338 4.120 -0.009 0.000 0.309 15 V C -0.413 175.691 176.094 0.017 0.000 1.148 15 V CA -1.016 61.292 62.300 0.014 0.000 0.990 15 V CB 2.138 33.971 31.823 0.017 0.000 1.039 15 V HN 0.139 nan 8.190 nan 0.000 0.430 16 S N 2.119 117.829 115.700 0.016 0.000 2.593 16 S HA 0.580 5.045 4.470 -0.009 0.000 0.297 16 S C -2.098 172.516 174.600 0.023 0.000 1.112 16 S CA -1.527 56.684 58.200 0.017 0.000 1.043 16 S CB 1.990 65.197 63.200 0.013 0.000 1.054 16 S HN 0.472 nan 8.310 nan 0.000 0.516 17 P HA -0.124 nan 4.420 nan 0.000 0.216 17 P C 1.624 178.942 177.300 0.030 0.000 1.153 17 P CA 0.794 63.911 63.100 0.028 0.000 0.858 17 P CB 0.006 31.718 31.700 0.020 0.000 0.789 18 L N -0.409 120.826 121.223 0.021 0.000 2.042 18 L HA -0.221 4.114 4.340 -0.009 0.000 0.210 18 L C 2.348 179.230 176.870 0.021 0.000 1.076 18 L CA 1.729 56.579 54.840 0.017 0.000 0.749 18 L CB -0.515 41.550 42.059 0.010 0.000 0.893 18 L HN -0.028 nan 8.230 nan 0.000 0.432 19 E N -0.557 119.655 120.200 0.021 0.000 2.058 19 E HA -0.210 4.135 4.350 -0.009 0.000 0.194 19 E C 2.222 178.841 176.600 0.032 0.000 0.997 19 E CA 1.619 58.029 56.400 0.017 0.000 0.801 19 E CB -0.392 29.315 29.700 0.012 0.000 0.746 19 E HN 0.419 nan 8.360 nan 0.000 0.450 20 V N 1.725 121.674 119.914 0.059 0.000 2.343 20 V HA -0.262 3.852 4.120 -0.009 0.000 0.247 20 V C 2.476 178.680 176.094 0.183 0.000 1.051 20 V CA 1.787 64.160 62.300 0.122 0.000 1.036 20 V CB -0.913 31.000 31.823 0.150 0.000 0.654 20 V HN 0.245 nan 8.190 nan 0.000 0.451 21 A N -0.599 122.291 122.820 0.117 0.000 1.845 21 A HA -0.309 4.006 4.320 -0.009 0.000 0.215 21 A C 2.185 179.817 177.584 0.080 0.000 1.195 21 A CA 2.084 54.181 52.037 0.100 0.000 0.616 21 A CB -0.640 18.386 19.000 0.042 0.000 0.832 21 A HN 0.593 nan 8.150 nan 0.000 0.443 22 Q N -0.645 119.178 119.800 0.039 0.000 2.133 22 Q HA -0.223 4.112 4.340 -0.009 0.000 0.208 22 Q C 2.405 178.405 176.000 0.000 0.000 0.991 22 Q CA 1.645 57.455 55.803 0.012 0.000 0.867 22 Q CB -0.466 28.272 28.738 -0.000 0.000 0.911 22 Q HN 0.712 nan 8.270 nan 0.000 0.417 23 A N 0.079 122.894 122.820 -0.008 0.000 1.858 23 A HA -0.204 4.110 4.320 -0.009 0.000 0.216 23 A C 1.754 179.270 177.584 -0.114 0.000 1.190 23 A CA 1.433 53.417 52.037 -0.088 0.000 0.617 23 A CB -0.913 17.996 19.000 -0.153 0.000 0.827 23 A HN 0.389 nan 8.150 nan 0.000 0.443 24 Y N -0.512 119.773 120.300 -0.025 0.000 2.200 24 Y HA -0.072 4.472 4.550 -0.009 0.000 0.290 24 Y C 2.249 178.113 175.900 -0.061 0.000 1.137 24 Y CA 1.289 59.371 58.100 -0.030 0.000 1.163 24 Y CB -0.341 38.106 38.460 -0.021 0.000 0.988 24 Y HN 0.241 nan 8.280 nan 0.000 0.518 25 L N -0.037 121.234 121.223 0.081 0.000 2.042 25 L HA -0.303 4.032 4.340 -0.009 0.000 0.210 25 L C 2.185 179.038 176.870 -0.029 0.000 1.076 25 L CA 1.666 56.499 54.840 -0.011 0.000 0.749 25 L CB -0.270 41.777 42.059 -0.020 0.000 0.893 25 L HN 0.237 nan 8.230 nan 0.000 0.432 26 K N -0.586 119.800 120.400 -0.024 0.000 2.002 26 K HA -0.259 4.055 4.320 -0.009 0.000 0.209 26 K C 2.142 178.722 176.600 -0.033 0.000 1.048 26 K CA 1.710 57.977 56.287 -0.034 0.000 0.930 26 K CB -0.294 32.182 32.500 -0.040 0.000 0.714 26 K HN 0.217 nan 8.250 nan 0.000 0.438 27 R N 1.215 121.695 120.500 -0.035 0.000 2.103 27 R HA -0.170 4.164 4.340 -0.009 0.000 0.242 27 R C 2.044 178.347 176.300 0.004 0.000 1.142 27 R CA 1.541 57.627 56.100 -0.023 0.000 0.960 27 R CB -0.349 29.929 30.300 -0.036 0.000 0.858 27 R HN -0.011 nan 8.270 nan 0.000 0.439 28 V N 1.197 121.111 119.914 -0.000 0.000 2.261 28 V HA -0.262 3.852 4.120 -0.009 0.000 0.246 28 V C 2.309 178.383 176.094 -0.032 0.000 1.047 28 V CA 2.118 64.402 62.300 -0.027 0.000 1.015 28 V CB -0.612 31.100 31.823 -0.184 0.000 0.642 28 V HN 0.475 nan 8.190 nan 0.000 0.446 29 Q N -0.479 119.291 119.800 -0.049 0.000 2.297 29 Q HA -0.229 4.106 4.340 -0.009 0.000 0.208 29 Q C 2.014 177.998 176.000 -0.027 0.000 0.981 29 Q CA 1.594 57.372 55.803 -0.041 0.000 0.876 29 Q CB -0.081 28.632 28.738 -0.043 0.000 0.921 29 Q HN 0.739 nan 8.270 nan 0.000 0.446 30 E N -0.656 119.531 120.200 -0.021 0.000 2.340 30 E HA 0.058 4.402 4.350 -0.009 0.000 0.198 30 E C 1.551 178.143 176.600 -0.012 0.000 0.961 30 E CA 0.225 56.614 56.400 -0.019 0.000 0.905 30 E CB 0.479 30.165 29.700 -0.023 0.000 0.884 30 E HN 0.248 nan 8.360 nan 0.000 0.491 31 L N 0.288 121.513 121.223 0.003 0.000 2.500 31 L HA 0.087 4.421 4.340 -0.009 0.000 0.219 31 L C 1.968 178.858 176.870 0.032 0.000 1.057 31 L CA 0.288 55.137 54.840 0.015 0.000 0.854 31 L CB 0.178 42.253 42.059 0.027 0.000 1.078 31 L HN 0.009 nan 8.230 nan 0.000 0.480 32 D N 0.772 121.206 120.400 0.056 0.000 2.123 32 D HA -0.138 4.497 4.640 -0.009 0.000 0.196 32 D C -0.683 175.628 176.300 0.019 0.000 0.992 32 D CA 1.384 55.439 54.000 0.093 0.000 0.833 32 D CB -0.663 40.229 40.800 0.152 0.000 0.954 32 D HN 0.061 nan 8.370 nan 0.000 0.455 33 P HA -0.127 nan 4.420 nan 0.000 0.217 33 P C 1.434 178.681 177.300 -0.088 0.000 1.158 33 P CA 2.218 65.278 63.100 -0.067 0.000 0.887 33 P CB -0.322 31.347 31.700 -0.051 0.000 0.792 34 G N -1.319 107.450 108.800 -0.052 0.000 2.426 34 G HA2 -0.119 3.835 3.960 -0.009 0.000 0.214 34 G HA3 -0.119 3.835 3.960 -0.009 0.000 0.214 34 G C 1.532 176.410 174.900 -0.035 0.000 1.156 34 G CA 0.215 45.285 45.100 -0.050 0.000 0.802 34 G HN 0.209 nan 8.290 nan 0.000 0.534 35 L N 0.321 121.543 121.223 -0.002 0.000 2.044 35 L HA 0.168 4.503 4.340 -0.009 0.000 0.205 35 L C 2.067 178.963 176.870 0.043 0.000 1.075 35 L CA 0.860 55.722 54.840 0.036 0.000 0.747 35 L CB -0.464 41.635 42.059 0.067 0.000 0.903 35 L HN 0.391 nan 8.230 nan 0.000 0.435 36 G N -0.722 108.085 108.800 0.012 0.000 2.272 36 G HA2 -0.263 3.692 3.960 -0.009 0.000 0.280 36 G HA3 -0.263 3.692 3.960 -0.009 0.000 0.280 36 G C 0.741 175.777 174.900 0.227 0.000 1.067 36 G CA 0.405 45.511 45.100 0.010 0.000 0.902 36 G HN 0.488 nan 8.290 nan 0.000 0.500 37 A N -0.911 122.014 122.820 0.175 0.000 1.943 37 A HA 0.655 4.970 4.320 -0.009 0.000 0.213 37 A C 0.788 178.328 177.584 -0.074 0.000 1.181 37 A CA 0.700 52.758 52.037 0.034 0.000 0.653 37 A CB 0.171 19.128 19.000 -0.072 0.000 0.833 37 A HN 0.607 nan 8.150 nan 0.000 0.451 38 F N -0.454 119.584 119.950 0.147 0.000 2.399 38 F HA 0.475 4.996 4.527 -0.009 0.000 0.334 38 F C 1.018 176.920 175.800 0.170 0.000 1.097 38 F CA -0.478 57.591 58.000 0.115 0.000 1.076 38 F CB 1.410 40.450 39.000 0.067 0.000 1.162 38 F HN -0.030 nan 8.300 nan 0.000 0.495 39 L N 0.424 121.782 121.223 0.224 0.000 2.189 39 L HA 0.149 4.483 4.340 -0.009 0.000 0.199 39 L C 0.457 177.356 176.870 0.048 0.000 1.074 39 L CA 0.649 55.524 54.840 0.059 0.000 0.783 39 L CB -0.162 41.781 42.059 -0.193 0.000 0.955 39 L HN 0.455 nan 8.230 nan 0.000 0.460 40 S N -0.438 115.304 115.700 0.069 0.000 2.638 40 S HA 0.687 5.152 4.470 -0.009 0.000 0.302 40 S C -0.976 173.666 174.600 0.070 0.000 1.096 40 S CA -0.445 57.776 58.200 0.035 0.000 0.953 40 S CB 2.770 65.964 63.200 -0.010 0.000 1.107 40 S HN -0.099 nan 8.310 nan 0.000 0.503 41 L N 2.287 123.512 121.223 0.003 0.000 2.381 41 L HA 0.484 4.818 4.340 -0.009 0.000 0.268 41 L C -0.352 176.494 176.870 -0.040 0.000 0.997 41 L CA -0.568 54.244 54.840 -0.046 0.000 0.818 41 L CB 1.660 43.661 42.059 -0.095 0.000 1.310 41 L HN 0.615 nan 8.230 nan 0.000 0.416 42 N N 3.103 121.777 118.700 -0.044 0.000 2.406 42 N HA 0.007 4.741 4.740 -0.009 0.000 0.274 42 N C 0.253 175.739 175.510 -0.040 0.000 1.249 42 N CA 0.163 53.191 53.050 -0.035 0.000 0.951 42 N CB 0.305 38.774 38.487 -0.030 0.000 1.241 42 N HN 0.435 nan 8.380 nan 0.000 0.485 43 E N 2.877 123.057 120.200 -0.034 0.000 3.876 43 E HA -0.051 4.293 4.350 -0.009 0.000 0.398 43 E C 1.262 177.846 176.600 -0.027 0.000 1.531 43 E CA -0.046 56.335 56.400 -0.031 0.000 2.239 43 E CB 0.103 29.787 29.700 -0.027 0.000 1.198 43 E HN 0.545 nan 8.360 nan 0.000 0.720 44 R N 0.004 120.490 120.500 -0.023 0.000 2.228 44 R HA -0.186 4.148 4.340 -0.009 0.000 0.259 44 R C 2.186 178.476 176.300 -0.017 0.000 1.183 44 R CA 1.010 57.099 56.100 -0.019 0.000 1.002 44 R CB -0.710 29.581 30.300 -0.015 0.000 0.879 44 R HN 0.322 nan 8.270 nan 0.000 0.467 45 L N 0.643 121.854 121.223 -0.018 0.000 2.642 45 L HA -0.129 4.205 4.340 -0.009 0.000 0.236 45 L C 2.038 178.898 176.870 -0.016 0.000 1.169 45 L CA 0.165 54.995 54.840 -0.016 0.000 0.851 45 L CB -0.346 41.702 42.059 -0.018 0.000 0.968 45 L HN 0.189 nan 8.230 nan 0.000 0.453 46 L N -0.298 120.913 121.223 -0.019 0.000 2.116 46 L HA 0.002 4.336 4.340 -0.009 0.000 0.200 46 L C 2.335 179.198 176.870 -0.012 0.000 1.084 46 L CA 1.522 56.351 54.840 -0.018 0.000 0.766 46 L CB -0.359 41.684 42.059 -0.026 0.000 0.930 46 L HN -0.057 nan 8.230 nan 0.000 0.453 47 E N 0.323 120.516 120.200 -0.012 0.000 2.097 47 E HA -0.253 4.091 4.350 -0.009 0.000 0.196 47 E C 2.080 178.677 176.600 -0.006 0.000 1.000 47 E CA 1.884 58.279 56.400 -0.008 0.000 0.804 47 E CB -0.121 29.573 29.700 -0.010 0.000 0.740 47 E HN 0.588 nan 8.360 nan 0.000 0.454 48 E N -0.596 119.600 120.200 -0.007 0.000 2.077 48 E HA -0.168 4.176 4.350 -0.009 0.000 0.193 48 E C 1.914 178.512 176.600 -0.004 0.000 0.989 48 E CA 1.071 57.468 56.400 -0.006 0.000 0.800 48 E CB -0.168 29.528 29.700 -0.007 0.000 0.746 48 E HN 0.297 nan 8.360 nan 0.000 0.452 49 A N 0.870 123.687 122.820 -0.005 0.000 2.119 49 A HA -0.119 4.196 4.320 -0.009 0.000 0.216 49 A C 1.867 179.451 177.584 -0.001 0.000 1.152 49 A CA 0.943 52.978 52.037 -0.003 0.000 0.708 49 A CB -0.087 18.910 19.000 -0.006 0.000 0.805 49 A HN 0.075 nan 8.150 nan 0.000 0.460 50 E N -0.475 119.725 120.200 -0.000 0.000 2.481 50 E HA 0.241 4.585 4.350 -0.009 0.000 0.195 50 E C 0.984 177.587 176.600 0.005 0.000 1.047 50 E CA 0.731 57.133 56.400 0.003 0.000 0.867 50 E CB -0.011 29.692 29.700 0.006 0.000 0.858 50 E HN 0.439 nan 8.360 nan 0.000 0.513 51 A N 0.022 122.844 122.820 0.003 0.000 2.701 51 A HA 0.367 4.681 4.320 -0.009 0.000 0.297 51 A C -0.071 177.514 177.584 0.003 0.000 1.197 51 A CA -0.309 51.730 52.037 0.003 0.000 0.963 51 A CB 0.517 19.518 19.000 0.002 0.000 1.175 51 A HN 0.066 nan 8.150 nan 0.000 0.531 52 V N 0.901 120.817 119.914 0.003 0.000 3.098 52 V HA 0.189 4.303 4.120 -0.009 0.000 0.416 52 V C -1.212 174.884 176.094 0.004 0.000 1.449 52 V CA -0.248 62.054 62.300 0.003 0.000 1.486 52 V CB -0.010 31.814 31.823 0.002 0.000 1.277 52 V HN 0.663 nan 8.190 nan 0.000 0.623 53 D N -0.435 119.968 120.400 0.006 0.000 2.547 53 D HA 0.745 5.380 4.640 -0.009 0.000 0.231 53 D C -2.088 174.217 176.300 0.008 0.000 1.099 53 D CA -1.346 52.658 54.000 0.007 0.000 0.901 53 D CB 2.257 43.061 40.800 0.007 0.000 1.478 53 D HN 0.098 nan 8.370 nan 0.000 0.471 54 P HA 0.380 nan 4.420 nan 0.000 0.270 54 P C 0.282 177.589 177.300 0.011 0.000 1.284 54 P CA 0.139 63.245 63.100 0.009 0.000 0.780 54 P CB 0.290 31.995 31.700 0.009 0.000 1.892 55 G N 0.476 109.283 108.800 0.012 0.000 4.716 55 G HA2 0.474 4.428 3.960 -0.009 0.000 0.282 55 G HA3 0.474 4.428 3.960 -0.009 0.000 0.282 55 G C 0.276 175.185 174.900 0.014 0.000 1.173 55 G CA -0.278 44.830 45.100 0.014 0.000 0.913 55 G HN 0.064 nan 8.290 nan 0.000 0.566 56 L N -0.594 120.638 121.223 0.014 0.000 2.479 56 L HA 0.321 4.655 4.340 -0.009 0.000 0.249 56 L C -1.321 175.559 176.870 0.017 0.000 1.178 56 L CA -1.762 53.086 54.840 0.014 0.000 0.811 56 L CB 0.654 42.720 42.059 0.012 0.000 1.187 56 L HN -0.145 nan 8.230 nan 0.000 0.480 57 P HA -0.070 nan 4.420 nan 0.000 0.217 57 P C 1.230 178.544 177.300 0.022 0.000 1.150 57 P CA 1.433 64.546 63.100 0.021 0.000 0.832 57 P CB 0.242 31.954 31.700 0.019 0.000 0.787 58 L N -2.636 118.597 121.223 0.017 0.000 2.910 58 L HA 0.358 4.693 4.340 -0.009 0.000 0.252 58 L C 1.952 178.829 176.870 0.012 0.000 1.195 58 L CA -0.232 54.617 54.840 0.015 0.000 1.003 58 L CB -0.554 41.510 42.059 0.009 0.000 1.328 58 L HN -0.145 nan 8.230 nan 0.000 0.540 59 A N 1.451 124.280 122.820 0.015 0.000 1.863 59 A HA -0.252 4.063 4.320 -0.009 0.000 0.218 59 A C 2.235 179.827 177.584 0.014 0.000 1.233 59 A CA 2.411 54.456 52.037 0.014 0.000 0.655 59 A CB -1.298 17.711 19.000 0.016 0.000 0.839 59 A HN 0.454 nan 8.150 nan 0.000 0.454 60 G N -1.322 107.490 108.800 0.021 0.000 2.625 60 G HA2 0.242 4.197 3.960 -0.009 0.000 0.214 60 G HA3 0.242 4.197 3.960 -0.009 0.000 0.214 60 G C 0.496 175.409 174.900 0.021 0.000 1.132 60 G CA 0.119 45.236 45.100 0.028 0.000 0.782 60 G HN 0.295 nan 8.290 nan 0.000 0.538 61 L N 0.429 121.654 121.223 0.004 0.000 2.395 61 L HA 0.513 4.847 4.340 -0.009 0.000 0.269 61 L C 0.053 176.891 176.870 -0.053 0.000 1.133 61 L CA -0.371 54.453 54.840 -0.027 0.000 0.812 61 L CB 1.225 43.274 42.059 -0.017 0.000 1.125 61 L HN -0.133 nan 8.230 nan 0.000 0.452 62 V N 3.644 123.487 119.914 -0.119 0.000 2.656 62 V HA 0.632 4.746 4.120 -0.009 0.000 0.307 62 V C -0.559 175.464 176.094 -0.119 0.000 1.051 62 V CA -0.499 61.731 62.300 -0.118 0.000 0.893 62 V CB 2.590 34.325 31.823 -0.145 0.000 0.999 62 V HN 0.477 nan 8.190 nan 0.000 0.426 63 V N 5.086 124.970 119.914 -0.050 0.000 2.628 63 V HA 0.811 4.925 4.120 -0.009 0.000 0.306 63 V C 0.292 176.415 176.094 0.047 0.000 1.045 63 V CA -0.490 61.802 62.300 -0.014 0.000 0.905 63 V CB 1.667 33.488 31.823 -0.004 0.000 0.997 63 V HN 1.072 nan 8.190 nan 0.000 0.436 64 A N 4.056 126.924 122.820 0.080 0.000 2.252 64 A HA 0.748 5.062 4.320 -0.009 0.000 0.309 64 A C -0.514 177.101 177.584 0.053 0.000 1.285 64 A CA -0.404 51.724 52.037 0.153 0.000 0.900 64 A CB 0.630 19.722 19.000 0.154 0.000 1.157 64 A HN 0.691 nan 8.150 nan 0.000 0.536 65 V N 3.441 123.392 119.914 0.062 0.000 2.472 65 V HA 0.258 4.373 4.120 -0.009 0.000 0.290 65 V C 0.633 176.733 176.094 0.009 0.000 1.037 65 V CA -0.839 61.478 62.300 0.028 0.000 0.908 65 V CB 1.573 33.415 31.823 0.031 0.000 0.985 65 V HN 0.961 nan 8.190 nan 0.000 0.454 66 K N 2.273 122.673 120.400 0.001 0.000 2.489 66 K HA -0.017 4.297 4.320 -0.009 0.000 0.278 66 K C 0.455 177.064 176.600 0.015 0.000 1.000 66 K CA -0.091 56.196 56.287 0.000 0.000 1.012 66 K CB 0.352 32.861 32.500 0.015 0.000 0.903 66 K HN 0.716 nan 8.250 nan 0.000 0.485 67 D N 2.182 122.589 120.400 0.011 0.000 2.332 67 D HA -0.057 4.578 4.640 -0.009 0.000 0.244 67 D C 0.310 176.629 176.300 0.032 0.000 1.136 67 D CA 0.304 54.315 54.000 0.019 0.000 0.884 67 D CB -0.067 40.736 40.800 0.006 0.000 0.906 67 D HN 0.545 nan 8.370 nan 0.000 0.520 68 N N -0.001 118.725 118.700 0.043 0.000 2.204 68 N HA 0.040 4.774 4.740 -0.009 0.000 0.219 68 N C -0.149 175.408 175.510 0.079 0.000 1.151 68 N CA -0.197 52.894 53.050 0.069 0.000 0.867 68 N CB 0.107 38.650 38.487 0.092 0.000 1.043 68 N HN 0.117 nan 8.380 nan 0.000 0.516 69 I N 1.149 121.751 120.570 0.054 0.000 2.362 69 I HA 0.419 4.583 4.170 -0.009 0.000 0.289 69 I C 0.139 176.262 176.117 0.010 0.000 0.994 69 I CA -1.220 60.104 61.300 0.041 0.000 1.158 69 I CB 1.750 39.771 38.000 0.035 0.000 1.315 69 I HN 0.006 nan 8.210 nan 0.000 0.451 70 A N 4.643 127.447 122.820 -0.027 0.000 2.520 70 A HA 0.412 4.726 4.320 -0.009 0.000 0.245 70 A C 0.349 177.838 177.584 -0.157 0.000 1.072 70 A CA 0.173 52.120 52.037 -0.150 0.000 0.761 70 A CB -0.252 18.493 19.000 -0.425 0.000 1.004 70 A HN 0.748 nan 8.150 nan 0.000 0.499 71 T N 0.798 115.259 114.554 -0.154 0.000 2.906 71 T HA 0.487 4.832 4.350 -0.009 0.000 0.302 71 T C -0.283 174.325 174.700 -0.153 0.000 1.002 71 T CA -0.735 61.293 62.100 -0.120 0.000 0.988 71 T CB 0.761 69.593 68.868 -0.060 0.000 0.972 71 T HN 0.804 nan 8.240 nan 0.000 0.447 72 R N 2.270 122.680 120.500 -0.150 0.000 2.480 72 R HA 0.380 4.714 4.340 -0.009 0.000 0.303 72 R C 1.509 177.750 176.300 -0.098 0.000 0.985 72 R CA 1.877 57.898 56.100 -0.132 0.000 1.051 72 R CB -0.682 29.578 30.300 -0.067 0.000 0.935 72 R HN 1.278 nan 8.270 nan 0.000 0.410 73 G N 3.177 111.907 108.800 -0.116 0.000 2.176 73 G HA2 -0.269 3.685 3.960 -0.009 0.000 0.253 73 G HA3 -0.269 3.685 3.960 -0.009 0.000 0.253 73 G C -0.236 174.611 174.900 -0.088 0.000 0.979 73 G CA 0.123 45.169 45.100 -0.089 0.000 0.641 73 G HN 0.525 nan 8.290 nan 0.000 0.530 74 L N 0.096 121.258 121.223 -0.102 0.000 2.362 74 L HA 0.647 4.981 4.340 -0.009 0.000 0.271 74 L C 0.828 177.641 176.870 -0.094 0.000 1.002 74 L CA -1.283 53.509 54.840 -0.079 0.000 0.818 74 L CB 1.609 43.637 42.059 -0.052 0.000 1.298 74 L HN 0.208 nan 8.230 nan 0.000 0.420 75 R N 1.757 122.215 120.500 -0.070 0.000 2.446 75 R HA 0.086 4.420 4.340 -0.009 0.000 0.325 75 R C -0.967 175.323 176.300 -0.016 0.000 0.997 75 R CA 0.322 56.390 56.100 -0.055 0.000 1.010 75 R CB 0.184 30.457 30.300 -0.045 0.000 0.946 75 R HN 0.521 nan 8.270 nan 0.000 0.422 76 T N 4.158 118.734 114.554 0.036 0.000 3.042 76 T HA 0.066 4.411 4.350 -0.009 0.000 0.356 76 T C 1.151 175.972 174.700 0.202 0.000 1.233 76 T CA -0.407 61.760 62.100 0.112 0.000 1.038 76 T CB 1.260 70.214 68.868 0.142 0.000 1.089 76 T HN 0.747 nan 8.240 nan 0.000 0.531 77 T N -0.287 114.333 114.554 0.109 0.000 3.054 77 T HA 0.311 4.656 4.350 -0.009 0.000 0.259 77 T C 1.749 176.444 174.700 -0.009 0.000 1.092 77 T CA 0.530 62.702 62.100 0.121 0.000 1.121 77 T CB -0.240 68.746 68.868 0.197 0.000 0.912 77 T HN 0.857 nan 8.240 nan 0.000 0.489 78 A N 0.700 123.501 122.820 -0.032 0.000 2.847 78 A HA 0.105 4.419 4.320 -0.009 0.000 0.263 78 A C 1.818 179.248 177.584 -0.256 0.000 1.391 78 A CA 1.201 53.137 52.037 -0.168 0.000 0.866 78 A CB -2.462 16.335 19.000 -0.338 0.000 1.057 78 A HN 2.190 nan 8.150 nan 0.000 0.673 79 G N -2.250 106.537 108.800 -0.021 0.000 2.203 79 G HA2 0.022 3.976 3.960 -0.009 0.000 0.263 79 G HA3 0.022 3.976 3.960 -0.009 0.000 0.263 79 G C 0.316 175.016 174.900 -0.333 0.000 1.012 79 G CA 1.408 46.521 45.100 0.022 0.000 0.749 79 G HN 2.320 nan 8.290 nan 0.000 0.512 80 S N -1.768 113.710 115.700 -0.370 0.000 2.607 80 S HA 0.675 5.140 4.470 -0.009 0.000 0.303 80 S C 1.579 175.998 174.600 -0.302 0.000 1.086 80 S CA -0.422 57.506 58.200 -0.452 0.000 0.995 80 S CB 1.115 63.892 63.200 -0.704 0.000 1.084 80 S HN 0.298 nan 8.310 nan 0.000 0.507 81 R N 1.548 121.901 120.500 -0.246 0.000 2.115 81 R HA 0.046 4.381 4.340 -0.009 0.000 0.226 81 R C 1.642 177.921 176.300 -0.034 0.000 1.100 81 R CA 0.716 56.742 56.100 -0.123 0.000 0.980 81 R CB -0.375 29.860 30.300 -0.110 0.000 0.875 81 R HN 0.543 nan 8.270 nan 0.000 0.445 82 L N 0.577 121.770 121.223 -0.050 0.000 2.189 82 L HA -0.151 4.183 4.340 -0.009 0.000 0.214 82 L C 1.616 178.518 176.870 0.055 0.000 1.097 82 L CA 1.718 56.550 54.840 -0.012 0.000 0.764 82 L CB -0.493 41.566 42.059 -0.001 0.000 0.900 82 L HN 0.264 nan 8.230 nan 0.000 0.436 83 L N -0.913 120.334 121.223 0.040 0.000 3.267 83 L HA 0.096 4.431 4.340 -0.009 0.000 0.289 83 L C 1.612 178.603 176.870 0.202 0.000 1.260 83 L CA -0.142 54.779 54.840 0.134 0.000 1.034 83 L CB 0.221 42.308 42.059 0.046 0.000 1.413 83 L HN 0.193 nan 8.230 nan 0.000 0.594 84 E N -0.920 119.396 120.200 0.194 0.000 2.515 84 E HA -0.083 4.262 4.350 -0.009 0.000 0.201 84 E C 0.501 177.196 176.600 0.159 0.000 1.071 84 E CA 0.620 57.170 56.400 0.250 0.000 0.880 84 E CB 0.038 29.942 29.700 0.340 0.000 0.828 84 E HN 0.394 nan 8.360 nan 0.000 0.540 85 N N -0.020 118.783 118.700 0.172 0.000 2.167 85 N HA 0.077 4.811 4.740 -0.009 0.000 0.234 85 N C -1.118 174.491 175.510 0.165 0.000 1.312 85 N CA -0.304 52.825 53.050 0.131 0.000 0.861 85 N CB 0.452 39.006 38.487 0.112 0.000 1.217 85 N HN 0.108 nan 8.380 nan 0.000 0.504 86 F N 2.890 122.883 119.950 0.072 0.000 2.467 86 F HA 0.316 4.837 4.527 -0.010 0.000 0.362 86 F C 0.132 175.954 175.800 0.036 0.000 1.090 86 F CA -0.659 57.388 58.000 0.078 0.000 1.202 86 F CB 0.801 39.868 39.000 0.111 0.000 1.113 86 F HN -0.217 nan 8.300 nan 0.000 0.541 87 V N 7.903 127.368 119.914 -0.749 0.000 2.447 87 V HA 0.571 4.685 4.120 -0.009 0.000 0.292 87 V C -2.732 172.830 176.094 -0.887 0.000 1.021 87 V CA -2.348 59.546 62.300 -0.677 0.000 0.850 87 V CB 1.162 32.813 31.823 -0.286 0.000 1.005 87 V HN 0.689 nan 8.190 nan 0.000 0.426 88 P HA 0.275 nan 4.420 nan 0.000 0.265 88 P C -2.326 174.822 177.300 -0.253 0.000 1.193 88 P CA -1.113 61.666 63.100 -0.535 0.000 0.765 88 P CB 0.340 31.775 31.700 -0.442 0.000 0.823 89 P HA 0.066 nan 4.420 nan 0.000 0.261 89 P C -0.741 176.659 177.300 0.167 0.000 1.352 89 P CA 0.342 63.473 63.100 0.051 0.000 0.891 89 P CB -0.115 31.643 31.700 0.096 0.000 1.383 90 Y N -2.450 117.860 120.300 0.017 0.000 2.644 90 Y HA 0.769 5.313 4.550 -0.010 0.000 0.338 90 Y C -1.131 174.811 175.900 0.070 0.000 1.119 90 Y CA -1.687 56.454 58.100 0.069 0.000 1.060 90 Y CB 1.009 39.547 38.460 0.129 0.000 1.294 90 Y HN -0.306 nan 8.280 nan 0.000 0.472 91 E N 1.360 121.603 120.200 0.072 0.000 2.238 91 E HA 0.701 5.046 4.350 -0.009 0.000 0.267 91 E C -1.058 175.636 176.600 0.157 0.000 0.887 91 E CA -1.277 55.102 56.400 -0.036 0.000 0.769 91 E CB 1.956 31.671 29.700 0.024 0.000 1.187 91 E HN 0.978 nan 8.360 nan 0.000 0.416 92 A N 2.765 125.621 122.820 0.060 0.000 2.520 92 A HA 0.051 4.365 4.320 -0.009 0.000 0.245 92 A C 1.134 178.843 177.584 0.209 0.000 1.072 92 A CA 0.266 52.422 52.037 0.197 0.000 0.761 92 A CB 0.209 19.265 19.000 0.093 0.000 1.004 92 A HN 0.856 nan 8.150 nan 0.000 0.499 93 T N 2.891 117.619 114.554 0.290 0.000 2.653 93 T HA -0.244 4.100 4.350 -0.009 0.000 0.268 93 T C 2.241 177.000 174.700 0.098 0.000 1.035 93 T CA 2.330 64.531 62.100 0.168 0.000 1.154 93 T CB -0.404 68.549 68.868 0.141 0.000 0.862 93 T HN 0.944 nan 8.240 nan 0.000 0.441 94 A N 0.911 123.786 122.820 0.091 0.000 1.865 94 A HA -0.088 4.227 4.320 -0.009 0.000 0.217 94 A C 2.634 180.242 177.584 0.040 0.000 1.191 94 A CA 1.756 53.824 52.037 0.051 0.000 0.623 94 A CB -1.116 17.909 19.000 0.042 0.000 0.826 94 A HN 0.365 nan 8.150 nan 0.000 0.444 95 V N -0.088 119.853 119.914 0.045 0.000 2.343 95 V HA -0.253 3.861 4.120 -0.009 0.000 0.247 95 V C 3.058 179.170 176.094 0.030 0.000 1.051 95 V CA 1.919 64.236 62.300 0.029 0.000 1.036 95 V CB -1.337 30.498 31.823 0.021 0.000 0.654 95 V HN 0.638 nan 8.190 nan 0.000 0.451 96 A N 0.026 122.873 122.820 0.046 0.000 1.908 96 A HA -0.269 4.045 4.320 -0.009 0.000 0.218 96 A C 2.389 179.990 177.584 0.029 0.000 1.181 96 A CA 2.102 54.164 52.037 0.042 0.000 0.627 96 A CB -0.511 18.526 19.000 0.061 0.000 0.818 96 A HN 0.527 nan 8.150 nan 0.000 0.445 97 R N -0.704 119.813 120.500 0.028 0.000 2.075 97 R HA 0.001 4.336 4.340 -0.009 0.000 0.232 97 R C 2.094 178.403 176.300 0.014 0.000 1.126 97 R CA 1.351 57.463 56.100 0.020 0.000 0.963 97 R CB -0.505 29.807 30.300 0.019 0.000 0.858 97 R HN 0.515 nan 8.270 nan 0.000 0.435 98 L N 0.776 122.006 121.223 0.012 0.000 2.079 98 L HA -0.215 4.119 4.340 -0.009 0.000 0.210 98 L C 2.453 179.327 176.870 0.007 0.000 1.081 98 L CA 1.474 56.318 54.840 0.006 0.000 0.752 98 L CB -0.363 41.698 42.059 0.003 0.000 0.896 98 L HN 0.170 nan 8.230 nan 0.000 0.433 99 K N -0.080 120.326 120.400 0.009 0.000 2.097 99 K HA -0.111 4.204 4.320 -0.009 0.000 0.205 99 K C 2.020 178.625 176.600 0.009 0.000 1.050 99 K CA 1.231 57.523 56.287 0.008 0.000 0.938 99 K CB -0.108 32.397 32.500 0.009 0.000 0.718 99 K HN 0.279 nan 8.250 nan 0.000 0.442 100 A N 0.183 123.010 122.820 0.011 0.000 2.209 100 A HA -0.026 4.289 4.320 -0.009 0.000 0.212 100 A C 1.197 178.787 177.584 0.010 0.000 1.158 100 A CA 0.904 52.947 52.037 0.011 0.000 0.742 100 A CB 0.067 19.074 19.000 0.012 0.000 0.790 100 A HN 0.119 nan 8.150 nan 0.000 0.472 101 L N -1.473 119.756 121.223 0.010 0.000 2.910 101 L HA 0.394 4.728 4.340 -0.009 0.000 0.252 101 L C 1.490 178.366 176.870 0.009 0.000 1.195 101 L CA 0.927 55.773 54.840 0.010 0.000 1.003 101 L CB 0.226 42.291 42.059 0.011 0.000 1.328 101 L HN 0.478 nan 8.230 nan 0.000 0.540 102 G N -1.108 107.696 108.800 0.008 0.000 2.213 102 G HA2 -0.222 3.732 3.960 -0.009 0.000 0.236 102 G HA3 -0.222 3.732 3.960 -0.009 0.000 0.236 102 G C 0.643 175.546 174.900 0.004 0.000 0.991 102 G CA -0.002 45.103 45.100 0.007 0.000 0.629 102 G HN 0.616 nan 8.290 nan 0.000 0.517 103 A N 0.021 122.842 122.820 0.002 0.000 2.406 103 A HA 0.754 5.069 4.320 -0.009 0.000 0.243 103 A C 0.257 177.838 177.584 -0.005 0.000 1.082 103 A CA 0.593 52.628 52.037 -0.004 0.000 0.786 103 A CB 0.342 19.339 19.000 -0.005 0.000 1.029 103 A HN 1.093 nan 8.150 nan 0.000 0.495 104 L N 0.570 121.786 121.223 -0.012 0.000 2.393 104 L HA 0.438 4.772 4.340 -0.009 0.000 0.260 104 L C -0.870 175.992 176.870 -0.014 0.000 1.002 104 L CA -1.065 53.768 54.840 -0.012 0.000 0.818 104 L CB 2.149 44.201 42.059 -0.013 0.000 1.369 104 L HN 0.405 nan 8.230 nan 0.000 0.412 105 V N 2.683 122.592 119.914 -0.008 0.000 2.461 105 V HA 0.140 4.254 4.120 -0.009 0.000 0.275 105 V C 0.971 177.062 176.094 -0.005 0.000 1.047 105 V CA -0.089 62.213 62.300 0.003 0.000 0.955 105 V CB 1.538 33.367 31.823 0.010 0.000 0.988 105 V HN 0.677 nan 8.190 nan 0.000 0.471 106 L N 3.766 124.991 121.223 0.003 0.000 2.023 106 L HA 0.304 4.639 4.340 -0.009 0.000 0.205 106 L C 1.020 177.858 176.870 -0.054 0.000 1.073 106 L CA 1.836 56.649 54.840 -0.045 0.000 0.745 106 L CB 0.241 42.265 42.059 -0.059 0.000 0.900 106 L HN 0.837 nan 8.230 nan 0.000 0.435 107 G N -1.418 107.440 108.800 0.098 0.000 2.554 107 G HA2 0.286 4.241 3.960 -0.009 0.000 0.306 107 G HA3 0.286 4.241 3.960 -0.009 0.000 0.306 107 G C -1.810 173.271 174.900 0.302 0.000 1.320 107 G CA -0.681 44.522 45.100 0.172 0.000 0.800 107 G HN -0.238 nan 8.290 nan 0.000 0.481 108 K N 0.501 121.068 120.400 0.279 0.000 2.182 108 K HA 0.664 4.979 4.320 -0.009 0.000 0.262 108 K C -0.515 176.145 176.600 0.100 0.000 0.957 108 K CA -0.545 55.829 56.287 0.145 0.000 0.842 108 K CB 1.760 34.297 32.500 0.062 0.000 1.099 108 K HN 0.399 nan 8.250 nan 0.000 0.438 109 T N 1.949 116.485 114.554 -0.031 0.000 2.909 109 T HA 0.135 4.479 4.350 -0.009 0.000 0.286 109 T C 0.144 174.802 174.700 -0.070 0.000 1.002 109 T CA -0.420 61.585 62.100 -0.159 0.000 1.074 109 T CB 0.595 69.344 68.868 -0.198 0.000 0.984 109 T HN 0.398 nan 8.240 nan 0.000 0.495 110 N N 2.685 121.349 118.700 -0.061 0.000 2.492 110 N HA 0.386 5.120 4.740 -0.009 0.000 0.262 110 N C -0.771 174.743 175.510 0.007 0.000 1.202 110 N CA -0.094 52.950 53.050 -0.010 0.000 0.926 110 N CB -0.053 38.467 38.487 0.054 0.000 1.078 110 N HN 0.593 nan 8.380 nan 0.000 0.454 111 L N -1.002 120.233 121.223 0.020 0.000 2.409 111 L HA 0.692 5.026 4.340 -0.009 0.000 0.255 111 L C -0.886 176.005 176.870 0.034 0.000 1.027 111 L CA -1.228 53.631 54.840 0.032 0.000 0.834 111 L CB 1.397 43.473 42.059 0.028 0.000 1.426 111 L HN 0.234 nan 8.230 nan 0.000 0.411 112 D N 1.111 121.545 120.400 0.058 0.000 2.443 112 D HA 0.055 4.690 4.640 -0.009 0.000 0.239 112 D C -0.229 176.077 176.300 0.011 0.000 1.136 112 D CA 0.277 54.321 54.000 0.074 0.000 0.879 112 D CB 0.709 41.588 40.800 0.132 0.000 1.195 112 D HN 0.636 nan 8.370 nan 0.000 0.443 113 E N 2.161 122.345 120.200 -0.027 0.000 2.729 113 E HA -0.145 4.199 4.350 -0.009 0.000 0.246 113 E C -0.298 176.272 176.600 -0.051 0.000 0.984 113 E CA -0.002 56.320 56.400 -0.131 0.000 0.951 113 E CB -0.101 29.532 29.700 -0.112 0.000 0.914 113 E HN 0.446 nan 8.360 nan 0.000 0.509 114 F N 2.986 122.881 119.950 -0.091 0.000 3.006 114 F HA -0.293 4.228 4.527 -0.010 0.000 0.289 114 F C 1.284 177.037 175.800 -0.079 0.000 0.772 114 F CA 1.330 59.269 58.000 -0.102 0.000 1.162 114 F CB -1.781 37.100 39.000 -0.198 0.000 1.382 114 F HN 0.803 nan 8.300 nan 0.000 0.406 115 G N -0.553 108.301 108.800 0.090 0.000 2.205 115 G HA2 -0.341 3.613 3.960 -0.009 0.000 0.261 115 G HA3 -0.341 3.613 3.960 -0.009 0.000 0.261 115 G C 0.369 175.298 174.900 0.048 0.000 0.980 115 G CA 0.199 45.371 45.100 0.120 0.000 0.632 115 G HN 0.659 nan 8.290 nan 0.000 0.533 116 M N 0.247 119.765 119.600 -0.137 0.000 2.319 116 M HA 0.595 5.069 4.480 -0.009 0.000 0.343 116 M C 0.479 176.784 176.300 0.008 0.000 1.364 116 M CA 0.448 55.629 55.300 -0.198 0.000 1.292 116 M CB 0.254 32.573 32.600 -0.467 0.000 1.432 116 M HN 1.189 nan 8.290 nan 0.000 0.448 117 G N 1.282 110.159 108.800 0.129 0.000 2.325 117 G HA2 0.351 4.305 3.960 -0.009 0.000 0.297 117 G HA3 0.351 4.305 3.960 -0.009 0.000 0.297 117 G C -0.929 174.103 174.900 0.219 0.000 1.448 117 G CA -0.732 44.518 45.100 0.250 0.000 0.838 117 G HN 0.453 nan 8.290 nan 0.000 0.579 118 S N -0.611 115.241 115.700 0.252 0.000 3.021 118 S HA 0.421 4.885 4.470 -0.009 0.000 0.252 118 S C 0.940 175.676 174.600 0.227 0.000 0.996 118 S CA 0.464 58.788 58.200 0.207 0.000 1.084 118 S CB 0.383 63.728 63.200 0.242 0.000 1.021 118 S HN 1.785 nan 8.310 nan 0.000 0.566 119 S N -0.891 114.918 115.700 0.182 0.000 2.506 119 S HA 0.127 4.592 4.470 -0.009 0.000 0.255 119 S C 0.614 175.263 174.600 0.081 0.000 0.976 119 S CA 0.502 58.770 58.200 0.113 0.000 1.493 119 S CB -0.088 63.228 63.200 0.194 0.000 1.241 119 S HN 0.149 nan 8.310 nan 0.000 0.655 120 T N 1.911 116.531 114.554 0.109 0.000 6.974 120 T HA -0.196 4.149 4.350 -0.009 0.000 0.287 120 T C 0.626 175.395 174.700 0.115 0.000 2.146 120 T CA 1.703 63.874 62.100 0.117 0.000 3.451 120 T CB -1.922 67.025 68.868 0.132 0.000 1.630 120 T HN 0.693 nan 8.240 nan 0.000 1.173 121 E N -0.178 120.060 120.200 0.063 0.000 2.516 121 E HA -0.036 4.308 4.350 -0.009 0.000 0.199 121 E C 0.961 177.467 176.600 -0.156 0.000 1.069 121 E CA 0.646 57.037 56.400 -0.014 0.000 0.876 121 E CB -0.089 29.579 29.700 -0.054 0.000 0.843 121 E HN 0.694 nan 8.360 nan 0.000 0.530 122 H N -0.803 118.318 119.070 0.084 0.000 2.475 122 H HA 0.165 4.715 4.556 -0.010 0.000 0.276 122 H C -0.167 175.147 175.328 -0.024 0.000 1.126 122 H CA -0.393 55.675 56.048 0.033 0.000 1.023 122 H CB 0.854 30.640 29.762 0.040 0.000 1.669 122 H HN -0.121 nan 8.280 nan 0.000 0.573 123 S N 0.620 116.353 115.700 0.055 0.000 2.499 123 S HA 0.308 4.773 4.470 -0.009 0.000 0.275 123 S C 1.573 176.065 174.600 -0.180 0.000 1.257 123 S CA -0.196 57.970 58.200 -0.057 0.000 1.050 123 S CB 0.836 64.020 63.200 -0.028 0.000 0.937 123 S HN 0.516 nan 8.310 nan 0.000 0.490 124 A N 4.713 127.275 122.820 -0.430 0.000 2.131 124 A HA 0.069 4.384 4.320 -0.009 0.000 0.220 124 A C 1.025 178.243 177.584 -0.611 0.000 1.158 124 A CA 1.322 53.009 52.037 -0.584 0.000 0.665 124 A CB -0.560 17.940 19.000 -0.834 0.000 0.795 124 A HN 0.843 nan 8.150 nan 0.000 0.460 125 F N -1.465 118.375 119.950 -0.184 0.000 2.387 125 F HA 0.428 4.949 4.527 -0.010 0.000 0.278 125 F C 0.489 176.226 175.800 -0.105 0.000 1.010 125 F CA 0.025 57.877 58.000 -0.246 0.000 1.236 125 F CB -0.121 38.535 39.000 -0.574 0.000 1.137 125 F HN 0.234 nan 8.300 nan 0.000 0.604 126 F N -3.179 116.901 119.950 0.217 0.000 2.744 126 F HA 0.669 5.191 4.527 -0.009 0.000 0.311 126 F C -3.517 172.345 175.800 0.103 0.000 1.144 126 F CA -3.435 54.635 58.000 0.116 0.000 0.938 126 F CB 0.006 39.064 39.000 0.097 0.000 1.292 126 F HN -0.327 nan 8.300 nan 0.000 0.444 127 P HA 0.404 nan 4.420 nan 0.000 0.274 127 P C -0.800 176.708 177.300 0.347 0.000 1.246 127 P CA -0.105 63.166 63.100 0.285 0.000 0.795 127 P CB 1.028 32.824 31.700 0.160 0.000 1.006 128 T N 1.005 115.752 114.554 0.322 0.000 2.855 128 T HA 0.393 4.738 4.350 -0.009 0.000 0.281 128 T C -0.249 174.641 174.700 0.318 0.000 1.007 128 T CA -0.809 61.455 62.100 0.272 0.000 1.009 128 T CB 1.018 70.007 68.868 0.202 0.000 0.983 128 T HN 0.193 nan 8.240 nan 0.000 0.455 129 K N 2.331 122.876 120.400 0.241 0.000 2.138 129 K HA 0.348 4.662 4.320 -0.009 0.000 0.263 129 K C -0.066 176.638 176.600 0.173 0.000 0.965 129 K CA -0.930 55.520 56.287 0.272 0.000 0.868 129 K CB 0.968 33.577 32.500 0.181 0.000 1.083 129 K HN 0.377 nan 8.250 nan 0.000 0.443 130 N N 3.081 121.873 118.700 0.153 0.000 2.442 130 N HA 0.078 4.813 4.740 -0.009 0.000 0.265 130 N C -2.039 173.546 175.510 0.125 0.000 1.138 130 N CA -1.890 51.239 53.050 0.131 0.000 0.956 130 N CB 1.155 39.695 38.487 0.088 0.000 1.067 130 N HN 0.237 nan 8.380 nan 0.000 0.474 131 P HA -0.067 nan 4.420 nan 0.000 0.219 131 P C 0.723 177.947 177.300 -0.127 0.000 1.146 131 P CA 1.210 64.278 63.100 -0.055 0.000 0.808 131 P CB 0.049 31.659 31.700 -0.150 0.000 0.779 132 F N -1.363 118.627 119.950 0.067 0.000 2.367 132 F HA 0.068 4.589 4.527 -0.009 0.000 0.298 132 F C 0.799 176.635 175.800 0.060 0.000 1.094 132 F CA 0.861 58.906 58.000 0.075 0.000 1.409 132 F CB 0.101 39.178 39.000 0.129 0.000 1.064 132 F HN -0.146 nan 8.300 nan 0.000 0.528 133 D N -1.337 119.190 120.400 0.213 0.000 2.452 133 D HA 0.201 4.836 4.640 -0.009 0.000 0.226 133 D C -2.411 173.958 176.300 0.116 0.000 1.366 133 D CA -1.851 52.230 54.000 0.135 0.000 0.986 133 D CB 1.649 42.546 40.800 0.162 0.000 1.420 133 D HN -0.231 nan 8.370 nan 0.000 0.583 134 P HA 0.019 nan 4.420 nan 0.000 0.231 134 P C 0.256 177.682 177.300 0.210 0.000 1.158 134 P CA 0.677 63.855 63.100 0.129 0.000 0.763 134 P CB 0.403 32.141 31.700 0.063 0.000 0.805 135 D N -1.321 119.188 120.400 0.182 0.000 2.349 135 D HA 0.118 4.752 4.640 -0.009 0.000 0.214 135 D C 0.656 177.084 176.300 0.213 0.000 1.063 135 D CA 0.355 54.494 54.000 0.232 0.000 0.847 135 D CB 0.455 41.334 40.800 0.132 0.000 0.933 135 D HN 0.216 nan 8.370 nan 0.000 0.513 136 R N 0.058 120.584 120.500 0.044 0.000 2.795 136 R HA 0.445 4.780 4.340 -0.009 0.000 0.275 136 R C -0.343 175.582 176.300 -0.625 0.000 0.981 136 R CA -0.945 54.956 56.100 -0.331 0.000 0.917 136 R CB 2.687 32.843 30.300 -0.239 0.000 1.202 136 R HN -0.148 nan 8.270 nan 0.000 0.469 137 V N -0.115 119.201 119.914 -0.997 0.000 3.051 137 V HA 0.289 4.403 4.120 -0.009 0.000 0.306 137 V C -1.970 173.923 176.094 -0.334 0.000 1.083 137 V CA -1.075 60.719 62.300 -0.842 0.000 1.104 137 V CB 0.898 32.168 31.823 -0.921 0.000 1.027 137 V HN 0.785 nan 8.190 nan 0.000 0.483 138 P HA 0.307 nan 4.420 nan 0.000 0.261 138 P C 0.702 178.115 177.300 0.188 0.000 1.352 138 P CA 0.951 64.110 63.100 0.098 0.000 0.891 138 P CB 0.007 31.764 31.700 0.095 0.000 1.383 139 G N -0.674 108.257 108.800 0.217 0.000 2.782 139 G HA2 0.182 4.136 3.960 -0.009 0.000 0.228 139 G HA3 0.182 4.136 3.960 -0.009 0.000 0.228 139 G C -0.314 174.596 174.900 0.017 0.000 1.372 139 G CA -0.623 44.512 45.100 0.059 0.000 0.862 139 G HN 0.597 nan 8.290 nan 0.000 0.547 140 G N -2.464 106.330 108.800 -0.011 0.000 2.649 140 G HA2 0.766 4.721 3.960 -0.009 0.000 0.290 140 G HA3 0.766 4.721 3.960 -0.009 0.000 0.290 140 G C 0.702 175.619 174.900 0.028 0.000 1.426 140 G CA 0.761 45.883 45.100 0.036 0.000 0.794 140 G HN 2.053 nan 8.290 nan 0.000 0.483 141 S N -1.260 114.475 115.700 0.059 0.000 2.548 141 S HA 0.095 4.560 4.470 -0.009 0.000 0.215 141 S C 1.325 175.956 174.600 0.052 0.000 0.976 141 S CA 0.790 59.035 58.200 0.074 0.000 0.908 141 S CB 0.336 63.594 63.200 0.096 0.000 0.781 141 S HN 0.358 nan 8.310 nan 0.000 0.519 142 S N 1.750 117.471 115.700 0.034 0.000 2.859 142 S HA 0.297 4.761 4.470 -0.009 0.000 0.245 142 S C 1.749 176.357 174.600 0.014 0.000 1.008 142 S CA 0.135 58.348 58.200 0.021 0.000 1.089 142 S CB -0.380 62.829 63.200 0.016 0.000 0.798 142 S HN 0.716 nan 8.310 nan 0.000 0.477 143 G N 2.202 111.019 108.800 0.027 0.000 2.469 143 G HA2 -0.189 3.765 3.960 -0.009 0.000 0.220 143 G HA3 -0.189 3.765 3.960 -0.009 0.000 0.220 143 G C 1.382 176.299 174.900 0.029 0.000 1.136 143 G CA 0.856 45.980 45.100 0.040 0.000 0.759 143 G HN 0.583 nan 8.290 nan 0.000 0.562 144 G N 0.469 109.271 108.800 0.003 0.000 2.421 144 G HA2 -0.138 3.816 3.960 -0.009 0.000 0.216 144 G HA3 -0.138 3.816 3.960 -0.009 0.000 0.216 144 G C 2.141 176.970 174.900 -0.119 0.000 1.171 144 G CA 1.404 46.470 45.100 -0.056 0.000 0.775 144 G HN 0.421 nan 8.290 nan 0.000 0.543 145 S N 1.049 116.692 115.700 -0.094 0.000 2.359 145 S HA -0.053 4.411 4.470 -0.009 0.000 0.224 145 S C 2.808 177.390 174.600 -0.030 0.000 1.035 145 S CA 1.337 59.485 58.200 -0.087 0.000 1.018 145 S CB -0.470 62.705 63.200 -0.041 0.000 0.876 145 S HN 0.604 nan 8.310 nan 0.000 0.448 146 A N 1.827 124.652 122.820 0.007 0.000 1.851 146 A HA 0.015 4.330 4.320 -0.009 0.000 0.216 146 A C 2.416 180.040 177.584 0.067 0.000 1.195 146 A CA 1.963 54.030 52.037 0.050 0.000 0.622 146 A CB -1.395 17.642 19.000 0.062 0.000 0.831 146 A HN 0.543 nan 8.150 nan 0.000 0.444 147 A N -0.277 122.577 122.820 0.057 0.000 1.948 147 A HA 0.033 4.348 4.320 -0.009 0.000 0.220 147 A C 2.498 180.111 177.584 0.049 0.000 1.177 147 A CA 2.554 54.632 52.037 0.068 0.000 0.636 147 A CB -1.067 17.970 19.000 0.062 0.000 0.815 147 A HN 1.191 nan 8.150 nan 0.000 0.449 148 A N -0.485 122.332 122.820 -0.004 0.000 1.902 148 A HA -0.000 4.314 4.320 -0.009 0.000 0.217 148 A C 2.189 179.829 177.584 0.093 0.000 1.181 148 A CA 1.466 53.516 52.037 0.021 0.000 0.623 148 A CB -0.548 18.365 19.000 -0.145 0.000 0.818 148 A HN 0.482 nan 8.150 nan 0.000 0.443 149 L N -0.764 120.506 121.223 0.077 0.000 1.994 149 L HA -0.171 4.163 4.340 -0.009 0.000 0.208 149 L C 3.045 179.987 176.870 0.119 0.000 1.071 149 L CA 1.148 56.051 54.840 0.105 0.000 0.745 149 L CB -0.566 41.554 42.059 0.101 0.000 0.892 149 L HN 0.406 nan 8.230 nan 0.000 0.431 150 A N -0.237 122.655 122.820 0.121 0.000 2.070 150 A HA -0.049 4.265 4.320 -0.009 0.000 0.220 150 A C 2.099 179.695 177.584 0.020 0.000 1.159 150 A CA 1.597 53.704 52.037 0.118 0.000 0.656 150 A CB -0.512 18.604 19.000 0.193 0.000 0.800 150 A HN 0.419 nan 8.150 nan 0.000 0.453 151 A N -1.234 121.612 122.820 0.044 0.000 2.423 151 A HA 0.402 4.716 4.320 -0.009 0.000 0.246 151 A C 0.592 178.225 177.584 0.082 0.000 1.278 151 A CA 0.730 52.784 52.037 0.028 0.000 0.903 151 A CB -0.293 18.732 19.000 0.041 0.000 0.997 151 A HN 0.437 nan 8.150 nan 0.000 0.510 152 D N -0.806 119.666 120.400 0.120 0.000 2.686 152 D HA -0.179 4.456 4.640 -0.009 0.000 0.235 152 D C 0.506 176.980 176.300 0.289 0.000 1.160 152 D CA 0.803 54.920 54.000 0.194 0.000 0.645 152 D CB -1.530 39.355 40.800 0.142 0.000 1.039 152 D HN 0.503 nan 8.370 nan 0.000 0.423 153 L N -1.465 119.923 121.223 0.275 0.000 2.492 153 L HA 0.347 4.681 4.340 -0.009 0.000 0.223 153 L C 1.234 178.318 176.870 0.357 0.000 1.132 153 L CA 0.876 55.928 54.840 0.353 0.000 0.850 153 L CB -0.162 42.145 42.059 0.412 0.000 0.966 153 L HN 0.343 nan 8.230 nan 0.000 0.454 154 A N -1.352 121.598 122.820 0.216 0.000 2.594 154 A HA 0.548 4.862 4.320 -0.009 0.000 0.296 154 A C -2.380 175.160 177.584 -0.072 0.000 1.061 154 A CA -0.770 51.216 52.037 -0.085 0.000 0.689 154 A CB 0.995 20.024 19.000 0.049 0.000 1.280 154 A HN -0.215 nan 8.150 nan 0.000 0.406 155 P HA 0.105 nan 4.420 nan 0.000 0.217 155 P C 0.074 177.367 177.300 -0.013 0.000 1.154 155 P CA 0.826 63.888 63.100 -0.064 0.000 0.841 155 P CB 0.210 31.841 31.700 -0.114 0.000 0.788 156 L N -1.482 119.717 121.223 -0.039 0.000 2.303 156 L HA 0.787 5.122 4.340 -0.009 0.000 0.266 156 L C -0.041 176.832 176.870 0.005 0.000 1.011 156 L CA -1.372 53.465 54.840 -0.004 0.000 0.818 156 L CB 0.831 42.882 42.059 -0.013 0.000 1.326 156 L HN -0.134 nan 8.230 nan 0.000 0.435 157 A N 1.415 124.243 122.820 0.014 0.000 2.566 157 A HA 0.759 5.073 4.320 -0.009 0.000 0.297 157 A C -1.670 175.919 177.584 0.008 0.000 1.059 157 A CA -0.425 51.620 52.037 0.012 0.000 0.691 157 A CB 1.474 20.482 19.000 0.014 0.000 1.282 157 A HN 0.547 nan 8.150 nan 0.000 0.401 158 L N 1.670 122.896 121.223 0.005 0.000 2.329 158 L HA 0.780 5.115 4.340 -0.009 0.000 0.279 158 L C 0.733 177.608 176.870 0.008 0.000 1.014 158 L CA -0.453 54.391 54.840 0.006 0.000 0.814 158 L CB 2.191 44.255 42.059 0.009 0.000 1.257 158 L HN 0.967 nan 8.230 nan 0.000 0.424 159 G N 0.544 109.351 108.800 0.013 0.000 3.105 159 G HA2 0.598 4.553 3.960 -0.009 0.000 0.277 159 G HA3 0.598 4.553 3.960 -0.009 0.000 0.277 159 G C -1.629 173.290 174.900 0.030 0.000 1.375 159 G CA -0.393 44.719 45.100 0.019 0.000 0.962 159 G HN 0.418 nan 8.290 nan 0.000 0.541 160 S N -0.573 115.151 115.700 0.041 0.000 2.571 160 S HA 0.534 4.999 4.470 -0.009 0.000 0.284 160 S C -2.098 172.538 174.600 0.059 0.000 1.128 160 S CA -0.718 57.517 58.200 0.057 0.000 0.970 160 S CB 1.943 65.192 63.200 0.082 0.000 1.039 160 S HN 0.518 nan 8.310 nan 0.000 0.485 161 D N 2.545 122.977 120.400 0.052 0.000 2.649 161 D HA 0.524 5.159 4.640 -0.009 0.000 0.249 161 D C -0.037 176.289 176.300 0.045 0.000 1.112 161 D CA -0.302 53.722 54.000 0.042 0.000 0.850 161 D CB 2.350 43.163 40.800 0.021 0.000 1.399 161 D HN 0.595 nan 8.370 nan 0.000 0.503 162 T N 0.957 115.539 114.554 0.047 0.000 3.048 162 T HA 0.239 4.583 4.350 -0.009 0.000 0.254 162 T C 0.978 175.713 174.700 0.058 0.000 0.942 162 T CA 0.088 62.208 62.100 0.033 0.000 0.931 162 T CB 1.071 69.921 68.868 -0.029 0.000 1.220 162 T HN 0.483 nan 8.240 nan 0.000 0.503 163 G N -0.005 108.775 108.800 -0.033 0.000 4.596 163 G HA2 0.482 4.436 3.960 -0.009 0.000 0.276 163 G HA3 0.482 4.436 3.960 -0.009 0.000 0.276 163 G C 0.745 175.508 174.900 -0.228 0.000 1.013 163 G CA 0.157 45.062 45.100 -0.324 0.000 0.778 163 G HN 0.716 nan 8.290 nan 0.000 0.389 164 G N 0.038 108.776 108.800 -0.105 0.000 2.164 164 G HA2 -0.187 3.768 3.960 -0.009 0.000 0.154 164 G HA3 -0.187 3.768 3.960 -0.009 0.000 0.154 164 G C 1.105 175.970 174.900 -0.057 0.000 1.014 164 G CA 0.468 45.516 45.100 -0.086 0.000 0.683 164 G HN 0.536 nan 8.290 nan 0.000 0.500 165 S N -0.497 115.195 115.700 -0.012 0.000 2.537 165 S HA 0.061 4.526 4.470 -0.009 0.000 0.240 165 S C 2.048 176.648 174.600 0.000 0.000 0.981 165 S CA 1.281 59.491 58.200 0.015 0.000 0.948 165 S CB 0.329 63.574 63.200 0.076 0.000 0.759 165 S HN 0.507 nan 8.310 nan 0.000 0.531 166 V N 0.401 120.309 119.914 -0.010 0.000 3.151 166 V HA 0.145 4.259 4.120 -0.009 0.000 0.241 166 V C 2.151 178.231 176.094 -0.023 0.000 1.173 166 V CA 0.525 62.821 62.300 -0.006 0.000 1.154 166 V CB -0.108 31.721 31.823 0.010 0.000 0.898 166 V HN 0.244 nan 8.190 nan 0.000 0.473 167 R N -0.128 120.348 120.500 -0.040 0.000 2.062 167 R HA -0.081 4.254 4.340 -0.009 0.000 0.226 167 R C 2.380 178.608 176.300 -0.120 0.000 1.125 167 R CA 1.219 57.287 56.100 -0.054 0.000 0.966 167 R CB -0.338 29.935 30.300 -0.044 0.000 0.861 167 R HN 0.383 nan 8.270 nan 0.000 0.433 168 Q N 0.713 120.406 119.800 -0.179 0.000 2.061 168 Q HA -0.113 4.221 4.340 -0.009 0.000 0.204 168 Q C -0.894 174.828 176.000 -0.462 0.000 0.984 168 Q CA 1.713 57.300 55.803 -0.360 0.000 0.846 168 Q CB -0.782 27.736 28.738 -0.367 0.000 0.902 168 Q HN 0.187 nan 8.270 nan 0.000 0.421 169 P HA -0.083 nan 4.420 nan 0.000 0.216 169 P C 0.922 178.200 177.300 -0.037 0.000 1.153 169 P CA 2.063 65.086 63.100 -0.129 0.000 0.848 169 P CB -0.356 31.316 31.700 -0.047 0.000 0.787 170 A N 0.071 122.867 122.820 -0.041 0.000 1.908 170 A HA -0.154 4.161 4.320 -0.009 0.000 0.218 170 A C 2.319 179.890 177.584 -0.022 0.000 1.181 170 A CA 2.249 54.283 52.037 -0.005 0.000 0.627 170 A CB -1.626 17.376 19.000 0.004 0.000 0.818 170 A HN 0.196 nan 8.150 nan 0.000 0.445 171 A N -0.838 121.943 122.820 -0.064 0.000 1.858 171 A HA -0.010 4.305 4.320 -0.009 0.000 0.216 171 A C 1.907 179.553 177.584 0.103 0.000 1.190 171 A CA 1.608 53.616 52.037 -0.048 0.000 0.617 171 A CB -0.789 18.162 19.000 -0.081 0.000 0.827 171 A HN 0.428 nan 8.150 nan 0.000 0.443 172 F N -0.200 119.706 119.950 -0.074 0.000 2.202 172 F HA -0.166 4.355 4.527 -0.009 0.000 0.301 172 F C 2.253 178.028 175.800 -0.042 0.000 1.082 172 F CA 0.264 58.223 58.000 -0.070 0.000 1.313 172 F CB -1.162 37.794 39.000 -0.074 0.000 1.024 172 F HN 0.247 nan 8.300 nan 0.000 0.495 173 C N -0.764 118.655 119.300 0.199 0.000 2.906 173 C HA 0.508 4.963 4.460 -0.009 0.000 0.274 173 C C 1.616 176.739 174.990 0.221 0.000 1.257 173 C CA 0.120 59.290 59.018 0.254 0.000 1.695 173 C CB -0.879 27.006 27.740 0.241 0.000 1.958 173 C HN 0.669 nan 8.230 nan 0.000 0.619 174 G N 1.846 110.652 108.800 0.009 0.000 2.314 174 G HA2 -0.108 3.846 3.960 -0.009 0.000 0.292 174 G HA3 -0.108 3.846 3.960 -0.009 0.000 0.292 174 G C -0.154 174.739 174.900 -0.011 0.000 1.059 174 G CA 0.709 45.761 45.100 -0.079 0.000 0.982 174 G HN 1.093 nan 8.290 nan 0.000 0.505 175 V N -3.986 115.901 119.914 -0.045 0.000 3.156 175 V HA 0.861 4.975 4.120 -0.009 0.000 0.310 175 V C -0.054 175.960 176.094 -0.134 0.000 1.234 175 V CA -2.540 59.721 62.300 -0.064 0.000 1.065 175 V CB 1.213 33.085 31.823 0.081 0.000 1.088 175 V HN 0.286 nan 8.190 nan 0.000 0.451 176 Y N 0.180 120.537 120.300 0.095 0.000 2.304 176 Y HA 0.730 5.274 4.550 -0.010 0.000 0.328 176 Y C 0.921 176.857 175.900 0.060 0.000 1.123 176 Y CA 0.548 58.702 58.100 0.091 0.000 1.218 176 Y CB 1.737 40.258 38.460 0.102 0.000 1.207 176 Y HN 1.018 nan 8.280 nan 0.000 0.495 177 G N 3.743 112.668 108.800 0.209 0.000 2.723 177 G HA2 0.497 4.452 3.960 -0.009 0.000 0.295 177 G HA3 0.497 4.452 3.960 -0.009 0.000 0.295 177 G C -2.263 172.700 174.900 0.105 0.000 1.464 177 G CA -0.555 44.616 45.100 0.117 0.000 1.012 177 G HN 0.478 nan 8.290 nan 0.000 0.522 178 L N 1.970 123.235 121.223 0.070 0.000 2.307 178 L HA 0.698 5.032 4.340 -0.009 0.000 0.284 178 L C -0.054 176.832 176.870 0.025 0.000 1.023 178 L CA -1.036 53.834 54.840 0.050 0.000 0.810 178 L CB 1.613 43.686 42.059 0.024 0.000 1.231 178 L HN 0.390 nan 8.230 nan 0.000 0.423 179 K N 6.832 127.248 120.400 0.027 0.000 2.281 179 K HA 0.534 4.848 4.320 -0.009 0.000 0.272 179 K C -2.741 173.868 176.600 0.014 0.000 1.048 179 K CA -1.708 54.588 56.287 0.015 0.000 0.898 179 K CB 1.406 33.911 32.500 0.009 0.000 1.128 179 K HN 0.395 nan 8.250 nan 0.000 0.460 180 P HA 0.076 nan 4.420 nan 0.000 0.275 180 P C -0.775 176.532 177.300 0.011 0.000 1.228 180 P CA -0.190 62.929 63.100 0.032 0.000 0.786 180 P CB 0.668 32.385 31.700 0.027 0.000 0.927 181 T N 2.206 116.764 114.554 0.006 0.000 2.867 181 T HA -0.178 4.167 4.350 -0.009 0.000 0.290 181 T C 0.083 174.793 174.700 0.016 0.000 1.025 181 T CA 0.684 62.757 62.100 -0.045 0.000 1.146 181 T CB -0.495 68.377 68.868 0.007 0.000 1.024 181 T HN 0.233 nan 8.240 nan 0.000 0.519 182 Y N 2.685 122.913 120.300 -0.119 0.000 2.770 182 Y HA 0.277 4.821 4.550 -0.010 0.000 0.342 182 Y C 1.263 177.205 175.900 0.070 0.000 1.221 182 Y CA 1.319 59.406 58.100 -0.022 0.000 1.560 182 Y CB -0.542 37.902 38.460 -0.028 0.000 1.213 182 Y HN 0.904 nan 8.280 nan 0.000 0.525 183 G N 4.869 113.462 108.800 -0.345 0.000 2.296 183 G HA2 -0.212 3.742 3.960 -0.009 0.000 0.188 183 G HA3 -0.212 3.742 3.960 -0.009 0.000 0.188 183 G C 1.342 176.195 174.900 -0.079 0.000 1.000 183 G CA 0.010 44.980 45.100 -0.218 0.000 0.672 183 G HN 0.494 nan 8.290 nan 0.000 0.483 184 R N 0.255 120.734 120.500 -0.035 0.000 2.057 184 R HA 0.193 4.528 4.340 -0.009 0.000 0.229 184 R C 1.241 177.547 176.300 0.010 0.000 1.136 184 R CA 1.444 57.560 56.100 0.027 0.000 0.952 184 R CB -0.660 29.689 30.300 0.081 0.000 0.848 184 R HN 0.415 nan 8.270 nan 0.000 0.430 185 V N 0.830 120.731 119.914 -0.022 0.000 2.532 185 V HA 0.189 4.304 4.120 -0.009 0.000 0.295 185 V C 0.549 176.626 176.094 -0.028 0.000 1.041 185 V CA -0.801 61.489 62.300 -0.016 0.000 0.926 185 V CB 1.804 33.617 31.823 -0.017 0.000 0.992 185 V HN 0.160 nan 8.190 nan 0.000 0.457 186 S N 2.692 118.397 115.700 0.009 0.000 2.572 186 S HA 0.199 4.664 4.470 -0.009 0.000 0.279 186 S C 1.026 175.660 174.600 0.057 0.000 1.341 186 S CA -0.134 58.089 58.200 0.037 0.000 1.043 186 S CB 0.344 63.593 63.200 0.081 0.000 0.887 186 S HN 0.709 nan 8.310 nan 0.000 0.516 187 R N 2.026 122.569 120.500 0.071 0.000 2.312 187 R HA 0.150 4.484 4.340 -0.009 0.000 0.205 187 R C -0.135 176.250 176.300 0.142 0.000 0.904 187 R CA -0.164 55.985 56.100 0.081 0.000 1.052 187 R CB 0.091 30.419 30.300 0.047 0.000 1.014 187 R HN 0.661 nan 8.270 nan 0.000 0.503 188 F N 1.379 121.364 119.950 0.057 0.000 2.557 188 F HA 0.125 4.646 4.527 -0.010 0.000 0.384 188 F C 1.195 177.095 175.800 0.165 0.000 1.057 188 F CA 1.457 59.514 58.000 0.096 0.000 1.169 188 F CB 0.585 39.628 39.000 0.071 0.000 1.070 188 F HN 0.318 nan 8.300 nan 0.000 0.554 189 G N 4.569 113.321 108.800 -0.081 0.000 2.184 189 G HA2 -0.242 3.712 3.960 -0.009 0.000 0.206 189 G HA3 -0.242 3.712 3.960 -0.009 0.000 0.206 189 G C -0.642 174.300 174.900 0.070 0.000 0.995 189 G CA -0.132 45.030 45.100 0.103 0.000 0.651 189 G HN 0.762 nan 8.290 nan 0.000 0.511 190 L N 2.516 123.778 121.223 0.064 0.000 2.255 190 L HA 0.647 4.981 4.340 -0.009 0.000 0.289 190 L C 0.763 177.693 176.870 0.101 0.000 1.046 190 L CA -0.919 53.970 54.840 0.082 0.000 0.816 190 L CB 0.447 42.555 42.059 0.081 0.000 1.197 190 L HN 0.176 nan 8.230 nan 0.000 0.427 191 I N 6.278 126.930 120.570 0.136 0.000 2.710 191 I HA 0.054 4.218 4.170 -0.009 0.000 0.307 191 I C 0.916 177.175 176.117 0.236 0.000 1.175 191 I CA 0.160 61.582 61.300 0.203 0.000 2.125 191 I CB -0.613 37.532 38.000 0.242 0.000 1.576 191 I HN 0.757 nan 8.210 nan 0.000 0.995 192 A N 4.401 127.330 122.820 0.183 0.000 2.271 192 A HA 0.381 4.695 4.320 -0.009 0.000 0.288 192 A C 0.319 178.029 177.584 0.209 0.000 1.094 192 A CA -0.332 51.809 52.037 0.173 0.000 0.828 192 A CB 0.470 19.529 19.000 0.099 0.000 1.091 192 A HN 0.704 nan 8.150 nan 0.000 0.493 193 Y N -1.182 119.157 120.300 0.064 0.000 2.526 193 Y HA 0.632 5.176 4.550 -0.009 0.000 0.265 193 Y C 0.597 176.484 175.900 -0.021 0.000 1.092 193 Y CA 0.321 58.424 58.100 0.005 0.000 1.277 193 Y CB 0.318 38.771 38.460 -0.011 0.000 1.228 193 Y HN 0.625 nan 8.280 nan 0.000 0.507 194 A N 0.768 123.241 122.820 -0.578 0.000 2.664 194 A HA 0.514 4.828 4.320 -0.009 0.000 0.338 194 A C 0.769 178.244 177.584 -0.181 0.000 1.280 194 A CA -0.167 51.609 52.037 -0.434 0.000 0.809 194 A CB 0.145 18.739 19.000 -0.677 0.000 1.114 194 A HN 0.367 nan 8.150 nan 0.000 0.479 195 S N 0.819 116.483 115.700 -0.060 0.000 2.392 195 S HA -0.169 4.295 4.470 -0.009 0.000 0.232 195 S C 2.001 176.658 174.600 0.095 0.000 1.041 195 S CA 2.337 60.561 58.200 0.041 0.000 1.026 195 S CB -0.009 63.225 63.200 0.057 0.000 0.845 195 S HN 0.751 nan 8.310 nan 0.000 0.465 196 S N 0.570 116.262 115.700 -0.013 0.000 2.522 196 S HA 0.238 4.702 4.470 -0.009 0.000 0.227 196 S C 1.301 175.732 174.600 -0.281 0.000 0.986 196 S CA 0.489 58.604 58.200 -0.141 0.000 0.929 196 S CB -0.026 63.097 63.200 -0.129 0.000 0.769 196 S HN 0.392 nan 8.310 nan 0.000 0.529 197 L N -0.015 121.150 121.223 -0.096 0.000 2.840 197 L HA 0.271 4.605 4.340 -0.009 0.000 0.249 197 L C -0.427 176.482 176.870 0.065 0.000 1.119 197 L CA -0.106 54.698 54.840 -0.060 0.000 0.930 197 L CB 0.120 42.132 42.059 -0.077 0.000 1.295 197 L HN 0.038 nan 8.230 nan 0.000 0.534 198 D N 1.982 122.437 120.400 0.092 0.000 2.372 198 D HA 0.302 4.936 4.640 -0.009 0.000 0.243 198 D C 0.027 176.417 176.300 0.149 0.000 1.121 198 D CA 0.594 54.646 54.000 0.086 0.000 0.898 198 D CB 1.145 41.976 40.800 0.051 0.000 1.202 198 D HN -0.040 nan 8.370 nan 0.000 0.428 199 Q N 0.988 120.840 119.800 0.085 0.000 2.378 199 Q HA 0.299 4.634 4.340 -0.009 0.000 0.262 199 Q C -0.586 175.435 176.000 0.035 0.000 0.978 199 Q CA -0.499 55.332 55.803 0.047 0.000 0.918 199 Q CB 2.233 31.003 28.738 0.052 0.000 1.415 199 Q HN 0.438 nan 8.270 nan 0.000 0.409 200 I N 1.448 122.031 120.570 0.022 0.000 2.556 200 I HA 0.310 4.474 4.170 -0.009 0.000 0.284 200 I C 0.864 176.984 176.117 0.006 0.000 1.114 200 I CA 0.318 61.631 61.300 0.021 0.000 1.418 200 I CB 0.873 38.887 38.000 0.022 0.000 1.394 200 I HN 0.556 nan 8.210 nan 0.000 0.552 201 G N 6.897 115.702 108.800 0.008 0.000 2.495 201 G HA2 0.667 4.622 3.960 -0.009 0.000 0.318 201 G HA3 0.667 4.622 3.960 -0.009 0.000 0.318 201 G C -3.017 171.879 174.900 -0.006 0.000 1.257 201 G CA -1.389 43.709 45.100 -0.002 0.000 0.962 201 G HN 0.261 nan 8.290 nan 0.000 0.483 202 P HA 0.435 nan 4.420 nan 0.000 0.276 202 P C -0.224 177.084 177.300 0.014 0.000 1.244 202 P CA -0.358 62.729 63.100 -0.023 0.000 0.801 202 P CB 1.147 32.804 31.700 -0.072 0.000 1.006 203 M N 0.079 119.698 119.600 0.031 0.000 2.421 203 M HA 0.888 5.363 4.480 -0.009 0.000 0.287 203 M C -1.445 174.908 176.300 0.088 0.000 1.183 203 M CA -0.888 54.456 55.300 0.074 0.000 0.916 203 M CB 2.526 35.165 32.600 0.066 0.000 1.701 203 M HN 0.367 nan 8.290 nan 0.000 0.470 204 A N 1.625 124.535 122.820 0.151 0.000 2.557 204 A HA 0.722 5.037 4.320 -0.009 0.000 0.292 204 A C -0.384 177.354 177.584 0.258 0.000 1.139 204 A CA -0.787 51.346 52.037 0.161 0.000 0.665 204 A CB 1.552 20.625 19.000 0.121 0.000 1.285 204 A HN 0.950 nan 8.150 nan 0.000 0.433 205 R N -0.086 120.554 120.500 0.234 0.000 2.300 205 R HA 0.186 4.520 4.340 -0.009 0.000 0.199 205 R C 0.326 176.859 176.300 0.387 0.000 0.920 205 R CA 1.067 57.328 56.100 0.270 0.000 1.046 205 R CB 0.219 30.630 30.300 0.185 0.000 0.984 205 R HN 0.774 nan 8.270 nan 0.000 0.493 206 S N -2.021 113.884 115.700 0.343 0.000 2.588 206 S HA 0.215 4.679 4.470 -0.009 0.000 0.275 206 S C 0.761 175.321 174.600 -0.065 0.000 1.130 206 S CA -0.988 57.359 58.200 0.244 0.000 0.855 206 S CB 2.086 65.413 63.200 0.212 0.000 1.116 206 S HN -0.185 nan 8.310 nan 0.000 0.472 207 V N 2.334 122.043 119.914 -0.341 0.000 2.515 207 V HA -0.101 4.014 4.120 -0.009 0.000 0.250 207 V C 2.699 178.701 176.094 -0.153 0.000 1.058 207 V CA 1.702 63.752 62.300 -0.416 0.000 1.064 207 V CB -1.036 30.529 31.823 -0.429 0.000 0.675 207 V HN 0.843 nan 8.190 nan 0.000 0.461 208 R N 0.249 120.707 120.500 -0.070 0.000 2.120 208 R HA -0.145 4.190 4.340 -0.009 0.000 0.234 208 R C 1.929 178.233 176.300 0.007 0.000 1.123 208 R CA 1.597 57.665 56.100 -0.054 0.000 0.975 208 R CB -0.473 29.735 30.300 -0.152 0.000 0.866 208 R HN 0.506 nan 8.270 nan 0.000 0.446 209 D N 1.126 121.567 120.400 0.067 0.000 2.117 209 D HA -0.101 4.534 4.640 -0.009 0.000 0.198 209 D C 2.066 178.370 176.300 0.006 0.000 0.982 209 D CA 0.842 54.888 54.000 0.075 0.000 0.828 209 D CB -0.227 40.638 40.800 0.107 0.000 0.967 209 D HN 0.139 nan 8.370 nan 0.000 0.464 210 L N 0.821 122.026 121.223 -0.031 0.000 2.043 210 L HA -0.235 4.099 4.340 -0.009 0.000 0.212 210 L C 2.499 179.289 176.870 -0.133 0.000 1.075 210 L CA 1.257 56.050 54.840 -0.078 0.000 0.752 210 L CB -0.441 41.560 42.059 -0.096 0.000 0.891 210 L HN 0.006 nan 8.230 nan 0.000 0.432 211 A N -0.090 122.680 122.820 -0.083 0.000 1.883 211 A HA -0.213 4.101 4.320 -0.009 0.000 0.217 211 A C 2.260 179.809 177.584 -0.058 0.000 1.186 211 A CA 1.444 53.451 52.037 -0.051 0.000 0.624 211 A CB -0.699 18.321 19.000 0.034 0.000 0.822 211 A HN 0.355 nan 8.150 nan 0.000 0.444 212 L N -0.773 120.434 121.223 -0.028 0.000 1.990 212 L HA -0.245 4.089 4.340 -0.009 0.000 0.213 212 L C 2.715 179.558 176.870 -0.045 0.000 1.072 212 L CA 1.623 56.455 54.840 -0.013 0.000 0.755 212 L CB -0.467 41.602 42.059 0.017 0.000 0.889 212 L HN 0.439 nan 8.230 nan 0.000 0.432 213 L N -1.525 119.657 121.223 -0.069 0.000 1.970 213 L HA -0.292 4.042 4.340 -0.009 0.000 0.212 213 L C 2.750 179.534 176.870 -0.143 0.000 1.071 213 L CA 1.258 56.048 54.840 -0.084 0.000 0.751 213 L CB -0.414 41.599 42.059 -0.077 0.000 0.889 213 L HN 0.320 nan 8.230 nan 0.000 0.432 214 M N -0.660 118.770 119.600 -0.282 0.000 2.082 214 M HA -0.274 4.201 4.480 -0.009 0.000 0.258 214 M C 1.924 178.061 176.300 -0.271 0.000 1.069 214 M CA 1.743 56.760 55.300 -0.472 0.000 1.102 214 M CB -1.303 30.560 32.600 -1.228 0.000 1.336 214 M HN 0.193 nan 8.290 nan 0.000 0.404 215 D N -0.049 120.263 120.400 -0.146 0.000 2.182 215 D HA -0.067 4.567 4.640 -0.009 0.000 0.201 215 D C 1.829 178.145 176.300 0.027 0.000 0.986 215 D CA 1.549 55.580 54.000 0.051 0.000 0.847 215 D CB 0.172 41.021 40.800 0.082 0.000 0.942 215 D HN 0.368 nan 8.370 nan 0.000 0.467 216 A N -0.124 122.688 122.820 -0.013 0.000 1.911 216 A HA 0.312 4.626 4.320 -0.009 0.000 0.212 216 A C 2.167 179.749 177.584 -0.004 0.000 1.189 216 A CA 1.318 53.353 52.037 -0.002 0.000 0.639 216 A CB -0.493 18.503 19.000 -0.006 0.000 0.839 216 A HN 0.203 nan 8.150 nan 0.000 0.449 217 A N -0.009 122.794 122.820 -0.027 0.000 1.930 217 A HA 0.534 4.849 4.320 -0.009 0.000 0.215 217 A C 1.594 179.174 177.584 -0.006 0.000 1.176 217 A CA 1.036 53.061 52.037 -0.019 0.000 0.632 217 A CB -0.878 18.098 19.000 -0.039 0.000 0.819 217 A HN 0.934 nan 8.150 nan 0.000 0.445 218 A N -1.145 121.669 122.820 -0.010 0.000 2.313 218 A HA 0.577 4.891 4.320 -0.009 0.000 0.261 218 A C 0.689 178.303 177.584 0.050 0.000 1.090 218 A CA 0.346 52.400 52.037 0.028 0.000 0.807 218 A CB -0.190 18.852 19.000 0.070 0.000 1.055 218 A HN 2.086 nan 8.150 nan 0.000 0.492 219 G N -0.446 108.385 108.800 0.052 0.000 2.335 219 G HA2 0.329 4.284 3.960 -0.009 0.000 0.592 219 G HA3 0.329 4.284 3.960 -0.009 0.000 0.592 219 G C -3.493 171.422 174.900 0.025 0.000 1.442 219 G CA -0.801 44.324 45.100 0.042 0.000 0.976 219 G HN 0.651 nan 8.290 nan 0.000 0.652 220 P HA 0.335 nan 4.420 nan 0.000 0.267 220 P C -0.863 176.436 177.300 -0.002 0.000 1.205 220 P CA 0.288 63.393 63.100 0.009 0.000 0.765 220 P CB 0.987 32.692 31.700 0.008 0.000 0.828 221 D N 3.762 124.157 120.400 -0.009 0.000 2.492 221 D HA 0.277 4.911 4.640 -0.009 0.000 0.248 221 D C -1.961 174.312 176.300 -0.045 0.000 1.101 221 D CA -2.592 51.390 54.000 -0.030 0.000 0.840 221 D CB 1.201 41.987 40.800 -0.023 0.000 1.209 221 D HN 0.009 nan 8.370 nan 0.000 0.524 222 P HA -0.055 nan 4.420 nan 0.000 0.223 222 P C 1.207 178.455 177.300 -0.088 0.000 1.144 222 P CA 0.873 63.935 63.100 -0.063 0.000 0.783 222 P CB 0.256 31.915 31.700 -0.068 0.000 0.771 223 L N -1.890 119.240 121.223 -0.155 0.000 2.375 223 L HA 0.084 4.418 4.340 -0.009 0.000 0.215 223 L C 0.854 177.704 176.870 -0.033 0.000 1.108 223 L CA 0.470 55.181 54.840 -0.216 0.000 0.830 223 L CB -0.355 41.295 42.059 -0.682 0.000 0.959 223 L HN -0.062 nan 8.230 nan 0.000 0.457 224 D N 0.455 120.859 120.400 0.006 0.000 2.412 224 D HA 0.296 4.931 4.640 -0.009 0.000 0.224 224 D C 0.726 177.050 176.300 0.040 0.000 1.093 224 D CA -0.142 53.898 54.000 0.067 0.000 0.850 224 D CB 1.995 42.838 40.800 0.071 0.000 1.046 224 D HN 0.040 nan 8.370 nan 0.000 0.507 225 A N 2.755 125.608 122.820 0.055 0.000 2.209 225 A HA -0.053 4.261 4.320 -0.009 0.000 0.212 225 A C 1.627 179.247 177.584 0.059 0.000 1.158 225 A CA 1.420 53.487 52.037 0.049 0.000 0.742 225 A CB -0.309 18.723 19.000 0.054 0.000 0.790 225 A HN 0.586 nan 8.150 nan 0.000 0.472 226 T N -2.212 112.379 114.554 0.062 0.000 3.054 226 T HA 0.223 4.567 4.350 -0.009 0.000 0.255 226 T C 0.758 175.462 174.700 0.007 0.000 1.035 226 T CA 0.440 62.587 62.100 0.078 0.000 0.941 226 T CB -0.597 68.355 68.868 0.141 0.000 1.026 226 T HN 0.467 nan 8.240 nan 0.000 0.533 227 S N 1.751 117.448 115.700 -0.006 0.000 2.565 227 S HA 0.562 5.026 4.470 -0.009 0.000 0.276 227 S C 0.005 174.613 174.600 0.012 0.000 1.326 227 S CA -0.898 57.289 58.200 -0.022 0.000 1.045 227 S CB 0.358 63.551 63.200 -0.011 0.000 0.918 227 S HN 0.430 nan 8.310 nan 0.000 0.505 228 L N 1.846 123.081 121.223 0.019 0.000 2.334 228 L HA 0.354 4.688 4.340 -0.009 0.000 0.277 228 L C 0.301 177.190 176.870 0.031 0.000 1.075 228 L CA -0.690 54.174 54.840 0.042 0.000 0.804 228 L CB 0.760 42.859 42.059 0.067 0.000 1.174 228 L HN 0.713 nan 8.230 nan 0.000 0.438 229 D N 3.985 124.402 120.400 0.028 0.000 2.619 229 D HA 0.307 4.941 4.640 -0.009 0.000 0.224 229 D C -0.848 175.464 176.300 0.019 0.000 1.133 229 D CA 0.149 54.160 54.000 0.020 0.000 1.017 229 D CB -0.248 40.560 40.800 0.013 0.000 1.077 229 D HN 0.248 nan 8.370 nan 0.000 0.503 230 L N 3.374 124.612 121.223 0.025 0.000 2.457 230 L HA 0.394 4.728 4.340 -0.009 0.000 0.266 230 L C -2.201 174.683 176.870 0.024 0.000 0.979 230 L CA -1.990 52.861 54.840 0.019 0.000 0.857 230 L CB 2.009 44.083 42.059 0.025 0.000 1.213 230 L HN 0.031 nan 8.230 nan 0.000 0.418 231 P HA 0.078 nan 4.420 nan 0.000 0.264 231 P C -1.938 175.375 177.300 0.023 0.000 1.193 231 P CA -0.729 62.383 63.100 0.021 0.000 0.763 231 P CB 0.307 32.010 31.700 0.005 0.000 0.810 232 P HA -0.173 nan 4.420 nan 0.000 0.211 232 P C 0.306 177.603 177.300 -0.005 0.000 1.181 232 P CA 1.156 64.374 63.100 0.197 0.000 0.929 232 P CB -0.080 31.810 31.700 0.317 0.000 0.789 233 R N -4.620 115.904 120.500 0.040 0.000 3.863 233 R HA -0.217 4.118 4.340 -0.009 0.000 0.313 233 R C 1.108 177.367 176.300 -0.070 0.000 1.202 233 R CA 0.135 56.214 56.100 -0.034 0.000 0.852 233 R CB -2.269 27.974 30.300 -0.096 0.000 1.292 233 R HN 0.197 nan 8.270 nan 0.000 0.519 234 F N 0.409 120.350 119.950 -0.015 0.000 2.113 234 F HA -0.155 4.368 4.527 -0.008 0.000 0.297 234 F C 2.534 178.319 175.800 -0.026 0.000 1.103 234 F CA 1.505 59.492 58.000 -0.021 0.000 1.248 234 F CB -0.104 38.885 39.000 -0.019 0.000 0.999 234 F HN 0.123 nan 8.300 nan 0.000 0.475 235 Q N 0.447 120.349 119.800 0.171 0.000 2.561 235 Q HA -0.151 4.183 4.340 -0.009 0.000 0.217 235 Q C 0.088 176.107 176.000 0.033 0.000 0.980 235 Q CA 0.702 56.553 55.803 0.079 0.000 0.927 235 Q CB -0.526 28.245 28.738 0.055 0.000 0.980 235 Q HN 0.543 nan 8.270 nan 0.000 0.525 236 E N 0.483 120.695 120.200 0.019 0.000 2.346 236 E HA 0.172 4.517 4.350 -0.009 0.000 0.317 236 E C 0.167 176.758 176.600 -0.016 0.000 1.404 236 E CA -0.341 56.054 56.400 -0.009 0.000 1.534 236 E CB 0.255 29.939 29.700 -0.026 0.000 1.309 236 E HN 0.197 nan 8.360 nan 0.000 0.499 237 A N 1.536 124.353 122.820 -0.004 0.000 2.460 237 A HA 0.098 4.412 4.320 -0.009 0.000 0.258 237 A C 0.297 177.870 177.584 -0.018 0.000 1.300 237 A CA -0.331 51.700 52.037 -0.010 0.000 0.913 237 A CB 0.129 19.128 19.000 -0.002 0.000 1.031 237 A HN 0.219 nan 8.150 nan 0.000 0.512 238 L N 2.016 123.228 121.223 -0.018 0.000 2.536 238 L HA 0.143 4.477 4.340 -0.009 0.000 0.282 238 L C 0.375 177.235 176.870 -0.016 0.000 1.174 238 L CA 0.241 55.070 54.840 -0.018 0.000 0.989 238 L CB -1.353 40.696 42.059 -0.016 0.000 1.311 238 L HN 0.376 nan 8.230 nan 0.000 0.455 239 E N 1.979 122.170 120.200 -0.014 0.000 2.406 239 E HA 0.198 4.543 4.350 -0.009 0.000 0.258 239 E C 0.730 177.324 176.600 -0.009 0.000 1.043 239 E CA 0.116 56.509 56.400 -0.011 0.000 0.929 239 E CB 0.663 30.359 29.700 -0.006 0.000 0.969 239 E HN 0.700 nan 8.360 nan 0.000 0.462 240 G N 5.561 114.354 108.800 -0.011 0.000 4.928 240 G HA2 0.222 4.176 3.960 -0.009 0.000 0.321 240 G HA3 0.222 4.176 3.960 -0.009 0.000 0.321 240 G C -2.351 172.544 174.900 -0.008 0.000 1.455 240 G CA -0.806 44.289 45.100 -0.009 0.000 1.081 240 G HN 0.326 nan 8.290 nan 0.000 0.569 241 P HA 0.391 nan 4.420 nan 0.000 0.301 241 P C 0.331 177.636 177.300 0.008 0.000 1.338 241 P CA -0.615 62.486 63.100 0.002 0.000 0.834 241 P CB 2.006 33.712 31.700 0.009 0.000 0.967 242 L N 4.737 125.963 121.223 0.006 0.000 2.559 242 L HA 0.068 4.402 4.340 -0.009 0.000 0.274 242 L C -1.639 175.246 176.870 0.025 0.000 1.205 242 L CA -1.340 53.507 54.840 0.011 0.000 0.907 242 L CB -1.192 40.870 42.059 0.005 0.000 1.153 242 L HN 0.273 nan 8.230 nan 0.000 0.490 243 P HA -0.180 nan 4.420 nan 0.000 0.078 243 P C -2.412 174.896 177.300 0.014 0.000 0.726 243 P CA 0.224 63.339 63.100 0.024 0.000 1.045 243 P CB -0.761 30.952 31.700 0.021 0.000 1.739 244 P HA 0.306 nan 4.420 nan 0.000 0.244 244 P C -0.241 177.067 177.300 0.013 0.000 1.619 244 P CA -0.476 62.635 63.100 0.018 0.000 1.275 244 P CB 0.938 32.647 31.700 0.016 0.000 1.297 245 L N 3.399 124.631 121.223 0.014 0.000 2.439 245 L HA 0.291 4.625 4.340 -0.009 0.000 0.269 245 L C 0.941 177.810 176.870 -0.002 0.000 1.179 245 L CA -0.336 54.507 54.840 0.004 0.000 0.828 245 L CB 0.419 42.476 42.059 -0.003 0.000 1.106 245 L HN 0.185 nan 8.230 nan 0.000 0.467 246 R N 3.081 123.577 120.500 -0.007 0.000 2.221 246 R HA 0.473 4.808 4.340 -0.009 0.000 0.327 246 R C -0.671 175.606 176.300 -0.038 0.000 1.033 246 R CA -0.188 55.901 56.100 -0.017 0.000 0.887 246 R CB 0.754 31.046 30.300 -0.015 0.000 1.057 246 R HN 0.443 nan 8.270 nan 0.000 0.455 247 L N 1.853 123.039 121.223 -0.062 0.000 2.307 247 L HA 0.664 4.999 4.340 -0.009 0.000 0.284 247 L C -0.198 176.617 176.870 -0.093 0.000 1.023 247 L CA -0.493 54.282 54.840 -0.108 0.000 0.810 247 L CB 1.524 43.464 42.059 -0.198 0.000 1.231 247 L HN 0.760 nan 8.230 nan 0.000 0.423 248 G N 4.517 113.254 108.800 -0.106 0.000 2.422 248 G HA2 0.516 4.470 3.960 -0.009 0.000 0.317 248 G HA3 0.516 4.470 3.960 -0.009 0.000 0.317 248 G C -0.999 173.840 174.900 -0.101 0.000 1.210 248 G CA -0.340 44.693 45.100 -0.111 0.000 0.930 248 G HN 0.413 nan 8.290 nan 0.000 0.468 249 V N 2.804 122.674 119.914 -0.073 0.000 2.546 249 V HA 0.183 4.298 4.120 -0.009 0.000 0.284 249 V C 0.371 176.435 176.094 -0.050 0.000 1.050 249 V CA -0.498 61.769 62.300 -0.054 0.000 0.981 249 V CB 1.688 33.492 31.823 -0.031 0.000 0.990 249 V HN 0.487 nan 8.190 nan 0.000 0.474 250 V N 7.198 127.089 119.914 -0.039 0.000 2.389 250 V HA 0.236 4.350 4.120 -0.009 0.000 0.264 250 V C 1.432 177.518 176.094 -0.014 0.000 1.049 250 V CA -0.180 62.119 62.300 -0.002 0.000 0.932 250 V CB 0.482 32.346 31.823 0.069 0.000 1.011 250 V HN 0.810 nan 8.190 nan 0.000 0.475 251 R N 2.658 123.161 120.500 0.003 0.000 2.083 251 R HA -0.193 4.141 4.340 -0.009 0.000 0.237 251 R C 1.875 178.179 176.300 0.008 0.000 1.137 251 R CA 1.765 57.867 56.100 0.003 0.000 0.951 251 R CB -0.015 30.292 30.300 0.013 0.000 0.851 251 R HN 0.698 nan 8.270 nan 0.000 0.434 252 E N 0.339 120.560 120.200 0.035 0.000 2.219 252 E HA -0.174 4.170 4.350 -0.009 0.000 0.198 252 E C 1.338 177.954 176.600 0.026 0.000 0.998 252 E CA 1.509 57.938 56.400 0.047 0.000 0.818 252 E CB -0.046 29.699 29.700 0.076 0.000 0.741 252 E HN 0.392 nan 8.360 nan 0.000 0.477 253 A N -0.382 122.394 122.820 -0.072 0.000 2.379 253 A HA 0.219 4.533 4.320 -0.009 0.000 0.236 253 A C 1.524 178.978 177.584 -0.216 0.000 1.272 253 A CA -0.129 51.737 52.037 -0.285 0.000 0.886 253 A CB -0.045 18.536 19.000 -0.699 0.000 0.962 253 A HN 0.149 nan 8.150 nan 0.000 0.504 254 L N -0.895 120.283 121.223 -0.075 0.000 2.249 254 L HA 0.197 4.532 4.340 -0.009 0.000 0.207 254 L C 1.447 178.323 176.870 0.011 0.000 1.090 254 L CA 0.490 55.307 54.840 -0.038 0.000 0.802 254 L CB -0.146 41.901 42.059 -0.020 0.000 0.947 254 L HN 0.395 nan 8.230 nan 0.000 0.453 255 A N -0.435 122.406 122.820 0.035 0.000 2.310 255 A HA 0.540 4.854 4.320 -0.009 0.000 0.299 255 A C 0.979 178.615 177.584 0.087 0.000 1.147 255 A CA 0.407 52.476 52.037 0.052 0.000 0.818 255 A CB 0.652 19.679 19.000 0.044 0.000 1.096 255 A HN 0.435 nan 8.150 nan 0.000 0.495 256 G N 1.659 110.505 108.800 0.077 0.000 2.179 256 G HA2 -0.184 3.770 3.960 -0.009 0.000 0.220 256 G HA3 -0.184 3.770 3.960 -0.009 0.000 0.220 256 G C -0.054 174.908 174.900 0.104 0.000 0.990 256 G CA 0.005 45.157 45.100 0.087 0.000 0.646 256 G HN 0.754 nan 8.290 nan 0.000 0.517 257 N N 1.030 119.790 118.700 0.100 0.000 2.515 257 N HA 0.564 5.299 4.740 -0.009 0.000 0.279 257 N C 0.667 176.224 175.510 0.078 0.000 1.164 257 N CA 0.419 53.529 53.050 0.101 0.000 0.982 257 N CB 1.475 40.011 38.487 0.082 0.000 1.170 257 N HN 0.610 nan 8.380 nan 0.000 0.474 258 S N 0.561 116.312 115.700 0.086 0.000 2.603 258 S HA 0.262 4.726 4.470 -0.009 0.000 0.268 258 S C -1.648 172.979 174.600 0.045 0.000 1.317 258 S CA -0.903 57.339 58.200 0.070 0.000 1.012 258 S CB 1.308 64.562 63.200 0.089 0.000 0.926 258 S HN 0.255 nan 8.310 nan 0.000 0.539 259 P HA -0.139 nan 4.420 nan 0.000 0.219 259 P C 1.711 179.024 177.300 0.022 0.000 1.161 259 P CA 2.122 65.237 63.100 0.025 0.000 0.909 259 P CB -0.547 31.164 31.700 0.018 0.000 0.793 260 G N -1.181 107.630 108.800 0.018 0.000 2.448 260 G HA2 -0.189 3.765 3.960 -0.009 0.000 0.219 260 G HA3 -0.189 3.765 3.960 -0.009 0.000 0.219 260 G C 1.585 176.486 174.900 0.002 0.000 1.127 260 G CA 0.567 45.673 45.100 0.010 0.000 0.766 260 G HN 0.201 nan 8.290 nan 0.000 0.552 261 V N 0.441 120.361 119.914 0.010 0.000 2.346 261 V HA -0.088 4.026 4.120 -0.009 0.000 0.244 261 V C 2.628 178.725 176.094 0.005 0.000 1.037 261 V CA 1.939 64.239 62.300 0.001 0.000 1.029 261 V CB -0.378 31.459 31.823 0.023 0.000 0.663 261 V HN 0.434 nan 8.190 nan 0.000 0.454 262 E N 0.068 120.279 120.200 0.018 0.000 2.085 262 E HA -0.271 4.073 4.350 -0.009 0.000 0.194 262 E C 2.401 179.015 176.600 0.025 0.000 0.994 262 E CA 1.463 57.875 56.400 0.020 0.000 0.801 262 E CB -0.230 29.485 29.700 0.025 0.000 0.743 262 E HN 0.409 nan 8.360 nan 0.000 0.453 263 R N 0.729 121.244 120.500 0.025 0.000 2.073 263 R HA -0.139 4.196 4.340 -0.009 0.000 0.234 263 R C 2.280 178.603 176.300 0.039 0.000 1.134 263 R CA 1.420 57.539 56.100 0.032 0.000 0.952 263 R CB -0.252 30.066 30.300 0.030 0.000 0.850 263 R HN 0.165 nan 8.270 nan 0.000 0.433 264 A N 0.967 123.802 122.820 0.025 0.000 2.019 264 A HA -0.143 4.171 4.320 -0.009 0.000 0.219 264 A C 1.970 179.587 177.584 0.055 0.000 1.164 264 A CA 1.014 53.068 52.037 0.028 0.000 0.644 264 A CB -0.436 18.547 19.000 -0.029 0.000 0.805 264 A HN 0.381 nan 8.150 nan 0.000 0.449 265 L N 0.007 121.252 121.223 0.038 0.000 2.023 265 L HA -0.072 4.262 4.340 -0.009 0.000 0.205 265 L C 2.170 179.098 176.870 0.095 0.000 1.073 265 L CA 2.259 57.132 54.840 0.056 0.000 0.745 265 L CB -0.909 41.161 42.059 0.020 0.000 0.900 265 L HN 0.499 nan 8.230 nan 0.000 0.435 266 E N -0.325 119.918 120.200 0.073 0.000 2.049 266 E HA -0.291 4.054 4.350 -0.009 0.000 0.198 266 E C 1.989 178.649 176.600 0.101 0.000 1.007 266 E CA 1.919 58.366 56.400 0.078 0.000 0.809 266 E CB -0.175 29.558 29.700 0.056 0.000 0.749 266 E HN 0.618 nan 8.360 nan 0.000 0.450 267 E N 0.325 120.584 120.200 0.098 0.000 2.118 267 E HA -0.213 4.131 4.350 -0.009 0.000 0.195 267 E C 2.065 178.754 176.600 0.148 0.000 0.992 267 E CA 0.918 57.378 56.400 0.100 0.000 0.804 267 E CB -0.158 29.594 29.700 0.087 0.000 0.741 267 E HN 0.244 nan 8.360 nan 0.000 0.458 268 A N 1.285 124.249 122.820 0.240 0.000 1.933 268 A HA -0.156 4.158 4.320 -0.009 0.000 0.218 268 A C 2.205 180.015 177.584 0.378 0.000 1.175 268 A CA 0.998 53.278 52.037 0.406 0.000 0.628 268 A CB -0.589 18.690 19.000 0.466 0.000 0.814 268 A HN 0.124 nan 8.150 nan 0.000 0.444 269 L N -1.051 120.366 121.223 0.322 0.000 2.017 269 L HA -0.228 4.106 4.340 -0.009 0.000 0.208 269 L C 2.564 179.566 176.870 0.221 0.000 1.073 269 L CA 1.884 56.908 54.840 0.307 0.000 0.745 269 L CB -0.499 41.671 42.059 0.186 0.000 0.894 269 L HN 0.257 nan 8.230 nan 0.000 0.432 270 K N -0.306 120.177 120.400 0.138 0.000 2.113 270 K HA -0.154 4.161 4.320 -0.009 0.000 0.208 270 K C 1.907 178.540 176.600 0.056 0.000 1.047 270 K CA 1.150 57.486 56.287 0.083 0.000 0.928 270 K CB -0.437 32.094 32.500 0.052 0.000 0.716 270 K HN 0.087 nan 8.250 nan 0.000 0.446 271 V N 0.012 119.939 119.914 0.021 0.000 2.323 271 V HA -0.180 3.934 4.120 -0.009 0.000 0.244 271 V C 1.800 177.848 176.094 -0.076 0.000 1.041 271 V CA 1.607 63.840 62.300 -0.111 0.000 1.025 271 V CB -0.485 31.157 31.823 -0.302 0.000 0.656 271 V HN 0.197 nan 8.190 nan 0.000 0.451 272 F N 0.105 120.141 119.950 0.142 0.000 2.293 272 F HA -0.087 4.435 4.527 -0.007 0.000 0.300 272 F C 2.616 178.456 175.800 0.066 0.000 1.086 272 F CA 1.200 59.269 58.000 0.115 0.000 1.375 272 F CB -0.238 38.835 39.000 0.122 0.000 1.045 272 F HN -0.012 nan 8.300 nan 0.000 0.516 273 R N 0.408 121.040 120.500 0.219 0.000 2.062 273 R HA -0.102 4.233 4.340 -0.009 0.000 0.229 273 R C 1.604 177.955 176.300 0.084 0.000 1.128 273 R CA 1.263 57.442 56.100 0.132 0.000 0.960 273 R CB -0.454 29.907 30.300 0.102 0.000 0.855 273 R HN 0.336 nan 8.270 nan 0.000 0.432 274 E N 0.562 120.797 120.200 0.058 0.000 2.526 274 E HA -0.075 4.269 4.350 -0.009 0.000 0.198 274 E C 1.129 177.745 176.600 0.026 0.000 1.091 274 E CA 0.158 56.574 56.400 0.027 0.000 0.880 274 E CB 0.245 29.946 29.700 0.001 0.000 0.873 274 E HN 0.153 nan 8.360 nan 0.000 0.527 275 L N -0.816 120.441 121.223 0.058 0.000 2.638 275 L HA 0.187 4.522 4.340 -0.009 0.000 0.232 275 L C 1.154 178.068 176.870 0.074 0.000 1.099 275 L CA 1.018 55.896 54.840 0.064 0.000 0.883 275 L CB 0.391 42.511 42.059 0.103 0.000 1.136 275 L HN 0.272 nan 8.230 nan 0.000 0.492 276 G N 0.499 109.345 108.800 0.077 0.000 2.141 276 G HA2 -0.166 3.788 3.960 -0.009 0.000 0.164 276 G HA3 -0.166 3.788 3.960 -0.009 0.000 0.164 276 G C 0.017 174.957 174.900 0.065 0.000 1.009 276 G CA -0.246 44.890 45.100 0.059 0.000 0.677 276 G HN 0.176 nan 8.290 nan 0.000 0.508 277 L N 0.941 122.219 121.223 0.093 0.000 2.334 277 L HA 0.602 4.936 4.340 -0.009 0.000 0.275 277 L C 0.422 177.324 176.870 0.054 0.000 1.036 277 L CA -0.774 54.111 54.840 0.075 0.000 0.807 277 L CB 1.893 44.012 42.059 0.101 0.000 1.231 277 L HN 0.106 nan 8.230 nan 0.000 0.438 278 S N 1.911 117.626 115.700 0.026 0.000 2.955 278 S HA 0.244 4.709 4.470 -0.009 0.000 0.294 278 S C -0.009 174.594 174.600 0.004 0.000 1.198 278 S CA -0.557 57.653 58.200 0.016 0.000 1.008 278 S CB 0.305 63.508 63.200 0.005 0.000 1.279 278 S HN 0.280 nan 8.310 nan 0.000 0.508 279 V N 4.389 124.315 119.914 0.019 0.000 2.508 279 V HA 0.406 4.520 4.120 -0.009 0.000 0.281 279 V C 0.501 176.595 176.094 -0.001 0.000 1.041 279 V CA -0.100 62.205 62.300 0.009 0.000 1.016 279 V CB 0.429 32.279 31.823 0.044 0.000 0.984 279 V HN 0.706 nan 8.190 nan 0.000 0.478 280 R N 3.258 123.746 120.500 -0.021 0.000 2.626 280 R HA 0.418 4.753 4.340 -0.009 0.000 0.274 280 R C -0.807 175.471 176.300 -0.037 0.000 1.031 280 R CA -0.666 55.419 56.100 -0.025 0.000 0.898 280 R CB 1.975 32.256 30.300 -0.032 0.000 1.222 280 R HN 0.773 nan 8.270 nan 0.000 0.455 281 E N 2.628 122.810 120.200 -0.030 0.000 2.259 281 E HA 0.238 4.582 4.350 -0.009 0.000 0.281 281 E C -0.240 176.330 176.600 -0.050 0.000 1.037 281 E CA -0.496 55.883 56.400 -0.034 0.000 0.854 281 E CB 1.551 31.240 29.700 -0.019 0.000 1.051 281 E HN 0.401 nan 8.360 nan 0.000 0.409 282 V N -0.125 119.748 119.914 -0.068 0.000 3.158 282 V HA 0.671 4.785 4.120 -0.009 0.000 0.315 282 V C -0.299 175.756 176.094 -0.064 0.000 1.148 282 V CA -0.908 61.336 62.300 -0.093 0.000 1.042 282 V CB 1.993 33.717 31.823 -0.164 0.000 1.101 282 V HN 0.485 nan 8.190 nan 0.000 0.448 283 S N 0.277 115.934 115.700 -0.072 0.000 2.478 283 S HA 0.508 4.972 4.470 -0.009 0.000 0.312 283 S C -1.250 173.364 174.600 0.024 0.000 1.094 283 S CA -0.518 57.680 58.200 -0.002 0.000 1.081 283 S CB 0.857 64.059 63.200 0.005 0.000 1.007 283 S HN 0.874 nan 8.310 nan 0.000 0.475 284 W N 7.199 128.463 121.300 -0.059 0.000 2.024 284 W HA 0.321 4.980 4.660 -0.002 0.000 0.318 284 W C -2.130 174.374 176.519 -0.025 0.000 0.817 284 W CA -2.419 54.893 57.345 -0.054 0.000 1.745 284 W CB 0.935 30.365 29.460 -0.050 0.000 1.940 284 W HN 0.677 nan 8.180 nan 0.000 0.346 285 P HA -0.314 nan 4.420 nan 0.000 0.214 285 P C 1.370 178.766 177.300 0.161 0.000 1.164 285 P CA 2.653 65.866 63.100 0.188 0.000 0.942 285 P CB 0.046 31.827 31.700 0.135 0.000 0.791 286 S N -1.562 114.229 115.700 0.151 0.000 2.614 286 S HA 0.120 4.584 4.470 -0.009 0.000 0.230 286 S C 1.621 176.249 174.600 0.047 0.000 0.952 286 S CA -0.420 57.852 58.200 0.120 0.000 0.949 286 S CB -0.944 62.275 63.200 0.032 0.000 0.786 286 S HN -0.047 nan 8.310 nan 0.000 0.478 287 L N 2.870 124.011 121.223 -0.135 0.000 2.042 287 L HA 0.010 4.345 4.340 -0.009 0.000 0.210 287 L C -0.776 176.012 176.870 -0.136 0.000 1.076 287 L CA 2.053 56.654 54.840 -0.398 0.000 0.749 287 L CB -1.673 40.042 42.059 -0.574 0.000 0.893 287 L HN 0.257 nan 8.230 nan 0.000 0.432 288 P HA -0.166 nan 4.420 nan 0.000 0.222 288 P C 0.962 178.268 177.300 0.010 0.000 1.147 288 P CA 1.199 64.307 63.100 0.013 0.000 0.790 288 P CB -0.062 31.663 31.700 0.040 0.000 0.780 289 Q N -0.938 118.888 119.800 0.043 0.000 2.360 289 Q HA 0.282 4.616 4.340 -0.009 0.000 0.202 289 Q C 1.974 177.895 176.000 -0.130 0.000 0.915 289 Q CA 0.216 56.002 55.803 -0.029 0.000 0.943 289 Q CB -0.050 28.695 28.738 0.012 0.000 1.064 289 Q HN 0.169 nan 8.270 nan 0.000 0.511 290 A N 0.958 123.784 122.820 0.010 0.000 1.970 290 A HA -0.073 4.241 4.320 -0.009 0.000 0.216 290 A C 1.911 179.495 177.584 -0.001 0.000 1.170 290 A CA 0.487 52.550 52.037 0.044 0.000 0.645 290 A CB -0.366 18.637 19.000 0.007 0.000 0.816 290 A HN 0.409 nan 8.150 nan 0.000 0.447 291 L N -0.543 120.681 121.223 0.001 0.000 2.043 291 L HA -0.266 4.069 4.340 -0.009 0.000 0.212 291 L C 2.897 179.879 176.870 0.186 0.000 1.075 291 L CA 1.713 56.606 54.840 0.088 0.000 0.752 291 L CB -0.557 41.548 42.059 0.077 0.000 0.891 291 L HN 0.474 nan 8.230 nan 0.000 0.432 292 A N -0.316 122.535 122.820 0.052 0.000 1.845 292 A HA -0.198 4.117 4.320 -0.009 0.000 0.215 292 A C 2.472 180.064 177.584 0.013 0.000 1.195 292 A CA 1.805 53.864 52.037 0.036 0.000 0.616 292 A CB -0.927 18.024 19.000 -0.083 0.000 0.832 292 A HN 0.516 nan 8.150 nan 0.000 0.443 293 A N -1.504 121.237 122.820 -0.133 0.000 1.948 293 A HA -0.208 4.106 4.320 -0.009 0.000 0.220 293 A C 2.147 179.720 177.584 -0.018 0.000 1.177 293 A CA 1.966 53.929 52.037 -0.123 0.000 0.636 293 A CB -0.894 18.007 19.000 -0.165 0.000 0.815 293 A HN 0.840 nan 8.150 nan 0.000 0.449 294 Y N -1.210 119.033 120.300 -0.096 0.000 2.145 294 Y HA -0.194 4.350 4.550 -0.010 0.000 0.286 294 Y C 1.534 177.306 175.900 -0.214 0.000 1.145 294 Y CA 1.758 59.756 58.100 -0.171 0.000 1.148 294 Y CB -0.381 37.939 38.460 -0.234 0.000 0.981 294 Y HN 0.328 nan 8.280 nan 0.000 0.507 295 Y N 0.683 120.977 120.300 -0.010 0.000 2.487 295 Y HA 0.057 4.601 4.550 -0.009 0.000 0.339 295 Y C 1.448 177.301 175.900 -0.080 0.000 1.191 295 Y CA 0.729 58.761 58.100 -0.114 0.000 1.279 295 Y CB -0.284 38.161 38.460 -0.026 0.000 1.122 295 Y HN 0.390 nan 8.280 nan 0.000 0.500 296 I N -3.580 116.987 120.570 -0.005 0.000 4.922 296 I HA 0.024 4.189 4.170 -0.009 0.000 0.331 296 I C 0.934 177.064 176.117 0.022 0.000 1.260 296 I CA 0.390 61.723 61.300 0.056 0.000 1.366 296 I CB 0.159 38.236 38.000 0.129 0.000 1.386 296 I HN 0.039 nan 8.210 nan 0.000 0.483 297 L N 1.493 122.657 121.223 -0.099 0.000 2.102 297 L HA 0.150 4.485 4.340 -0.009 0.000 0.202 297 L C 2.884 179.671 176.870 -0.138 0.000 1.076 297 L CA 1.396 56.181 54.840 -0.092 0.000 0.761 297 L CB -0.581 41.370 42.059 -0.181 0.000 0.921 297 L HN 0.340 nan 8.230 nan 0.000 0.444 298 A N 0.697 123.273 122.820 -0.407 0.000 1.855 298 A HA -0.092 4.223 4.320 -0.009 0.000 0.215 298 A C -0.146 177.333 177.584 -0.175 0.000 1.191 298 A CA 1.480 53.234 52.037 -0.473 0.000 0.613 298 A CB -1.805 16.575 19.000 -1.034 0.000 0.829 298 A HN 0.238 nan 8.150 nan 0.000 0.442 299 P HA -0.141 nan 4.420 nan 0.000 0.216 299 P C 1.754 179.057 177.300 0.006 0.000 1.150 299 P CA 1.937 65.030 63.100 -0.011 0.000 0.837 299 P CB -0.141 31.563 31.700 0.006 0.000 0.786 300 A N 0.351 123.184 122.820 0.023 0.000 1.859 300 A HA -0.287 4.027 4.320 -0.009 0.000 0.217 300 A C 2.150 179.732 177.584 -0.004 0.000 1.198 300 A CA 2.068 54.123 52.037 0.029 0.000 0.629 300 A CB -1.414 17.661 19.000 0.126 0.000 0.830 300 A HN 0.210 nan 8.150 nan 0.000 0.446 301 E N -0.479 119.725 120.200 0.008 0.000 2.150 301 E HA -0.036 4.308 4.350 -0.009 0.000 0.193 301 E C 2.275 178.875 176.600 -0.001 0.000 0.985 301 E CA 0.720 57.115 56.400 -0.008 0.000 0.814 301 E CB -0.278 29.408 29.700 -0.024 0.000 0.752 301 E HN 0.632 nan 8.360 nan 0.000 0.466 302 A N 1.669 124.510 122.820 0.035 0.000 1.902 302 A HA -0.227 4.087 4.320 -0.009 0.000 0.217 302 A C 2.375 179.948 177.584 -0.018 0.000 1.181 302 A CA 1.935 54.027 52.037 0.090 0.000 0.623 302 A CB -0.724 18.404 19.000 0.214 0.000 0.818 302 A HN 0.341 nan 8.150 nan 0.000 0.443 303 S N -0.656 115.027 115.700 -0.028 0.000 2.370 303 S HA -0.180 4.284 4.470 -0.009 0.000 0.226 303 S C 2.137 176.719 174.600 -0.030 0.000 1.033 303 S CA 1.962 60.138 58.200 -0.040 0.000 1.011 303 S CB -0.795 62.391 63.200 -0.024 0.000 0.852 303 S HN 0.527 nan 8.310 nan 0.000 0.457 304 S N 1.534 117.217 115.700 -0.028 0.000 2.414 304 S HA 0.034 4.498 4.470 -0.009 0.000 0.227 304 S C 1.826 176.408 174.600 -0.031 0.000 1.022 304 S CA 0.748 58.930 58.200 -0.030 0.000 0.958 304 S CB -0.649 62.530 63.200 -0.034 0.000 0.797 304 S HN 0.603 nan 8.310 nan 0.000 0.493 305 N N 1.001 119.688 118.700 -0.022 0.000 2.250 305 N HA 0.083 4.818 4.740 -0.009 0.000 0.181 305 N C 1.081 176.574 175.510 -0.029 0.000 1.017 305 N CA 0.776 53.815 53.050 -0.017 0.000 0.866 305 N CB -0.305 38.196 38.487 0.023 0.000 0.985 305 N HN 0.314 nan 8.380 nan 0.000 0.429 306 L N 0.570 121.777 121.223 -0.027 0.000 2.591 306 L HA 0.239 4.573 4.340 -0.009 0.000 0.228 306 L C 1.920 178.879 176.870 0.148 0.000 1.133 306 L CA 0.129 55.009 54.840 0.066 0.000 0.880 306 L CB -0.312 41.592 42.059 -0.258 0.000 1.033 306 L HN 0.009 nan 8.230 nan 0.000 0.450 307 A N 0.545 123.378 122.820 0.022 0.000 2.019 307 A HA -0.176 4.139 4.320 -0.009 0.000 0.219 307 A C 2.406 179.972 177.584 -0.030 0.000 1.164 307 A CA 1.316 53.366 52.037 0.022 0.000 0.644 307 A CB -0.479 18.513 19.000 -0.013 0.000 0.805 307 A HN 0.492 nan 8.150 nan 0.000 0.449 308 R N -1.072 119.329 120.500 -0.165 0.000 2.235 308 R HA -0.094 4.241 4.340 -0.009 0.000 0.213 308 R C -0.419 175.706 176.300 -0.291 0.000 1.059 308 R CA 0.669 56.615 56.100 -0.256 0.000 0.997 308 R CB -0.518 29.582 30.300 -0.333 0.000 0.884 308 R HN 0.447 nan 8.270 nan 0.000 0.462 309 Y N 3.564 123.894 120.300 0.050 0.000 2.724 309 Y HA 0.121 4.666 4.550 -0.010 0.000 0.354 309 Y C -0.262 175.588 175.900 -0.085 0.000 1.270 309 Y CA -1.063 57.054 58.100 0.028 0.000 1.902 309 Y CB -0.527 38.049 38.460 0.194 0.000 1.981 309 Y HN 0.282 nan 8.280 nan 0.000 0.428 310 D N -1.987 118.382 120.400 -0.051 0.000 2.442 310 D HA 0.366 5.000 4.640 -0.009 0.000 0.254 310 D C 1.317 177.539 176.300 -0.129 0.000 1.069 310 D CA -1.053 52.895 54.000 -0.088 0.000 1.017 310 D CB 0.838 41.587 40.800 -0.084 0.000 1.172 310 D HN 0.223 nan 8.370 nan 0.000 0.561 311 G N -1.436 107.302 108.800 -0.104 0.000 3.061 311 G HA2 -0.024 3.930 3.960 -0.009 0.000 0.208 311 G HA3 -0.024 3.930 3.960 -0.009 0.000 0.208 311 G C 1.115 175.951 174.900 -0.108 0.000 1.175 311 G CA 0.799 45.843 45.100 -0.093 0.000 0.812 311 G HN 0.647 nan 8.290 nan 0.000 0.523 312 T N -0.292 114.172 114.554 -0.149 0.000 2.668 312 T HA -0.075 4.270 4.350 -0.009 0.000 0.262 312 T C 2.054 176.681 174.700 -0.121 0.000 1.045 312 T CA 1.166 63.192 62.100 -0.122 0.000 1.152 312 T CB -0.168 68.628 68.868 -0.120 0.000 0.864 312 T HN 0.098 nan 8.240 nan 0.000 0.419 313 L N -0.664 120.416 121.223 -0.238 0.000 2.537 313 L HA 0.369 4.704 4.340 -0.009 0.000 0.224 313 L C 1.722 178.620 176.870 0.047 0.000 1.065 313 L CA 0.194 54.973 54.840 -0.103 0.000 0.860 313 L CB 0.173 42.219 42.059 -0.021 0.000 1.086 313 L HN 0.579 nan 8.230 nan 0.000 0.482 314 Y N -3.594 116.764 120.300 0.096 0.000 2.463 314 Y HA 0.564 5.109 4.550 -0.009 0.000 0.288 314 Y C 1.219 177.216 175.900 0.162 0.000 1.041 314 Y CA -0.547 57.650 58.100 0.161 0.000 1.054 314 Y CB -1.069 37.523 38.460 0.220 0.000 1.380 314 Y HN -0.153 nan 8.280 nan 0.000 0.581 315 G N 2.373 111.244 108.800 0.118 0.000 2.466 315 G HA2 0.278 4.232 3.960 -0.009 0.000 0.279 315 G HA3 0.278 4.232 3.960 -0.009 0.000 0.279 315 G C -0.290 174.681 174.900 0.118 0.000 1.410 315 G CA -0.710 44.491 45.100 0.167 0.000 1.065 315 G HN 0.250 nan 8.290 nan 0.000 0.547 316 R N -0.705 119.840 120.500 0.076 0.000 2.531 316 R HA 0.292 4.626 4.340 -0.009 0.000 0.273 316 R C 0.159 176.464 176.300 0.008 0.000 1.070 316 R CA -0.276 55.852 56.100 0.047 0.000 1.112 316 R CB 0.732 31.050 30.300 0.029 0.000 1.049 316 R HN 0.360 nan 8.270 nan 0.000 0.508 317 R N 0.856 121.360 120.500 0.008 0.000 2.312 317 R HA 0.214 4.549 4.340 -0.009 0.000 0.311 317 R C 0.369 176.660 176.300 -0.015 0.000 1.004 317 R CA -0.053 56.041 56.100 -0.011 0.000 0.902 317 R CB 1.506 31.804 30.300 -0.003 0.000 1.073 317 R HN 0.764 nan 8.270 nan 0.000 0.457 318 A N 3.079 125.882 122.820 -0.029 0.000 2.123 318 A HA 0.261 4.576 4.320 -0.009 0.000 0.214 318 A C 0.544 178.117 177.584 -0.019 0.000 1.152 318 A CA 0.845 52.864 52.037 -0.029 0.000 0.728 318 A CB 0.100 19.073 19.000 -0.045 0.000 0.814 318 A HN 0.952 nan 8.150 nan 0.000 0.464 319 A N -2.244 120.566 122.820 -0.016 0.000 2.798 319 A HA 0.179 4.493 4.320 -0.009 0.000 0.267 319 A C 1.007 178.584 177.584 -0.012 0.000 1.338 319 A CA 0.911 52.942 52.037 -0.010 0.000 0.722 319 A CB -1.555 17.441 19.000 -0.006 0.000 1.112 319 A HN 1.551 nan 8.150 nan 0.000 0.368 320 G N -0.373 108.419 108.800 -0.013 0.000 2.759 320 G HA2 0.469 4.424 3.960 -0.009 0.000 0.197 320 G HA3 0.469 4.424 3.960 -0.009 0.000 0.197 320 G C 0.572 175.466 174.900 -0.009 0.000 1.067 320 G CA 1.234 46.327 45.100 -0.012 0.000 0.742 320 G HN 2.038 nan 8.290 nan 0.000 0.651 321 E N -0.001 120.194 120.200 -0.009 0.000 4.129 321 E HA -0.246 4.098 4.350 -0.009 0.000 0.354 321 E C 1.074 177.669 176.600 -0.007 0.000 0.673 321 E CA 1.538 57.934 56.400 -0.007 0.000 1.347 321 E CB -1.371 28.326 29.700 -0.005 0.000 1.722 321 E HN 0.671 nan 8.360 nan 0.000 0.410 322 E N -0.845 119.349 120.200 -0.009 0.000 2.606 322 E HA 0.304 4.648 4.350 -0.009 0.000 0.224 322 E C 1.403 177.996 176.600 -0.012 0.000 0.930 322 E CA 0.246 56.640 56.400 -0.009 0.000 1.125 322 E CB 1.394 31.089 29.700 -0.009 0.000 1.123 322 E HN 0.187 nan 8.360 nan 0.000 0.522 323 V N 1.134 121.039 119.914 -0.015 0.000 0.603 323 V HA -0.547 3.567 4.120 -0.009 0.000 0.092 323 V C 1.589 177.671 176.094 -0.020 0.000 1.726 323 V CA 2.975 65.264 62.300 -0.019 0.000 3.362 323 V CB -1.282 30.531 31.823 -0.016 0.000 0.644 323 V HN 0.436 nan 8.190 nan 0.000 0.663 324 E N 1.264 121.455 120.200 -0.016 0.000 2.085 324 E HA -0.028 4.316 4.350 -0.009 0.000 0.194 324 E C 1.995 178.586 176.600 -0.016 0.000 0.994 324 E CA 1.780 58.171 56.400 -0.015 0.000 0.801 324 E CB -0.723 28.971 29.700 -0.011 0.000 0.743 324 E HN 0.903 nan 8.360 nan 0.000 0.453 325 G N 1.024 109.815 108.800 -0.015 0.000 2.408 325 G HA2 -0.281 3.673 3.960 -0.009 0.000 0.217 325 G HA3 -0.281 3.673 3.960 -0.009 0.000 0.217 325 G C 1.530 176.418 174.900 -0.020 0.000 1.150 325 G CA 0.950 46.041 45.100 -0.015 0.000 0.776 325 G HN 0.227 nan 8.290 nan 0.000 0.542 326 M N -0.138 119.449 119.600 -0.023 0.000 2.077 326 M HA 0.020 4.494 4.480 -0.009 0.000 0.261 326 M C 2.578 178.853 176.300 -0.040 0.000 1.070 326 M CA 1.505 56.787 55.300 -0.029 0.000 1.125 326 M CB -0.247 32.337 32.600 -0.027 0.000 1.339 326 M HN 0.213 nan 8.290 nan 0.000 0.409 327 M N -0.080 119.496 119.600 -0.040 0.000 2.080 327 M HA -0.253 4.221 4.480 -0.009 0.000 0.260 327 M C 2.029 178.300 176.300 -0.049 0.000 1.068 327 M CA 2.148 57.420 55.300 -0.048 0.000 1.109 327 M CB -0.705 31.872 32.600 -0.038 0.000 1.342 327 M HN 0.378 nan 8.290 nan 0.000 0.405 328 E N 0.216 120.396 120.200 -0.033 0.000 2.110 328 E HA -0.149 4.196 4.350 -0.009 0.000 0.193 328 E C 1.837 178.414 176.600 -0.038 0.000 0.988 328 E CA 1.477 57.861 56.400 -0.026 0.000 0.804 328 E CB 0.050 29.741 29.700 -0.014 0.000 0.745 328 E HN 0.476 nan 8.360 nan 0.000 0.458 329 A N -0.598 122.197 122.820 -0.042 0.000 1.975 329 A HA -0.049 4.265 4.320 -0.009 0.000 0.215 329 A C 2.303 179.844 177.584 -0.073 0.000 1.170 329 A CA 1.419 53.428 52.037 -0.045 0.000 0.656 329 A CB -0.488 18.492 19.000 -0.033 0.000 0.821 329 A HN 0.245 nan 8.150 nan 0.000 0.449 330 T N -0.105 114.395 114.554 -0.090 0.000 2.777 330 T HA -0.096 4.248 4.350 -0.009 0.000 0.266 330 T C 1.999 176.558 174.700 -0.236 0.000 1.040 330 T CA 1.470 63.493 62.100 -0.128 0.000 1.141 330 T CB -0.207 68.594 68.868 -0.111 0.000 0.868 330 T HN 0.498 nan 8.240 nan 0.000 0.444 331 R N 1.042 121.388 120.500 -0.257 0.000 2.189 331 R HA 0.154 4.488 4.340 -0.009 0.000 0.223 331 R C 2.546 178.646 176.300 -0.334 0.000 1.092 331 R CA 0.813 56.636 56.100 -0.461 0.000 0.989 331 R CB -0.263 29.917 30.300 -0.201 0.000 0.876 331 R HN 0.287 nan 8.270 nan 0.000 0.457 332 A N 0.724 123.456 122.820 -0.148 0.000 2.178 332 A HA -0.086 4.228 4.320 -0.009 0.000 0.218 332 A C 1.672 179.221 177.584 -0.059 0.000 1.157 332 A CA 0.925 52.929 52.037 -0.055 0.000 0.689 332 A CB -0.135 18.845 19.000 -0.033 0.000 0.787 332 A HN 0.109 nan 8.150 nan 0.000 0.465 333 L N -1.040 120.094 121.223 -0.149 0.000 2.552 333 L HA 0.160 4.495 4.340 -0.009 0.000 0.227 333 L C 0.325 177.177 176.870 -0.031 0.000 1.146 333 L CA 0.352 55.128 54.840 -0.106 0.000 0.858 333 L CB -0.817 41.161 42.059 -0.134 0.000 0.969 333 L HN 0.243 nan 8.230 nan 0.000 0.451 334 F N -0.071 119.882 119.950 0.005 0.000 2.586 334 F HA 0.322 4.844 4.527 -0.009 0.000 0.344 334 F C 1.540 177.331 175.800 -0.016 0.000 1.188 334 F CA -0.432 57.575 58.000 0.011 0.000 1.359 334 F CB -0.288 38.723 39.000 0.018 0.000 1.129 334 F HN -0.023 nan 8.300 nan 0.000 0.609 335 G N 1.263 110.184 108.800 0.202 0.000 2.547 335 G HA2 0.322 4.277 3.960 -0.009 0.000 0.291 335 G HA3 0.322 4.277 3.960 -0.009 0.000 0.291 335 G C 0.763 175.680 174.900 0.029 0.000 1.211 335 G CA -0.678 44.464 45.100 0.069 0.000 0.950 335 G HN 0.583 nan 8.290 nan 0.000 0.504 336 L N -0.300 120.927 121.223 0.006 0.000 2.079 336 L HA -0.086 4.249 4.340 -0.009 0.000 0.210 336 L C 2.690 179.507 176.870 -0.088 0.000 1.081 336 L CA 2.067 56.896 54.840 -0.018 0.000 0.752 336 L CB -0.675 41.389 42.059 0.008 0.000 0.896 336 L HN 0.757 nan 8.230 nan 0.000 0.433 337 E N -0.487 119.589 120.200 -0.207 0.000 2.047 337 E HA -0.141 4.204 4.350 -0.009 0.000 0.191 337 E C 2.172 178.660 176.600 -0.186 0.000 0.987 337 E CA 1.245 57.479 56.400 -0.277 0.000 0.799 337 E CB -0.143 29.188 29.700 -0.614 0.000 0.752 337 E HN 0.205 nan 8.360 nan 0.000 0.449 338 V N 1.373 121.170 119.914 -0.196 0.000 2.233 338 V HA -0.338 3.776 4.120 -0.009 0.000 0.247 338 V C 2.279 178.226 176.094 -0.244 0.000 1.050 338 V CA 2.460 64.593 62.300 -0.277 0.000 1.010 338 V CB -0.612 30.978 31.823 -0.388 0.000 0.637 338 V HN 0.289 nan 8.190 nan 0.000 0.444 339 K N -0.255 120.064 120.400 -0.135 0.000 2.034 339 K HA -0.299 4.016 4.320 -0.009 0.000 0.214 339 K C 2.377 178.943 176.600 -0.058 0.000 1.051 339 K CA 2.173 58.430 56.287 -0.050 0.000 0.931 339 K CB -0.395 32.121 32.500 0.027 0.000 0.715 339 K HN 0.308 nan 8.250 nan 0.000 0.446 340 R N 0.932 121.399 120.500 -0.054 0.000 2.094 340 R HA -0.168 4.166 4.340 -0.009 0.000 0.239 340 R C 2.393 178.678 176.300 -0.024 0.000 1.137 340 R CA 1.644 57.725 56.100 -0.032 0.000 0.943 340 R CB 0.025 30.316 30.300 -0.015 0.000 0.850 340 R HN 0.154 nan 8.270 nan 0.000 0.433 341 R N -0.075 120.396 120.500 -0.048 0.000 2.062 341 R HA -0.093 4.241 4.340 -0.009 0.000 0.231 341 R C 2.363 178.629 176.300 -0.056 0.000 1.136 341 R CA 1.466 57.540 56.100 -0.043 0.000 0.948 341 R CB -1.192 29.048 30.300 -0.101 0.000 0.845 341 R HN 0.300 nan 8.270 nan 0.000 0.430 342 V N 1.466 121.316 119.914 -0.107 0.000 2.759 342 V HA -0.130 3.984 4.120 -0.009 0.000 0.256 342 V C 1.959 178.036 176.094 -0.029 0.000 1.080 342 V CA 1.332 63.581 62.300 -0.085 0.000 1.101 342 V CB -0.297 31.440 31.823 -0.144 0.000 0.698 342 V HN 0.079 nan 8.190 nan 0.000 0.477 343 L N -0.128 121.082 121.223 -0.023 0.000 2.056 343 L HA -0.022 4.312 4.340 -0.009 0.000 0.207 343 L C 2.647 179.524 176.870 0.012 0.000 1.078 343 L CA 1.920 56.759 54.840 -0.002 0.000 0.749 343 L CB -1.280 40.769 42.059 -0.016 0.000 0.901 343 L HN 0.277 nan 8.230 nan 0.000 0.433 344 V N -0.104 119.809 119.914 -0.001 0.000 2.295 344 V HA -0.205 3.909 4.120 -0.009 0.000 0.246 344 V C 2.605 178.740 176.094 0.070 0.000 1.049 344 V CA 1.797 64.107 62.300 0.017 0.000 1.024 344 V CB -1.263 30.572 31.823 0.020 0.000 0.648 344 V HN 0.547 nan 8.190 nan 0.000 0.447 345 G N 0.250 109.073 108.800 0.038 0.000 2.440 345 G HA2 -0.303 3.651 3.960 -0.009 0.000 0.218 345 G HA3 -0.303 3.651 3.960 -0.009 0.000 0.218 345 G C 1.762 176.680 174.900 0.031 0.000 1.154 345 G CA 1.785 46.904 45.100 0.032 0.000 0.767 345 G HN 0.583 nan 8.290 nan 0.000 0.552 346 T N -1.255 113.321 114.554 0.036 0.000 2.821 346 T HA -0.083 4.262 4.350 -0.009 0.000 0.267 346 T C 2.117 176.847 174.700 0.051 0.000 1.046 346 T CA 1.169 63.290 62.100 0.034 0.000 1.139 346 T CB -0.386 68.505 68.868 0.038 0.000 0.871 346 T HN 0.202 nan 8.240 nan 0.000 0.454 347 F N 2.319 122.221 119.950 -0.080 0.000 2.102 347 F HA 0.001 4.522 4.527 -0.010 0.000 0.298 347 F C 2.241 177.956 175.800 -0.142 0.000 1.105 347 F CA 0.896 58.811 58.000 -0.143 0.000 1.239 347 F CB -0.506 38.340 39.000 -0.257 0.000 0.991 347 F HN -0.027 nan 8.300 nan 0.000 0.474 348 V N 0.845 120.727 119.914 -0.053 0.000 2.594 348 V HA -0.275 3.839 4.120 -0.009 0.000 0.253 348 V C 2.179 178.249 176.094 -0.040 0.000 1.069 348 V CA 1.837 64.079 62.300 -0.096 0.000 1.082 348 V CB -0.599 31.284 31.823 0.101 0.000 0.680 348 V HN 0.409 nan 8.190 nan 0.000 0.469 349 L N -0.006 121.207 121.223 -0.018 0.000 2.554 349 L HA 0.144 4.478 4.340 -0.009 0.000 0.225 349 L C 1.418 178.326 176.870 0.063 0.000 1.104 349 L CA 0.067 54.950 54.840 0.072 0.000 0.866 349 L CB -0.122 41.926 42.059 -0.018 0.000 1.047 349 L HN 0.417 nan 8.230 nan 0.000 0.468 350 S N -0.629 115.057 115.700 -0.023 0.000 2.573 350 S HA 0.045 4.510 4.470 -0.009 0.000 0.277 350 S C 0.490 175.094 174.600 0.006 0.000 1.346 350 S CA -0.567 57.626 58.200 -0.013 0.000 1.034 350 S CB 1.090 64.281 63.200 -0.015 0.000 0.879 350 S HN 0.148 nan 8.310 nan 0.000 0.528 351 S N 1.628 117.314 115.700 -0.022 0.000 2.558 351 S HA 0.412 4.877 4.470 -0.009 0.000 0.293 351 S C 1.597 176.099 174.600 -0.164 0.000 1.292 351 S CA 0.721 58.883 58.200 -0.064 0.000 1.063 351 S CB -0.865 62.295 63.200 -0.066 0.000 0.831 351 S HN 2.263 nan 8.310 nan 0.000 0.499 352 G N 3.731 112.413 108.800 -0.197 0.000 2.225 352 G HA2 -0.269 3.685 3.960 -0.009 0.000 0.254 352 G HA3 -0.269 3.685 3.960 -0.009 0.000 0.254 352 G C 0.333 174.925 174.900 -0.513 0.000 0.988 352 G CA 0.709 45.572 45.100 -0.395 0.000 0.625 352 G HN 0.779 nan 8.290 nan 0.000 0.527 353 Y N -1.787 118.474 120.300 -0.065 0.000 2.527 353 Y HA 0.369 4.913 4.550 -0.010 0.000 0.247 353 Y C 1.914 177.843 175.900 0.047 0.000 1.138 353 Y CA -0.158 57.887 58.100 -0.092 0.000 1.228 353 Y CB -0.360 37.737 38.460 -0.604 0.000 1.252 353 Y HN 0.282 nan 8.280 nan 0.000 0.531 354 Y N 1.721 122.063 120.300 0.070 0.000 2.089 354 Y HA -0.248 4.296 4.550 -0.009 0.000 0.282 354 Y C 2.429 178.435 175.900 0.177 0.000 1.139 354 Y CA 2.385 60.544 58.100 0.099 0.000 1.123 354 Y CB 0.090 38.564 38.460 0.024 0.000 0.980 354 Y HN 0.074 nan 8.280 nan 0.000 0.493 355 E N 0.452 120.804 120.200 0.253 0.000 2.150 355 E HA -0.112 4.233 4.350 -0.009 0.000 0.193 355 E C 2.075 178.718 176.600 0.071 0.000 0.985 355 E CA 1.220 57.703 56.400 0.137 0.000 0.814 355 E CB -0.502 29.300 29.700 0.171 0.000 0.752 355 E HN 0.506 nan 8.360 nan 0.000 0.466 356 A N -1.243 121.658 122.820 0.135 0.000 2.067 356 A HA -0.087 4.227 4.320 -0.009 0.000 0.219 356 A C 1.217 178.777 177.584 -0.041 0.000 1.158 356 A CA 1.333 53.427 52.037 0.095 0.000 0.661 356 A CB -0.301 18.842 19.000 0.239 0.000 0.801 356 A HN 0.379 nan 8.150 nan 0.000 0.452 357 Y N -4.308 116.007 120.300 0.024 0.000 3.105 357 Y HA 0.169 4.714 4.550 -0.009 0.000 0.216 357 Y C 2.037 177.904 175.900 -0.055 0.000 0.943 357 Y CA 0.249 58.359 58.100 0.016 0.000 1.535 357 Y CB -0.662 37.843 38.460 0.075 0.000 1.475 357 Y HN 0.174 nan 8.280 nan 0.000 0.435 358 Y N 0.975 121.225 120.300 -0.083 0.000 2.070 358 Y HA -0.180 4.364 4.550 -0.009 0.000 0.280 358 Y C 2.469 178.189 175.900 -0.300 0.000 1.148 358 Y CA 2.126 60.057 58.100 -0.282 0.000 1.125 358 Y CB -0.834 37.260 38.460 -0.610 0.000 0.975 358 Y HN 0.191 nan 8.280 nan 0.000 0.492 359 G N -0.249 108.377 108.800 -0.290 0.000 2.469 359 G HA2 -0.371 3.583 3.960 -0.009 0.000 0.220 359 G HA3 -0.371 3.583 3.960 -0.009 0.000 0.220 359 G C 1.755 176.585 174.900 -0.117 0.000 1.136 359 G CA 1.111 46.112 45.100 -0.165 0.000 0.759 359 G HN 0.453 nan 8.290 nan 0.000 0.562 360 R N 0.576 121.016 120.500 -0.099 0.000 2.062 360 R HA 0.110 4.444 4.340 -0.009 0.000 0.231 360 R C 2.773 179.035 176.300 -0.064 0.000 1.136 360 R CA 1.648 57.706 56.100 -0.071 0.000 0.948 360 R CB -0.510 29.728 30.300 -0.104 0.000 0.845 360 R HN 0.229 nan 8.270 nan 0.000 0.430 361 A N 0.474 123.218 122.820 -0.126 0.000 2.015 361 A HA -0.130 4.185 4.320 -0.009 0.000 0.219 361 A C 2.039 179.553 177.584 -0.117 0.000 1.163 361 A CA 1.119 53.087 52.037 -0.116 0.000 0.646 361 A CB -0.342 18.562 19.000 -0.159 0.000 0.806 361 A HN 0.528 nan 8.150 nan 0.000 0.448 362 Q N -0.669 118.982 119.800 -0.248 0.000 2.046 362 Q HA -0.126 4.208 4.340 -0.009 0.000 0.200 362 Q C 2.483 178.446 176.000 -0.060 0.000 0.975 362 Q CA 1.399 57.073 55.803 -0.215 0.000 0.836 362 Q CB -0.354 28.218 28.738 -0.277 0.000 0.896 362 Q HN 0.675 nan 8.270 nan 0.000 0.428 363 A N 0.267 123.072 122.820 -0.025 0.000 1.978 363 A HA -0.198 4.116 4.320 -0.009 0.000 0.220 363 A C 1.810 179.423 177.584 0.049 0.000 1.170 363 A CA 1.133 53.178 52.037 0.014 0.000 0.636 363 A CB -0.727 18.286 19.000 0.021 0.000 0.810 363 A HN 0.455 nan 8.150 nan 0.000 0.448 364 F N -0.085 119.831 119.950 -0.057 0.000 2.259 364 F HA -0.035 4.488 4.527 -0.007 0.000 0.298 364 F C 2.382 178.168 175.800 -0.024 0.000 1.088 364 F CA 1.420 59.398 58.000 -0.036 0.000 1.358 364 F CB -0.065 38.907 39.000 -0.048 0.000 1.040 364 F HN 0.116 nan 8.300 nan 0.000 0.505 365 R N 0.694 121.287 120.500 0.155 0.000 2.096 365 R HA -0.117 4.217 4.340 -0.009 0.000 0.235 365 R C 2.247 178.562 176.300 0.026 0.000 1.127 365 R CA 1.225 57.377 56.100 0.086 0.000 0.968 365 R CB -0.255 30.067 30.300 0.036 0.000 0.861 365 R HN 0.287 nan 8.270 nan 0.000 0.440 366 R N -0.323 120.177 120.500 0.001 0.000 2.148 366 R HA -0.015 4.320 4.340 -0.009 0.000 0.227 366 R C 2.271 178.557 176.300 -0.023 0.000 1.103 366 R CA 0.483 56.584 56.100 0.001 0.000 0.983 366 R CB -0.151 30.145 30.300 -0.007 0.000 0.874 366 R HN 0.110 nan 8.270 nan 0.000 0.451 367 R N 0.994 121.429 120.500 -0.108 0.000 2.073 367 R HA -0.066 4.269 4.340 -0.009 0.000 0.234 367 R C 2.352 178.626 176.300 -0.043 0.000 1.134 367 R CA 1.147 57.157 56.100 -0.150 0.000 0.952 367 R CB -0.691 29.381 30.300 -0.380 0.000 0.850 367 R HN 0.246 nan 8.270 nan 0.000 0.433 368 L N 0.820 122.013 121.223 -0.050 0.000 2.012 368 L HA -0.240 4.094 4.340 -0.009 0.000 0.210 368 L C 2.530 179.640 176.870 0.401 0.000 1.073 368 L CA 1.656 56.633 54.840 0.229 0.000 0.748 368 L CB -0.450 41.648 42.059 0.064 0.000 0.891 368 L HN 0.190 nan 8.230 nan 0.000 0.431 369 K N -0.135 120.416 120.400 0.253 0.000 2.063 369 K HA -0.204 4.110 4.320 -0.009 0.000 0.208 369 K C 2.215 178.924 176.600 0.180 0.000 1.048 369 K CA 1.508 57.963 56.287 0.280 0.000 0.928 369 K CB -0.315 32.324 32.500 0.231 0.000 0.713 369 K HN 0.323 nan 8.250 nan 0.000 0.442 370 A N 1.889 124.766 122.820 0.095 0.000 1.845 370 A HA -0.231 4.083 4.320 -0.009 0.000 0.215 370 A C 1.930 179.516 177.584 0.003 0.000 1.195 370 A CA 1.692 53.748 52.037 0.033 0.000 0.616 370 A CB -0.571 18.430 19.000 0.002 0.000 0.832 370 A HN 0.324 nan 8.150 nan 0.000 0.443 371 E N -0.264 119.944 120.200 0.013 0.000 2.219 371 E HA -0.158 4.187 4.350 -0.009 0.000 0.198 371 E C 2.166 178.543 176.600 -0.373 0.000 0.998 371 E CA 0.909 57.244 56.400 -0.108 0.000 0.818 371 E CB -0.284 29.459 29.700 0.071 0.000 0.741 371 E HN 0.642 nan 8.360 nan 0.000 0.477 372 A N 1.225 123.887 122.820 -0.265 0.000 1.898 372 A HA -0.191 4.123 4.320 -0.009 0.000 0.214 372 A C 2.063 179.635 177.584 -0.020 0.000 1.183 372 A CA 0.954 52.818 52.037 -0.290 0.000 0.622 372 A CB -0.305 18.783 19.000 0.147 0.000 0.824 372 A HN 0.131 nan 8.150 nan 0.000 0.444 373 Q N -0.359 119.497 119.800 0.094 0.000 2.077 373 Q HA -0.213 4.122 4.340 -0.009 0.000 0.206 373 Q C 2.366 178.379 176.000 0.022 0.000 0.989 373 Q CA 1.704 57.571 55.803 0.107 0.000 0.853 373 Q CB -0.434 28.327 28.738 0.038 0.000 0.907 373 Q HN 0.681 nan 8.270 nan 0.000 0.418 374 A N 0.330 123.108 122.820 -0.070 0.000 1.969 374 A HA -0.141 4.173 4.320 -0.009 0.000 0.218 374 A C 1.976 179.459 177.584 -0.169 0.000 1.169 374 A CA 0.951 52.926 52.037 -0.103 0.000 0.635 374 A CB -0.356 18.576 19.000 -0.112 0.000 0.810 374 A HN 0.247 nan 8.150 nan 0.000 0.445 375 L N -1.699 119.335 121.223 -0.315 0.000 2.109 375 L HA 0.068 4.402 4.340 -0.009 0.000 0.207 375 L C 1.685 178.300 176.870 -0.425 0.000 1.086 375 L CA 1.498 56.054 54.840 -0.474 0.000 0.760 375 L CB -0.682 40.887 42.059 -0.818 0.000 0.910 375 L HN 0.458 nan 8.230 nan 0.000 0.437 376 F N -1.300 118.573 119.950 -0.128 0.000 2.804 376 F HA 0.062 4.580 4.527 -0.015 0.000 0.303 376 F C 2.024 177.788 175.800 -0.061 0.000 1.154 376 F CA 0.040 57.993 58.000 -0.079 0.000 1.401 376 F CB -0.139 38.839 39.000 -0.037 0.000 1.106 376 F HN -0.042 nan 8.300 nan 0.000 0.568 377 R N -0.075 120.454 120.500 0.048 0.000 2.280 377 R HA 0.040 4.374 4.340 -0.009 0.000 0.195 377 R C 1.110 177.405 176.300 -0.010 0.000 0.935 377 R CA 0.686 56.797 56.100 0.018 0.000 1.033 377 R CB 0.065 30.360 30.300 -0.009 0.000 0.964 377 R HN 0.380 nan 8.270 nan 0.000 0.489 378 E N -0.270 119.905 120.200 -0.041 0.000 2.485 378 E HA 0.120 4.464 4.350 -0.009 0.000 0.213 378 E C -0.293 176.276 176.600 -0.051 0.000 0.923 378 E CA 0.120 56.489 56.400 -0.053 0.000 1.054 378 E CB 1.437 31.089 29.700 -0.081 0.000 1.077 378 E HN -0.077 nan 8.360 nan 0.000 0.509 379 V N 0.573 120.459 119.914 -0.047 0.000 3.130 379 V HA 0.205 4.319 4.120 -0.009 0.000 0.310 379 V C -0.276 175.879 176.094 0.100 0.000 1.158 379 V CA -0.780 61.504 62.300 -0.026 0.000 1.029 379 V CB 2.182 33.938 31.823 -0.111 0.000 1.057 379 V HN -0.100 nan 8.190 nan 0.000 0.436 380 D N 0.289 120.748 120.400 0.098 0.000 2.422 380 D HA 0.355 4.989 4.640 -0.009 0.000 0.218 380 D C 0.022 176.434 176.300 0.187 0.000 1.047 380 D CA 0.773 54.857 54.000 0.139 0.000 0.885 380 D CB 1.121 41.947 40.800 0.044 0.000 1.035 380 D HN 0.281 nan 8.370 nan 0.000 0.502 381 L N 0.561 121.863 121.223 0.132 0.000 2.376 381 L HA 0.495 4.830 4.340 -0.009 0.000 0.258 381 L C -1.015 175.890 176.870 0.058 0.000 1.013 381 L CA -0.788 54.126 54.840 0.123 0.000 0.822 381 L CB 2.858 44.897 42.059 -0.034 0.000 1.388 381 L HN -0.285 nan 8.230 nan 0.000 0.413 382 L N 2.286 123.555 121.223 0.077 0.000 2.362 382 L HA 0.613 4.947 4.340 -0.009 0.000 0.271 382 L C -1.267 175.596 176.870 -0.011 0.000 1.002 382 L CA -0.682 54.147 54.840 -0.017 0.000 0.818 382 L CB 2.478 44.519 42.059 -0.029 0.000 1.298 382 L HN 0.315 nan 8.230 nan 0.000 0.420 383 L N 4.395 125.594 121.223 -0.041 0.000 2.386 383 L HA 0.807 5.142 4.340 -0.009 0.000 0.271 383 L C -1.365 175.480 176.870 -0.040 0.000 0.993 383 L CA -0.432 54.391 54.840 -0.028 0.000 0.819 383 L CB 1.826 43.851 42.059 -0.056 0.000 1.294 383 L HN 0.426 nan 8.230 nan 0.000 0.414 384 L N 2.555 123.744 121.223 -0.057 0.000 2.838 384 L HA 0.792 5.126 4.340 -0.009 0.000 0.266 384 L C -2.842 173.926 176.870 -0.171 0.000 1.040 384 L CA -1.864 52.882 54.840 -0.157 0.000 0.906 384 L CB 0.402 42.324 42.059 -0.228 0.000 1.501 384 L HN 0.263 nan 8.230 nan 0.000 0.407 385 P HA 0.330 nan 4.420 nan 0.000 0.275 385 P C 0.284 177.580 177.300 -0.007 0.000 1.228 385 P CA -0.062 62.961 63.100 -0.128 0.000 0.786 385 P CB 0.551 32.213 31.700 -0.063 0.000 0.927 386 T N -1.162 113.380 114.554 -0.020 0.000 2.951 386 T HA 0.013 4.358 4.350 -0.009 0.000 0.268 386 T C 0.775 175.509 174.700 0.056 0.000 1.073 386 T CA 1.346 63.447 62.100 0.001 0.000 1.134 386 T CB -0.165 68.652 68.868 -0.086 0.000 0.884 386 T HN 0.564 nan 8.240 nan 0.000 0.479 387 T N -0.235 114.369 114.554 0.083 0.000 2.957 387 T HA 0.343 4.687 4.350 -0.009 0.000 0.336 387 T C -2.708 171.979 174.700 -0.020 0.000 1.462 387 T CA -1.324 60.747 62.100 -0.048 0.000 1.073 387 T CB 1.812 70.598 68.868 -0.136 0.000 1.319 387 T HN -0.284 nan 8.240 nan 0.000 0.485 388 P HA 0.158 nan 4.420 nan 0.000 0.233 388 P C -0.415 176.867 177.300 -0.030 0.000 1.167 388 P CA 0.876 63.956 63.100 -0.034 0.000 0.770 388 P CB -0.168 31.481 31.700 -0.084 0.000 0.837 389 H N -4.678 114.469 119.070 0.128 0.000 2.990 389 H HA 0.577 5.128 4.556 -0.009 0.000 0.336 389 H C -3.136 172.271 175.328 0.131 0.000 1.306 389 H CA -2.859 53.247 56.048 0.097 0.000 1.118 389 H CB -0.405 29.401 29.762 0.074 0.000 1.856 389 H HN -0.330 nan 8.280 nan 0.000 0.538 390 P HA 0.298 nan 4.420 nan 0.000 0.282 390 P C -0.301 176.741 177.300 -0.430 0.000 1.287 390 P CA -0.495 62.587 63.100 -0.031 0.000 0.792 390 P CB 0.407 32.046 31.700 -0.102 0.000 1.163 391 A N 0.297 122.438 122.820 -1.132 0.000 2.587 391 A HA 0.262 4.576 4.320 -0.009 0.000 0.235 391 A C 0.327 177.461 177.584 -0.750 0.000 1.044 391 A CA 0.150 51.151 52.037 -1.726 0.000 0.754 391 A CB -1.292 17.035 19.000 -1.122 0.000 0.968 391 A HN 0.438 nan 8.150 nan 0.000 0.509 392 F N 1.702 121.317 119.950 -0.559 0.000 2.411 392 F HA 0.782 5.303 4.527 -0.010 0.000 0.324 392 F C -2.598 173.028 175.800 -0.291 0.000 1.086 392 F CA -3.513 54.290 58.000 -0.328 0.000 1.028 392 F CB 0.271 39.116 39.000 -0.259 0.000 1.284 392 F HN 0.258 nan 8.300 nan 0.000 0.501 393 P HA 0.234 nan 4.420 nan 0.000 0.282 393 P C -0.866 176.465 177.300 0.051 0.000 1.249 393 P CA -0.527 62.555 63.100 -0.030 0.000 0.806 393 P CB 0.474 32.209 31.700 0.058 0.000 0.984 394 F N 1.024 121.010 119.950 0.059 0.000 2.642 394 F HA 0.230 4.752 4.527 -0.009 0.000 0.371 394 F C 2.097 177.952 175.800 0.091 0.000 1.120 394 F CA 2.355 60.402 58.000 0.079 0.000 1.331 394 F CB -0.527 38.494 39.000 0.035 0.000 1.044 394 F HN 0.720 nan 8.300 nan 0.000 0.594 395 G N 0.604 109.567 108.800 0.271 0.000 2.349 395 G HA2 -0.142 3.812 3.960 -0.009 0.000 0.213 395 G HA3 -0.142 3.812 3.960 -0.009 0.000 0.213 395 G C 0.394 175.347 174.900 0.088 0.000 1.044 395 G CA -0.184 45.008 45.100 0.152 0.000 0.633 395 G HN 1.058 nan 8.290 nan 0.000 0.506 396 A N 0.051 122.923 122.820 0.088 0.000 2.325 396 A HA 0.581 4.895 4.320 -0.009 0.000 0.260 396 A C 1.462 178.984 177.584 -0.103 0.000 1.133 396 A CA 1.497 53.510 52.037 -0.040 0.000 0.801 396 A CB -0.043 18.890 19.000 -0.111 0.000 1.092 396 A HN 1.430 nan 8.150 nan 0.000 0.504 397 R N -1.400 118.965 120.500 -0.224 0.000 3.423 397 R HA -0.171 4.163 4.340 -0.009 0.000 0.271 397 R C 1.125 177.366 176.300 -0.097 0.000 1.093 397 R CA 1.141 57.113 56.100 -0.213 0.000 0.730 397 R CB -2.303 27.835 30.300 -0.271 0.000 1.190 397 R HN 0.972 nan 8.270 nan 0.000 0.437 398 R N -0.500 119.952 120.500 -0.080 0.000 2.092 398 R HA -0.042 4.292 4.340 -0.009 0.000 0.231 398 R C 0.394 176.651 176.300 -0.072 0.000 1.119 398 R CA 1.034 57.105 56.100 -0.049 0.000 0.970 398 R CB -0.091 30.185 30.300 -0.040 0.000 0.864 398 R HN 0.111 nan 8.270 nan 0.000 0.440 399 D N 2.256 122.590 120.400 -0.109 0.000 2.338 399 D HA 0.110 4.744 4.640 -0.009 0.000 0.255 399 D C -1.695 174.476 176.300 -0.215 0.000 1.237 399 D CA -2.565 51.347 54.000 -0.146 0.000 0.883 399 D CB 1.612 42.325 40.800 -0.146 0.000 1.087 399 D HN -0.105 nan 8.370 nan 0.000 0.485 400 P HA -0.184 nan 4.420 nan 0.000 0.217 400 P C 1.404 178.211 177.300 -0.822 0.000 1.148 400 P CA 0.728 63.564 63.100 -0.440 0.000 0.834 400 P CB 0.233 31.684 31.700 -0.415 0.000 0.783 401 L N -0.697 120.150 121.223 -0.627 0.000 2.017 401 L HA -0.139 4.195 4.340 -0.009 0.000 0.208 401 L C 2.517 179.177 176.870 -0.351 0.000 1.073 401 L CA 2.042 56.539 54.840 -0.572 0.000 0.745 401 L CB -1.623 40.247 42.059 -0.315 0.000 0.894 401 L HN -0.103 nan 8.230 nan 0.000 0.432 402 A N -1.292 121.375 122.820 -0.254 0.000 1.986 402 A HA -0.263 4.051 4.320 -0.009 0.000 0.220 402 A C 2.311 179.809 177.584 -0.143 0.000 1.171 402 A CA 1.896 53.825 52.037 -0.180 0.000 0.640 402 A CB -0.491 18.395 19.000 -0.190 0.000 0.811 402 A HN 0.347 nan 8.150 nan 0.000 0.451 403 M N -1.565 117.949 119.600 -0.143 0.000 2.175 403 M HA -0.070 4.404 4.480 -0.009 0.000 0.264 403 M C 1.993 178.419 176.300 0.209 0.000 1.063 403 M CA 1.289 56.606 55.300 0.028 0.000 1.119 403 M CB -1.051 31.607 32.600 0.097 0.000 1.377 403 M HN 0.566 nan 8.290 nan 0.000 0.415 404 Y N 0.450 120.706 120.300 -0.074 0.000 2.200 404 Y HA -0.093 4.451 4.550 -0.009 0.000 0.290 404 Y C 2.205 178.113 175.900 0.012 0.000 1.137 404 Y CA 0.958 59.008 58.100 -0.083 0.000 1.163 404 Y CB -1.189 36.901 38.460 -0.616 0.000 0.988 404 Y HN 0.271 nan 8.280 nan 0.000 0.518 405 R N 0.531 121.091 120.500 0.101 0.000 2.346 405 R HA -0.070 4.265 4.340 -0.009 0.000 0.199 405 R C 1.517 177.807 176.300 -0.016 0.000 1.015 405 R CA 0.180 56.290 56.100 0.017 0.000 1.058 405 R CB -0.030 30.250 30.300 -0.034 0.000 0.921 405 R HN 0.287 nan 8.270 nan 0.000 0.475 406 E N 0.617 120.846 120.200 0.049 0.000 2.216 406 E HA -0.094 4.250 4.350 -0.009 0.000 0.192 406 E C 0.194 176.753 176.600 -0.067 0.000 0.988 406 E CA 0.915 57.341 56.400 0.043 0.000 0.834 406 E CB 0.183 29.979 29.700 0.159 0.000 0.772 406 E HN 0.299 nan 8.360 nan 0.000 0.479 407 D N 0.633 121.006 120.400 -0.046 0.000 2.722 407 D HA 0.085 4.720 4.640 -0.009 0.000 0.239 407 D C 1.512 177.712 176.300 -0.166 0.000 1.249 407 D CA -0.118 53.809 54.000 -0.121 0.000 0.830 407 D CB 0.256 40.972 40.800 -0.140 0.000 1.025 407 D HN 0.101 nan 8.370 nan 0.000 0.486 408 L N -0.626 120.454 121.223 -0.237 0.000 2.046 408 L HA -0.175 4.159 4.340 -0.009 0.000 0.208 408 L C 1.416 178.180 176.870 -0.177 0.000 1.077 408 L CA 1.399 56.070 54.840 -0.281 0.000 0.747 408 L CB -0.010 41.742 42.059 -0.512 0.000 0.896 408 L HN 0.236 nan 8.230 nan 0.000 0.432 409 Y N -1.949 118.287 120.300 -0.106 0.000 2.478 409 Y HA -0.035 4.510 4.550 -0.008 0.000 0.261 409 Y C 2.390 178.221 175.900 -0.115 0.000 1.127 409 Y CA 0.456 58.493 58.100 -0.106 0.000 1.288 409 Y CB 0.223 38.630 38.460 -0.088 0.000 1.084 409 Y HN 0.245 nan 8.280 nan 0.000 0.530 410 T N -4.337 110.207 114.554 -0.016 0.000 3.044 410 T HA 0.026 4.370 4.350 -0.009 0.000 0.250 410 T C 1.604 176.220 174.700 -0.140 0.000 1.081 410 T CA 0.208 62.268 62.100 -0.067 0.000 1.040 410 T CB -0.429 68.381 68.868 -0.097 0.000 0.962 410 T HN 0.048 nan 8.240 nan 0.000 0.506 411 V N 2.004 121.792 119.914 -0.209 0.000 2.548 411 V HA 0.054 4.168 4.120 -0.009 0.000 0.249 411 V C 2.923 178.915 176.094 -0.171 0.000 1.055 411 V CA 1.772 63.884 62.300 -0.313 0.000 1.065 411 V CB -1.201 30.368 31.823 -0.423 0.000 0.681 411 V HN 0.656 nan 8.190 nan 0.000 0.462 412 G N -0.027 108.690 108.800 -0.138 0.000 2.446 412 G HA2 -0.276 3.679 3.960 -0.009 0.000 0.217 412 G HA3 -0.276 3.679 3.960 -0.009 0.000 0.217 412 G C 1.802 176.689 174.900 -0.022 0.000 1.168 412 G CA 1.158 46.184 45.100 -0.123 0.000 0.771 412 G HN 0.591 nan 8.290 nan 0.000 0.551 413 A N 1.692 124.505 122.820 -0.012 0.000 1.873 413 A HA -0.204 4.111 4.320 -0.009 0.000 0.218 413 A C 2.242 179.794 177.584 -0.053 0.000 1.193 413 A CA 2.306 54.336 52.037 -0.012 0.000 0.629 413 A CB -0.752 18.238 19.000 -0.016 0.000 0.826 413 A HN 0.471 nan 8.150 nan 0.000 0.447 414 N N -0.007 118.661 118.700 -0.053 0.000 2.142 414 N HA -0.031 4.704 4.740 -0.009 0.000 0.186 414 N C 1.545 177.030 175.510 -0.043 0.000 1.023 414 N CA 1.257 54.281 53.050 -0.044 0.000 0.852 414 N CB -0.380 38.097 38.487 -0.018 0.000 0.998 414 N HN 0.442 nan 8.380 nan 0.000 0.424 415 L N 0.332 121.549 121.223 -0.009 0.000 2.127 415 L HA -0.167 4.168 4.340 -0.009 0.000 0.211 415 L C 2.215 179.108 176.870 0.039 0.000 1.089 415 L CA 1.446 56.299 54.840 0.022 0.000 0.757 415 L CB -0.682 41.404 42.059 0.045 0.000 0.899 415 L HN 0.511 nan 8.230 nan 0.000 0.434 416 T N -4.935 109.648 114.554 0.049 0.000 2.953 416 T HA 0.210 4.554 4.350 -0.009 0.000 0.247 416 T C 1.468 176.149 174.700 -0.033 0.000 1.029 416 T CA 0.714 62.898 62.100 0.141 0.000 1.144 416 T CB 0.489 69.491 68.868 0.223 0.000 0.870 416 T HN 0.369 nan 8.240 nan 0.000 0.446 417 G N 1.068 109.677 108.800 -0.319 0.000 2.205 417 G HA2 -0.089 3.865 3.960 -0.009 0.000 0.180 417 G HA3 -0.089 3.865 3.960 -0.009 0.000 0.180 417 G C -0.040 174.340 174.900 -0.867 0.000 1.004 417 G CA -0.245 44.480 45.100 -0.624 0.000 0.670 417 G HN 0.594 nan 8.290 nan 0.000 0.496 418 L N 2.529 123.317 121.223 -0.726 0.000 2.483 418 L HA 0.310 4.644 4.340 -0.009 0.000 0.276 418 L C -1.363 175.339 176.870 -0.280 0.000 1.213 418 L CA -1.487 53.012 54.840 -0.568 0.000 0.843 418 L CB 0.108 42.039 42.059 -0.214 0.000 1.107 418 L HN 0.018 nan 8.230 nan 0.000 0.487 419 P HA 0.194 nan 4.420 nan 0.000 0.276 419 P C -1.208 176.078 177.300 -0.023 0.000 1.230 419 P CA -0.241 62.813 63.100 -0.077 0.000 0.776 419 P CB 1.247 32.919 31.700 -0.047 0.000 0.888 420 A N 4.492 127.319 122.820 0.011 0.000 2.398 420 A HA 0.591 4.906 4.320 -0.009 0.000 0.301 420 A C -1.310 176.314 177.584 0.068 0.000 1.041 420 A CA -0.719 51.344 52.037 0.044 0.000 0.711 420 A CB 1.356 20.377 19.000 0.036 0.000 1.240 420 A HN 0.559 nan 8.150 nan 0.000 0.420 421 L N 2.026 123.313 121.223 0.107 0.000 2.329 421 L HA 0.746 5.080 4.340 -0.009 0.000 0.279 421 L C -0.323 176.677 176.870 0.217 0.000 1.014 421 L CA -0.179 54.755 54.840 0.158 0.000 0.814 421 L CB 1.886 44.044 42.059 0.166 0.000 1.257 421 L HN 0.703 nan 8.230 nan 0.000 0.424 422 S N 5.623 121.445 115.700 0.203 0.000 2.474 422 S HA 0.649 5.113 4.470 -0.009 0.000 0.321 422 S C -0.753 173.975 174.600 0.214 0.000 1.080 422 S CA -0.598 57.677 58.200 0.127 0.000 1.106 422 S CB 0.181 63.389 63.200 0.013 0.000 0.984 422 S HN 0.422 nan 8.310 nan 0.000 0.464 423 F N 3.042 123.004 119.950 0.019 0.000 2.546 423 F HA 0.826 5.348 4.527 -0.009 0.000 0.320 423 F C -2.992 172.691 175.800 -0.196 0.000 1.076 423 F CA -3.001 54.979 58.000 -0.034 0.000 0.928 423 F CB 0.460 39.588 39.000 0.212 0.000 1.189 423 F HN 0.247 nan 8.300 nan 0.000 0.465 424 P HA 0.271 nan 4.420 nan 0.000 0.268 424 P C -0.366 176.853 177.300 -0.135 0.000 1.205 424 P CA 0.089 63.012 63.100 -0.295 0.000 0.771 424 P CB 1.339 32.866 31.700 -0.288 0.000 0.858 425 A N 1.972 124.653 122.820 -0.231 0.000 2.622 425 A HA 0.632 4.947 4.320 -0.009 0.000 0.283 425 A C 0.492 178.029 177.584 -0.079 0.000 0.998 425 A CA 0.459 52.474 52.037 -0.036 0.000 0.985 425 A CB -0.233 18.659 19.000 -0.182 0.000 1.236 425 A HN 0.716 nan 8.150 nan 0.000 0.559 426 G N -0.907 107.709 108.800 -0.307 0.000 2.320 426 G HA2 0.388 4.343 3.960 -0.009 0.000 0.274 426 G HA3 0.388 4.343 3.960 -0.009 0.000 0.274 426 G C -1.503 172.944 174.900 -0.756 0.000 1.324 426 G CA -0.562 44.355 45.100 -0.305 0.000 0.957 426 G HN 0.568 nan 8.290 nan 0.000 0.481 427 F N 0.087 120.023 119.950 -0.023 0.000 2.605 427 F HA 0.510 5.032 4.527 -0.009 0.000 0.320 427 F C 0.122 175.878 175.800 -0.073 0.000 1.159 427 F CA -0.572 57.387 58.000 -0.069 0.000 0.999 427 F CB 2.698 41.662 39.000 -0.059 0.000 1.258 427 F HN 0.532 nan 8.300 nan 0.000 0.464 428 E N 2.555 122.785 120.200 0.050 0.000 2.261 428 E HA 0.433 4.777 4.350 -0.009 0.000 0.308 428 E C 0.420 176.971 176.600 -0.081 0.000 1.400 428 E CA -0.026 56.368 56.400 -0.011 0.000 1.542 428 E CB -0.126 29.552 29.700 -0.036 0.000 1.369 428 E HN 0.914 nan 8.360 nan 0.000 0.493 429 G N 3.981 112.753 108.800 -0.047 0.000 2.636 429 G HA2 -0.292 3.662 3.960 -0.009 0.000 0.261 429 G HA3 -0.292 3.662 3.960 -0.009 0.000 0.261 429 G C 0.153 174.812 174.900 -0.403 0.000 1.018 429 G CA 0.681 45.696 45.100 -0.141 0.000 1.308 429 G HN 1.159 nan 8.290 nan 0.000 0.514 430 H N -2.701 116.361 119.070 -0.014 0.000 3.284 430 H HA -0.238 4.313 4.556 -0.009 0.000 0.257 430 H C 0.082 175.431 175.328 0.035 0.000 1.091 430 H CA 1.757 57.761 56.048 -0.074 0.000 1.190 430 H CB -1.794 27.942 29.762 -0.042 0.000 1.268 430 H HN 1.000 nan 8.280 nan 0.000 0.322 431 L N 0.738 121.923 121.223 -0.064 0.000 2.305 431 L HA 0.475 4.809 4.340 -0.009 0.000 0.284 431 L C -2.264 174.644 176.870 0.063 0.000 1.013 431 L CA -2.084 52.738 54.840 -0.031 0.000 0.819 431 L CB 1.802 43.759 42.059 -0.170 0.000 1.227 431 L HN -0.074 nan 8.230 nan 0.000 0.417 432 P HA 0.059 nan 4.420 nan 0.000 0.266 432 P C -0.668 176.460 177.300 -0.285 0.000 1.215 432 P CA 0.044 62.914 63.100 -0.382 0.000 0.763 432 P CB 0.855 32.258 31.700 -0.494 0.000 0.806 433 V N 4.118 123.817 119.914 -0.358 0.000 2.581 433 V HA 0.767 4.882 4.120 -0.009 0.000 0.303 433 V C 0.754 176.685 176.094 -0.271 0.000 1.041 433 V CA -0.242 61.930 62.300 -0.212 0.000 0.907 433 V CB 1.981 33.713 31.823 -0.153 0.000 0.994 433 V HN 0.691 nan 8.190 nan 0.000 0.442 434 G N 3.379 112.050 108.800 -0.215 0.000 2.481 434 G HA2 0.758 4.712 3.960 -0.009 0.000 0.315 434 G HA3 0.758 4.712 3.960 -0.009 0.000 0.315 434 G C -1.492 173.186 174.900 -0.370 0.000 1.231 434 G CA -0.633 44.276 45.100 -0.318 0.000 0.968 434 G HN 0.569 nan 8.290 nan 0.000 0.482 435 L N 0.092 120.910 121.223 -0.676 0.000 2.333 435 L HA 0.561 4.895 4.340 -0.009 0.000 0.269 435 L C -0.165 176.360 176.870 -0.574 0.000 1.010 435 L CA -0.836 53.607 54.840 -0.662 0.000 0.818 435 L CB 2.557 44.124 42.059 -0.821 0.000 1.306 435 L HN 0.483 nan 8.230 nan 0.000 0.430 436 Q N 2.718 122.402 119.800 -0.193 0.000 2.333 436 Q HA 0.493 4.827 4.340 -0.009 0.000 0.268 436 Q C -1.648 174.429 176.000 0.129 0.000 1.007 436 Q CA -0.520 55.285 55.803 0.002 0.000 0.810 436 Q CB 1.833 30.566 28.738 -0.009 0.000 1.264 436 Q HN 0.568 nan 8.270 nan 0.000 0.452 437 L N 4.773 126.138 121.223 0.236 0.000 2.307 437 L HA 0.479 4.814 4.340 -0.009 0.000 0.282 437 L C -1.079 175.857 176.870 0.111 0.000 1.051 437 L CA -0.751 54.188 54.840 0.164 0.000 0.804 437 L CB 1.200 43.343 42.059 0.140 0.000 1.197 437 L HN 0.618 nan 8.230 nan 0.000 0.431 438 L N 3.247 124.533 121.223 0.106 0.000 2.354 438 L HA 0.808 5.142 4.340 -0.009 0.000 0.269 438 L C -0.216 176.749 176.870 0.159 0.000 1.005 438 L CA -0.033 54.893 54.840 0.143 0.000 0.819 438 L CB 1.955 44.148 42.059 0.223 0.000 1.311 438 L HN 0.661 nan 8.230 nan 0.000 0.423 439 A N 2.573 125.415 122.820 0.037 0.000 2.532 439 A HA 0.990 5.304 4.320 -0.009 0.000 0.290 439 A C -2.839 174.377 177.584 -0.613 0.000 1.143 439 A CA -1.711 50.215 52.037 -0.184 0.000 0.728 439 A CB 1.413 20.332 19.000 -0.134 0.000 1.317 439 A HN 0.439 nan 8.150 nan 0.000 0.414 440 P HA 0.163 nan 4.420 nan 0.000 0.272 440 P C -0.894 176.258 177.300 -0.246 0.000 1.240 440 P CA -0.099 62.468 63.100 -0.888 0.000 0.791 440 P CB 0.215 31.504 31.700 -0.685 0.000 0.978 441 W N 0.970 122.120 121.300 -0.251 0.000 2.409 441 W HA 0.277 4.930 4.660 -0.010 0.000 0.338 441 W C 1.702 178.161 176.519 -0.100 0.000 1.273 441 W CA 2.103 59.383 57.345 -0.107 0.000 1.299 441 W CB -1.354 28.077 29.460 -0.048 0.000 1.192 441 W HN 0.793 nan 8.180 nan 0.000 0.565 442 G N 1.782 110.650 108.800 0.113 0.000 2.205 442 G HA2 -0.360 3.594 3.960 -0.009 0.000 0.261 442 G HA3 -0.360 3.594 3.960 -0.009 0.000 0.261 442 G C 0.632 175.513 174.900 -0.032 0.000 0.980 442 G CA 0.267 45.399 45.100 0.055 0.000 0.632 442 G HN 0.585 nan 8.290 nan 0.000 0.533 443 E N 1.019 121.183 120.200 -0.061 0.000 2.304 443 E HA 0.153 4.497 4.350 -0.009 0.000 0.212 443 E C 0.988 177.533 176.600 -0.092 0.000 1.185 443 E CA -0.086 56.254 56.400 -0.100 0.000 1.326 443 E CB 0.049 29.678 29.700 -0.119 0.000 1.283 443 E HN 0.490 nan 8.360 nan 0.000 0.440 444 D N 1.516 121.877 120.400 -0.065 0.000 2.106 444 D HA -0.222 4.413 4.640 -0.009 0.000 0.191 444 D C 1.277 177.570 176.300 -0.012 0.000 0.997 444 D CA 1.414 55.434 54.000 0.033 0.000 0.834 444 D CB 0.130 41.066 40.800 0.227 0.000 0.956 444 D HN 0.291 nan 8.370 nan 0.000 0.448 445 E N 0.448 120.473 120.200 -0.292 0.000 2.209 445 E HA -0.161 4.183 4.350 -0.009 0.000 0.196 445 E C 2.038 178.571 176.600 -0.112 0.000 0.993 445 E CA 0.610 56.825 56.400 -0.309 0.000 0.819 445 E CB -0.175 29.232 29.700 -0.488 0.000 0.745 445 E HN 0.246 nan 8.360 nan 0.000 0.477 446 R N 0.709 121.150 120.500 -0.099 0.000 2.062 446 R HA -0.113 4.222 4.340 -0.009 0.000 0.229 446 R C 2.035 178.315 176.300 -0.033 0.000 1.128 446 R CA 1.316 57.378 56.100 -0.063 0.000 0.960 446 R CB -0.219 30.040 30.300 -0.069 0.000 0.855 446 R HN 0.283 nan 8.270 nan 0.000 0.432 447 L N -0.422 120.787 121.223 -0.022 0.000 2.201 447 L HA -0.004 4.330 4.340 -0.009 0.000 0.212 447 L C 1.970 178.839 176.870 -0.002 0.000 1.105 447 L CA 1.440 56.273 54.840 -0.011 0.000 0.775 447 L CB -0.819 41.242 42.059 0.004 0.000 0.913 447 L HN 0.135 nan 8.230 nan 0.000 0.440 448 L N -0.362 120.878 121.223 0.029 0.000 2.056 448 L HA -0.127 4.207 4.340 -0.009 0.000 0.207 448 L C 3.023 179.889 176.870 -0.008 0.000 1.078 448 L CA 1.503 56.358 54.840 0.025 0.000 0.749 448 L CB -0.422 41.706 42.059 0.115 0.000 0.901 448 L HN 0.381 nan 8.230 nan 0.000 0.433 449 R N 0.264 120.763 120.500 -0.002 0.000 2.083 449 R HA -0.212 4.123 4.340 -0.009 0.000 0.237 449 R C 2.306 178.609 176.300 0.005 0.000 1.137 449 R CA 1.680 57.777 56.100 -0.006 0.000 0.951 449 R CB -0.266 30.026 30.300 -0.014 0.000 0.851 449 R HN 0.345 nan 8.270 nan 0.000 0.434 450 A N 0.605 123.430 122.820 0.009 0.000 1.940 450 A HA -0.131 4.183 4.320 -0.009 0.000 0.219 450 A C 2.350 179.964 177.584 0.049 0.000 1.176 450 A CA 1.767 53.834 52.037 0.050 0.000 0.631 450 A CB -0.776 18.237 19.000 0.021 0.000 0.814 450 A HN 0.570 nan 8.150 nan 0.000 0.446 451 A N -0.490 122.303 122.820 -0.045 0.000 1.933 451 A HA -0.037 4.278 4.320 -0.009 0.000 0.218 451 A C 2.185 179.753 177.584 -0.026 0.000 1.175 451 A CA 1.396 53.358 52.037 -0.126 0.000 0.628 451 A CB -0.538 18.373 19.000 -0.149 0.000 0.814 451 A HN 0.515 nan 8.150 nan 0.000 0.444 452 L N -0.684 120.524 121.223 -0.024 0.000 1.994 452 L HA -0.222 4.113 4.340 -0.009 0.000 0.208 452 L C 3.009 179.896 176.870 0.029 0.000 1.071 452 L CA 1.576 56.411 54.840 -0.009 0.000 0.745 452 L CB -0.595 41.452 42.059 -0.020 0.000 0.892 452 L HN 0.453 nan 8.230 nan 0.000 0.431 453 A N -0.362 122.483 122.820 0.041 0.000 1.892 453 A HA -0.337 3.977 4.320 -0.009 0.000 0.218 453 A C 2.116 179.710 177.584 0.017 0.000 1.188 453 A CA 2.143 54.202 52.037 0.038 0.000 0.631 453 A CB -1.073 17.970 19.000 0.072 0.000 0.822 453 A HN 0.530 nan 8.150 nan 0.000 0.447 454 F N 0.448 120.322 119.950 -0.127 0.000 2.075 454 F HA -0.154 4.367 4.527 -0.010 0.000 0.297 454 F C 2.329 178.077 175.800 -0.087 0.000 1.113 454 F CA 2.243 60.111 58.000 -0.221 0.000 1.218 454 F CB -0.311 38.477 39.000 -0.353 0.000 0.984 454 F HN 0.448 nan 8.300 nan 0.000 0.472 455 E N 0.192 120.522 120.200 0.217 0.000 2.049 455 E HA -0.300 4.044 4.350 -0.009 0.000 0.198 455 E C 2.095 178.711 176.600 0.027 0.000 1.007 455 E CA 2.019 58.528 56.400 0.182 0.000 0.809 455 E CB -0.317 29.516 29.700 0.222 0.000 0.749 455 E HN 0.609 nan 8.360 nan 0.000 0.450 456 E N -0.227 119.974 120.200 0.002 0.000 2.110 456 E HA -0.159 4.185 4.350 -0.009 0.000 0.193 456 E C 1.971 178.529 176.600 -0.071 0.000 0.988 456 E CA 0.756 57.143 56.400 -0.022 0.000 0.804 456 E CB -0.128 29.564 29.700 -0.014 0.000 0.745 456 E HN 0.379 nan 8.360 nan 0.000 0.458 457 A N 0.990 123.729 122.820 -0.134 0.000 2.125 457 A HA -0.096 4.218 4.320 -0.009 0.000 0.219 457 A C 1.351 178.812 177.584 -0.205 0.000 1.156 457 A CA 1.561 53.488 52.037 -0.183 0.000 0.671 457 A CB -0.415 18.426 19.000 -0.264 0.000 0.794 457 A HN 0.364 nan 8.150 nan 0.000 0.459 458 T N -6.104 108.324 114.554 -0.210 0.000 2.654 458 T HA 0.671 5.015 4.350 -0.009 0.000 0.289 458 T C -0.151 174.511 174.700 -0.063 0.000 1.062 458 T CA -0.071 61.935 62.100 -0.156 0.000 1.041 458 T CB 1.563 70.284 68.868 -0.245 0.000 1.417 458 T HN 0.775 nan 8.240 nan 0.000 0.510 459 A N 0.048 122.857 122.820 -0.018 0.000 2.610 459 A HA 0.480 4.794 4.320 -0.009 0.000 0.290 459 A C 0.534 178.127 177.584 0.015 0.000 1.001 459 A CA -0.514 51.532 52.037 0.015 0.000 1.004 459 A CB -0.157 18.852 19.000 0.016 0.000 1.220 459 A HN 0.693 nan 8.150 nan 0.000 0.507 460 R N 1.213 121.741 120.500 0.046 0.000 2.612 460 R HA 0.543 4.877 4.340 -0.009 0.000 0.273 460 R C -0.535 175.810 176.300 0.074 0.000 1.376 460 R CA 0.628 56.779 56.100 0.086 0.000 1.171 460 R CB -0.272 30.120 30.300 0.152 0.000 1.151 460 R HN 0.452 nan 8.270 nan 0.000 0.560 461 A N 4.310 127.085 122.820 -0.075 0.000 2.513 461 A HA 0.445 4.760 4.320 -0.009 0.000 0.296 461 A C -1.629 175.836 177.584 -0.198 0.000 1.052 461 A CA -0.813 51.227 52.037 0.005 0.000 0.714 461 A CB 1.201 20.231 19.000 0.049 0.000 1.279 461 A HN 0.721 nan 8.150 nan 0.000 0.397 462 H N 0.308 119.618 119.070 0.399 0.000 2.865 462 H HA 0.757 5.307 4.556 -0.009 0.000 0.372 462 H C -0.440 175.107 175.328 0.364 0.000 1.173 462 H CA -0.086 56.164 56.048 0.336 0.000 1.147 462 H CB 1.804 31.735 29.762 0.282 0.000 1.805 462 H HN 1.085 nan 8.280 nan 0.000 0.553 463 L N 0.686 122.082 121.223 0.288 0.000 2.305 463 L HA 0.581 4.915 4.340 -0.009 0.000 0.284 463 L C 1.334 178.107 176.870 -0.162 0.000 1.013 463 L CA -0.119 54.765 54.840 0.073 0.000 0.819 463 L CB -0.191 41.904 42.059 0.060 0.000 1.227 463 L HN 0.910 nan 8.230 nan 0.000 0.417 464 K N 2.351 122.373 120.400 -0.630 0.000 2.032 464 K HA 0.474 4.788 4.320 -0.009 0.000 0.209 464 K C 1.127 177.558 176.600 -0.282 0.000 1.048 464 K CA 1.889 57.776 56.287 -0.668 0.000 0.927 464 K CB -0.548 31.311 32.500 -1.069 0.000 0.712 464 K HN 2.266 nan 8.250 nan 0.000 0.441 465 A N -0.167 122.533 122.820 -0.200 0.000 2.269 465 A HA 0.686 5.001 4.320 -0.009 0.000 0.327 465 A C -1.748 175.801 177.584 -0.058 0.000 1.112 465 A CA -0.812 51.165 52.037 -0.100 0.000 0.865 465 A CB 0.603 19.563 19.000 -0.066 0.000 1.227 465 A HN 0.492 nan 8.150 nan 0.000 0.498 466 P HA 0.519 nan 4.420 nan 0.000 0.268 466 P C -0.505 176.783 177.300 -0.019 0.000 1.208 466 P CA 1.098 64.181 63.100 -0.028 0.000 0.777 466 P CB 0.236 31.916 31.700 -0.033 0.000 0.875 467 L N 2.199 123.414 121.223 -0.014 0.000 2.356 467 L HA 0.891 5.225 4.340 -0.009 0.000 0.277 467 L C 0.707 177.546 176.870 -0.053 0.000 0.996 467 L CA -0.253 54.580 54.840 -0.011 0.000 0.822 467 L CB 1.454 43.530 42.059 0.028 0.000 1.256 467 L HN 0.883 nan 8.230 nan 0.000 0.413 468 G N 0.000 108.724 108.800 -0.126 0.000 5.446 468 G HA2 0.000 3.954 3.960 -0.009 0.000 0.244 468 G HA3 0.000 3.954 3.960 -0.009 0.000 0.244 468 G CA 0.000 44.989 45.100 -0.185 0.000 0.502 468 G HN 0.000 nan 8.290 nan 0.000 0.925