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 3nne_1_C DATA FIRST_RESID 1 DATA SEQUENCE MHIDNIENLS DREFDYIVVG GGSAGAAVAA RLSEDPAVSV ALVEAGPDDR DATA SEQUENCE GVPEVLQLDR WMELLESGYD WDYPIEPQEN GNSFMRHARA KVMGGCSSHN DATA SEQUENCE ACIAFWAPRE DLDEWEAKYG ATGWNAEAAW PLYKRLETNE DAGPDAPHHG DATA SEQUENCE DSGPVHLMNV PPKDPTGVAL LDACEQAGIP RAKFNTGTTV VNGANFFQIN DATA SEQUENCE RRADGTRSSS SVSYIHPIVE QENFTLLTGL RARQLVFDAD RRCTGVDIVD DATA SEQUENCE SAFGHTHRLT ARNEVVLSTG AIDTPKLLML SGIGPAAHLA EHGIEVLVDS DATA SEQUENCE PGVGEHLQDH PEGVVQFEAK QPMVAESTQW WEIGIFTPTE DGLDRPDLMM DATA SEQUENCE HYGSVPFDMN TLRHGYPTTE NGFSLTPNVT HARSRGTVRL RSRDFRDKPM DATA SEQUENCE VDPRYFTDPE GHDMRVMVAG IRKAREIAAQ PAMAEWTGRE LSPGVEAQTD DATA SEQUENCE EELQDYIRKT HNTVYHPVGT VRMGAVEDEM SPLDPELRVK GVTGLRVADA DATA SEQUENCE SVMPEHVTVN PNITVMMIGE RCADLIRS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.345 55.300 0.075 0.000 0.988 1 M CB 0.000 32.625 32.600 0.041 0.000 1.302 2 H N 3.969 123.035 119.070 -0.005 0.000 2.594 2 H HA 0.474 5.028 4.556 -0.003 0.000 0.304 2 H C -1.514 173.799 175.328 -0.025 0.000 1.068 2 H CA -0.545 55.490 56.048 -0.021 0.000 1.308 2 H CB 0.887 30.654 29.762 0.007 0.000 1.409 2 H HN 0.441 nan 8.280 nan 0.000 0.460 3 I N 6.166 126.588 120.570 -0.247 0.000 2.330 3 I HA -0.009 4.160 4.170 -0.003 0.000 0.289 3 I C 0.423 176.325 176.117 -0.359 0.000 1.001 3 I CA -0.510 60.619 61.300 -0.285 0.000 1.193 3 I CB 1.299 39.228 38.000 -0.118 0.000 1.345 3 I HN 0.774 nan 8.210 nan 0.000 0.461 4 D N 3.541 123.691 120.400 -0.418 0.000 2.349 4 D HA -0.010 4.629 4.640 -0.003 0.000 0.214 4 D C 0.374 176.618 176.300 -0.093 0.000 1.063 4 D CA 0.212 54.088 54.000 -0.207 0.000 0.847 4 D CB 0.186 40.890 40.800 -0.159 0.000 0.933 4 D HN 0.320 nan 8.370 nan 0.000 0.513 5 N N 0.719 119.356 118.700 -0.105 0.000 2.577 5 N HA 0.112 4.850 4.740 -0.003 0.000 0.275 5 N C 0.494 175.952 175.510 -0.086 0.000 1.091 5 N CA -0.583 52.426 53.050 -0.069 0.000 0.843 5 N CB 0.781 39.235 38.487 -0.055 0.000 1.295 5 N HN -0.165 nan 8.380 nan 0.000 0.530 6 I N 2.229 122.739 120.570 -0.100 0.000 2.300 6 I HA -0.241 3.927 4.170 -0.003 0.000 0.252 6 I C 1.201 177.210 176.117 -0.180 0.000 1.119 6 I CA 1.593 62.796 61.300 -0.163 0.000 1.384 6 I CB -0.045 37.790 38.000 -0.275 0.000 1.062 6 I HN 0.663 nan 8.210 nan 0.000 0.426 7 E N 0.082 120.191 120.200 -0.151 0.000 2.338 7 E HA -0.177 4.171 4.350 -0.003 0.000 0.197 7 E C 1.561 178.114 176.600 -0.077 0.000 1.007 7 E CA 0.452 56.783 56.400 -0.115 0.000 0.849 7 E CB -0.030 29.629 29.700 -0.069 0.000 0.774 7 E HN 0.596 nan 8.360 nan 0.000 0.506 8 N N 1.315 119.972 118.700 -0.071 0.000 2.047 8 N HA -0.120 4.619 4.740 -0.003 0.000 0.193 8 N C 0.839 176.317 175.510 -0.054 0.000 1.055 8 N CA 0.303 53.319 53.050 -0.056 0.000 0.847 8 N CB -0.808 37.645 38.487 -0.057 0.000 1.038 8 N HN 0.083 nan 8.380 nan 0.000 0.427 9 L N 1.712 122.902 121.223 -0.054 0.000 2.877 9 L HA -0.159 4.179 4.340 -0.003 0.000 0.287 9 L C 1.490 178.330 176.870 -0.050 0.000 1.112 9 L CA 0.402 55.219 54.840 -0.038 0.000 0.986 9 L CB -0.126 41.923 42.059 -0.016 0.000 1.384 9 L HN 0.132 nan 8.230 nan 0.000 0.460 10 S N 2.726 118.396 115.700 -0.051 0.000 2.341 10 S HA -0.040 4.429 4.470 -0.003 0.000 0.216 10 S C 0.557 175.108 174.600 -0.082 0.000 1.034 10 S CA 0.572 58.736 58.200 -0.060 0.000 0.964 10 S CB -0.020 63.148 63.200 -0.054 0.000 0.882 10 S HN 0.847 nan 8.310 nan 0.000 0.469 11 D N 0.649 120.980 120.400 -0.116 0.000 2.277 11 D HA 0.303 4.942 4.640 -0.003 0.000 0.249 11 D C 0.152 176.276 176.300 -0.292 0.000 1.134 11 D CA -0.018 53.866 54.000 -0.193 0.000 0.863 11 D CB 0.764 41.430 40.800 -0.223 0.000 1.143 11 D HN 0.220 nan 8.370 nan 0.000 0.458 12 R N 2.430 122.764 120.500 -0.278 0.000 2.629 12 R HA 0.183 4.521 4.340 -0.003 0.000 0.386 12 R C -0.164 175.966 176.300 -0.284 0.000 1.071 12 R CA -0.278 55.701 56.100 -0.202 0.000 1.104 12 R CB 0.715 31.002 30.300 -0.022 0.000 1.370 12 R HN 0.420 nan 8.270 nan 0.000 0.574 13 E N 0.762 120.605 120.200 -0.594 0.000 2.171 13 E HA 0.383 4.731 4.350 -0.003 0.000 0.271 13 E C -1.227 174.914 176.600 -0.765 0.000 0.916 13 E CA -0.584 55.560 56.400 -0.426 0.000 0.774 13 E CB 0.829 30.374 29.700 -0.258 0.000 1.128 13 E HN -0.127 nan 8.360 nan 0.000 0.403 14 F N 1.506 121.425 119.950 -0.051 0.000 2.613 14 F HA 0.285 4.810 4.527 -0.003 0.000 0.314 14 F C 0.979 176.724 175.800 -0.091 0.000 1.075 14 F CA -0.958 57.016 58.000 -0.045 0.000 0.945 14 F CB 1.106 40.096 39.000 -0.015 0.000 1.310 14 F HN 0.378 nan 8.300 nan 0.000 0.467 15 D N -0.093 120.350 120.400 0.072 0.000 2.117 15 D HA -0.151 4.488 4.640 -0.003 0.000 0.197 15 D C -0.362 175.678 176.300 -0.434 0.000 0.987 15 D CA 2.080 55.959 54.000 -0.202 0.000 0.829 15 D CB -0.026 40.654 40.800 -0.201 0.000 0.961 15 D HN 0.374 nan 8.370 nan 0.000 0.460 16 Y N -0.571 119.800 120.300 0.118 0.000 2.406 16 Y HA 0.448 4.997 4.550 -0.003 0.000 0.340 16 Y C -0.087 175.824 175.900 0.018 0.000 0.975 16 Y CA -0.725 57.411 58.100 0.059 0.000 1.056 16 Y CB 2.121 40.608 38.460 0.046 0.000 1.210 16 Y HN -0.310 nan 8.280 nan 0.000 0.448 17 I N 4.506 125.163 120.570 0.145 0.000 2.418 17 I HA 0.414 4.582 4.170 -0.003 0.000 0.287 17 I C -1.028 175.109 176.117 0.034 0.000 1.008 17 I CA -0.988 60.324 61.300 0.020 0.000 1.104 17 I CB 1.590 39.583 38.000 -0.013 0.000 1.264 17 I HN 0.251 nan 8.210 nan 0.000 0.438 18 V N 7.235 127.149 119.914 0.001 0.000 2.435 18 V HA 0.393 4.512 4.120 -0.003 0.000 0.290 18 V C -0.078 176.008 176.094 -0.013 0.000 1.030 18 V CA -0.641 61.661 62.300 0.004 0.000 0.881 18 V CB 2.225 34.053 31.823 0.008 0.000 0.983 18 V HN 0.382 nan 8.190 nan 0.000 0.445 19 V N 3.560 123.469 119.914 -0.007 0.000 2.378 19 V HA 0.877 4.995 4.120 -0.003 0.000 0.288 19 V C 0.417 176.517 176.094 0.011 0.000 1.016 19 V CA 0.137 62.434 62.300 -0.005 0.000 0.840 19 V CB 0.973 32.787 31.823 -0.014 0.000 0.994 19 V HN 1.279 nan 8.190 nan 0.000 0.431 20 G N 3.434 112.253 108.800 0.033 0.000 3.380 20 G HA2 0.065 4.024 3.960 -0.003 0.000 0.685 20 G HA3 0.065 4.024 3.960 -0.003 0.000 0.685 20 G C 0.273 175.202 174.900 0.049 0.000 1.136 20 G CA -0.467 44.666 45.100 0.055 0.000 1.011 20 G HN 1.341 nan 8.290 nan 0.000 0.471 21 G N 0.957 109.798 108.800 0.068 0.000 3.452 21 G HA2 0.604 4.562 3.960 -0.003 0.000 0.258 21 G HA3 0.604 4.562 3.960 -0.003 0.000 0.258 21 G C 0.992 175.926 174.900 0.057 0.000 1.305 21 G CA 0.969 46.107 45.100 0.064 0.000 1.514 21 G HN 1.234 nan 8.290 nan 0.000 0.593 22 G N 0.010 108.837 108.800 0.045 0.000 2.543 22 G HA2 0.369 4.327 3.960 -0.003 0.000 0.267 22 G HA3 0.369 4.327 3.960 -0.003 0.000 0.267 22 G C 1.314 176.226 174.900 0.021 0.000 1.406 22 G CA 0.454 45.578 45.100 0.040 0.000 1.048 22 G HN 0.214 nan 8.290 nan 0.000 0.548 23 S N 0.141 115.856 115.700 0.025 0.000 2.380 23 S HA -0.255 4.213 4.470 -0.003 0.000 0.229 23 S C 2.684 177.276 174.600 -0.014 0.000 1.050 23 S CA 2.045 60.261 58.200 0.027 0.000 1.100 23 S CB -0.760 62.460 63.200 0.034 0.000 0.984 23 S HN 0.847 nan 8.310 nan 0.000 0.434 24 A N 1.660 124.464 122.820 -0.027 0.000 1.840 24 A HA 0.201 4.520 4.320 -0.003 0.000 0.214 24 A C 2.454 179.979 177.584 -0.099 0.000 1.198 24 A CA 1.609 53.608 52.037 -0.062 0.000 0.608 24 A CB -1.626 17.352 19.000 -0.036 0.000 0.839 24 A HN 0.534 nan 8.150 nan 0.000 0.443 25 G N -0.352 108.413 108.800 -0.058 0.000 2.469 25 G HA2 -0.072 3.887 3.960 -0.003 0.000 0.219 25 G HA3 -0.072 3.887 3.960 -0.003 0.000 0.219 25 G C 1.721 176.574 174.900 -0.078 0.000 1.150 25 G CA 1.760 46.829 45.100 -0.051 0.000 0.763 25 G HN 0.822 nan 8.290 nan 0.000 0.561 26 A N 1.151 123.921 122.820 -0.083 0.000 1.873 26 A HA 0.304 4.622 4.320 -0.003 0.000 0.215 26 A C 2.868 180.250 177.584 -0.336 0.000 1.186 26 A CA 2.268 54.245 52.037 -0.100 0.000 0.616 26 A CB -0.924 18.073 19.000 -0.004 0.000 0.823 26 A HN 0.856 nan 8.150 nan 0.000 0.442 27 A N -0.378 122.072 122.820 -0.617 0.000 1.892 27 A HA -0.083 4.236 4.320 -0.003 0.000 0.218 27 A C 2.258 179.519 177.584 -0.539 0.000 1.188 27 A CA 2.139 53.510 52.037 -1.111 0.000 0.631 27 A CB -1.130 17.303 19.000 -0.945 0.000 0.822 27 A HN 0.454 nan 8.150 nan 0.000 0.447 28 V N -0.155 119.573 119.914 -0.310 0.000 2.261 28 V HA -0.247 3.871 4.120 -0.003 0.000 0.246 28 V C 3.073 179.065 176.094 -0.171 0.000 1.047 28 V CA 2.020 64.199 62.300 -0.202 0.000 1.015 28 V CB -1.504 30.243 31.823 -0.127 0.000 0.642 28 V HN 0.643 nan 8.190 nan 0.000 0.446 29 A N 0.268 123.018 122.820 -0.118 0.000 1.892 29 A HA -0.226 4.092 4.320 -0.003 0.000 0.218 29 A C 2.419 179.949 177.584 -0.091 0.000 1.188 29 A CA 2.616 54.633 52.037 -0.033 0.000 0.631 29 A CB -0.974 18.077 19.000 0.084 0.000 0.822 29 A HN 0.629 nan 8.150 nan 0.000 0.447 30 A N -1.200 121.506 122.820 -0.190 0.000 1.969 30 A HA -0.116 4.203 4.320 -0.003 0.000 0.218 30 A C 2.182 179.684 177.584 -0.137 0.000 1.169 30 A CA 1.472 53.384 52.037 -0.207 0.000 0.635 30 A CB -0.368 18.555 19.000 -0.129 0.000 0.810 30 A HN 0.376 nan 8.150 nan 0.000 0.445 31 R N -0.351 120.056 120.500 -0.155 0.000 2.090 31 R HA 0.103 4.441 4.340 -0.003 0.000 0.228 31 R C 1.935 178.169 176.300 -0.110 0.000 1.110 31 R CA 0.839 56.871 56.100 -0.113 0.000 0.973 31 R CB -0.973 29.247 30.300 -0.133 0.000 0.869 31 R HN 0.583 nan 8.270 nan 0.000 0.440 32 L N 0.359 121.497 121.223 -0.142 0.000 2.201 32 L HA -0.057 4.281 4.340 -0.003 0.000 0.212 32 L C 1.918 178.750 176.870 -0.063 0.000 1.105 32 L CA 0.876 55.614 54.840 -0.170 0.000 0.775 32 L CB -0.235 41.641 42.059 -0.305 0.000 0.913 32 L HN 0.058 nan 8.230 nan 0.000 0.440 33 S N -0.542 115.142 115.700 -0.027 0.000 2.522 33 S HA -0.105 4.364 4.470 -0.003 0.000 0.227 33 S C 1.617 176.225 174.600 0.014 0.000 0.986 33 S CA 0.537 58.755 58.200 0.029 0.000 0.929 33 S CB -0.081 63.130 63.200 0.017 0.000 0.769 33 S HN 0.433 nan 8.310 nan 0.000 0.529 34 E N 1.194 121.385 120.200 -0.014 0.000 2.265 34 E HA -0.109 4.239 4.350 -0.003 0.000 0.196 34 E C 0.386 176.993 176.600 0.012 0.000 0.996 34 E CA 0.535 56.931 56.400 -0.006 0.000 0.832 34 E CB 0.074 29.765 29.700 -0.016 0.000 0.756 34 E HN 0.257 nan 8.360 nan 0.000 0.491 35 D N 0.236 120.648 120.400 0.021 0.000 2.347 35 D HA 0.024 4.662 4.640 -0.003 0.000 0.235 35 D C -1.737 174.598 176.300 0.058 0.000 1.149 35 D CA -2.435 51.588 54.000 0.037 0.000 0.850 35 D CB 1.239 42.066 40.800 0.045 0.000 1.061 35 D HN -0.114 nan 8.370 nan 0.000 0.487 36 P HA 0.000 nan 4.420 nan 0.000 0.233 36 P C 0.853 178.194 177.300 0.068 0.000 1.167 36 P CA 0.328 63.465 63.100 0.061 0.000 0.770 36 P CB 0.220 31.948 31.700 0.048 0.000 0.837 37 A N -0.104 122.755 122.820 0.065 0.000 2.168 37 A HA 0.135 4.453 4.320 -0.003 0.000 0.215 37 A C 1.186 178.820 177.584 0.084 0.000 1.152 37 A CA 0.679 52.755 52.037 0.064 0.000 0.716 37 A CB -0.827 18.206 19.000 0.054 0.000 0.794 37 A HN 0.200 nan 8.150 nan 0.000 0.465 38 V N -2.258 117.727 119.914 0.118 0.000 2.919 38 V HA 0.752 4.871 4.120 -0.003 0.000 0.316 38 V C -0.093 176.110 176.094 0.182 0.000 1.077 38 V CA -0.478 61.921 62.300 0.164 0.000 0.977 38 V CB 1.495 33.487 31.823 0.282 0.000 1.039 38 V HN 0.349 nan 8.190 nan 0.000 0.441 39 S N 0.901 116.724 115.700 0.205 0.000 2.578 39 S HA 0.907 5.375 4.470 -0.003 0.000 0.301 39 S C -0.708 174.079 174.600 0.311 0.000 1.091 39 S CA -0.752 57.597 58.200 0.247 0.000 1.032 39 S CB 1.762 65.110 63.200 0.246 0.000 1.064 39 S HN 1.011 nan 8.310 nan 0.000 0.508 40 V N 0.930 121.012 119.914 0.280 0.000 2.623 40 V HA 0.755 4.873 4.120 -0.003 0.000 0.304 40 V C -0.259 175.796 176.094 -0.066 0.000 1.054 40 V CA -0.673 61.751 62.300 0.208 0.000 0.882 40 V CB 1.579 33.563 31.823 0.268 0.000 1.002 40 V HN 1.245 nan 8.190 nan 0.000 0.424 41 A N 4.743 127.340 122.820 -0.372 0.000 2.304 41 A HA 0.875 5.194 4.320 -0.003 0.000 0.323 41 A C -1.092 176.290 177.584 -0.336 0.000 1.195 41 A CA -0.478 51.116 52.037 -0.739 0.000 0.826 41 A CB 1.147 19.184 19.000 -1.604 0.000 1.184 41 A HN 0.814 nan 8.150 nan 0.000 0.496 42 L N 3.815 124.870 121.223 -0.280 0.000 2.287 42 L HA 0.642 4.980 4.340 -0.003 0.000 0.287 42 L C -0.781 176.022 176.870 -0.112 0.000 1.022 42 L CA -0.157 54.636 54.840 -0.077 0.000 0.814 42 L CB 1.585 43.729 42.059 0.141 0.000 1.217 42 L HN 0.411 nan 8.230 nan 0.000 0.420 43 V N 4.161 124.035 119.914 -0.067 0.000 2.459 43 V HA 0.710 4.828 4.120 -0.003 0.000 0.295 43 V C -0.560 175.544 176.094 0.017 0.000 1.029 43 V CA -0.593 61.682 62.300 -0.042 0.000 0.874 43 V CB 1.546 33.339 31.823 -0.050 0.000 0.985 43 V HN 0.798 nan 8.190 nan 0.000 0.438 44 E N 3.330 123.555 120.200 0.041 0.000 2.308 44 E HA 0.713 5.062 4.350 -0.003 0.000 0.275 44 E C 0.333 176.988 176.600 0.092 0.000 0.890 44 E CA -0.013 56.435 56.400 0.080 0.000 0.754 44 E CB 2.023 31.771 29.700 0.081 0.000 1.207 44 E HN 0.581 nan 8.360 nan 0.000 0.426 45 A N 3.486 126.389 122.820 0.139 0.000 1.930 45 A HA 0.215 4.534 4.320 -0.003 0.000 0.217 45 A C 1.256 178.852 177.584 0.021 0.000 1.175 45 A CA 1.358 53.475 52.037 0.134 0.000 0.627 45 A CB -0.861 18.328 19.000 0.315 0.000 0.815 45 A HN 0.574 nan 8.150 nan 0.000 0.443 46 G N -0.861 107.941 108.800 0.004 0.000 2.588 46 G HA2 0.475 4.434 3.960 -0.003 0.000 0.281 46 G HA3 0.475 4.434 3.960 -0.003 0.000 0.281 46 G C -2.759 172.158 174.900 0.030 0.000 1.236 46 G CA -1.128 43.943 45.100 -0.049 0.000 0.969 46 G HN 0.211 nan 8.290 nan 0.000 0.504 47 P HA 0.164 nan 4.420 nan 0.000 0.276 47 P C -0.403 176.958 177.300 0.102 0.000 1.261 47 P CA -0.678 62.486 63.100 0.107 0.000 0.800 47 P CB 0.680 32.475 31.700 0.158 0.000 1.066 48 D N 0.445 120.890 120.400 0.076 0.000 2.472 48 D HA -0.071 4.568 4.640 -0.003 0.000 0.237 48 D C 0.740 177.057 176.300 0.028 0.000 1.141 48 D CA 0.304 54.291 54.000 -0.021 0.000 0.875 48 D CB 0.430 41.140 40.800 -0.150 0.000 1.192 48 D HN 0.353 nan 8.370 nan 0.000 0.450 49 D N 2.578 122.997 120.400 0.031 0.000 2.346 49 D HA -0.071 4.567 4.640 -0.003 0.000 0.206 49 D C 0.302 176.628 176.300 0.044 0.000 1.001 49 D CA -0.047 53.978 54.000 0.043 0.000 0.871 49 D CB -0.112 40.734 40.800 0.077 0.000 0.943 49 D HN 0.253 nan 8.370 nan 0.000 0.518 50 R N 0.493 120.984 120.500 -0.014 0.000 2.537 50 R HA 0.289 4.627 4.340 -0.003 0.000 0.281 50 R C 1.235 177.524 176.300 -0.019 0.000 0.988 50 R CA 1.001 57.055 56.100 -0.077 0.000 1.077 50 R CB -0.027 30.124 30.300 -0.247 0.000 0.932 50 R HN 0.318 nan 8.270 nan 0.000 0.409 51 G N 1.595 110.397 108.800 0.003 0.000 2.168 51 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.257 51 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.257 51 G C 0.021 174.933 174.900 0.019 0.000 0.997 51 G CA 0.223 45.332 45.100 0.014 0.000 0.708 51 G HN 0.437 nan 8.290 nan 0.000 0.520 52 V N 1.722 121.636 119.914 0.001 0.000 2.277 52 V HA 0.272 4.391 4.120 -0.003 0.000 0.269 52 V C -0.219 175.848 176.094 -0.044 0.000 1.036 52 V CA -0.697 61.581 62.300 -0.036 0.000 0.821 52 V CB 1.401 33.137 31.823 -0.145 0.000 1.052 52 V HN 0.161 nan 8.190 nan 0.000 0.462 53 P HA -0.105 nan 4.420 nan 0.000 0.219 53 P C 1.051 178.354 177.300 0.005 0.000 1.150 53 P CA 0.975 64.082 63.100 0.010 0.000 0.814 53 P CB 0.642 32.359 31.700 0.028 0.000 0.787 54 E N -0.145 120.043 120.200 -0.020 0.000 2.160 54 E HA -0.102 4.246 4.350 -0.003 0.000 0.195 54 E C 2.063 178.649 176.600 -0.023 0.000 0.991 54 E CA 0.925 57.320 56.400 -0.008 0.000 0.810 54 E CB -1.098 28.593 29.700 -0.015 0.000 0.742 54 E HN 0.137 nan 8.360 nan 0.000 0.466 55 V N 0.042 119.890 119.914 -0.109 0.000 2.575 55 V HA -0.054 4.064 4.120 -0.003 0.000 0.242 55 V C 2.052 178.143 176.094 -0.004 0.000 1.045 55 V CA 0.831 63.077 62.300 -0.089 0.000 1.065 55 V CB -0.241 31.448 31.823 -0.225 0.000 0.717 55 V HN 0.189 nan 8.190 nan 0.000 0.467 56 L N -0.667 120.555 121.223 -0.002 0.000 2.044 56 L HA -0.054 4.284 4.340 -0.003 0.000 0.205 56 L C 1.439 178.337 176.870 0.048 0.000 1.075 56 L CA 1.070 55.927 54.840 0.028 0.000 0.747 56 L CB -0.179 41.903 42.059 0.038 0.000 0.903 56 L HN 0.318 nan 8.230 nan 0.000 0.435 57 Q N 0.827 120.663 119.800 0.059 0.000 2.281 57 Q HA -0.030 4.309 4.340 -0.003 0.000 0.267 57 Q C 0.883 176.959 176.000 0.125 0.000 1.053 57 Q CA -0.233 55.619 55.803 0.081 0.000 0.905 57 Q CB 1.374 30.163 28.738 0.085 0.000 1.195 57 Q HN 0.162 nan 8.270 nan 0.000 0.398 58 L N 4.762 126.059 121.223 0.124 0.000 2.093 58 L HA -0.159 4.180 4.340 -0.003 0.000 0.208 58 L C 1.495 178.553 176.870 0.313 0.000 1.085 58 L CA 2.167 57.114 54.840 0.179 0.000 0.755 58 L CB -0.262 41.862 42.059 0.108 0.000 0.904 58 L HN 0.733 nan 8.230 nan 0.000 0.435 59 D N -0.998 119.549 120.400 0.245 0.000 2.351 59 D HA -0.203 4.436 4.640 -0.003 0.000 0.216 59 D C 1.467 178.100 176.300 0.555 0.000 0.968 59 D CA 0.917 55.123 54.000 0.343 0.000 0.899 59 D CB -0.478 40.422 40.800 0.167 0.000 0.907 59 D HN 0.433 nan 8.370 nan 0.000 0.514 60 R N 0.308 121.017 120.500 0.350 0.000 2.388 60 R HA 0.102 4.440 4.340 -0.003 0.000 0.247 60 R C 1.434 177.837 176.300 0.172 0.000 0.931 60 R CA -0.145 56.087 56.100 0.219 0.000 1.082 60 R CB -0.366 30.020 30.300 0.142 0.000 1.135 60 R HN 0.482 nan 8.270 nan 0.000 0.525 61 W N 0.438 121.849 121.300 0.184 0.000 2.392 61 W HA -0.104 4.554 4.660 -0.003 0.000 0.279 61 W C 0.953 177.505 176.519 0.056 0.000 1.225 61 W CA 0.433 57.841 57.345 0.106 0.000 1.233 61 W CB -0.491 29.030 29.460 0.101 0.000 1.122 61 W HN -0.020 nan 8.180 nan 0.000 0.561 62 M N 1.373 120.519 119.600 -0.757 0.000 2.460 62 M HA -0.109 4.370 4.480 -0.003 0.000 0.263 62 M C 1.776 177.912 176.300 -0.274 0.000 1.071 62 M CA 1.553 56.400 55.300 -0.756 0.000 1.096 62 M CB -0.330 31.746 32.600 -0.873 0.000 1.408 62 M HN 0.030 nan 8.290 nan 0.000 0.463 63 E N 0.459 120.571 120.200 -0.148 0.000 2.274 63 E HA -0.099 4.249 4.350 -0.003 0.000 0.194 63 E C 1.835 178.455 176.600 0.032 0.000 0.996 63 E CA 0.770 57.142 56.400 -0.047 0.000 0.840 63 E CB -0.125 29.567 29.700 -0.013 0.000 0.772 63 E HN 0.552 nan 8.360 nan 0.000 0.491 64 L N 0.866 122.136 121.223 0.077 0.000 2.217 64 L HA -0.043 4.296 4.340 -0.003 0.000 0.211 64 L C 0.948 177.907 176.870 0.148 0.000 1.107 64 L CA 0.212 55.149 54.840 0.161 0.000 0.783 64 L CB -0.329 41.866 42.059 0.227 0.000 0.919 64 L HN 0.099 nan 8.230 nan 0.000 0.442 65 L N 0.872 122.137 121.223 0.070 0.000 2.499 65 L HA -0.046 4.293 4.340 -0.003 0.000 0.273 65 L C 0.848 177.754 176.870 0.059 0.000 1.195 65 L CA 0.248 55.120 54.840 0.054 0.000 0.882 65 L CB -0.019 42.040 42.059 -0.001 0.000 1.133 65 L HN 0.243 nan 8.230 nan 0.000 0.483 66 E N -0.175 120.071 120.200 0.078 0.000 3.065 66 E HA -0.264 4.085 4.350 -0.003 0.000 0.277 66 E C 0.410 177.031 176.600 0.036 0.000 1.008 66 E CA 0.714 57.146 56.400 0.054 0.000 0.864 66 E CB -1.029 28.696 29.700 0.040 0.000 1.439 66 E HN 0.830 nan 8.360 nan 0.000 0.445 67 S N -1.306 114.428 115.700 0.057 0.000 2.607 67 S HA 0.480 4.948 4.470 -0.003 0.000 0.272 67 S C 1.447 176.032 174.600 -0.025 0.000 1.166 67 S CA -0.239 57.988 58.200 0.045 0.000 1.021 67 S CB 1.295 64.577 63.200 0.137 0.000 1.113 67 S HN 0.227 nan 8.310 nan 0.000 0.531 68 G N -1.294 107.431 108.800 -0.124 0.000 2.920 68 G HA2 0.127 4.085 3.960 -0.003 0.000 0.208 68 G HA3 0.127 4.085 3.960 -0.003 0.000 0.208 68 G C 0.202 174.816 174.900 -0.476 0.000 1.159 68 G CA -0.007 44.904 45.100 -0.316 0.000 0.784 68 G HN 0.704 nan 8.290 nan 0.000 0.535 69 Y N -0.096 120.165 120.300 -0.065 0.000 2.607 69 Y HA 0.295 4.843 4.550 -0.003 0.000 0.266 69 Y C 0.100 175.952 175.900 -0.079 0.000 1.178 69 Y CA -0.822 57.229 58.100 -0.081 0.000 1.226 69 Y CB 0.770 39.224 38.460 -0.009 0.000 1.144 69 Y HN 0.052 nan 8.280 nan 0.000 0.528 70 D N -1.368 119.037 120.400 0.008 0.000 2.629 70 D HA 0.104 4.742 4.640 -0.003 0.000 0.250 70 D C -0.016 176.265 176.300 -0.033 0.000 1.126 70 D CA -0.907 53.127 54.000 0.056 0.000 0.852 70 D CB 0.761 41.645 40.800 0.141 0.000 1.335 70 D HN 0.070 nan 8.370 nan 0.000 0.518 71 W N 1.962 123.201 121.300 -0.101 0.000 2.388 71 W HA 0.014 4.672 4.660 -0.003 0.000 0.294 71 W C 0.557 176.819 176.519 -0.427 0.000 1.212 71 W CA 0.561 57.728 57.345 -0.297 0.000 1.271 71 W CB -0.066 29.105 29.460 -0.483 0.000 1.126 71 W HN 0.465 nan 8.180 nan 0.000 0.535 72 D N -1.129 119.223 120.400 -0.081 0.000 3.515 72 D HA -0.202 4.437 4.640 -0.003 0.000 0.247 72 D C -1.576 174.639 176.300 -0.142 0.000 1.084 72 D CA 0.423 54.396 54.000 -0.044 0.000 1.030 72 D CB -1.532 39.268 40.800 0.001 0.000 0.946 72 D HN 0.141 nan 8.370 nan 0.000 0.420 73 Y N 2.362 122.792 120.300 0.217 0.000 2.518 73 Y HA 0.375 4.923 4.550 -0.003 0.000 0.344 73 Y C -1.405 174.590 175.900 0.160 0.000 0.982 73 Y CA -1.876 56.318 58.100 0.157 0.000 1.234 73 Y CB 0.788 39.318 38.460 0.117 0.000 1.114 73 Y HN 0.077 nan 8.280 nan 0.000 0.515 74 P HA 0.186 nan 4.420 nan 0.000 0.274 74 P C -0.207 177.193 177.300 0.167 0.000 1.260 74 P CA -0.204 62.992 63.100 0.162 0.000 0.793 74 P CB 1.605 33.357 31.700 0.087 0.000 1.048 75 I N -3.347 117.301 120.570 0.130 0.000 2.750 75 I HA 0.496 4.664 4.170 -0.003 0.000 0.308 75 I C 0.171 176.319 176.117 0.052 0.000 1.016 75 I CA -1.364 60.003 61.300 0.112 0.000 1.098 75 I CB 1.211 39.310 38.000 0.165 0.000 1.279 75 I HN 0.030 nan 8.210 nan 0.000 0.454 76 E N 2.886 123.103 120.200 0.030 0.000 2.459 76 E HA 0.135 4.483 4.350 -0.003 0.000 0.264 76 E C -2.279 174.333 176.600 0.021 0.000 1.055 76 E CA -1.549 54.857 56.400 0.010 0.000 0.957 76 E CB -0.355 29.340 29.700 -0.008 0.000 0.952 76 E HN 0.444 nan 8.360 nan 0.000 0.448 77 P HA -0.022 nan 4.420 nan 0.000 0.264 77 P C -0.405 176.927 177.300 0.053 0.000 1.193 77 P CA 0.380 63.494 63.100 0.023 0.000 0.763 77 P CB 0.492 32.198 31.700 0.011 0.000 0.810 78 Q N 2.342 122.199 119.800 0.097 0.000 2.256 78 Q HA 0.048 4.386 4.340 -0.003 0.000 0.254 78 Q C 1.177 177.249 176.000 0.119 0.000 0.916 78 Q CA -0.029 55.852 55.803 0.131 0.000 0.932 78 Q CB 1.236 30.116 28.738 0.238 0.000 1.207 78 Q HN 0.565 nan 8.270 nan 0.000 0.426 79 E N 2.492 122.751 120.200 0.097 0.000 2.110 79 E HA -0.204 4.144 4.350 -0.003 0.000 0.193 79 E C 0.088 176.753 176.600 0.107 0.000 0.988 79 E CA 1.073 57.523 56.400 0.083 0.000 0.804 79 E CB 0.393 30.129 29.700 0.060 0.000 0.745 79 E HN 0.440 nan 8.360 nan 0.000 0.458 80 N N -0.425 118.367 118.700 0.153 0.000 2.628 80 N HA 0.243 4.982 4.740 -0.003 0.000 0.299 80 N C -0.963 174.708 175.510 0.268 0.000 1.834 80 N CA 0.282 53.436 53.050 0.174 0.000 0.871 80 N CB 1.242 39.833 38.487 0.173 0.000 1.377 80 N HN 0.214 nan 8.380 nan 0.000 0.493 81 G N -0.226 108.740 108.800 0.276 0.000 2.650 81 G HA2 0.164 4.122 3.960 -0.003 0.000 0.310 81 G HA3 0.164 4.122 3.960 -0.003 0.000 0.310 81 G C -1.635 173.493 174.900 0.379 0.000 1.270 81 G CA -0.688 44.660 45.100 0.414 0.000 0.810 81 G HN 0.167 nan 8.290 nan 0.000 0.493 82 N N 0.473 119.461 118.700 0.479 0.000 2.645 82 N HA 0.307 5.046 4.740 -0.003 0.000 0.233 82 N C 1.136 176.772 175.510 0.210 0.000 1.058 82 N CA -0.093 53.094 53.050 0.228 0.000 0.942 82 N CB 1.007 39.437 38.487 -0.095 0.000 1.210 82 N HN 0.201 nan 8.380 nan 0.000 0.512 83 S N 1.926 117.750 115.700 0.208 0.000 2.493 83 S HA -0.055 4.413 4.470 -0.003 0.000 0.243 83 S C 0.801 175.403 174.600 0.003 0.000 0.991 83 S CA 0.723 58.977 58.200 0.091 0.000 0.957 83 S CB -0.297 62.911 63.200 0.014 0.000 0.756 83 S HN 0.576 nan 8.310 nan 0.000 0.521 84 F N 0.610 120.586 119.950 0.044 0.000 2.660 84 F HA 0.382 4.908 4.527 -0.002 0.000 0.302 84 F C 0.715 176.509 175.800 -0.010 0.000 1.103 84 F CA -0.137 57.872 58.000 0.015 0.000 1.340 84 F CB 0.153 39.151 39.000 -0.003 0.000 1.048 84 F HN 0.161 nan 8.300 nan 0.000 0.551 85 M N 1.434 121.106 119.600 0.121 0.000 2.318 85 M HA 0.431 4.910 4.480 -0.003 0.000 0.347 85 M C -0.646 175.693 176.300 0.065 0.000 1.175 85 M CA -0.237 55.078 55.300 0.025 0.000 1.075 85 M CB 0.942 33.467 32.600 -0.125 0.000 1.614 85 M HN -0.061 nan 8.290 nan 0.000 0.456 86 R N 2.666 123.201 120.500 0.059 0.000 2.562 86 R HA 0.314 4.652 4.340 -0.003 0.000 0.298 86 R C -1.248 175.141 176.300 0.148 0.000 0.961 86 R CA -0.812 55.375 56.100 0.145 0.000 0.881 86 R CB 1.143 31.547 30.300 0.174 0.000 1.159 86 R HN 0.749 nan 8.270 nan 0.000 0.450 87 H N 1.110 120.357 119.070 0.295 0.000 3.109 87 H HA 0.193 4.748 4.556 -0.002 0.000 0.266 87 H C 0.192 175.802 175.328 0.469 0.000 1.334 87 H CA 0.125 56.408 56.048 0.391 0.000 1.456 87 H CB 0.647 30.605 29.762 0.327 0.000 1.587 87 H HN 0.658 nan 8.280 nan 0.000 0.500 88 A N 4.361 127.561 122.820 0.633 0.000 2.498 88 A HA 0.361 4.679 4.320 -0.003 0.000 0.239 88 A C 0.215 178.133 177.584 0.557 0.000 1.068 88 A CA -0.107 52.209 52.037 0.466 0.000 0.766 88 A CB 0.296 19.425 19.000 0.216 0.000 1.003 88 A HN 0.660 nan 8.150 nan 0.000 0.497 89 R N 0.918 121.692 120.500 0.457 0.000 2.518 89 R HA 0.420 4.758 4.340 -0.003 0.000 0.287 89 R C -0.484 175.934 176.300 0.197 0.000 1.135 89 R CA -0.161 56.148 56.100 0.348 0.000 0.967 89 R CB 1.405 32.031 30.300 0.542 0.000 1.212 89 R HN 0.999 nan 8.270 nan 0.000 0.422 90 A N 2.877 125.500 122.820 -0.328 0.000 2.546 90 A HA 0.039 4.358 4.320 -0.003 0.000 0.243 90 A C 0.254 177.875 177.584 0.062 0.000 1.063 90 A CA 0.492 52.416 52.037 -0.189 0.000 0.757 90 A CB 0.177 18.987 19.000 -0.316 0.000 0.991 90 A HN 0.583 nan 8.150 nan 0.000 0.503 91 K N 2.624 122.956 120.400 -0.113 0.000 2.606 91 K HA 0.525 4.843 4.320 -0.003 0.000 0.196 91 K C -1.278 175.276 176.600 -0.076 0.000 1.048 91 K CA -0.185 55.905 56.287 -0.329 0.000 1.017 91 K CB 0.605 32.446 32.500 -1.099 0.000 1.413 91 K HN 0.688 nan 8.250 nan 0.000 0.568 92 V N 2.547 122.487 119.914 0.043 0.000 3.234 92 V HA 0.269 4.388 4.120 -0.003 0.000 0.280 92 V C -1.302 174.838 176.094 0.076 0.000 1.580 92 V CA -1.087 61.272 62.300 0.098 0.000 1.032 92 V CB 2.124 34.030 31.823 0.138 0.000 1.203 92 V HN 0.516 nan 8.190 nan 0.000 0.459 93 M N 3.104 122.748 119.600 0.074 0.000 2.248 93 M HA 0.284 4.763 4.480 -0.003 0.000 0.343 93 M C 1.433 177.770 176.300 0.062 0.000 1.243 93 M CA 1.786 57.130 55.300 0.074 0.000 1.025 93 M CB -0.440 32.208 32.600 0.081 0.000 1.759 93 M HN 1.568 nan 8.290 nan 0.000 0.452 94 G N 2.099 110.935 108.800 0.059 0.000 2.176 94 G HA2 -0.115 3.843 3.960 -0.003 0.000 0.232 94 G HA3 -0.115 3.843 3.960 -0.003 0.000 0.232 94 G C 0.733 175.658 174.900 0.042 0.000 0.986 94 G CA 0.327 45.453 45.100 0.044 0.000 0.643 94 G HN 1.391 nan 8.290 nan 0.000 0.522 95 G N -0.696 108.136 108.800 0.052 0.000 2.602 95 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.306 95 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.306 95 G C 1.411 176.304 174.900 -0.012 0.000 1.301 95 G CA 1.391 46.520 45.100 0.048 0.000 0.974 95 G HN 1.407 nan 8.290 nan 0.000 0.547 96 C N 1.408 120.685 119.300 -0.038 0.000 2.466 96 C HA 0.223 4.682 4.460 -0.003 0.000 0.283 96 C C 3.125 178.156 174.990 0.069 0.000 1.472 96 C CA 1.592 60.561 59.018 -0.082 0.000 1.765 96 C CB -1.687 26.044 27.740 -0.015 0.000 1.724 96 C HN 1.036 nan 8.230 nan 0.000 0.560 97 S N -0.190 115.537 115.700 0.044 0.000 2.522 97 S HA -0.036 4.433 4.470 -0.003 0.000 0.227 97 S C 1.440 176.063 174.600 0.038 0.000 0.986 97 S CA 1.131 59.354 58.200 0.038 0.000 0.929 97 S CB -0.304 62.914 63.200 0.031 0.000 0.769 97 S HN 0.516 nan 8.310 nan 0.000 0.529 98 S N 0.766 116.496 115.700 0.051 0.000 2.556 98 S HA 0.153 4.621 4.470 -0.003 0.000 0.216 98 S C 1.055 175.736 174.600 0.136 0.000 0.970 98 S CA 0.190 58.424 58.200 0.057 0.000 0.912 98 S CB -0.202 63.014 63.200 0.028 0.000 0.790 98 S HN 1.008 nan 8.310 nan 0.000 0.504 99 H N 0.255 119.341 119.070 0.027 0.000 3.058 99 H HA 0.340 4.894 4.556 -0.002 0.000 0.266 99 H C 0.266 175.585 175.328 -0.016 0.000 1.135 99 H CA -0.549 55.539 56.048 0.066 0.000 1.174 99 H CB 0.147 29.966 29.762 0.095 0.000 1.581 99 H HN 0.288 nan 8.280 nan 0.000 0.553 100 N N 0.784 119.486 118.700 0.004 0.000 2.413 100 N HA 0.169 4.907 4.740 -0.003 0.000 0.266 100 N C 0.884 175.903 175.510 -0.818 0.000 1.238 100 N CA -0.021 52.790 53.050 -0.398 0.000 0.972 100 N CB 0.902 39.299 38.487 -0.151 0.000 1.210 100 N HN 0.213 nan 8.380 nan 0.000 0.547 101 A N -0.976 121.179 122.820 -1.109 0.000 2.238 101 A HA 0.175 4.493 4.320 -0.003 0.000 0.208 101 A C 0.689 178.033 177.584 -0.401 0.000 1.177 101 A CA -0.057 51.378 52.037 -1.003 0.000 0.804 101 A CB -1.270 17.253 19.000 -0.794 0.000 0.823 101 A HN 0.839 nan 8.150 nan 0.000 0.482 102 C N -1.574 117.545 119.300 -0.302 0.000 4.358 102 C HA -0.166 4.292 4.460 -0.003 0.000 0.287 102 C C 0.604 175.495 174.990 -0.164 0.000 1.414 102 C CA 0.120 59.039 59.018 -0.165 0.000 1.949 102 C CB -2.995 24.684 27.740 -0.100 0.000 1.274 102 C HN 0.599 nan 8.230 nan 0.000 0.793 103 I N 1.133 121.556 120.570 -0.245 0.000 2.556 103 I HA 0.368 4.536 4.170 -0.003 0.000 0.284 103 I C 0.702 176.638 176.117 -0.302 0.000 1.114 103 I CA 0.978 62.043 61.300 -0.393 0.000 1.418 103 I CB 0.584 38.174 38.000 -0.683 0.000 1.394 103 I HN 0.447 nan 8.210 nan 0.000 0.552 104 A N 7.828 130.428 122.820 -0.366 0.000 2.310 104 A HA 0.747 5.066 4.320 -0.003 0.000 0.304 104 A C -0.974 176.435 177.584 -0.292 0.000 1.231 104 A CA -0.290 51.626 52.037 -0.201 0.000 0.799 104 A CB 0.276 19.224 19.000 -0.087 0.000 1.162 104 A HN 0.588 nan 8.150 nan 0.000 0.486 105 F N 1.396 121.368 119.950 0.037 0.000 2.547 105 F HA 0.494 5.019 4.527 -0.003 0.000 0.316 105 F C -0.554 175.285 175.800 0.064 0.000 1.121 105 F CA -0.669 57.366 58.000 0.057 0.000 0.911 105 F CB 1.671 40.667 39.000 -0.007 0.000 1.179 105 F HN 0.639 nan 8.300 nan 0.000 0.443 106 W N 2.802 124.052 121.300 -0.083 0.000 2.158 106 W HA 0.509 5.167 4.660 -0.003 0.000 0.339 106 W C 0.198 176.574 176.519 -0.239 0.000 1.294 106 W CA -0.598 56.380 57.345 -0.611 0.000 1.231 106 W CB 0.248 29.201 29.460 -0.845 0.000 1.143 106 W HN 0.496 nan 8.180 nan 0.000 0.571 107 A N 4.933 127.789 122.820 0.059 0.000 2.371 107 A HA 0.487 4.805 4.320 -0.003 0.000 0.257 107 A C -2.229 175.484 177.584 0.215 0.000 1.089 107 A CA -1.372 50.765 52.037 0.167 0.000 0.794 107 A CB -0.406 18.723 19.000 0.215 0.000 1.029 107 A HN 0.403 nan 8.150 nan 0.000 0.488 108 P HA -0.006 nan 4.420 nan 0.000 0.262 108 P C 0.895 178.311 177.300 0.192 0.000 1.182 108 P CA 0.059 63.243 63.100 0.140 0.000 0.761 108 P CB 0.495 32.220 31.700 0.042 0.000 0.795 109 R N 3.097 123.727 120.500 0.216 0.000 2.185 109 R HA -0.232 4.107 4.340 -0.003 0.000 0.247 109 R C 0.556 176.836 176.300 -0.034 0.000 1.159 109 R CA 1.838 57.936 56.100 -0.003 0.000 0.988 109 R CB -0.562 29.593 30.300 -0.242 0.000 0.871 109 R HN 0.346 nan 8.270 nan 0.000 0.458 110 E N 0.720 120.921 120.200 0.001 0.000 2.299 110 E HA -0.041 4.308 4.350 -0.003 0.000 0.193 110 E C 1.210 177.831 176.600 0.034 0.000 0.998 110 E CA 0.904 57.303 56.400 -0.001 0.000 0.851 110 E CB 0.034 29.731 29.700 -0.005 0.000 0.795 110 E HN 0.397 nan 8.360 nan 0.000 0.492 111 D N 0.341 120.774 120.400 0.055 0.000 2.091 111 D HA -0.047 4.591 4.640 -0.003 0.000 0.199 111 D C 1.944 178.146 176.300 -0.162 0.000 0.980 111 D CA 0.832 54.888 54.000 0.093 0.000 0.831 111 D CB -0.029 40.868 40.800 0.162 0.000 0.987 111 D HN 0.177 nan 8.370 nan 0.000 0.460 112 L N 0.990 122.024 121.223 -0.315 0.000 2.093 112 L HA -0.124 4.214 4.340 -0.003 0.000 0.208 112 L C 1.983 178.734 176.870 -0.198 0.000 1.085 112 L CA 0.797 55.290 54.840 -0.579 0.000 0.755 112 L CB -0.302 41.576 42.059 -0.301 0.000 0.904 112 L HN -0.116 nan 8.230 nan 0.000 0.435 113 D N 0.231 120.590 120.400 -0.069 0.000 2.178 113 D HA -0.216 4.423 4.640 -0.003 0.000 0.201 113 D C 1.968 178.321 176.300 0.089 0.000 0.980 113 D CA 1.129 55.130 54.000 0.001 0.000 0.842 113 D CB 0.054 40.834 40.800 -0.034 0.000 0.948 113 D HN 0.372 nan 8.370 nan 0.000 0.472 114 E N -0.916 119.363 120.200 0.132 0.000 2.482 114 E HA -0.110 4.238 4.350 -0.003 0.000 0.196 114 E C 1.319 178.202 176.600 0.471 0.000 1.047 114 E CA 0.160 56.692 56.400 0.221 0.000 0.869 114 E CB 0.130 29.978 29.700 0.247 0.000 0.836 114 E HN 0.275 nan 8.360 nan 0.000 0.520 115 W N 0.680 122.118 121.300 0.231 0.000 2.453 115 W HA 0.038 4.696 4.660 -0.003 0.000 0.289 115 W C 2.052 178.696 176.519 0.208 0.000 1.215 115 W CA 0.401 57.902 57.345 0.260 0.000 1.297 115 W CB -0.541 29.050 29.460 0.218 0.000 1.113 115 W HN 0.176 nan 8.180 nan 0.000 0.551 116 E N -0.143 120.297 120.200 0.400 0.000 2.051 116 E HA -0.078 4.270 4.350 -0.003 0.000 0.189 116 E C 2.241 178.928 176.600 0.144 0.000 0.979 116 E CA 1.411 57.959 56.400 0.246 0.000 0.803 116 E CB -0.079 29.733 29.700 0.186 0.000 0.761 116 E HN 0.030 nan 8.360 nan 0.000 0.451 117 A N 0.696 123.580 122.820 0.105 0.000 1.935 117 A HA -0.056 4.263 4.320 -0.003 0.000 0.214 117 A C 2.021 179.585 177.584 -0.033 0.000 1.178 117 A CA 1.195 53.249 52.037 0.028 0.000 0.640 117 A CB -0.110 18.895 19.000 0.009 0.000 0.825 117 A HN 0.087 nan 8.150 nan 0.000 0.447 118 K N -2.344 118.002 120.400 -0.089 0.000 2.244 118 K HA 0.123 4.441 4.320 -0.003 0.000 0.200 118 K C 0.671 177.048 176.600 -0.372 0.000 1.052 118 K CA 0.522 56.609 56.287 -0.334 0.000 0.980 118 K CB 0.103 32.228 32.500 -0.624 0.000 0.838 118 K HN 0.536 nan 8.250 nan 0.000 0.481 119 Y N -0.957 119.375 120.300 0.053 0.000 2.531 119 Y HA 0.249 4.797 4.550 -0.003 0.000 0.249 119 Y C 1.005 176.890 175.900 -0.025 0.000 1.168 119 Y CA 0.051 58.143 58.100 -0.012 0.000 1.226 119 Y CB 1.742 40.164 38.460 -0.063 0.000 1.177 119 Y HN 0.295 nan 8.280 nan 0.000 0.527 120 G N 0.479 109.352 108.800 0.121 0.000 2.175 120 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.244 120 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.244 120 G C 0.459 175.424 174.900 0.108 0.000 0.982 120 G CA -0.053 45.096 45.100 0.081 0.000 0.641 120 G HN 0.485 nan 8.290 nan 0.000 0.527 121 A N 1.632 124.552 122.820 0.166 0.000 3.063 121 A HA 0.601 4.919 4.320 -0.003 0.000 0.263 121 A C 1.054 178.837 177.584 0.331 0.000 1.736 121 A CA 0.979 53.155 52.037 0.232 0.000 1.408 121 A CB -0.631 18.490 19.000 0.201 0.000 1.108 121 A HN 0.995 nan 8.150 nan 0.000 0.621 122 T N 0.796 115.479 114.554 0.215 0.000 2.658 122 T HA 0.239 4.587 4.350 -0.003 0.000 0.252 122 T C 1.613 176.438 174.700 0.209 0.000 1.021 122 T CA 1.760 63.962 62.100 0.169 0.000 1.169 122 T CB 0.035 68.969 68.868 0.110 0.000 1.015 122 T HN 1.802 nan 8.240 nan 0.000 0.489 123 G N 2.636 111.507 108.800 0.118 0.000 2.217 123 G HA2 -0.223 3.736 3.960 -0.003 0.000 0.246 123 G HA3 -0.223 3.736 3.960 -0.003 0.000 0.246 123 G C -0.106 174.705 174.900 -0.147 0.000 0.990 123 G CA -0.424 44.655 45.100 -0.036 0.000 0.627 123 G HN 0.714 nan 8.290 nan 0.000 0.522 124 W N 2.787 124.162 121.300 0.125 0.000 2.316 124 W HA 0.644 5.302 4.660 -0.003 0.000 0.339 124 W C 0.425 177.015 176.519 0.118 0.000 1.002 124 W CA -0.031 57.422 57.345 0.181 0.000 1.465 124 W CB 0.439 30.136 29.460 0.395 0.000 1.300 124 W HN 0.598 nan 8.180 nan 0.000 0.378 125 N N 0.207 118.980 118.700 0.123 0.000 3.106 125 N HA 0.557 5.296 4.740 -0.003 0.000 0.253 125 N C 0.482 175.989 175.510 -0.004 0.000 1.506 125 N CA -0.365 52.708 53.050 0.038 0.000 0.876 125 N CB 0.324 38.818 38.487 0.012 0.000 1.452 125 N HN 0.099 nan 8.380 nan 0.000 0.542 126 A N 0.025 122.804 122.820 -0.067 0.000 1.917 126 A HA -0.221 4.098 4.320 -0.003 0.000 0.219 126 A C 1.762 179.283 177.584 -0.105 0.000 1.182 126 A CA 2.053 53.997 52.037 -0.156 0.000 0.633 126 A CB -1.200 17.470 19.000 -0.550 0.000 0.819 126 A HN 0.823 nan 8.150 nan 0.000 0.448 127 E N -0.673 119.451 120.200 -0.127 0.000 2.070 127 E HA -0.209 4.140 4.350 -0.003 0.000 0.197 127 E C 2.279 178.879 176.600 0.000 0.000 1.004 127 E CA 1.246 57.608 56.400 -0.064 0.000 0.805 127 E CB -0.243 29.415 29.700 -0.070 0.000 0.744 127 E HN 0.643 nan 8.360 nan 0.000 0.451 128 A N 0.756 123.554 122.820 -0.037 0.000 1.872 128 A HA -0.016 4.303 4.320 -0.003 0.000 0.214 128 A C 2.296 179.839 177.584 -0.070 0.000 1.187 128 A CA 1.562 53.540 52.037 -0.098 0.000 0.614 128 A CB -0.572 18.295 19.000 -0.222 0.000 0.826 128 A HN 0.334 nan 8.150 nan 0.000 0.442 129 A N -1.472 121.356 122.820 0.014 0.000 1.897 129 A HA -0.114 4.205 4.320 -0.003 0.000 0.215 129 A C 2.130 179.764 177.584 0.084 0.000 1.181 129 A CA 1.015 53.025 52.037 -0.044 0.000 0.620 129 A CB -0.954 18.077 19.000 0.053 0.000 0.821 129 A HN 0.757 nan 8.150 nan 0.000 0.443 130 W N 0.358 121.680 121.300 0.037 0.000 2.301 130 W HA -0.190 4.468 4.660 -0.003 0.000 0.325 130 W C -0.719 175.839 176.519 0.065 0.000 1.250 130 W CA 2.210 59.653 57.345 0.162 0.000 1.261 130 W CB -1.417 28.187 29.460 0.241 0.000 1.157 130 W HN 0.302 nan 8.180 nan 0.000 0.473 131 P HA -0.165 nan 4.420 nan 0.000 0.218 131 P C 1.696 178.995 177.300 -0.002 0.000 1.149 131 P CA 1.617 64.782 63.100 0.108 0.000 0.817 131 P CB -0.369 31.372 31.700 0.069 0.000 0.785 132 L N -2.690 118.479 121.223 -0.090 0.000 2.072 132 L HA -0.136 4.202 4.340 -0.003 0.000 0.205 132 L C 2.449 179.174 176.870 -0.241 0.000 1.079 132 L CA 1.491 56.225 54.840 -0.176 0.000 0.752 132 L CB -1.193 40.717 42.059 -0.249 0.000 0.906 132 L HN -0.017 nan 8.230 nan 0.000 0.436 133 Y N 0.573 120.623 120.300 -0.416 0.000 2.241 133 Y HA -0.305 4.243 4.550 -0.002 0.000 0.286 133 Y C 2.812 178.437 175.900 -0.457 0.000 1.166 133 Y CA 1.326 58.985 58.100 -0.734 0.000 1.203 133 Y CB -0.123 37.240 38.460 -1.827 0.000 0.977 133 Y HN 0.138 nan 8.280 nan 0.000 0.529 134 K N 0.482 120.824 120.400 -0.097 0.000 2.103 134 K HA -0.162 4.156 4.320 -0.003 0.000 0.204 134 K C 2.218 178.838 176.600 0.033 0.000 1.052 134 K CA 0.933 57.262 56.287 0.070 0.000 0.945 134 K CB -0.052 32.526 32.500 0.130 0.000 0.722 134 K HN 0.181 nan 8.250 nan 0.000 0.443 135 R N 0.606 121.101 120.500 -0.009 0.000 2.153 135 R HA -0.058 4.281 4.340 -0.003 0.000 0.218 135 R C 2.208 178.497 176.300 -0.018 0.000 1.072 135 R CA 0.886 56.980 56.100 -0.009 0.000 0.990 135 R CB -0.038 30.251 30.300 -0.017 0.000 0.889 135 R HN 0.205 nan 8.270 nan 0.000 0.452 136 L N -0.525 120.683 121.223 -0.025 0.000 2.341 136 L HA 0.128 4.466 4.340 -0.003 0.000 0.214 136 L C 0.271 177.090 176.870 -0.086 0.000 1.115 136 L CA 0.716 55.541 54.840 -0.025 0.000 0.820 136 L CB -0.260 41.815 42.059 0.026 0.000 0.944 136 L HN -0.004 nan 8.230 nan 0.000 0.452 137 E N -0.741 119.436 120.200 -0.039 0.000 2.221 137 E HA 0.498 4.846 4.350 -0.003 0.000 0.268 137 E C -0.920 175.660 176.600 -0.034 0.000 0.933 137 E CA -0.855 55.524 56.400 -0.035 0.000 0.809 137 E CB 1.186 30.925 29.700 0.064 0.000 1.190 137 E HN -0.015 nan 8.360 nan 0.000 0.406 138 T N 2.421 116.944 114.554 -0.051 0.000 2.874 138 T HA 0.217 4.566 4.350 -0.003 0.000 0.321 138 T C -0.630 174.101 174.700 0.051 0.000 1.075 138 T CA -0.709 61.411 62.100 0.033 0.000 0.966 138 T CB 0.052 69.000 68.868 0.135 0.000 1.001 138 T HN 0.380 nan 8.240 nan 0.000 0.476 139 N N 2.330 121.030 118.700 -0.001 0.000 2.479 139 N HA 0.088 4.826 4.740 -0.003 0.000 0.285 139 N C 1.197 176.635 175.510 -0.120 0.000 1.075 139 N CA -0.213 52.778 53.050 -0.098 0.000 0.967 139 N CB 1.578 39.882 38.487 -0.305 0.000 1.137 139 N HN 0.713 nan 8.380 nan 0.000 0.472 140 E N 2.413 122.546 120.200 -0.113 0.000 2.058 140 E HA -0.222 4.126 4.350 -0.003 0.000 0.194 140 E C 0.132 176.657 176.600 -0.126 0.000 0.997 140 E CA 1.462 57.804 56.400 -0.096 0.000 0.801 140 E CB 0.080 29.733 29.700 -0.079 0.000 0.746 140 E HN 0.538 nan 8.360 nan 0.000 0.450 141 D N 0.730 121.009 120.400 -0.202 0.000 2.389 141 D HA -0.033 4.605 4.640 -0.003 0.000 0.221 141 D C 0.068 176.276 176.300 -0.153 0.000 0.974 141 D CA 0.839 54.724 54.000 -0.192 0.000 0.923 141 D CB -0.389 40.256 40.800 -0.259 0.000 0.892 141 D HN 0.304 nan 8.370 nan 0.000 0.518 142 A N -0.005 122.723 122.820 -0.154 0.000 2.531 142 A HA 0.476 4.795 4.320 -0.003 0.000 0.236 142 A C 1.026 178.600 177.584 -0.017 0.000 1.062 142 A CA 0.899 52.909 52.037 -0.045 0.000 0.760 142 A CB 0.296 19.285 19.000 -0.017 0.000 0.995 142 A HN 0.290 nan 8.150 nan 0.000 0.501 143 G N 0.829 109.631 108.800 0.003 0.000 2.327 143 G HA2 0.397 4.355 3.960 -0.003 0.000 0.291 143 G HA3 0.397 4.355 3.960 -0.003 0.000 0.291 143 G C -2.734 172.175 174.900 0.016 0.000 1.290 143 G CA 0.059 45.163 45.100 0.007 0.000 0.857 143 G HN 0.299 nan 8.290 nan 0.000 0.520 144 P HA 0.069 nan 4.420 nan 0.000 0.222 144 P C 0.905 178.222 177.300 0.028 0.000 1.147 144 P CA 1.653 64.767 63.100 0.022 0.000 0.790 144 P CB 0.091 31.801 31.700 0.017 0.000 0.780 145 D N -1.192 119.224 120.400 0.027 0.000 2.342 145 D HA 0.171 4.810 4.640 -0.003 0.000 0.221 145 D C 0.418 176.749 176.300 0.053 0.000 1.101 145 D CA -0.238 53.783 54.000 0.034 0.000 0.837 145 D CB -0.004 40.811 40.800 0.025 0.000 0.938 145 D HN 0.045 nan 8.370 nan 0.000 0.508 146 A N 1.625 124.474 122.820 0.049 0.000 3.292 146 A HA 0.325 4.643 4.320 -0.003 0.000 0.231 146 A C -2.036 175.530 177.584 -0.030 0.000 0.952 146 A CA -0.696 51.369 52.037 0.046 0.000 1.044 146 A CB 0.799 19.837 19.000 0.064 0.000 1.236 146 A HN -0.054 nan 8.150 nan 0.000 0.525 147 P HA -0.172 nan 4.420 nan 0.000 0.234 147 P C 1.044 178.387 177.300 0.073 0.000 1.167 147 P CA 1.108 64.238 63.100 0.051 0.000 0.763 147 P CB -0.385 31.360 31.700 0.075 0.000 0.835 148 H N -2.350 116.735 119.070 0.024 0.000 2.502 148 H HA 0.002 4.556 4.556 -0.003 0.000 0.283 148 H C 0.360 175.722 175.328 0.057 0.000 1.015 148 H CA 0.400 56.468 56.048 0.035 0.000 1.298 148 H CB -1.022 28.695 29.762 -0.075 0.000 1.411 148 H HN 0.158 nan 8.280 nan 0.000 0.556 149 H N 1.130 119.887 119.070 -0.522 0.000 2.652 149 H HA 0.300 4.855 4.556 -0.003 0.000 0.349 149 H C 0.466 175.775 175.328 -0.031 0.000 1.099 149 H CA 0.435 56.325 56.048 -0.264 0.000 1.417 149 H CB 1.197 30.742 29.762 -0.362 0.000 1.457 149 H HN 0.443 nan 8.280 nan 0.000 0.568 150 G N 0.839 109.771 108.800 0.219 0.000 2.395 150 G HA2 0.169 4.127 3.960 -0.003 0.000 0.283 150 G HA3 0.169 4.127 3.960 -0.003 0.000 0.283 150 G C 0.230 175.173 174.900 0.072 0.000 1.178 150 G CA -0.551 44.621 45.100 0.119 0.000 0.837 150 G HN 0.696 nan 8.290 nan 0.000 0.518 151 D N -0.985 119.441 120.400 0.043 0.000 2.474 151 D HA 0.012 4.650 4.640 -0.003 0.000 0.213 151 D C 1.540 177.854 176.300 0.023 0.000 1.120 151 D CA 0.288 54.306 54.000 0.029 0.000 0.836 151 D CB 0.426 41.240 40.800 0.023 0.000 1.019 151 D HN 0.281 nan 8.370 nan 0.000 0.507 152 S N -0.294 115.410 115.700 0.008 0.000 2.540 152 S HA 0.365 4.833 4.470 -0.003 0.000 0.222 152 S C 1.344 175.910 174.600 -0.056 0.000 1.008 152 S CA -0.227 57.967 58.200 -0.010 0.000 0.939 152 S CB 0.673 63.870 63.200 -0.005 0.000 0.865 152 S HN 0.400 nan 8.310 nan 0.000 0.499 153 G N 3.590 112.345 108.800 -0.076 0.000 2.484 153 G HA2 0.287 4.246 3.960 -0.003 0.000 0.235 153 G HA3 0.287 4.246 3.960 -0.003 0.000 0.235 153 G C -1.168 173.562 174.900 -0.284 0.000 1.282 153 G CA -0.899 44.115 45.100 -0.143 0.000 0.857 153 G HN 0.091 nan 8.290 nan 0.000 0.571 154 P HA -0.088 nan 4.420 nan 0.000 0.219 154 P C 0.488 177.434 177.300 -0.591 0.000 1.146 154 P CA 0.726 63.536 63.100 -0.484 0.000 0.808 154 P CB 0.131 31.445 31.700 -0.644 0.000 0.779 155 V N 1.463 121.069 119.914 -0.514 0.000 2.318 155 V HA 0.162 4.280 4.120 -0.003 0.000 0.271 155 V C 0.083 175.991 176.094 -0.310 0.000 1.030 155 V CA -0.692 61.374 62.300 -0.390 0.000 0.844 155 V CB -0.384 31.289 31.823 -0.250 0.000 1.015 155 V HN 0.091 nan 8.190 nan 0.000 0.460 156 H N 5.005 124.016 119.070 -0.099 0.000 2.819 156 H HA 0.480 5.034 4.556 -0.003 0.000 0.303 156 H C -0.246 175.048 175.328 -0.056 0.000 1.058 156 H CA -0.150 55.856 56.048 -0.070 0.000 1.471 156 H CB 0.570 30.292 29.762 -0.066 0.000 1.480 156 H HN 0.501 nan 8.280 nan 0.000 0.517 157 L N 4.977 126.241 121.223 0.068 0.000 2.329 157 L HA 0.525 4.864 4.340 -0.003 0.000 0.279 157 L C -0.087 176.785 176.870 0.004 0.000 1.014 157 L CA -0.812 54.043 54.840 0.025 0.000 0.814 157 L CB 1.285 43.353 42.059 0.016 0.000 1.257 157 L HN 0.634 nan 8.230 nan 0.000 0.424 158 M N 0.665 120.264 119.600 -0.002 0.000 2.619 158 M HA 0.577 5.056 4.480 -0.003 0.000 0.297 158 M C -1.215 175.084 176.300 -0.000 0.000 1.229 158 M CA -0.798 54.491 55.300 -0.017 0.000 0.860 158 M CB 2.073 34.658 32.600 -0.024 0.000 1.741 158 M HN 0.272 nan 8.290 nan 0.000 0.462 159 N N 1.273 119.966 118.700 -0.013 0.000 2.488 159 N HA 0.295 5.034 4.740 -0.003 0.000 0.274 159 N C -0.917 174.593 175.510 0.000 0.000 1.111 159 N CA -0.345 52.710 53.050 0.009 0.000 0.974 159 N CB 1.809 40.282 38.487 -0.023 0.000 1.089 159 N HN 0.553 nan 8.380 nan 0.000 0.465 160 V N 5.345 125.292 119.914 0.054 0.000 2.425 160 V HA 0.052 4.170 4.120 -0.003 0.000 0.276 160 V C -1.640 174.359 176.094 -0.159 0.000 1.017 160 V CA -0.949 61.365 62.300 0.023 0.000 1.062 160 V CB 0.029 31.972 31.823 0.200 0.000 0.997 160 V HN 0.546 nan 8.190 nan 0.000 0.476 161 P HA 0.147 nan 4.420 nan 0.000 0.267 161 P C -2.302 174.663 177.300 -0.559 0.000 1.205 161 P CA -1.560 61.366 63.100 -0.290 0.000 0.765 161 P CB 0.190 31.776 31.700 -0.191 0.000 0.828 162 P HA -0.014 nan 4.420 nan 0.000 0.249 162 P C 0.892 177.860 177.300 -0.552 0.000 1.686 162 P CA 0.071 62.435 63.100 -1.227 0.000 0.873 162 P CB -0.153 31.055 31.700 -0.820 0.000 1.828 163 K N 0.456 120.636 120.400 -0.368 0.000 2.217 163 K HA -0.108 4.210 4.320 -0.003 0.000 0.202 163 K C 0.024 176.579 176.600 -0.075 0.000 1.051 163 K CA 0.858 57.046 56.287 -0.166 0.000 0.952 163 K CB -0.541 31.885 32.500 -0.123 0.000 0.736 163 K HN 0.090 nan 8.250 nan 0.000 0.453 164 D N 3.163 123.553 120.400 -0.017 0.000 2.338 164 D HA 0.078 4.716 4.640 -0.003 0.000 0.255 164 D C -1.554 174.741 176.300 -0.008 0.000 1.237 164 D CA -2.352 51.671 54.000 0.038 0.000 0.883 164 D CB 1.445 42.324 40.800 0.132 0.000 1.087 164 D HN 0.021 nan 8.370 nan 0.000 0.485 165 P HA -0.114 nan 4.420 nan 0.000 0.220 165 P C 0.829 177.892 177.300 -0.394 0.000 1.148 165 P CA 0.933 63.976 63.100 -0.095 0.000 0.803 165 P CB 0.214 31.971 31.700 0.095 0.000 0.782 166 T N -1.392 112.689 114.554 -0.789 0.000 3.043 166 T HA 0.070 4.419 4.350 -0.003 0.000 0.263 166 T C 2.116 176.324 174.700 -0.819 0.000 1.094 166 T CA 1.104 62.448 62.100 -1.260 0.000 1.127 166 T CB -0.777 67.201 68.868 -1.483 0.000 0.905 166 T HN 0.143 nan 8.240 nan 0.000 0.490 167 G N 1.826 110.327 108.800 -0.499 0.000 2.434 167 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.214 167 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.214 167 G C 1.650 176.288 174.900 -0.436 0.000 1.202 167 G CA 0.836 45.599 45.100 -0.563 0.000 0.788 167 G HN 0.398 nan 8.290 nan 0.000 0.539 168 V N 1.875 121.729 119.914 -0.101 0.000 2.278 168 V HA -0.257 3.862 4.120 -0.003 0.000 0.251 168 V C 3.331 179.330 176.094 -0.158 0.000 1.062 168 V CA 2.312 64.586 62.300 -0.044 0.000 1.038 168 V CB -1.060 30.773 31.823 0.018 0.000 0.646 168 V HN 0.490 nan 8.190 nan 0.000 0.447 169 A N -0.744 121.938 122.820 -0.230 0.000 2.015 169 A HA -0.126 4.192 4.320 -0.003 0.000 0.219 169 A C 2.139 179.567 177.584 -0.260 0.000 1.163 169 A CA 1.780 53.701 52.037 -0.193 0.000 0.646 169 A CB -0.449 18.465 19.000 -0.143 0.000 0.806 169 A HN 0.476 nan 8.150 nan 0.000 0.448 170 L N -1.059 119.910 121.223 -0.422 0.000 2.156 170 L HA -0.036 4.303 4.340 -0.003 0.000 0.208 170 L C 2.013 178.693 176.870 -0.317 0.000 1.095 170 L CA 1.154 55.735 54.840 -0.433 0.000 0.770 170 L CB -0.235 41.398 42.059 -0.711 0.000 0.914 170 L HN 0.236 nan 8.230 nan 0.000 0.439 171 L N -0.670 120.366 121.223 -0.312 0.000 2.109 171 L HA -0.135 4.204 4.340 -0.003 0.000 0.207 171 L C 2.156 178.940 176.870 -0.142 0.000 1.086 171 L CA 1.399 56.105 54.840 -0.223 0.000 0.760 171 L CB -1.319 40.613 42.059 -0.212 0.000 0.910 171 L HN 0.277 nan 8.230 nan 0.000 0.437 172 D N -0.282 120.043 120.400 -0.126 0.000 2.149 172 D HA -0.136 4.502 4.640 -0.003 0.000 0.198 172 D C 2.123 178.377 176.300 -0.077 0.000 0.990 172 D CA 1.499 55.450 54.000 -0.082 0.000 0.839 172 D CB 0.103 40.865 40.800 -0.062 0.000 0.948 172 D HN 0.312 nan 8.370 nan 0.000 0.460 173 A N -0.159 122.601 122.820 -0.100 0.000 2.072 173 A HA -0.054 4.265 4.320 -0.003 0.000 0.216 173 A C 2.417 179.957 177.584 -0.073 0.000 1.156 173 A CA 0.436 52.425 52.037 -0.080 0.000 0.701 173 A CB -0.550 18.394 19.000 -0.094 0.000 0.816 173 A HN 0.287 nan 8.150 nan 0.000 0.458 174 C N -0.782 118.462 119.300 -0.093 0.000 2.453 174 C HA -0.065 4.394 4.460 -0.003 0.000 0.277 174 C C 2.574 177.536 174.990 -0.048 0.000 1.262 174 C CA 1.184 60.159 59.018 -0.071 0.000 1.718 174 C CB -1.050 26.634 27.740 -0.093 0.000 2.031 174 C HN 0.716 nan 8.230 nan 0.000 0.480 175 E N 0.366 120.535 120.200 -0.052 0.000 2.065 175 E HA -0.296 4.052 4.350 -0.003 0.000 0.201 175 E C 2.112 178.696 176.600 -0.026 0.000 1.016 175 E CA 1.573 57.952 56.400 -0.036 0.000 0.818 175 E CB -0.201 29.476 29.700 -0.038 0.000 0.749 175 E HN 0.657 nan 8.360 nan 0.000 0.453 176 Q N -0.886 118.896 119.800 -0.029 0.000 2.443 176 Q HA -0.108 4.230 4.340 -0.003 0.000 0.213 176 Q C 1.458 177.449 176.000 -0.014 0.000 0.982 176 Q CA 1.019 56.810 55.803 -0.020 0.000 0.894 176 Q CB 0.117 28.842 28.738 -0.022 0.000 0.947 176 Q HN 0.224 nan 8.270 nan 0.000 0.480 177 A N -0.963 121.848 122.820 -0.015 0.000 2.348 177 A HA 0.458 4.776 4.320 -0.003 0.000 0.224 177 A C 1.365 178.950 177.584 0.001 0.000 1.227 177 A CA 0.554 52.587 52.037 -0.006 0.000 0.885 177 A CB 0.397 19.393 19.000 -0.006 0.000 0.933 177 A HN 0.369 nan 8.150 nan 0.000 0.506 178 G N -0.862 107.938 108.800 -0.000 0.000 2.184 178 G HA2 -0.157 3.802 3.960 -0.003 0.000 0.206 178 G HA3 -0.157 3.802 3.960 -0.003 0.000 0.206 178 G C -0.006 174.901 174.900 0.011 0.000 0.995 178 G CA 0.014 45.118 45.100 0.006 0.000 0.651 178 G HN 0.394 nan 8.290 nan 0.000 0.511 179 I N 2.950 123.524 120.570 0.006 0.000 2.328 179 I HA 0.388 4.556 4.170 -0.003 0.000 0.287 179 I C -2.170 173.945 176.117 -0.002 0.000 1.012 179 I CA -2.347 58.961 61.300 0.013 0.000 1.195 179 I CB 1.966 39.974 38.000 0.013 0.000 1.350 179 I HN -0.113 nan 8.210 nan 0.000 0.464 180 P HA 0.332 nan 4.420 nan 0.000 0.281 180 P C -0.770 176.516 177.300 -0.024 0.000 1.264 180 P CA -0.905 62.188 63.100 -0.011 0.000 0.824 180 P CB 0.656 32.354 31.700 -0.003 0.000 1.092 181 R N 0.527 120.999 120.500 -0.047 0.000 2.484 181 R HA 0.483 4.822 4.340 -0.003 0.000 0.293 181 R C -0.023 176.227 176.300 -0.084 0.000 1.023 181 R CA 0.333 56.386 56.100 -0.079 0.000 1.037 181 R CB -0.110 30.145 30.300 -0.075 0.000 0.951 181 R HN 0.541 nan 8.270 nan 0.000 0.418 182 A N 3.326 126.058 122.820 -0.148 0.000 2.454 182 A HA 0.459 4.778 4.320 -0.003 0.000 0.302 182 A C -0.939 176.446 177.584 -0.333 0.000 1.079 182 A CA -0.870 51.084 52.037 -0.139 0.000 0.731 182 A CB 1.580 20.578 19.000 -0.004 0.000 1.299 182 A HN 0.479 nan 8.150 nan 0.000 0.413 183 K N 1.073 121.353 120.400 -0.200 0.000 2.130 183 K HA 0.513 4.832 4.320 -0.003 0.000 0.268 183 K C -1.310 175.275 176.600 -0.024 0.000 0.983 183 K CA 0.044 56.209 56.287 -0.203 0.000 0.893 183 K CB 0.947 33.413 32.500 -0.057 0.000 1.066 183 K HN 0.630 nan 8.250 nan 0.000 0.450 184 F N 1.743 121.789 119.950 0.159 0.000 2.397 184 F HA 0.155 4.681 4.527 -0.003 0.000 0.331 184 F C 0.906 176.780 175.800 0.123 0.000 1.090 184 F CA -0.868 57.269 58.000 0.228 0.000 1.065 184 F CB 0.881 40.061 39.000 0.300 0.000 1.184 184 F HN 0.584 nan 8.300 nan 0.000 0.499 185 N N 0.523 119.410 118.700 0.311 0.000 2.756 185 N HA -0.167 4.572 4.740 -0.003 0.000 0.248 185 N C 0.620 175.996 175.510 -0.224 0.000 1.062 185 N CA 1.116 54.114 53.050 -0.087 0.000 0.696 185 N CB -1.569 36.913 38.487 -0.008 0.000 0.946 185 N HN 0.849 nan 8.380 nan 0.000 0.548 186 T N -4.671 109.772 114.554 -0.185 0.000 3.086 186 T HA 0.418 4.766 4.350 -0.003 0.000 0.250 186 T C 1.453 175.789 174.700 -0.606 0.000 1.074 186 T CA 1.027 62.992 62.100 -0.225 0.000 0.988 186 T CB 0.733 69.570 68.868 -0.051 0.000 0.988 186 T HN 0.845 nan 8.240 nan 0.000 0.530 187 G N 0.814 109.254 108.800 -0.600 0.000 2.195 187 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.246 187 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.246 187 G C 0.133 175.039 174.900 0.010 0.000 0.984 187 G CA 0.110 45.069 45.100 -0.234 0.000 0.633 187 G HN 0.761 nan 8.290 nan 0.000 0.525 188 T N 1.947 116.471 114.554 -0.050 0.000 2.792 188 T HA 0.573 4.921 4.350 -0.003 0.000 0.280 188 T C 0.320 175.028 174.700 0.014 0.000 0.990 188 T CA 0.100 62.197 62.100 -0.005 0.000 0.960 188 T CB 1.800 70.656 68.868 -0.020 0.000 0.939 188 T HN 0.229 nan 8.240 nan 0.000 0.439 189 T N 2.629 117.188 114.554 0.010 0.000 2.946 189 T HA 0.164 4.512 4.350 -0.003 0.000 0.311 189 T C 0.368 175.052 174.700 -0.028 0.000 1.063 189 T CA -0.102 61.983 62.100 -0.026 0.000 1.139 189 T CB 0.274 69.120 68.868 -0.037 0.000 0.994 189 T HN 0.345 nan 8.240 nan 0.000 0.547 190 V N 5.374 125.240 119.914 -0.080 0.000 2.304 190 V HA 0.110 4.229 4.120 -0.003 0.000 0.269 190 V C 1.151 177.189 176.094 -0.093 0.000 1.036 190 V CA -0.238 62.058 62.300 -0.008 0.000 0.840 190 V CB 0.992 32.922 31.823 0.179 0.000 1.036 190 V HN 0.848 nan 8.190 nan 0.000 0.466 191 V N 3.020 122.927 119.914 -0.011 0.000 2.488 191 V HA 0.045 4.163 4.120 -0.003 0.000 0.246 191 V C 1.031 177.186 176.094 0.100 0.000 1.046 191 V CA 1.171 63.480 62.300 0.015 0.000 1.053 191 V CB -0.249 31.585 31.823 0.019 0.000 0.679 191 V HN 0.915 nan 8.190 nan 0.000 0.458 192 N N 0.084 118.854 118.700 0.117 0.000 2.621 192 N HA 0.478 5.216 4.740 -0.003 0.000 0.271 192 N C -0.676 174.914 175.510 0.133 0.000 1.181 192 N CA 0.611 53.739 53.050 0.129 0.000 0.805 192 N CB 1.530 40.064 38.487 0.079 0.000 1.351 192 N HN 0.390 nan 8.380 nan 0.000 0.539 193 G N 0.915 109.827 108.800 0.187 0.000 2.368 193 G HA2 0.668 4.626 3.960 -0.003 0.000 0.293 193 G HA3 0.668 4.626 3.960 -0.003 0.000 0.293 193 G C -2.138 172.883 174.900 0.203 0.000 1.467 193 G CA -0.213 44.985 45.100 0.163 0.000 0.804 193 G HN 0.591 nan 8.290 nan 0.000 0.535 194 A N 0.325 123.196 122.820 0.085 0.000 2.594 194 A HA 0.928 5.246 4.320 -0.003 0.000 0.295 194 A C -0.975 176.534 177.584 -0.125 0.000 1.071 194 A CA -0.611 51.449 52.037 0.040 0.000 0.685 194 A CB 2.348 21.309 19.000 -0.065 0.000 1.285 194 A HN 1.451 nan 8.150 nan 0.000 0.405 195 N N -0.850 117.756 118.700 -0.157 0.000 3.545 195 N HA 0.306 5.044 4.740 -0.003 0.000 0.227 195 N C -1.470 173.905 175.510 -0.226 0.000 1.380 195 N CA -0.654 52.226 53.050 -0.284 0.000 0.892 195 N CB 0.342 38.530 38.487 -0.498 0.000 1.441 195 N HN 0.436 nan 8.380 nan 0.000 0.497 196 F N 1.650 121.502 119.950 -0.163 0.000 2.623 196 F HA 0.100 4.625 4.527 -0.003 0.000 0.386 196 F C 1.200 177.036 175.800 0.061 0.000 1.068 196 F CA 0.577 58.514 58.000 -0.104 0.000 1.265 196 F CB 0.016 38.978 39.000 -0.062 0.000 1.026 196 F HN 0.233 nan 8.300 nan 0.000 0.568 197 F N 1.947 122.140 119.950 0.404 0.000 2.485 197 F HA 0.077 4.602 4.527 -0.002 0.000 0.327 197 F C 0.930 176.850 175.800 0.200 0.000 1.203 197 F CA -0.524 57.665 58.000 0.316 0.000 1.295 197 F CB 0.366 39.432 39.000 0.110 0.000 1.191 197 F HN 0.362 nan 8.300 nan 0.000 0.588 198 Q N 2.261 122.260 119.800 0.331 0.000 2.299 198 Q HA 0.507 4.845 4.340 -0.003 0.000 0.246 198 Q C -0.710 175.301 176.000 0.018 0.000 0.935 198 Q CA -0.455 55.414 55.803 0.111 0.000 0.887 198 Q CB 1.900 30.660 28.738 0.036 0.000 1.223 198 Q HN 0.503 nan 8.270 nan 0.000 0.439 199 I N -0.612 119.971 120.570 0.022 0.000 2.769 199 I HA 0.379 4.547 4.170 -0.003 0.000 0.298 199 I C -0.559 175.550 176.117 -0.013 0.000 1.128 199 I CA -1.201 60.092 61.300 -0.012 0.000 1.031 199 I CB 1.973 39.992 38.000 0.031 0.000 1.235 199 I HN 0.423 nan 8.210 nan 0.000 0.423 200 N N 4.779 123.462 118.700 -0.029 0.000 2.918 200 N HA 0.300 5.038 4.740 -0.003 0.000 0.247 200 N C -0.867 174.640 175.510 -0.005 0.000 1.117 200 N CA -0.474 52.568 53.050 -0.013 0.000 1.005 200 N CB 0.984 39.456 38.487 -0.024 0.000 1.297 200 N HN 0.745 nan 8.380 nan 0.000 0.513 201 R N 1.386 121.893 120.500 0.012 0.000 2.686 201 R HA 0.358 4.697 4.340 -0.003 0.000 0.283 201 R C -0.301 176.012 176.300 0.021 0.000 0.978 201 R CA -0.696 55.412 56.100 0.013 0.000 0.897 201 R CB 2.151 32.455 30.300 0.006 0.000 1.192 201 R HN 0.379 nan 8.270 nan 0.000 0.457 202 R N 1.412 121.925 120.500 0.022 0.000 2.637 202 R HA 0.193 4.532 4.340 -0.003 0.000 0.269 202 R C 0.946 177.217 176.300 -0.049 0.000 1.089 202 R CA 0.310 56.400 56.100 -0.016 0.000 1.177 202 R CB 0.632 30.936 30.300 0.007 0.000 1.091 202 R HN 0.759 nan 8.270 nan 0.000 0.540 203 A N 1.361 124.124 122.820 -0.096 0.000 2.019 203 A HA -0.217 4.101 4.320 -0.003 0.000 0.219 203 A C 1.517 179.070 177.584 -0.051 0.000 1.164 203 A CA 2.020 54.010 52.037 -0.080 0.000 0.644 203 A CB -0.630 18.309 19.000 -0.101 0.000 0.805 203 A HN 0.893 nan 8.150 nan 0.000 0.449 204 D N -2.893 117.482 120.400 -0.041 0.000 2.363 204 D HA 0.304 4.943 4.640 -0.003 0.000 0.226 204 D C 1.082 177.378 176.300 -0.007 0.000 1.020 204 D CA 1.026 55.013 54.000 -0.021 0.000 0.892 204 D CB -0.161 40.630 40.800 -0.015 0.000 0.900 204 D HN 0.635 nan 8.370 nan 0.000 0.531 205 G N -0.943 107.853 108.800 -0.007 0.000 2.159 205 G HA2 -0.235 3.724 3.960 -0.003 0.000 0.227 205 G HA3 -0.235 3.724 3.960 -0.003 0.000 0.227 205 G C 0.273 175.186 174.900 0.022 0.000 0.986 205 G CA 0.164 45.268 45.100 0.006 0.000 0.651 205 G HN 0.404 nan 8.290 nan 0.000 0.523 206 T N 1.732 116.297 114.554 0.018 0.000 2.817 206 T HA 0.519 4.867 4.350 -0.003 0.000 0.293 206 T C 0.873 175.584 174.700 0.018 0.000 0.964 206 T CA -0.204 61.911 62.100 0.024 0.000 1.085 206 T CB 0.761 69.643 68.868 0.023 0.000 0.921 206 T HN 0.722 nan 8.240 nan 0.000 0.502 207 R N 1.874 122.385 120.500 0.019 0.000 2.623 207 R HA 0.257 4.595 4.340 -0.003 0.000 0.271 207 R C -0.117 176.172 176.300 -0.018 0.000 1.043 207 R CA -0.259 55.844 56.100 0.005 0.000 1.083 207 R CB 0.047 30.353 30.300 0.011 0.000 0.974 207 R HN 0.333 nan 8.270 nan 0.000 0.436 208 S N 2.128 117.815 115.700 -0.022 0.000 3.697 208 S HA 0.018 4.486 4.470 -0.003 0.000 0.207 208 S C 0.231 174.790 174.600 -0.068 0.000 1.459 208 S CA -0.272 57.898 58.200 -0.049 0.000 1.122 208 S CB -0.413 62.767 63.200 -0.033 0.000 1.311 208 S HN 0.747 nan 8.310 nan 0.000 0.487 209 S N 1.404 117.064 115.700 -0.066 0.000 2.606 209 S HA 0.144 4.613 4.470 -0.003 0.000 0.257 209 S C 1.603 176.176 174.600 -0.045 0.000 1.327 209 S CA -0.074 58.100 58.200 -0.043 0.000 0.984 209 S CB 0.732 63.909 63.200 -0.038 0.000 0.941 209 S HN 0.487 nan 8.310 nan 0.000 0.576 210 S N 0.501 116.219 115.700 0.030 0.000 2.428 210 S HA -0.108 4.360 4.470 -0.003 0.000 0.230 210 S C 1.911 176.569 174.600 0.096 0.000 1.014 210 S CA 0.864 59.155 58.200 0.151 0.000 0.957 210 S CB -1.203 62.121 63.200 0.208 0.000 0.784 210 S HN 0.966 nan 8.310 nan 0.000 0.499 211 S N 1.934 117.633 115.700 -0.002 0.000 2.357 211 S HA -0.013 4.455 4.470 -0.003 0.000 0.221 211 S C 1.854 176.248 174.600 -0.343 0.000 1.031 211 S CA 0.942 59.116 58.200 -0.043 0.000 0.982 211 S CB -1.144 62.075 63.200 0.031 0.000 0.853 211 S HN 0.353 nan 8.310 nan 0.000 0.458 212 V N 2.382 121.982 119.914 -0.523 0.000 2.332 212 V HA -0.176 3.942 4.120 -0.003 0.000 0.248 212 V C 2.809 178.659 176.094 -0.406 0.000 1.055 212 V CA 2.279 64.135 62.300 -0.739 0.000 1.038 212 V CB -1.083 30.526 31.823 -0.358 0.000 0.651 212 V HN 0.584 nan 8.190 nan 0.000 0.450 213 S N -1.933 113.594 115.700 -0.288 0.000 2.371 213 S HA -0.017 4.452 4.470 -0.003 0.000 0.221 213 S C 1.805 176.189 174.600 -0.361 0.000 1.036 213 S CA 1.044 59.034 58.200 -0.350 0.000 0.965 213 S CB -0.260 62.656 63.200 -0.474 0.000 0.845 213 S HN 0.633 nan 8.310 nan 0.000 0.475 214 Y N 0.194 120.407 120.300 -0.144 0.000 2.479 214 Y HA 0.281 4.830 4.550 -0.003 0.000 0.283 214 Y C 1.922 177.731 175.900 -0.153 0.000 1.109 214 Y CA 0.149 58.166 58.100 -0.139 0.000 1.239 214 Y CB 0.217 38.601 38.460 -0.127 0.000 1.108 214 Y HN 0.178 nan 8.280 nan 0.000 0.548 215 I N -1.245 119.346 120.570 0.036 0.000 2.947 215 I HA -0.091 4.077 4.170 -0.003 0.000 0.263 215 I C 1.930 178.130 176.117 0.139 0.000 1.130 215 I CA 0.981 62.302 61.300 0.034 0.000 1.448 215 I CB -1.343 36.733 38.000 0.127 0.000 1.222 215 I HN 0.298 nan 8.210 nan 0.000 0.453 216 H N 1.797 120.858 119.070 -0.015 0.000 2.321 216 H HA -0.134 4.420 4.556 -0.003 0.000 0.295 216 H C -0.607 174.715 175.328 -0.010 0.000 1.102 216 H CA 1.435 57.480 56.048 -0.006 0.000 1.266 216 H CB -1.298 28.459 29.762 -0.008 0.000 1.363 216 H HN 0.304 nan 8.280 nan 0.000 0.492 217 P HA -0.063 nan 4.420 nan 0.000 0.234 217 P C 1.047 178.353 177.300 0.011 0.000 1.167 217 P CA 1.081 64.203 63.100 0.036 0.000 0.763 217 P CB -0.240 31.458 31.700 -0.003 0.000 0.835 218 I N -6.836 113.723 120.570 -0.018 0.000 4.240 218 I HA 0.125 4.293 4.170 -0.003 0.000 0.331 218 I C 1.346 177.516 176.117 0.089 0.000 1.381 218 I CA -0.155 61.111 61.300 -0.057 0.000 1.136 218 I CB -0.190 37.650 38.000 -0.267 0.000 1.137 218 I HN -0.365 nan 8.210 nan 0.000 0.411 219 V N 2.370 122.386 119.914 0.170 0.000 2.277 219 V HA -0.288 3.830 4.120 -0.003 0.000 0.255 219 V C 2.180 178.452 176.094 0.297 0.000 1.074 219 V CA 2.293 64.780 62.300 0.311 0.000 1.058 219 V CB -0.682 31.241 31.823 0.168 0.000 0.656 219 V HN 0.556 nan 8.190 nan 0.000 0.449 220 E N -0.268 120.041 120.200 0.182 0.000 2.437 220 E HA 0.067 4.415 4.350 -0.003 0.000 0.189 220 E C 0.892 177.577 176.600 0.141 0.000 1.054 220 E CA -0.105 56.379 56.400 0.140 0.000 0.874 220 E CB -0.002 29.753 29.700 0.091 0.000 1.011 220 E HN 0.715 nan 8.360 nan 0.000 0.474 221 Q N 1.319 121.231 119.800 0.187 0.000 2.352 221 Q HA -0.031 4.308 4.340 -0.003 0.000 0.260 221 Q C 1.107 177.212 176.000 0.175 0.000 0.976 221 Q CA -0.038 55.859 55.803 0.157 0.000 0.881 221 Q CB 0.868 29.687 28.738 0.135 0.000 1.235 221 Q HN -0.030 nan 8.270 nan 0.000 0.419 222 E N 2.405 122.680 120.200 0.125 0.000 2.209 222 E HA -0.207 4.142 4.350 -0.003 0.000 0.196 222 E C 0.442 177.119 176.600 0.129 0.000 0.993 222 E CA 1.287 57.751 56.400 0.107 0.000 0.819 222 E CB 0.254 30.001 29.700 0.078 0.000 0.745 222 E HN 0.717 nan 8.360 nan 0.000 0.477 223 N N -0.796 118.004 118.700 0.166 0.000 2.204 223 N HA -0.020 4.719 4.740 -0.003 0.000 0.219 223 N C -0.489 175.180 175.510 0.264 0.000 1.151 223 N CA -0.331 52.831 53.050 0.186 0.000 0.867 223 N CB -0.263 38.320 38.487 0.160 0.000 1.043 223 N HN -0.066 nan 8.380 nan 0.000 0.516 224 F N 1.414 121.417 119.950 0.090 0.000 2.495 224 F HA 0.647 5.173 4.527 -0.003 0.000 0.327 224 F C -1.000 174.843 175.800 0.071 0.000 1.103 224 F CA -0.404 57.637 58.000 0.067 0.000 0.949 224 F CB 2.016 41.045 39.000 0.048 0.000 1.142 224 F HN -0.150 nan 8.300 nan 0.000 0.457 225 T N 7.378 121.423 114.554 -0.849 0.000 2.937 225 T HA 0.434 4.783 4.350 -0.003 0.000 0.297 225 T C -1.562 172.549 174.700 -0.983 0.000 0.991 225 T CA -0.421 61.282 62.100 -0.661 0.000 0.990 225 T CB 1.335 70.065 68.868 -0.230 0.000 0.991 225 T HN 0.572 nan 8.240 nan 0.000 0.440 226 L N 4.613 125.414 121.223 -0.704 0.000 2.280 226 L HA 0.638 4.977 4.340 -0.003 0.000 0.287 226 L C -1.397 175.429 176.870 -0.073 0.000 1.023 226 L CA -0.592 54.021 54.840 -0.378 0.000 0.819 226 L CB 0.472 42.482 42.059 -0.083 0.000 1.212 226 L HN 0.617 nan 8.230 nan 0.000 0.420 227 L N 5.411 126.585 121.223 -0.081 0.000 2.294 227 L HA 0.574 4.913 4.340 -0.003 0.000 0.283 227 L C 0.275 177.173 176.870 0.048 0.000 1.015 227 L CA -0.309 54.521 54.840 -0.017 0.000 0.831 227 L CB 1.653 43.664 42.059 -0.080 0.000 1.217 227 L HN 0.733 nan 8.230 nan 0.000 0.420 228 T N -1.237 113.392 114.554 0.124 0.000 2.952 228 T HA 0.647 4.995 4.350 -0.003 0.000 0.286 228 T C 0.859 175.613 174.700 0.090 0.000 1.024 228 T CA -0.115 62.063 62.100 0.131 0.000 1.029 228 T CB 1.802 70.801 68.868 0.218 0.000 1.094 228 T HN 0.846 nan 8.240 nan 0.000 0.515 229 G N 0.595 109.438 108.800 0.072 0.000 2.273 229 G HA2 -0.144 3.815 3.960 -0.003 0.000 0.280 229 G HA3 -0.144 3.815 3.960 -0.003 0.000 0.280 229 G C -0.275 174.655 174.900 0.050 0.000 1.047 229 G CA 0.284 45.412 45.100 0.047 0.000 0.869 229 G HN 0.946 nan 8.290 nan 0.000 0.502 230 L N -0.594 120.664 121.223 0.058 0.000 2.491 230 L HA 0.497 4.835 4.340 -0.003 0.000 0.267 230 L C 0.301 177.216 176.870 0.075 0.000 0.971 230 L CA -0.877 53.999 54.840 0.061 0.000 0.857 230 L CB 1.996 44.080 42.059 0.041 0.000 1.226 230 L HN 0.240 nan 8.230 nan 0.000 0.408 231 R N 2.765 123.317 120.500 0.085 0.000 2.255 231 R HA 0.723 5.061 4.340 -0.003 0.000 0.326 231 R C -0.201 176.101 176.300 0.003 0.000 0.986 231 R CA -0.366 55.802 56.100 0.114 0.000 0.847 231 R CB 1.584 32.007 30.300 0.206 0.000 1.111 231 R HN 0.701 nan 8.270 nan 0.000 0.452 232 A N 4.344 127.159 122.820 -0.008 0.000 2.450 232 A HA 0.136 4.454 4.320 -0.003 0.000 0.255 232 A C 0.772 178.240 177.584 -0.194 0.000 1.096 232 A CA -0.388 51.596 52.037 -0.088 0.000 0.778 232 A CB 0.253 19.224 19.000 -0.049 0.000 1.031 232 A HN 1.050 nan 8.150 nan 0.000 0.494 233 R N 1.073 121.367 120.500 -0.342 0.000 2.419 233 R HA 0.325 4.663 4.340 -0.003 0.000 0.235 233 R C 0.173 176.312 176.300 -0.268 0.000 0.899 233 R CA 0.133 55.888 56.100 -0.574 0.000 1.048 233 R CB 0.516 30.091 30.300 -1.209 0.000 1.182 233 R HN 0.707 nan 8.270 nan 0.000 0.544 234 Q N 0.765 120.464 119.800 -0.169 0.000 2.776 234 Q HA 0.248 4.586 4.340 -0.003 0.000 0.248 234 Q C -1.860 174.091 176.000 -0.080 0.000 0.990 234 Q CA -0.507 55.245 55.803 -0.085 0.000 0.953 234 Q CB 1.668 30.362 28.738 -0.073 0.000 1.801 234 Q HN 0.183 nan 8.270 nan 0.000 0.448 235 L N 1.882 123.077 121.223 -0.048 0.000 2.379 235 L HA 0.732 5.070 4.340 -0.003 0.000 0.269 235 L C -0.270 176.468 176.870 -0.221 0.000 1.084 235 L CA -0.804 53.943 54.840 -0.155 0.000 0.802 235 L CB 1.573 43.544 42.059 -0.146 0.000 1.175 235 L HN 0.327 nan 8.230 nan 0.000 0.448 236 V N 1.596 121.228 119.914 -0.469 0.000 2.735 236 V HA 0.532 4.650 4.120 -0.003 0.000 0.310 236 V C -0.914 174.792 176.094 -0.646 0.000 1.061 236 V CA -0.472 61.623 62.300 -0.341 0.000 0.913 236 V CB 2.042 33.774 31.823 -0.151 0.000 1.005 236 V HN 0.393 nan 8.190 nan 0.000 0.428 237 F N 0.858 120.803 119.950 -0.008 0.000 2.565 237 F HA 0.477 5.002 4.527 -0.003 0.000 0.313 237 F C 0.318 176.115 175.800 -0.006 0.000 1.091 237 F CA -0.999 56.997 58.000 -0.007 0.000 0.915 237 F CB 1.250 40.246 39.000 -0.007 0.000 1.208 237 F HN 0.388 nan 8.300 nan 0.000 0.453 238 D N 1.012 121.512 120.400 0.167 0.000 2.567 238 D HA 0.048 4.686 4.640 -0.003 0.000 0.228 238 D C 1.098 177.460 176.300 0.102 0.000 1.185 238 D CA 0.717 54.780 54.000 0.106 0.000 0.874 238 D CB 0.893 41.750 40.800 0.094 0.000 1.219 238 D HN 0.680 nan 8.370 nan 0.000 0.494 239 A N 2.429 125.285 122.820 0.059 0.000 2.019 239 A HA -0.179 4.140 4.320 -0.003 0.000 0.219 239 A C 1.663 179.266 177.584 0.032 0.000 1.164 239 A CA 1.269 53.329 52.037 0.038 0.000 0.644 239 A CB -0.073 18.942 19.000 0.025 0.000 0.805 239 A HN 0.550 nan 8.150 nan 0.000 0.449 240 D N -0.959 119.464 120.400 0.039 0.000 2.363 240 D HA -0.038 4.600 4.640 -0.003 0.000 0.220 240 D C 0.228 176.554 176.300 0.043 0.000 0.994 240 D CA 0.344 54.364 54.000 0.034 0.000 0.890 240 D CB 0.077 40.896 40.800 0.033 0.000 0.906 240 D HN 0.287 nan 8.370 nan 0.000 0.530 241 R N -0.314 120.228 120.500 0.070 0.000 3.919 241 R HA -0.151 4.187 4.340 -0.003 0.000 0.412 241 R C 0.130 176.543 176.300 0.187 0.000 1.102 241 R CA 0.262 56.413 56.100 0.086 0.000 1.082 241 R CB -2.408 27.891 30.300 -0.003 0.000 1.671 241 R HN 0.275 nan 8.270 nan 0.000 0.540 242 R N 0.757 121.359 120.500 0.170 0.000 2.537 242 R HA 0.097 4.436 4.340 -0.003 0.000 0.280 242 R C 0.497 176.939 176.300 0.235 0.000 1.058 242 R CA 0.232 56.431 56.100 0.164 0.000 1.057 242 R CB 0.707 31.049 30.300 0.071 0.000 0.973 242 R HN 0.231 nan 8.270 nan 0.000 0.438 243 C N 4.071 123.471 119.300 0.167 0.000 2.657 243 C HA 0.069 4.528 4.460 -0.003 0.000 0.404 243 C C 1.975 176.851 174.990 -0.190 0.000 1.369 243 C CA 0.019 58.875 59.018 -0.270 0.000 1.665 243 C CB -0.703 26.910 27.740 -0.211 0.000 2.453 243 C HN 0.901 nan 8.230 nan 0.000 0.599 244 T N 2.548 116.957 114.554 -0.241 0.000 2.990 244 T HA 0.512 4.861 4.350 -0.003 0.000 0.250 244 T C 0.779 175.405 174.700 -0.124 0.000 1.041 244 T CA 0.554 62.577 62.100 -0.128 0.000 1.010 244 T CB 0.273 69.094 68.868 -0.080 0.000 1.003 244 T HN 1.314 nan 8.240 nan 0.000 0.499 245 G N 0.188 108.877 108.800 -0.185 0.000 2.356 245 G HA2 0.453 4.411 3.960 -0.003 0.000 0.281 245 G HA3 0.453 4.411 3.960 -0.003 0.000 0.281 245 G C -2.058 172.749 174.900 -0.156 0.000 1.246 245 G CA 0.028 45.055 45.100 -0.122 0.000 0.889 245 G HN 0.613 nan 8.290 nan 0.000 0.486 246 V N -0.102 119.756 119.914 -0.093 0.000 3.007 246 V HA 0.715 4.834 4.120 -0.003 0.000 0.311 246 V C -1.623 174.432 176.094 -0.065 0.000 1.120 246 V CA -0.811 61.432 62.300 -0.094 0.000 0.980 246 V CB 2.248 34.026 31.823 -0.074 0.000 1.033 246 V HN 0.681 nan 8.190 nan 0.000 0.429 247 D N 4.914 125.264 120.400 -0.083 0.000 2.280 247 D HA 0.531 5.170 4.640 -0.003 0.000 0.236 247 D C -0.144 176.096 176.300 -0.101 0.000 1.082 247 D CA 0.241 54.194 54.000 -0.078 0.000 0.834 247 D CB 1.418 42.156 40.800 -0.104 0.000 1.100 247 D HN 0.712 nan 8.370 nan 0.000 0.486 248 I N -0.753 119.792 120.570 -0.042 0.000 2.797 248 I HA 0.724 4.893 4.170 -0.003 0.000 0.307 248 I C -0.297 175.818 176.117 -0.002 0.000 1.033 248 I CA -1.202 60.077 61.300 -0.035 0.000 1.071 248 I CB 2.026 40.041 38.000 0.025 0.000 1.255 248 I HN 0.072 nan 8.210 nan 0.000 0.445 249 V N 0.518 120.428 119.914 -0.007 0.000 2.769 249 V HA 0.517 4.636 4.120 -0.003 0.000 0.312 249 V C -0.088 176.076 176.094 0.117 0.000 1.061 249 V CA -0.399 61.937 62.300 0.061 0.000 0.931 249 V CB 1.661 33.511 31.823 0.045 0.000 1.010 249 V HN 0.838 nan 8.190 nan 0.000 0.433 250 D N 2.243 122.736 120.400 0.155 0.000 2.149 250 D HA 0.073 4.712 4.640 -0.003 0.000 0.201 250 D C 0.954 177.307 176.300 0.089 0.000 0.972 250 D CA 1.772 55.855 54.000 0.139 0.000 0.835 250 D CB -0.073 40.838 40.800 0.185 0.000 0.966 250 D HN 0.952 nan 8.370 nan 0.000 0.476 251 S N -1.845 113.899 115.700 0.074 0.000 2.588 251 S HA 0.651 5.120 4.470 -0.003 0.000 0.269 251 S C 0.856 175.445 174.600 -0.019 0.000 1.157 251 S CA -0.457 57.763 58.200 0.034 0.000 0.824 251 S CB 1.724 64.952 63.200 0.046 0.000 1.126 251 S HN 0.025 nan 8.310 nan 0.000 0.464 252 A N 0.401 123.132 122.820 -0.149 0.000 2.009 252 A HA -0.034 4.285 4.320 -0.003 0.000 0.222 252 A C 0.943 178.051 177.584 -0.793 0.000 1.175 252 A CA 1.828 53.566 52.037 -0.498 0.000 0.651 252 A CB -0.993 17.540 19.000 -0.778 0.000 0.815 252 A HN 0.856 nan 8.150 nan 0.000 0.459 253 F N -1.326 118.637 119.950 0.022 0.000 2.698 253 F HA 0.387 4.913 4.527 -0.003 0.000 0.304 253 F C 1.415 177.175 175.800 -0.066 0.000 1.108 253 F CA -0.234 57.756 58.000 -0.018 0.000 1.263 253 F CB 0.242 39.218 39.000 -0.039 0.000 1.013 253 F HN 0.260 nan 8.300 nan 0.000 0.532 254 G N -0.867 107.950 108.800 0.028 0.000 2.531 254 G HA2 0.270 4.228 3.960 -0.003 0.000 0.281 254 G HA3 0.270 4.228 3.960 -0.003 0.000 0.281 254 G C -0.518 174.279 174.900 -0.173 0.000 1.382 254 G CA -0.461 44.581 45.100 -0.096 0.000 1.045 254 G HN 0.145 nan 8.290 nan 0.000 0.533 255 H N -0.858 118.226 119.070 0.023 0.000 2.547 255 H HA 0.292 4.847 4.556 -0.003 0.000 0.362 255 H C -0.049 175.105 175.328 -0.290 0.000 1.181 255 H CA 0.191 56.167 56.048 -0.119 0.000 1.376 255 H CB 0.910 30.578 29.762 -0.157 0.000 1.488 255 H HN 0.237 nan 8.280 nan 0.000 0.583 256 T N 3.328 117.748 114.554 -0.223 0.000 2.882 256 T HA 0.261 4.610 4.350 -0.003 0.000 0.287 256 T C 0.033 174.448 174.700 -0.476 0.000 0.992 256 T CA -0.546 61.406 62.100 -0.247 0.000 1.076 256 T CB 0.538 69.338 68.868 -0.114 0.000 0.961 256 T HN 0.457 nan 8.240 nan 0.000 0.490 257 H N 1.282 120.362 119.070 0.017 0.000 2.821 257 H HA 0.505 5.059 4.556 -0.003 0.000 0.373 257 H C -0.277 175.047 175.328 -0.007 0.000 1.165 257 H CA -0.823 55.231 56.048 0.011 0.000 1.154 257 H CB 2.123 31.897 29.762 0.019 0.000 1.765 257 H HN 0.427 nan 8.280 nan 0.000 0.549 258 R N 1.548 122.120 120.500 0.121 0.000 2.532 258 R HA 0.556 4.894 4.340 -0.003 0.000 0.295 258 R C -1.096 175.246 176.300 0.071 0.000 0.968 258 R CA -0.596 55.539 56.100 0.059 0.000 0.916 258 R CB 0.873 31.186 30.300 0.021 0.000 1.124 258 R HN 0.446 nan 8.270 nan 0.000 0.463 259 L N 2.488 123.747 121.223 0.059 0.000 2.346 259 L HA 0.525 4.863 4.340 -0.003 0.000 0.274 259 L C -0.051 176.857 176.870 0.063 0.000 1.007 259 L CA -1.020 53.882 54.840 0.103 0.000 0.818 259 L CB 2.036 44.183 42.059 0.146 0.000 1.284 259 L HN 0.745 nan 8.230 nan 0.000 0.424 260 T N -0.359 114.240 114.554 0.076 0.000 2.856 260 T HA 0.818 5.166 4.350 -0.003 0.000 0.283 260 T C -0.417 174.321 174.700 0.064 0.000 1.008 260 T CA -0.641 61.476 62.100 0.027 0.000 0.997 260 T CB 1.906 70.763 68.868 -0.018 0.000 0.992 260 T HN 0.723 nan 8.240 nan 0.000 0.454 261 A N 2.961 125.789 122.820 0.013 0.000 2.317 261 A HA 0.633 4.952 4.320 -0.003 0.000 0.327 261 A C 1.064 178.610 177.584 -0.063 0.000 1.178 261 A CA -0.997 51.036 52.037 -0.007 0.000 0.817 261 A CB 1.031 20.017 19.000 -0.022 0.000 1.189 261 A HN 0.978 nan 8.150 nan 0.000 0.489 262 R N 0.898 121.337 120.500 -0.102 0.000 2.223 262 R HA 0.033 4.371 4.340 -0.003 0.000 0.198 262 R C 0.501 176.716 176.300 -0.143 0.000 0.984 262 R CA 0.926 56.961 56.100 -0.109 0.000 1.018 262 R CB 0.197 30.433 30.300 -0.106 0.000 0.945 262 R HN 0.803 nan 8.270 nan 0.000 0.479 263 N N -0.334 118.219 118.700 -0.245 0.000 2.984 263 N HA 0.096 4.834 4.740 -0.003 0.000 0.235 263 N C -0.577 174.845 175.510 -0.147 0.000 1.025 263 N CA 0.515 53.401 53.050 -0.274 0.000 1.173 263 N CB 0.820 38.922 38.487 -0.642 0.000 1.615 263 N HN -0.042 nan 8.380 nan 0.000 0.560 264 E N -0.052 120.048 120.200 -0.166 0.000 2.356 264 E HA 0.435 4.783 4.350 -0.003 0.000 0.275 264 E C -1.309 175.357 176.600 0.111 0.000 0.904 264 E CA -0.662 55.787 56.400 0.082 0.000 0.757 264 E CB 3.105 32.973 29.700 0.281 0.000 1.232 264 E HN -0.208 nan 8.360 nan 0.000 0.442 265 V N 1.897 121.854 119.914 0.071 0.000 2.472 265 V HA 0.276 4.394 4.120 -0.003 0.000 0.290 265 V C -0.312 175.822 176.094 0.067 0.000 1.037 265 V CA -0.669 61.663 62.300 0.054 0.000 0.908 265 V CB 1.710 33.522 31.823 -0.017 0.000 0.985 265 V HN 0.410 nan 8.190 nan 0.000 0.454 266 V N 5.953 125.901 119.914 0.057 0.000 2.384 266 V HA 0.361 4.480 4.120 -0.003 0.000 0.287 266 V C -0.320 175.780 176.094 0.009 0.000 1.020 266 V CA -0.620 61.700 62.300 0.033 0.000 0.850 266 V CB 1.570 33.405 31.823 0.020 0.000 0.987 266 V HN 0.622 nan 8.190 nan 0.000 0.436 267 L N 5.193 126.417 121.223 0.002 0.000 2.283 267 L HA 0.470 4.809 4.340 -0.003 0.000 0.287 267 L C 0.595 177.452 176.870 -0.021 0.000 1.073 267 L CA 0.876 55.709 54.840 -0.011 0.000 0.822 267 L CB 1.132 43.184 42.059 -0.011 0.000 1.186 267 L HN 0.657 nan 8.230 nan 0.000 0.436 268 S N 1.782 117.470 115.700 -0.019 0.000 2.422 268 S HA 0.135 4.604 4.470 -0.003 0.000 0.226 268 S C 0.848 175.439 174.600 -0.014 0.000 1.242 268 S CA -0.037 58.150 58.200 -0.022 0.000 1.231 268 S CB 0.152 63.341 63.200 -0.019 0.000 1.067 268 S HN 0.767 nan 8.310 nan 0.000 0.462 269 T N -0.562 113.975 114.554 -0.028 0.000 3.105 269 T HA 0.531 4.879 4.350 -0.003 0.000 0.253 269 T C 1.084 175.753 174.700 -0.051 0.000 1.047 269 T CA 0.058 62.144 62.100 -0.025 0.000 0.944 269 T CB 0.134 68.977 68.868 -0.042 0.000 1.016 269 T HN 0.755 nan 8.240 nan 0.000 0.544 270 G N 0.908 109.675 108.800 -0.056 0.000 2.796 270 G HA2 0.111 4.069 3.960 -0.003 0.000 0.571 270 G HA3 0.111 4.069 3.960 -0.003 0.000 0.571 270 G C 0.813 175.641 174.900 -0.120 0.000 1.370 270 G CA -0.465 44.593 45.100 -0.070 0.000 0.856 270 G HN 0.751 nan 8.290 nan 0.000 0.538 271 A N -0.760 121.983 122.820 -0.129 0.000 2.070 271 A HA 0.206 4.524 4.320 -0.003 0.000 0.220 271 A C 2.406 179.857 177.584 -0.223 0.000 1.159 271 A CA 2.269 54.203 52.037 -0.171 0.000 0.656 271 A CB -0.241 18.658 19.000 -0.168 0.000 0.800 271 A HN 0.891 nan 8.150 nan 0.000 0.453 272 I N -1.736 118.674 120.570 -0.267 0.000 2.810 272 I HA -0.024 4.144 4.170 -0.003 0.000 0.262 272 I C 1.527 177.412 176.117 -0.386 0.000 1.131 272 I CA 0.683 61.751 61.300 -0.387 0.000 1.453 272 I CB -0.024 37.639 38.000 -0.561 0.000 1.161 272 I HN 0.138 nan 8.210 nan 0.000 0.444 273 D N 0.125 120.313 120.400 -0.354 0.000 2.305 273 D HA -0.046 4.593 4.640 -0.003 0.000 0.206 273 D C 1.991 178.173 176.300 -0.195 0.000 0.974 273 D CA 0.972 54.784 54.000 -0.314 0.000 0.871 273 D CB 0.375 40.965 40.800 -0.350 0.000 0.947 273 D HN 0.198 nan 8.370 nan 0.000 0.516 274 T N 1.336 115.791 114.554 -0.164 0.000 2.770 274 T HA -0.051 4.298 4.350 -0.003 0.000 0.263 274 T C -1.009 173.627 174.700 -0.106 0.000 1.039 274 T CA 0.967 62.998 62.100 -0.115 0.000 1.142 274 T CB -0.679 68.126 68.868 -0.104 0.000 0.868 274 T HN 0.204 nan 8.240 nan 0.000 0.435 275 P HA -0.033 nan 4.420 nan 0.000 0.219 275 P C 1.354 178.599 177.300 -0.090 0.000 1.150 275 P CA 1.139 64.175 63.100 -0.106 0.000 0.814 275 P CB -0.001 31.621 31.700 -0.130 0.000 0.787 276 K N -0.109 120.218 120.400 -0.121 0.000 2.063 276 K HA -0.162 4.157 4.320 -0.003 0.000 0.208 276 K C 2.085 178.649 176.600 -0.060 0.000 1.048 276 K CA 1.141 57.367 56.287 -0.100 0.000 0.928 276 K CB -0.678 31.733 32.500 -0.147 0.000 0.713 276 K HN -0.035 nan 8.250 nan 0.000 0.442 277 L N 1.171 122.355 121.223 -0.065 0.000 2.109 277 L HA -0.044 4.294 4.340 -0.003 0.000 0.207 277 L C 1.980 178.847 176.870 -0.006 0.000 1.086 277 L CA 1.254 56.071 54.840 -0.038 0.000 0.760 277 L CB -0.160 41.870 42.059 -0.048 0.000 0.910 277 L HN 0.234 nan 8.230 nan 0.000 0.437 278 L N -1.625 119.594 121.223 -0.008 0.000 2.056 278 L HA -0.199 4.140 4.340 -0.003 0.000 0.207 278 L C 2.444 179.326 176.870 0.019 0.000 1.078 278 L CA 1.381 56.233 54.840 0.020 0.000 0.749 278 L CB -0.312 41.747 42.059 -0.001 0.000 0.901 278 L HN 0.294 nan 8.230 nan 0.000 0.433 279 M N -0.871 118.731 119.600 0.004 0.000 2.254 279 M HA -0.168 4.310 4.480 -0.003 0.000 0.265 279 M C 2.103 178.408 176.300 0.009 0.000 1.066 279 M CA 1.469 56.779 55.300 0.016 0.000 1.123 279 M CB -0.186 32.440 32.600 0.043 0.000 1.388 279 M HN 0.223 nan 8.290 nan 0.000 0.425 280 L N -0.698 120.528 121.223 0.006 0.000 2.362 280 L HA -0.095 4.244 4.340 -0.003 0.000 0.219 280 L C 1.810 178.700 176.870 0.032 0.000 1.134 280 L CA 0.590 55.438 54.840 0.013 0.000 0.807 280 L CB -0.324 41.746 42.059 0.018 0.000 0.927 280 L HN 0.196 nan 8.230 nan 0.000 0.447 281 S N -0.719 115.013 115.700 0.052 0.000 2.556 281 S HA 0.270 4.739 4.470 -0.003 0.000 0.216 281 S C 1.357 176.009 174.600 0.087 0.000 0.970 281 S CA 0.542 58.809 58.200 0.112 0.000 0.912 281 S CB 0.843 64.161 63.200 0.197 0.000 0.790 281 S HN 0.571 nan 8.310 nan 0.000 0.504 282 G N 1.586 110.400 108.800 0.023 0.000 2.148 282 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.203 282 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.203 282 G C -0.104 174.760 174.900 -0.061 0.000 0.993 282 G CA -0.492 44.593 45.100 -0.024 0.000 0.661 282 G HN 0.483 nan 8.290 nan 0.000 0.518 283 I N 1.136 121.682 120.570 -0.040 0.000 2.437 283 I HA 0.638 4.807 4.170 -0.003 0.000 0.279 283 I C 0.626 176.730 176.117 -0.022 0.000 1.028 283 I CA -0.019 61.249 61.300 -0.053 0.000 1.142 283 I CB 1.130 39.095 38.000 -0.057 0.000 1.266 283 I HN 0.427 nan 8.210 nan 0.000 0.461 284 G N 6.319 115.109 108.800 -0.017 0.000 2.320 284 G HA2 0.319 4.277 3.960 -0.003 0.000 0.296 284 G HA3 0.319 4.277 3.960 -0.003 0.000 0.296 284 G C -3.391 171.515 174.900 0.010 0.000 1.306 284 G CA -0.779 44.324 45.100 0.006 0.000 0.836 284 G HN 0.112 nan 8.290 nan 0.000 0.517 285 P HA 0.355 nan 4.420 nan 0.000 0.265 285 P C 1.008 178.337 177.300 0.049 0.000 1.222 285 P CA 0.665 63.782 63.100 0.027 0.000 0.767 285 P CB 1.197 32.912 31.700 0.025 0.000 0.801 286 A N 5.614 128.444 122.820 0.015 0.000 1.894 286 A HA -0.311 4.008 4.320 -0.003 0.000 0.220 286 A C 2.156 179.747 177.584 0.012 0.000 1.237 286 A CA 2.731 54.770 52.037 0.005 0.000 0.660 286 A CB -1.720 17.275 19.000 -0.008 0.000 0.835 286 A HN 0.505 nan 8.150 nan 0.000 0.461 287 A N -1.978 120.853 122.820 0.019 0.000 2.070 287 A HA -0.124 4.195 4.320 -0.003 0.000 0.220 287 A C 1.964 179.572 177.584 0.040 0.000 1.159 287 A CA 2.169 54.215 52.037 0.014 0.000 0.656 287 A CB -0.735 18.271 19.000 0.010 0.000 0.800 287 A HN 0.838 nan 8.150 nan 0.000 0.453 288 H N -0.364 118.696 119.070 -0.016 0.000 2.403 288 H HA 0.162 4.716 4.556 -0.003 0.000 0.298 288 H C 1.639 177.004 175.328 0.061 0.000 1.059 288 H CA 1.444 57.500 56.048 0.013 0.000 1.363 288 H CB -0.180 29.594 29.762 0.019 0.000 1.410 288 H HN 0.352 nan 8.280 nan 0.000 0.528 289 L N -0.410 120.776 121.223 -0.062 0.000 2.093 289 L HA -0.051 4.288 4.340 -0.003 0.000 0.208 289 L C 2.682 179.506 176.870 -0.078 0.000 1.085 289 L CA 1.004 55.794 54.840 -0.084 0.000 0.755 289 L CB -0.525 41.518 42.059 -0.026 0.000 0.904 289 L HN 0.394 nan 8.230 nan 0.000 0.435 290 A N -0.328 122.451 122.820 -0.069 0.000 1.968 290 A HA -0.208 4.111 4.320 -0.003 0.000 0.217 290 A C 2.252 179.771 177.584 -0.109 0.000 1.169 290 A CA 1.320 53.318 52.037 -0.066 0.000 0.638 290 A CB -0.430 18.542 19.000 -0.047 0.000 0.812 290 A HN 0.469 nan 8.150 nan 0.000 0.446 291 E N -0.604 119.491 120.200 -0.174 0.000 2.209 291 E HA -0.225 4.124 4.350 -0.003 0.000 0.196 291 E C 0.544 176.861 176.600 -0.472 0.000 0.993 291 E CA 1.067 57.282 56.400 -0.308 0.000 0.819 291 E CB -0.154 29.345 29.700 -0.336 0.000 0.745 291 E HN 0.765 nan 8.360 nan 0.000 0.477 292 H N -1.314 117.663 119.070 -0.156 0.000 2.486 292 H HA 0.218 4.772 4.556 -0.003 0.000 0.284 292 H C 0.810 176.088 175.328 -0.082 0.000 1.103 292 H CA 0.464 56.436 56.048 -0.127 0.000 1.089 292 H CB 1.057 30.713 29.762 -0.178 0.000 1.603 292 H HN 0.339 nan 8.280 nan 0.000 0.557 293 G N 1.704 110.499 108.800 -0.007 0.000 2.179 293 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.257 293 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.257 293 G C 0.116 175.019 174.900 0.005 0.000 1.010 293 G CA 0.124 45.222 45.100 -0.002 0.000 0.736 293 G HN 0.366 nan 8.290 nan 0.000 0.513 294 I N 0.986 121.556 120.570 0.001 0.000 2.336 294 I HA 0.315 4.483 4.170 -0.003 0.000 0.292 294 I C 0.191 176.303 176.117 -0.010 0.000 0.991 294 I CA -0.986 60.314 61.300 -0.000 0.000 1.227 294 I CB 1.152 39.151 38.000 -0.002 0.000 1.366 294 I HN -0.036 nan 8.210 nan 0.000 0.466 295 E N 5.536 125.732 120.200 -0.006 0.000 2.360 295 E HA 0.140 4.488 4.350 -0.003 0.000 0.269 295 E C -0.508 176.079 176.600 -0.022 0.000 1.022 295 E CA -0.290 56.102 56.400 -0.013 0.000 0.887 295 E CB 1.088 30.783 29.700 -0.008 0.000 0.990 295 E HN 0.197 nan 8.360 nan 0.000 0.426 296 V N 4.752 124.648 119.914 -0.029 0.000 2.427 296 V HA -0.040 4.078 4.120 -0.003 0.000 0.268 296 V C 1.253 177.311 176.094 -0.061 0.000 1.046 296 V CA -0.058 62.217 62.300 -0.041 0.000 0.970 296 V CB 0.845 32.647 31.823 -0.036 0.000 1.001 296 V HN 0.578 nan 8.190 nan 0.000 0.476 297 L N 6.905 128.073 121.223 -0.093 0.000 2.121 297 L HA 0.283 4.622 4.340 -0.003 0.000 0.200 297 L C 0.609 177.391 176.870 -0.147 0.000 1.077 297 L CA 1.774 56.526 54.840 -0.147 0.000 0.766 297 L CB 0.449 42.353 42.059 -0.258 0.000 0.931 297 L HN 0.421 nan 8.230 nan 0.000 0.452 298 V N 0.933 120.761 119.914 -0.143 0.000 2.588 298 V HA 0.314 4.433 4.120 -0.003 0.000 0.304 298 V C -1.152 174.899 176.094 -0.072 0.000 1.042 298 V CA -0.928 61.307 62.300 -0.108 0.000 0.877 298 V CB 1.384 33.134 31.823 -0.123 0.000 0.996 298 V HN 0.199 nan 8.190 nan 0.000 0.425 299 D N 3.033 123.402 120.400 -0.053 0.000 2.402 299 D HA 0.126 4.765 4.640 -0.003 0.000 0.235 299 D C -0.055 176.225 176.300 -0.033 0.000 1.226 299 D CA 0.441 54.420 54.000 -0.036 0.000 0.918 299 D CB 1.051 41.833 40.800 -0.029 0.000 1.043 299 D HN 0.463 nan 8.370 nan 0.000 0.506 300 S N 4.954 120.634 115.700 -0.032 0.000 2.328 300 S HA 0.298 4.766 4.470 -0.003 0.000 0.204 300 S C -1.725 172.859 174.600 -0.027 0.000 1.475 300 S CA -1.367 56.815 58.200 -0.031 0.000 1.148 300 S CB 0.953 64.130 63.200 -0.038 0.000 1.077 300 S HN 0.375 nan 8.310 nan 0.000 0.479 301 P HA 0.014 nan 4.420 nan 0.000 0.231 301 P C 1.279 178.550 177.300 -0.049 0.000 1.158 301 P CA 0.596 63.677 63.100 -0.032 0.000 0.763 301 P CB -0.124 31.561 31.700 -0.025 0.000 0.805 302 G N -0.078 108.710 108.800 -0.020 0.000 2.623 302 G HA2 0.007 3.966 3.960 -0.003 0.000 0.214 302 G HA3 0.007 3.966 3.960 -0.003 0.000 0.214 302 G C 0.486 175.356 174.900 -0.050 0.000 1.138 302 G CA -0.046 45.063 45.100 0.015 0.000 0.794 302 G HN 0.161 nan 8.290 nan 0.000 0.535 303 V N 1.386 121.263 119.914 -0.061 0.000 2.450 303 V HA 0.443 4.562 4.120 -0.003 0.000 0.281 303 V C 1.527 177.551 176.094 -0.116 0.000 1.019 303 V CA 1.275 63.530 62.300 -0.074 0.000 1.062 303 V CB 0.244 32.036 31.823 -0.051 0.000 0.979 303 V HN 0.709 nan 8.190 nan 0.000 0.477 304 G N 3.724 112.441 108.800 -0.139 0.000 2.159 304 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.256 304 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.256 304 G C 0.100 174.859 174.900 -0.235 0.000 0.977 304 G CA -0.008 44.984 45.100 -0.181 0.000 0.652 304 G HN 0.590 nan 8.290 nan 0.000 0.531 305 E N -0.393 119.638 120.200 -0.282 0.000 2.254 305 E HA 0.529 4.877 4.350 -0.003 0.000 0.261 305 E C 0.866 177.194 176.600 -0.453 0.000 1.051 305 E CA -0.408 55.694 56.400 -0.497 0.000 0.902 305 E CB 0.312 29.514 29.700 -0.830 0.000 1.168 305 E HN 0.592 nan 8.360 nan 0.000 0.423 306 H N -1.542 117.436 119.070 -0.153 0.000 2.862 306 H HA -0.208 4.347 4.556 -0.003 0.000 0.290 306 H C 0.041 175.257 175.328 -0.186 0.000 1.211 306 H CA 0.061 56.011 56.048 -0.164 0.000 1.140 306 H CB -2.017 27.636 29.762 -0.181 0.000 1.341 306 H HN 0.127 nan 8.280 nan 0.000 0.392 307 L N 1.691 122.835 121.223 -0.133 0.000 2.513 307 L HA 0.151 4.490 4.340 -0.003 0.000 0.272 307 L C 0.200 176.989 176.870 -0.134 0.000 1.187 307 L CA 0.768 55.510 54.840 -0.163 0.000 0.895 307 L CB 0.516 42.450 42.059 -0.208 0.000 1.147 307 L HN 0.361 nan 8.230 nan 0.000 0.483 308 Q N 3.929 123.653 119.800 -0.127 0.000 2.389 308 Q HA 0.548 4.887 4.340 -0.003 0.000 0.277 308 Q C -1.433 174.585 176.000 0.031 0.000 1.082 308 Q CA -0.911 54.866 55.803 -0.043 0.000 0.810 308 Q CB 2.625 31.343 28.738 -0.033 0.000 1.374 308 Q HN 0.618 nan 8.270 nan 0.000 0.422 309 D N -0.424 120.071 120.400 0.159 0.000 2.592 309 D HA 0.303 4.941 4.640 -0.003 0.000 0.263 309 D C -1.398 174.977 176.300 0.124 0.000 1.132 309 D CA -0.633 53.505 54.000 0.230 0.000 0.996 309 D CB 1.507 42.526 40.800 0.365 0.000 1.442 309 D HN 0.526 nan 8.370 nan 0.000 0.486 310 H N 0.865 120.019 119.070 0.140 0.000 2.724 310 H HA 0.330 4.885 4.556 -0.002 0.000 0.278 310 H C -1.736 173.558 175.328 -0.058 0.000 1.159 310 H CA -1.690 54.345 56.048 -0.023 0.000 1.254 310 H CB 0.998 30.709 29.762 -0.085 0.000 1.412 310 H HN 0.037 nan 8.280 nan 0.000 0.488 311 P HA -0.030 nan 4.420 nan 0.000 0.269 311 P C -0.240 177.038 177.300 -0.037 0.000 1.215 311 P CA 0.050 63.044 63.100 -0.175 0.000 0.780 311 P CB 1.498 32.922 31.700 -0.460 0.000 0.898 312 E N 0.577 120.771 120.200 -0.010 0.000 2.308 312 E HA 0.556 4.904 4.350 -0.003 0.000 0.275 312 E C -0.770 175.895 176.600 0.109 0.000 0.890 312 E CA -0.859 55.563 56.400 0.037 0.000 0.754 312 E CB 1.710 31.379 29.700 -0.052 0.000 1.207 312 E HN 0.572 nan 8.360 nan 0.000 0.426 313 G N 1.205 110.081 108.800 0.126 0.000 2.667 313 G HA2 0.622 4.580 3.960 -0.003 0.000 0.310 313 G HA3 0.622 4.580 3.960 -0.003 0.000 0.310 313 G C -1.262 173.731 174.900 0.154 0.000 1.259 313 G CA -0.489 44.688 45.100 0.128 0.000 1.019 313 G HN 0.362 nan 8.290 nan 0.000 0.496 314 V N -0.579 119.444 119.914 0.181 0.000 2.760 314 V HA 0.690 4.809 4.120 -0.003 0.000 0.309 314 V C -1.198 175.019 176.094 0.205 0.000 1.077 314 V CA -0.561 61.871 62.300 0.220 0.000 0.910 314 V CB 2.072 34.060 31.823 0.275 0.000 1.008 314 V HN 0.597 nan 8.190 nan 0.000 0.424 315 V N 6.585 126.578 119.914 0.131 0.000 2.531 315 V HA 0.583 4.702 4.120 -0.003 0.000 0.301 315 V C -0.555 175.460 176.094 -0.130 0.000 1.034 315 V CA -0.535 61.741 62.300 -0.039 0.000 0.865 315 V CB 1.727 33.558 31.823 0.014 0.000 0.995 315 V HN 0.959 nan 8.190 nan 0.000 0.424 316 Q N 3.822 123.405 119.800 -0.361 0.000 2.340 316 Q HA 0.704 5.043 4.340 -0.003 0.000 0.268 316 Q C -1.679 173.925 176.000 -0.661 0.000 1.031 316 Q CA -0.399 55.204 55.803 -0.334 0.000 0.804 316 Q CB 2.873 31.525 28.738 -0.143 0.000 1.286 316 Q HN 0.639 nan 8.270 nan 0.000 0.448 317 F N 0.359 120.027 119.950 -0.470 0.000 2.546 317 F HA 0.320 4.845 4.527 -0.002 0.000 0.320 317 F C 0.498 176.117 175.800 -0.301 0.000 1.076 317 F CA -0.915 56.797 58.000 -0.480 0.000 0.928 317 F CB 1.675 40.165 39.000 -0.851 0.000 1.189 317 F HN 0.355 nan 8.300 nan 0.000 0.465 318 E N 1.313 121.569 120.200 0.092 0.000 2.338 318 E HA 0.471 4.819 4.350 -0.003 0.000 0.272 318 E C -0.511 176.267 176.600 0.297 0.000 1.029 318 E CA -0.489 56.001 56.400 0.151 0.000 0.872 318 E CB 1.263 31.037 29.700 0.122 0.000 1.015 318 E HN 0.644 nan 8.360 nan 0.000 0.417 319 A N 3.096 126.138 122.820 0.370 0.000 2.354 319 A HA 0.125 4.444 4.320 -0.003 0.000 0.269 319 A C 0.656 178.418 177.584 0.297 0.000 1.109 319 A CA -0.240 52.099 52.037 0.503 0.000 0.800 319 A CB 0.616 19.968 19.000 0.587 0.000 1.045 319 A HN 0.651 nan 8.150 nan 0.000 0.489 320 K N 0.005 120.546 120.400 0.235 0.000 2.418 320 K HA 0.024 4.343 4.320 -0.003 0.000 0.195 320 K C 0.631 177.179 176.600 -0.088 0.000 1.035 320 K CA 1.017 57.327 56.287 0.037 0.000 1.003 320 K CB 0.106 32.585 32.500 -0.036 0.000 0.793 320 K HN 0.827 nan 8.250 nan 0.000 0.494 321 Q N -1.028 118.706 119.800 -0.109 0.000 2.892 321 Q HA 0.356 4.694 4.340 -0.003 0.000 0.307 321 Q C -2.707 173.375 176.000 0.137 0.000 1.039 321 Q CA -2.429 53.278 55.803 -0.161 0.000 0.792 321 Q CB 1.542 29.886 28.738 -0.656 0.000 1.504 321 Q HN -0.211 nan 8.270 nan 0.000 0.487 322 P HA 0.094 nan 4.420 nan 0.000 0.276 322 P C -0.921 176.585 177.300 0.344 0.000 1.243 322 P CA 0.261 63.491 63.100 0.217 0.000 0.768 322 P CB 0.461 32.245 31.700 0.138 0.000 0.856 323 M N 2.874 122.646 119.600 0.286 0.000 2.241 323 M HA 0.100 4.578 4.480 -0.003 0.000 0.335 323 M C 0.504 176.906 176.300 0.170 0.000 1.122 323 M CA -0.607 54.829 55.300 0.226 0.000 1.164 323 M CB 0.377 33.091 32.600 0.190 0.000 1.459 323 M HN 0.140 nan 8.290 nan 0.000 0.461 324 V N 0.944 120.933 119.914 0.125 0.000 2.843 324 V HA 0.089 4.207 4.120 -0.003 0.000 0.305 324 V C 0.988 177.188 176.094 0.177 0.000 1.120 324 V CA 0.208 62.581 62.300 0.121 0.000 1.254 324 V CB -0.676 31.191 31.823 0.072 0.000 0.901 324 V HN 0.966 nan 8.190 nan 0.000 0.503 325 A N 2.849 125.767 122.820 0.164 0.000 2.379 325 A HA 0.419 4.737 4.320 -0.003 0.000 0.236 325 A C 0.632 178.390 177.584 0.290 0.000 1.272 325 A CA -0.045 52.117 52.037 0.208 0.000 0.886 325 A CB -0.381 18.701 19.000 0.136 0.000 0.962 325 A HN 0.975 nan 8.150 nan 0.000 0.504 326 E N -1.057 119.265 120.200 0.203 0.000 2.363 326 E HA 0.521 4.870 4.350 -0.003 0.000 0.281 326 E C -1.527 174.936 176.600 -0.227 0.000 0.953 326 E CA -0.319 56.100 56.400 0.032 0.000 0.778 326 E CB 2.015 31.727 29.700 0.020 0.000 1.220 326 E HN 0.134 nan 8.360 nan 0.000 0.431 327 S N -0.331 115.034 115.700 -0.559 0.000 2.611 327 S HA 0.268 4.736 4.470 -0.003 0.000 0.268 327 S C 0.576 174.835 174.600 -0.568 0.000 1.156 327 S CA 0.137 57.930 58.200 -0.677 0.000 0.817 327 S CB 1.262 63.748 63.200 -1.191 0.000 1.122 327 S HN 0.620 nan 8.310 nan 0.000 0.466 328 T N 0.379 114.726 114.554 -0.346 0.000 2.851 328 T HA 0.047 4.396 4.350 -0.003 0.000 0.262 328 T C 0.796 175.386 174.700 -0.184 0.000 1.043 328 T CA 1.613 63.597 62.100 -0.194 0.000 1.140 328 T CB -0.342 68.494 68.868 -0.054 0.000 0.872 328 T HN 0.727 nan 8.240 nan 0.000 0.446 329 Q N -1.738 117.939 119.800 -0.205 0.000 1.858 329 Q HA 0.327 4.665 4.340 -0.003 0.000 0.190 329 Q C -0.001 176.270 176.000 0.451 0.000 0.817 329 Q CA -0.807 55.088 55.803 0.154 0.000 0.910 329 Q CB -1.316 27.634 28.738 0.354 0.000 1.248 329 Q HN 0.583 nan 8.270 nan 0.000 0.397 330 W N -1.903 119.568 121.300 0.286 0.000 1.839 330 W HA -0.232 4.426 4.660 -0.003 0.000 0.248 330 W C -0.684 175.667 176.519 -0.279 0.000 0.999 330 W CA 0.797 58.151 57.345 0.014 0.000 0.444 330 W CB -1.708 27.753 29.460 0.001 0.000 2.008 330 W HN 0.426 nan 8.180 nan 0.000 1.324 331 W N 1.072 122.541 121.300 0.282 0.000 1.713 331 W HA 0.471 5.130 4.660 -0.002 0.000 0.303 331 W C 0.832 177.588 176.519 0.396 0.000 0.915 331 W CA -0.592 56.911 57.345 0.263 0.000 1.751 331 W CB -0.358 29.284 29.460 0.302 0.000 1.955 331 W HN -0.128 nan 8.180 nan 0.000 0.405 332 E N 0.602 121.035 120.200 0.390 0.000 2.442 332 E HA 0.143 4.491 4.350 -0.003 0.000 0.195 332 E C 0.371 176.974 176.600 0.005 0.000 1.030 332 E CA 0.445 57.082 56.400 0.395 0.000 0.869 332 E CB 0.997 30.932 29.700 0.391 0.000 0.857 332 E HN 0.284 nan 8.360 nan 0.000 0.505 333 I N 0.572 121.034 120.570 -0.179 0.000 2.509 333 I HA 0.347 4.515 4.170 -0.003 0.000 0.293 333 I C -0.001 175.698 176.117 -0.696 0.000 1.020 333 I CA -0.717 60.188 61.300 -0.660 0.000 1.088 333 I CB 2.117 39.815 38.000 -0.503 0.000 1.267 333 I HN -0.128 nan 8.210 nan 0.000 0.430 334 G N 6.614 114.807 108.800 -1.011 0.000 2.452 334 G HA2 0.787 4.745 3.960 -0.003 0.000 0.324 334 G HA3 0.787 4.745 3.960 -0.003 0.000 0.324 334 G C -1.022 173.680 174.900 -0.330 0.000 1.214 334 G CA -0.433 44.394 45.100 -0.455 0.000 0.947 334 G HN 0.458 nan 8.290 nan 0.000 0.478 335 I N 0.984 121.302 120.570 -0.420 0.000 2.447 335 I HA 0.372 4.541 4.170 -0.003 0.000 0.287 335 I C -1.085 174.784 176.117 -0.412 0.000 1.023 335 I CA -0.523 60.611 61.300 -0.276 0.000 1.083 335 I CB 1.916 39.834 38.000 -0.136 0.000 1.245 335 I HN 0.265 nan 8.210 nan 0.000 0.434 336 F N 3.596 123.590 119.950 0.074 0.000 2.436 336 F HA 0.635 5.160 4.527 -0.002 0.000 0.340 336 F C 0.487 176.312 175.800 0.042 0.000 1.113 336 F CA -0.576 57.448 58.000 0.040 0.000 1.022 336 F CB 2.152 41.176 39.000 0.040 0.000 1.128 336 F HN 0.286 nan 8.300 nan 0.000 0.466 337 T N 4.199 118.882 114.554 0.216 0.000 2.982 337 T HA 0.418 4.766 4.350 -0.003 0.000 0.321 337 T C -3.058 171.712 174.700 0.118 0.000 1.229 337 T CA -1.667 60.516 62.100 0.137 0.000 1.044 337 T CB 2.001 70.921 68.868 0.088 0.000 1.184 337 T HN 0.236 nan 8.240 nan 0.000 0.477 338 P HA 0.285 nan 4.420 nan 0.000 0.292 338 P C 0.674 178.012 177.300 0.063 0.000 1.287 338 P CA -0.365 62.782 63.100 0.078 0.000 0.800 338 P CB 1.208 32.947 31.700 0.064 0.000 0.945 339 T N -0.565 114.025 114.554 0.060 0.000 3.067 339 T HA 0.048 4.397 4.350 -0.003 0.000 0.257 339 T C 0.459 175.183 174.700 0.040 0.000 1.105 339 T CA 0.370 62.496 62.100 0.044 0.000 1.104 339 T CB -0.191 68.695 68.868 0.029 0.000 0.925 339 T HN 0.599 nan 8.240 nan 0.000 0.498 340 E N 0.108 120.337 120.200 0.047 0.000 2.393 340 E HA 0.516 4.864 4.350 -0.003 0.000 0.273 340 E C -1.740 174.884 176.600 0.041 0.000 0.918 340 E CA -1.064 55.361 56.400 0.043 0.000 0.773 340 E CB 1.124 30.854 29.700 0.049 0.000 1.275 340 E HN -0.128 nan 8.360 nan 0.000 0.451 341 D N 0.358 120.778 120.400 0.034 0.000 2.358 341 D HA 0.328 4.966 4.640 -0.003 0.000 0.244 341 D C 0.532 176.848 176.300 0.026 0.000 1.163 341 D CA 1.218 55.235 54.000 0.028 0.000 0.945 341 D CB 0.966 41.780 40.800 0.022 0.000 1.152 341 D HN 0.832 nan 8.370 nan 0.000 0.451 342 G N 0.546 109.358 108.800 0.020 0.000 2.350 342 G HA2 -0.223 3.736 3.960 -0.003 0.000 0.298 342 G HA3 -0.223 3.736 3.960 -0.003 0.000 0.298 342 G C -0.260 174.649 174.900 0.015 0.000 1.037 342 G CA 0.124 45.233 45.100 0.015 0.000 1.074 342 G HN 0.310 nan 8.290 nan 0.000 0.511 343 L N -0.337 120.897 121.223 0.019 0.000 2.334 343 L HA 0.487 4.826 4.340 -0.003 0.000 0.276 343 L C 0.953 177.827 176.870 0.007 0.000 1.014 343 L CA -0.752 54.098 54.840 0.016 0.000 0.815 343 L CB 1.577 43.656 42.059 0.033 0.000 1.268 343 L HN 0.283 nan 8.230 nan 0.000 0.428 344 D N 0.174 120.570 120.400 -0.005 0.000 2.350 344 D HA 0.041 4.679 4.640 -0.003 0.000 0.213 344 D C 0.449 176.741 176.300 -0.014 0.000 1.031 344 D CA 0.210 54.203 54.000 -0.011 0.000 0.861 344 D CB 0.416 41.205 40.800 -0.018 0.000 0.926 344 D HN 0.334 nan 8.370 nan 0.000 0.520 345 R N 0.111 120.606 120.500 -0.008 0.000 2.808 345 R HA 0.480 4.819 4.340 -0.003 0.000 0.272 345 R C -2.705 173.612 176.300 0.028 0.000 0.995 345 R CA -2.056 54.041 56.100 -0.005 0.000 0.917 345 R CB 2.125 32.440 30.300 0.025 0.000 1.217 345 R HN -0.071 nan 8.270 nan 0.000 0.471 346 P HA -0.015 nan 4.420 nan 0.000 0.271 346 P C -0.520 176.874 177.300 0.155 0.000 1.226 346 P CA 0.088 63.240 63.100 0.087 0.000 0.765 346 P CB 0.737 32.506 31.700 0.115 0.000 0.835 347 D N 2.652 123.150 120.400 0.163 0.000 2.347 347 D HA -0.012 4.626 4.640 -0.003 0.000 0.213 347 D C 0.437 176.844 176.300 0.178 0.000 0.985 347 D CA 0.463 54.592 54.000 0.215 0.000 0.879 347 D CB -0.074 40.855 40.800 0.215 0.000 0.919 347 D HN 0.230 nan 8.370 nan 0.000 0.526 348 L N -0.366 120.946 121.223 0.148 0.000 2.354 348 L HA 0.633 4.971 4.340 -0.003 0.000 0.264 348 L C -1.313 175.641 176.870 0.139 0.000 1.008 348 L CA -0.899 54.011 54.840 0.116 0.000 0.819 348 L CB 2.430 44.541 42.059 0.087 0.000 1.339 348 L HN 0.007 nan 8.230 nan 0.000 0.420 349 M N 4.175 123.813 119.600 0.063 0.000 2.484 349 M HA 0.649 5.127 4.480 -0.003 0.000 0.289 349 M C -2.099 174.160 176.300 -0.069 0.000 1.206 349 M CA -0.453 54.813 55.300 -0.057 0.000 0.892 349 M CB 2.297 34.842 32.600 -0.092 0.000 1.712 349 M HN 0.706 nan 8.290 nan 0.000 0.462 350 M N 2.476 121.989 119.600 -0.145 0.000 2.393 350 M HA 0.430 4.908 4.480 -0.003 0.000 0.299 350 M C -1.581 174.690 176.300 -0.049 0.000 1.103 350 M CA -0.641 54.654 55.300 -0.008 0.000 0.910 350 M CB 2.391 35.016 32.600 0.043 0.000 1.659 350 M HN 0.720 nan 8.290 nan 0.000 0.445 351 H N 0.339 119.504 119.070 0.159 0.000 2.483 351 H HA 0.459 5.013 4.556 -0.003 0.000 0.338 351 H C -1.610 173.953 175.328 0.392 0.000 1.152 351 H CA -0.061 56.170 56.048 0.306 0.000 1.264 351 H CB 1.370 31.348 29.762 0.360 0.000 1.510 351 H HN 0.548 nan 8.280 nan 0.000 0.530 352 Y N 0.995 121.523 120.300 0.379 0.000 2.328 352 Y HA 0.532 5.080 4.550 -0.003 0.000 0.336 352 Y C -0.451 175.544 175.900 0.158 0.000 0.960 352 Y CA -1.019 57.208 58.100 0.212 0.000 1.134 352 Y CB 0.976 39.433 38.460 -0.004 0.000 1.166 352 Y HN 0.720 nan 8.280 nan 0.000 0.464 353 G N 2.333 110.715 108.800 -0.696 0.000 2.415 353 G HA2 0.376 4.334 3.960 -0.003 0.000 0.327 353 G HA3 0.376 4.334 3.960 -0.003 0.000 0.327 353 G C -0.222 173.964 174.900 -1.190 0.000 1.182 353 G CA -0.621 43.580 45.100 -1.499 0.000 0.924 353 G HN 0.840 nan 8.290 nan 0.000 0.470 354 S N -0.317 114.824 115.700 -0.932 0.000 2.803 354 S HA 0.303 4.771 4.470 -0.003 0.000 0.228 354 S C 0.553 175.060 174.600 -0.155 0.000 0.953 354 S CA 0.170 58.119 58.200 -0.418 0.000 0.983 354 S CB -0.861 62.218 63.200 -0.200 0.000 0.784 354 S HN 1.291 nan 8.310 nan 0.000 0.498 355 V N -4.802 114.963 119.914 -0.250 0.000 3.188 355 V HA 0.708 4.827 4.120 -0.003 0.000 0.305 355 V C -3.288 172.767 176.094 -0.065 0.000 1.232 355 V CA -2.976 59.250 62.300 -0.123 0.000 1.043 355 V CB 1.052 32.768 31.823 -0.179 0.000 1.068 355 V HN -0.095 nan 8.190 nan 0.000 0.439 356 P HA 0.347 nan 4.420 nan 0.000 0.272 356 P C -1.136 176.305 177.300 0.236 0.000 1.254 356 P CA 0.188 63.338 63.100 0.083 0.000 0.795 356 P CB 0.154 31.883 31.700 0.049 0.000 1.022 357 F N 0.975 120.953 119.950 0.046 0.000 3.020 357 F HA 0.176 4.702 4.527 -0.003 0.000 0.389 357 F C -0.243 175.592 175.800 0.059 0.000 1.265 357 F CA -0.714 57.354 58.000 0.113 0.000 1.195 357 F CB -0.068 39.093 39.000 0.268 0.000 2.250 357 F HN 0.119 nan 8.300 nan 0.000 0.627 358 D N 1.606 121.912 120.400 -0.158 0.000 2.328 358 D HA -0.051 4.587 4.640 -0.003 0.000 0.226 358 D C 2.102 178.234 176.300 -0.280 0.000 1.066 358 D CA 0.221 54.124 54.000 -0.162 0.000 0.861 358 D CB -0.177 40.577 40.800 -0.076 0.000 0.912 358 D HN 0.563 nan 8.370 nan 0.000 0.521 359 M N 0.377 119.649 119.600 -0.547 0.000 2.116 359 M HA -0.238 4.241 4.480 -0.003 0.000 0.255 359 M C 0.477 176.600 176.300 -0.296 0.000 1.075 359 M CA 1.641 56.653 55.300 -0.480 0.000 1.087 359 M CB 0.055 32.212 32.600 -0.738 0.000 1.340 359 M HN 0.008 nan 8.290 nan 0.000 0.402 360 N N -1.554 116.987 118.700 -0.264 0.000 2.181 360 N HA 0.066 4.805 4.740 -0.003 0.000 0.207 360 N C 1.294 176.771 175.510 -0.055 0.000 1.182 360 N CA 1.144 54.104 53.050 -0.151 0.000 0.893 360 N CB 0.491 38.887 38.487 -0.152 0.000 1.032 360 N HN 0.525 nan 8.380 nan 0.000 0.513 361 T N -1.431 113.087 114.554 -0.059 0.000 3.039 361 T HA 0.067 4.415 4.350 -0.003 0.000 0.250 361 T C 1.919 176.707 174.700 0.147 0.000 1.052 361 T CA 0.034 62.173 62.100 0.065 0.000 1.125 361 T CB -0.166 68.679 68.868 -0.037 0.000 0.908 361 T HN -0.079 nan 8.240 nan 0.000 0.473 362 L N 2.832 124.058 121.223 0.004 0.000 2.043 362 L HA -0.022 4.316 4.340 -0.003 0.000 0.212 362 L C 2.656 179.477 176.870 -0.083 0.000 1.075 362 L CA 1.997 56.822 54.840 -0.025 0.000 0.752 362 L CB -0.642 41.370 42.059 -0.078 0.000 0.891 362 L HN 0.455 nan 8.230 nan 0.000 0.432 363 R N -2.249 118.126 120.500 -0.208 0.000 2.316 363 R HA -0.096 4.242 4.340 -0.003 0.000 0.202 363 R C 0.798 176.790 176.300 -0.513 0.000 1.029 363 R CA 1.477 57.327 56.100 -0.417 0.000 1.018 363 R CB -0.682 29.220 30.300 -0.664 0.000 0.888 363 R HN 0.506 nan 8.270 nan 0.000 0.471 364 H N -0.721 118.332 119.070 -0.028 0.000 2.672 364 H HA 0.290 4.845 4.556 -0.003 0.000 0.277 364 H C 0.753 176.035 175.328 -0.077 0.000 1.074 364 H CA 0.303 56.358 56.048 0.011 0.000 1.173 364 H CB 1.543 31.403 29.762 0.164 0.000 1.558 364 H HN 0.488 nan 8.280 nan 0.000 0.539 365 G N 0.031 108.837 108.800 0.009 0.000 2.157 365 G HA2 -0.329 3.630 3.960 -0.003 0.000 0.248 365 G HA3 -0.329 3.630 3.960 -0.003 0.000 0.248 365 G C -0.277 174.561 174.900 -0.103 0.000 0.979 365 G CA -0.291 44.763 45.100 -0.076 0.000 0.650 365 G HN 0.334 nan 8.290 nan 0.000 0.529 366 Y N 1.627 121.941 120.300 0.023 0.000 2.457 366 Y HA 0.419 4.968 4.550 -0.003 0.000 0.341 366 Y C -0.840 175.054 175.900 -0.010 0.000 1.240 366 Y CA -0.956 57.152 58.100 0.013 0.000 1.437 366 Y CB 0.315 38.799 38.460 0.040 0.000 1.328 366 Y HN 0.101 nan 8.280 nan 0.000 0.588 367 P HA 0.282 nan 4.420 nan 0.000 0.278 367 P C -0.705 176.627 177.300 0.053 0.000 1.266 367 P CA -0.512 62.623 63.100 0.058 0.000 0.807 367 P CB 1.423 33.143 31.700 0.033 0.000 1.094 368 T N -3.371 111.199 114.554 0.028 0.000 2.858 368 T HA 0.747 5.095 4.350 -0.003 0.000 0.285 368 T C -0.544 174.166 174.700 0.017 0.000 1.052 368 T CA -0.669 61.442 62.100 0.018 0.000 1.009 368 T CB 1.498 70.370 68.868 0.006 0.000 1.241 368 T HN 0.561 nan 8.240 nan 0.000 0.542 369 T N -1.258 113.306 114.554 0.017 0.000 2.802 369 T HA 0.408 4.757 4.350 -0.003 0.000 0.311 369 T C -0.359 174.355 174.700 0.023 0.000 1.405 369 T CA -0.477 61.639 62.100 0.026 0.000 1.016 369 T CB 2.034 70.927 68.868 0.043 0.000 1.352 369 T HN 0.734 nan 8.240 nan 0.000 0.498 370 E N 0.747 120.964 120.200 0.029 0.000 2.340 370 E HA 0.195 4.543 4.350 -0.003 0.000 0.194 370 E C -0.051 176.575 176.600 0.043 0.000 0.996 370 E CA 0.115 56.529 56.400 0.022 0.000 0.869 370 E CB 0.326 30.037 29.700 0.018 0.000 0.835 370 E HN 0.372 nan 8.360 nan 0.000 0.493 371 N N 0.196 118.941 118.700 0.074 0.000 2.617 371 N HA 0.401 5.140 4.740 -0.003 0.000 0.263 371 N C -0.942 174.672 175.510 0.174 0.000 1.074 371 N CA -0.193 52.929 53.050 0.120 0.000 0.841 371 N CB 1.304 39.868 38.487 0.128 0.000 1.221 371 N HN 0.116 nan 8.380 nan 0.000 0.529 372 G N 0.911 109.830 108.800 0.198 0.000 2.561 372 G HA2 0.563 4.522 3.960 -0.003 0.000 0.310 372 G HA3 0.563 4.522 3.960 -0.003 0.000 0.310 372 G C -1.710 173.398 174.900 0.347 0.000 1.292 372 G CA -0.655 44.610 45.100 0.275 0.000 0.811 372 G HN 0.408 nan 8.290 nan 0.000 0.482 373 F N -1.861 118.173 119.950 0.139 0.000 2.789 373 F HA 0.892 5.417 4.527 -0.003 0.000 0.319 373 F C -0.646 175.243 175.800 0.148 0.000 1.168 373 F CA -1.289 56.755 58.000 0.074 0.000 0.934 373 F CB 1.691 40.776 39.000 0.140 0.000 1.375 373 F HN 0.541 nan 8.300 nan 0.000 0.480 374 S N 1.186 116.992 115.700 0.177 0.000 2.572 374 S HA 0.695 5.163 4.470 -0.003 0.000 0.274 374 S C -1.412 173.385 174.600 0.327 0.000 1.150 374 S CA -0.641 57.657 58.200 0.164 0.000 0.944 374 S CB 1.670 64.938 63.200 0.113 0.000 1.071 374 S HN 0.662 nan 8.310 nan 0.000 0.479 375 L N 2.790 124.227 121.223 0.356 0.000 2.313 375 L HA 0.605 4.943 4.340 -0.003 0.000 0.283 375 L C 0.034 177.084 176.870 0.301 0.000 1.013 375 L CA -0.575 54.484 54.840 0.365 0.000 0.816 375 L CB 1.833 44.102 42.059 0.349 0.000 1.236 375 L HN 0.773 nan 8.230 nan 0.000 0.419 376 T N 0.220 114.962 114.554 0.314 0.000 3.053 376 T HA 0.395 4.743 4.350 -0.003 0.000 0.363 376 T C -2.522 172.294 174.700 0.193 0.000 1.239 376 T CA -2.160 60.080 62.100 0.232 0.000 1.071 376 T CB 0.704 69.672 68.868 0.166 0.000 1.089 376 T HN 0.215 nan 8.240 nan 0.000 0.527 377 P HA 0.160 nan 4.420 nan 0.000 0.267 377 P C -0.760 176.605 177.300 0.108 0.000 1.205 377 P CA -0.134 63.037 63.100 0.119 0.000 0.765 377 P CB 0.474 32.241 31.700 0.111 0.000 0.828 378 N N 1.414 120.165 118.700 0.085 0.000 2.240 378 N HA 0.328 5.067 4.740 -0.003 0.000 0.302 378 N C -1.203 174.342 175.510 0.060 0.000 1.106 378 N CA -1.090 52.001 53.050 0.067 0.000 0.778 378 N CB 1.291 39.802 38.487 0.040 0.000 1.431 378 N HN -0.028 nan 8.380 nan 0.000 0.479 379 V N 1.761 121.732 119.914 0.095 0.000 2.405 379 V HA 0.151 4.269 4.120 -0.003 0.000 0.264 379 V C 1.578 177.751 176.094 0.131 0.000 1.048 379 V CA 0.024 62.406 62.300 0.137 0.000 0.966 379 V CB 0.026 31.965 31.823 0.194 0.000 1.015 379 V HN 1.026 nan 8.190 nan 0.000 0.477 380 T N 0.752 115.354 114.554 0.080 0.000 2.985 380 T HA -0.043 4.306 4.350 -0.003 0.000 0.266 380 T C 0.620 175.254 174.700 -0.109 0.000 1.076 380 T CA 0.838 62.865 62.100 -0.121 0.000 1.135 380 T CB -0.212 68.609 68.868 -0.078 0.000 0.890 380 T HN 0.710 nan 8.240 nan 0.000 0.480 381 H N 0.914 120.120 119.070 0.227 0.000 2.488 381 H HA 0.688 5.242 4.556 -0.003 0.000 0.237 381 H C -0.197 175.233 175.328 0.170 0.000 1.395 381 H CA -0.469 55.701 56.048 0.203 0.000 1.491 381 H CB 0.446 30.299 29.762 0.152 0.000 1.567 381 H HN 0.493 nan 8.280 nan 0.000 0.508 382 A N 1.163 124.132 122.820 0.248 0.000 2.371 382 A HA 0.325 4.643 4.320 -0.003 0.000 0.257 382 A C 0.999 178.652 177.584 0.114 0.000 1.089 382 A CA -0.468 51.694 52.037 0.209 0.000 0.794 382 A CB 0.619 19.720 19.000 0.168 0.000 1.029 382 A HN 0.822 nan 8.150 nan 0.000 0.488 383 R N 0.691 121.237 120.500 0.077 0.000 2.308 383 R HA 0.124 4.463 4.340 -0.003 0.000 0.202 383 R C 0.199 176.522 176.300 0.038 0.000 0.898 383 R CA 0.134 56.246 56.100 0.021 0.000 1.046 383 R CB 0.272 30.546 30.300 -0.044 0.000 1.026 383 R HN 0.645 nan 8.270 nan 0.000 0.512 384 S N 1.410 117.139 115.700 0.049 0.000 2.560 384 S HA 0.180 4.649 4.470 -0.003 0.000 0.284 384 S C 0.045 174.633 174.600 -0.020 0.000 1.327 384 S CA 0.109 58.316 58.200 0.012 0.000 1.055 384 S CB 0.608 63.802 63.200 -0.009 0.000 0.868 384 S HN 0.095 nan 8.310 nan 0.000 0.506 385 R N 1.179 121.652 120.500 -0.044 0.000 2.628 385 R HA 0.676 5.014 4.340 -0.003 0.000 0.288 385 R C 0.313 176.543 176.300 -0.118 0.000 0.980 385 R CA -0.553 55.507 56.100 -0.067 0.000 0.891 385 R CB 1.613 31.892 30.300 -0.034 0.000 1.188 385 R HN 0.780 nan 8.270 nan 0.000 0.450 386 G N -0.194 108.510 108.800 -0.160 0.000 3.211 386 G HA2 0.642 4.600 3.960 -0.003 0.000 0.262 386 G HA3 0.642 4.600 3.960 -0.003 0.000 0.262 386 G C -0.967 173.809 174.900 -0.208 0.000 1.352 386 G CA -0.353 44.630 45.100 -0.195 0.000 1.004 386 G HN 0.515 nan 8.290 nan 0.000 0.559 387 T N -3.086 111.341 114.554 -0.212 0.000 2.906 387 T HA 0.644 4.993 4.350 -0.003 0.000 0.295 387 T C -1.193 173.376 174.700 -0.219 0.000 1.061 387 T CA -0.653 61.313 62.100 -0.222 0.000 1.000 387 T CB 1.826 70.563 68.868 -0.218 0.000 1.103 387 T HN 0.584 nan 8.240 nan 0.000 0.486 388 V N 2.247 122.025 119.914 -0.226 0.000 2.409 388 V HA 0.634 4.752 4.120 -0.003 0.000 0.291 388 V C 0.077 176.044 176.094 -0.212 0.000 1.020 388 V CA -0.766 61.403 62.300 -0.219 0.000 0.848 388 V CB 1.185 32.868 31.823 -0.234 0.000 0.990 388 V HN 0.857 nan 8.190 nan 0.000 0.430 389 R N 3.255 123.643 120.500 -0.187 0.000 2.854 389 R HA 0.642 4.981 4.340 -0.003 0.000 0.271 389 R C -0.994 175.295 176.300 -0.018 0.000 0.994 389 R CA -1.002 54.989 56.100 -0.181 0.000 0.945 389 R CB 2.113 32.224 30.300 -0.316 0.000 1.194 389 R HN 0.549 nan 8.270 nan 0.000 0.476 390 L N 2.687 124.043 121.223 0.221 0.000 2.455 390 L HA 0.096 4.434 4.340 -0.003 0.000 0.272 390 L C 1.750 178.526 176.870 -0.156 0.000 1.174 390 L CA 0.431 55.258 54.840 -0.021 0.000 0.869 390 L CB 0.636 42.578 42.059 -0.196 0.000 1.130 390 L HN 0.663 nan 8.230 nan 0.000 0.474 391 R N 2.142 122.543 120.500 -0.165 0.000 2.093 391 R HA -0.038 4.300 4.340 -0.003 0.000 0.224 391 R C 0.581 176.742 176.300 -0.231 0.000 1.101 391 R CA 1.118 57.145 56.100 -0.121 0.000 0.979 391 R CB 0.376 30.650 30.300 -0.044 0.000 0.877 391 R HN 0.841 nan 8.270 nan 0.000 0.441 392 S N -1.792 113.697 115.700 -0.352 0.000 2.703 392 S HA 0.154 4.623 4.470 -0.003 0.000 0.273 392 S C 0.053 174.507 174.600 -0.243 0.000 1.178 392 S CA -0.828 57.215 58.200 -0.262 0.000 0.838 392 S CB 0.780 63.948 63.200 -0.053 0.000 1.178 392 S HN 0.352 nan 8.310 nan 0.000 0.494 393 R N 0.011 120.470 120.500 -0.069 0.000 2.313 393 R HA 0.178 4.517 4.340 -0.003 0.000 0.199 393 R C -0.431 175.879 176.300 0.017 0.000 0.958 393 R CA 0.331 56.418 56.100 -0.022 0.000 1.047 393 R CB -0.430 29.889 30.300 0.031 0.000 0.955 393 R HN 0.537 nan 8.270 nan 0.000 0.481 394 D N 1.430 121.826 120.400 -0.007 0.000 2.359 394 D HA -0.019 4.619 4.640 -0.003 0.000 0.230 394 D C 0.925 177.197 176.300 -0.046 0.000 1.118 394 D CA -0.980 53.014 54.000 -0.011 0.000 0.844 394 D CB 0.586 41.350 40.800 -0.059 0.000 1.059 394 D HN 0.217 nan 8.370 nan 0.000 0.493 395 F N 3.712 123.641 119.950 -0.034 0.000 2.236 395 F HA -0.165 4.361 4.527 -0.003 0.000 0.302 395 F C 1.571 177.353 175.800 -0.030 0.000 1.073 395 F CA 0.855 58.831 58.000 -0.040 0.000 1.336 395 F CB -0.331 38.648 39.000 -0.036 0.000 1.040 395 F HN 0.225 nan 8.300 nan 0.000 0.507 396 R N 0.483 120.515 120.500 -0.780 0.000 2.237 396 R HA -0.023 4.316 4.340 -0.003 0.000 0.219 396 R C -0.234 175.960 176.300 -0.177 0.000 1.080 396 R CA 0.735 56.529 56.100 -0.509 0.000 0.995 396 R CB -0.607 29.316 30.300 -0.629 0.000 0.875 396 R HN 0.286 nan 8.270 nan 0.000 0.462 397 D N 1.664 121.988 120.400 -0.127 0.000 2.308 397 D HA 0.090 4.729 4.640 -0.003 0.000 0.251 397 D C -0.234 176.064 176.300 -0.003 0.000 1.127 397 D CA 0.047 54.019 54.000 -0.046 0.000 0.876 397 D CB 0.970 41.740 40.800 -0.051 0.000 1.176 397 D HN -0.072 nan 8.370 nan 0.000 0.446 398 K N 3.294 123.725 120.400 0.051 0.000 2.295 398 K HA 0.211 4.529 4.320 -0.003 0.000 0.270 398 K C -2.007 174.612 176.600 0.032 0.000 1.011 398 K CA -1.180 55.181 56.287 0.123 0.000 0.953 398 K CB 0.381 33.025 32.500 0.239 0.000 0.956 398 K HN 0.282 nan 8.250 nan 0.000 0.477 399 P HA 0.004 nan 4.420 nan 0.000 0.274 399 P C -0.670 176.584 177.300 -0.077 0.000 1.260 399 P CA -0.040 62.993 63.100 -0.112 0.000 0.793 399 P CB 0.539 32.101 31.700 -0.229 0.000 1.048 400 M N 0.579 120.131 119.600 -0.080 0.000 2.063 400 M HA 0.258 4.737 4.480 -0.003 0.000 0.348 400 M C -0.638 175.602 176.300 -0.099 0.000 1.180 400 M CA -0.624 54.642 55.300 -0.058 0.000 1.059 400 M CB 0.922 33.501 32.600 -0.034 0.000 1.544 400 M HN -0.022 nan 8.290 nan 0.000 0.447 401 V N 2.585 122.450 119.914 -0.081 0.000 2.347 401 V HA 0.310 4.429 4.120 -0.003 0.000 0.280 401 V C -0.673 175.368 176.094 -0.087 0.000 1.021 401 V CA -0.379 61.851 62.300 -0.116 0.000 0.847 401 V CB 1.429 33.188 31.823 -0.107 0.000 0.990 401 V HN 0.708 nan 8.190 nan 0.000 0.444 402 D N 6.357 126.672 120.400 -0.141 0.000 2.358 402 D HA 0.448 5.087 4.640 -0.003 0.000 0.253 402 D C -2.251 173.906 176.300 -0.239 0.000 1.288 402 D CA -1.687 52.226 54.000 -0.146 0.000 0.950 402 D CB 2.609 43.343 40.800 -0.111 0.000 1.197 402 D HN 0.186 nan 8.370 nan 0.000 0.550 403 P HA 0.076 nan 4.420 nan 0.000 0.240 403 P C -0.455 176.555 177.300 -0.485 0.000 1.190 403 P CA 0.053 62.811 63.100 -0.570 0.000 0.781 403 P CB 0.205 31.182 31.700 -1.204 0.000 0.931 404 R N -1.975 118.322 120.500 -0.339 0.000 3.264 404 R HA -0.204 4.135 4.340 -0.003 0.000 0.251 404 R C -0.680 175.539 176.300 -0.136 0.000 0.971 404 R CA 0.260 56.263 56.100 -0.161 0.000 0.658 404 R CB -3.201 27.036 30.300 -0.105 0.000 1.095 404 R HN 0.345 nan 8.270 nan 0.000 0.443 405 Y N 0.744 120.992 120.300 -0.085 0.000 2.597 405 Y HA -0.055 4.494 4.550 -0.002 0.000 0.336 405 Y C 1.441 177.216 175.900 -0.209 0.000 1.216 405 Y CA 0.270 58.182 58.100 -0.313 0.000 1.463 405 Y CB 0.212 38.414 38.460 -0.430 0.000 1.303 405 Y HN 0.217 nan 8.280 nan 0.000 0.576 406 F N 0.190 120.221 119.950 0.136 0.000 3.074 406 F HA -0.274 4.252 4.527 -0.003 0.000 0.287 406 F C 1.038 176.874 175.800 0.060 0.000 0.932 406 F CA 1.044 59.082 58.000 0.064 0.000 0.995 406 F CB -2.298 36.703 39.000 0.002 0.000 0.966 406 F HN 0.598 nan 8.300 nan 0.000 0.721 407 T N -3.799 110.843 114.554 0.146 0.000 3.084 407 T HA 0.091 4.439 4.350 -0.003 0.000 0.270 407 T C 0.341 175.092 174.700 0.085 0.000 1.008 407 T CA 0.090 62.252 62.100 0.104 0.000 0.900 407 T CB -0.028 68.873 68.868 0.055 0.000 1.084 407 T HN 0.495 nan 8.240 nan 0.000 0.538 408 D N 3.144 123.606 120.400 0.104 0.000 2.472 408 D HA -0.003 4.635 4.640 -0.003 0.000 0.248 408 D C -1.345 175.013 176.300 0.095 0.000 1.174 408 D CA -0.971 53.087 54.000 0.096 0.000 0.883 408 D CB 1.430 42.302 40.800 0.120 0.000 1.149 408 D HN 0.136 nan 8.370 nan 0.000 0.488 409 P HA -0.211 nan 4.420 nan 0.000 0.219 409 P C 1.009 178.350 177.300 0.068 0.000 1.146 409 P CA 1.260 64.397 63.100 0.061 0.000 0.808 409 P CB 0.027 31.754 31.700 0.045 0.000 0.779 410 E N -0.496 119.753 120.200 0.082 0.000 2.476 410 E HA 0.157 4.506 4.350 -0.003 0.000 0.191 410 E C 1.097 177.765 176.600 0.113 0.000 1.064 410 E CA 0.312 56.766 56.400 0.089 0.000 0.866 410 E CB -1.033 28.720 29.700 0.088 0.000 0.952 410 E HN 0.108 nan 8.360 nan 0.000 0.492 411 G N 2.414 111.288 108.800 0.123 0.000 2.296 411 G HA2 -0.394 3.564 3.960 -0.003 0.000 0.282 411 G HA3 -0.394 3.564 3.960 -0.003 0.000 0.282 411 G C 0.707 175.709 174.900 0.170 0.000 1.014 411 G CA 0.902 46.084 45.100 0.136 0.000 0.812 411 G HN 0.647 nan 8.290 nan 0.000 0.508 412 H N 0.607 119.737 119.070 0.100 0.000 2.289 412 H HA -0.130 4.424 4.556 -0.002 0.000 0.296 412 H C 2.099 177.512 175.328 0.142 0.000 1.091 412 H CA 2.258 58.371 56.048 0.107 0.000 1.274 412 H CB 0.078 29.903 29.762 0.104 0.000 1.364 412 H HN 0.478 nan 8.280 nan 0.000 0.490 413 D N 0.460 121.063 120.400 0.339 0.000 2.104 413 D HA -0.161 4.477 4.640 -0.003 0.000 0.194 413 D C 2.367 178.868 176.300 0.334 0.000 0.994 413 D CA 1.120 55.332 54.000 0.354 0.000 0.830 413 D CB -0.507 40.510 40.800 0.363 0.000 0.959 413 D HN 0.329 nan 8.370 nan 0.000 0.452 414 M N 0.575 120.339 119.600 0.273 0.000 2.159 414 M HA -0.102 4.377 4.480 -0.003 0.000 0.263 414 M C 1.942 178.227 176.300 -0.025 0.000 1.063 414 M CA 1.364 56.663 55.300 -0.001 0.000 1.110 414 M CB -0.163 32.397 32.600 -0.067 0.000 1.374 414 M HN -0.155 nan 8.290 nan 0.000 0.411 415 R N -0.745 119.749 120.500 -0.010 0.000 2.066 415 R HA -0.099 4.239 4.340 -0.003 0.000 0.232 415 R C 1.878 178.147 176.300 -0.052 0.000 1.131 415 R CA 1.871 57.950 56.100 -0.035 0.000 0.955 415 R CB -0.496 29.782 30.300 -0.036 0.000 0.851 415 R HN 0.344 nan 8.270 nan 0.000 0.432 416 V N 1.287 121.140 119.914 -0.102 0.000 2.343 416 V HA -0.267 3.851 4.120 -0.003 0.000 0.247 416 V C 2.413 178.510 176.094 0.005 0.000 1.051 416 V CA 1.828 64.081 62.300 -0.079 0.000 1.036 416 V CB -0.437 31.292 31.823 -0.157 0.000 0.654 416 V HN 0.356 nan 8.190 nan 0.000 0.451 417 M N -0.117 119.506 119.600 0.038 0.000 2.099 417 M HA -0.084 4.395 4.480 -0.003 0.000 0.262 417 M C 2.006 178.321 176.300 0.026 0.000 1.067 417 M CA 1.718 57.054 55.300 0.060 0.000 1.124 417 M CB -0.553 32.095 32.600 0.081 0.000 1.353 417 M HN 0.110 nan 8.290 nan 0.000 0.410 418 V N 0.649 120.557 119.914 -0.010 0.000 2.252 418 V HA -0.316 3.802 4.120 -0.003 0.000 0.249 418 V C 2.535 178.639 176.094 0.015 0.000 1.056 418 V CA 2.106 64.404 62.300 -0.004 0.000 1.022 418 V CB -1.709 30.101 31.823 -0.022 0.000 0.641 418 V HN 0.646 nan 8.190 nan 0.000 0.445 419 A N 0.158 122.984 122.820 0.012 0.000 2.024 419 A HA -0.095 4.224 4.320 -0.003 0.000 0.220 419 A C 2.332 179.938 177.584 0.037 0.000 1.164 419 A CA 1.850 53.899 52.037 0.020 0.000 0.643 419 A CB -1.013 17.994 19.000 0.012 0.000 0.806 419 A HN 0.579 nan 8.150 nan 0.000 0.451 420 G N -0.044 108.784 108.800 0.046 0.000 2.403 420 G HA2 -0.099 3.859 3.960 -0.003 0.000 0.216 420 G HA3 -0.099 3.859 3.960 -0.003 0.000 0.216 420 G C 1.487 176.434 174.900 0.078 0.000 1.154 420 G CA 0.994 46.133 45.100 0.065 0.000 0.784 420 G HN 0.492 nan 8.290 nan 0.000 0.538 421 I N 0.195 120.809 120.570 0.073 0.000 2.202 421 I HA -0.126 4.043 4.170 -0.003 0.000 0.242 421 I C 3.021 179.178 176.117 0.067 0.000 1.091 421 I CA 0.820 62.164 61.300 0.074 0.000 1.368 421 I CB -0.262 37.772 38.000 0.057 0.000 1.058 421 I HN 0.067 nan 8.210 nan 0.000 0.410 422 R N 0.898 121.428 120.500 0.049 0.000 2.083 422 R HA -0.220 4.119 4.340 -0.003 0.000 0.237 422 R C 2.316 178.651 176.300 0.059 0.000 1.137 422 R CA 1.403 57.532 56.100 0.047 0.000 0.951 422 R CB -0.476 29.843 30.300 0.033 0.000 0.851 422 R HN 0.123 nan 8.270 nan 0.000 0.434 423 K N 0.940 121.375 120.400 0.058 0.000 2.147 423 K HA -0.067 4.252 4.320 -0.003 0.000 0.205 423 K C 1.829 178.473 176.600 0.074 0.000 1.049 423 K CA 1.493 57.815 56.287 0.058 0.000 0.936 423 K CB -0.243 32.289 32.500 0.052 0.000 0.722 423 K HN 0.197 nan 8.250 nan 0.000 0.446 424 A N 0.453 123.335 122.820 0.104 0.000 1.872 424 A HA -0.086 4.233 4.320 -0.003 0.000 0.214 424 A C 2.134 179.829 177.584 0.185 0.000 1.187 424 A CA 1.391 53.519 52.037 0.151 0.000 0.614 424 A CB -0.438 18.675 19.000 0.188 0.000 0.826 424 A HN 0.296 nan 8.150 nan 0.000 0.442 425 R N -0.499 120.120 120.500 0.198 0.000 2.091 425 R HA -0.183 4.156 4.340 -0.003 0.000 0.238 425 R C 2.352 178.720 176.300 0.113 0.000 1.136 425 R CA 1.680 57.913 56.100 0.222 0.000 0.959 425 R CB -0.315 30.084 30.300 0.164 0.000 0.856 425 R HN 0.794 nan 8.270 nan 0.000 0.437 426 E N 0.924 121.171 120.200 0.079 0.000 2.038 426 E HA -0.218 4.131 4.350 -0.003 0.000 0.195 426 E C 1.964 178.578 176.600 0.024 0.000 1.000 426 E CA 1.451 57.879 56.400 0.045 0.000 0.803 426 E CB -0.069 29.654 29.700 0.038 0.000 0.750 426 E HN 0.292 nan 8.360 nan 0.000 0.448 427 I N 1.238 121.823 120.570 0.024 0.000 2.127 427 I HA -0.288 3.881 4.170 -0.003 0.000 0.241 427 I C 2.725 178.820 176.117 -0.038 0.000 1.075 427 I CA 1.228 62.524 61.300 -0.007 0.000 1.334 427 I CB -0.582 37.415 38.000 -0.006 0.000 1.040 427 I HN 0.165 nan 8.210 nan 0.000 0.405 428 A N 0.711 123.502 122.820 -0.049 0.000 2.032 428 A HA -0.152 4.166 4.320 -0.003 0.000 0.221 428 A C 2.416 179.917 177.584 -0.137 0.000 1.165 428 A CA 1.972 53.907 52.037 -0.171 0.000 0.645 428 A CB -0.699 17.974 19.000 -0.545 0.000 0.807 428 A HN 0.505 nan 8.150 nan 0.000 0.453 429 A N -1.399 121.383 122.820 -0.063 0.000 2.123 429 A HA 0.133 4.451 4.320 -0.003 0.000 0.214 429 A C 1.014 178.589 177.584 -0.016 0.000 1.152 429 A CA 0.029 52.052 52.037 -0.024 0.000 0.728 429 A CB -0.142 18.866 19.000 0.014 0.000 0.814 429 A HN 0.468 nan 8.150 nan 0.000 0.464 430 Q N -0.059 119.728 119.800 -0.022 0.000 2.333 430 Q HA 0.023 4.361 4.340 -0.003 0.000 0.299 430 Q C -1.627 174.363 176.000 -0.017 0.000 1.067 430 Q CA -1.375 54.416 55.803 -0.019 0.000 0.943 430 Q CB -0.106 28.616 28.738 -0.027 0.000 1.233 430 Q HN 0.131 nan 8.270 nan 0.000 0.401 431 P HA -0.198 nan 4.420 nan 0.000 0.218 431 P C 0.517 177.815 177.300 -0.004 0.000 1.146 431 P CA 1.988 65.085 63.100 -0.006 0.000 0.820 431 P CB 0.230 31.927 31.700 -0.006 0.000 0.778 432 A N -2.266 120.548 122.820 -0.010 0.000 2.208 432 A HA 0.037 4.355 4.320 -0.003 0.000 0.209 432 A C 1.738 179.332 177.584 0.018 0.000 1.161 432 A CA 0.900 52.935 52.037 -0.003 0.000 0.782 432 A CB -0.710 18.276 19.000 -0.023 0.000 0.816 432 A HN 0.053 nan 8.150 nan 0.000 0.477 433 M N -0.852 118.753 119.600 0.009 0.000 2.404 433 M HA 0.259 4.738 4.480 -0.003 0.000 0.271 433 M C 1.829 178.178 176.300 0.082 0.000 1.128 433 M CA 0.487 55.812 55.300 0.042 0.000 0.982 433 M CB -0.456 32.116 32.600 -0.047 0.000 1.445 433 M HN 0.453 nan 8.290 nan 0.000 0.495 434 A N 1.160 124.005 122.820 0.042 0.000 1.969 434 A HA -0.166 4.153 4.320 -0.003 0.000 0.218 434 A C 1.947 179.524 177.584 -0.011 0.000 1.169 434 A CA 1.807 53.854 52.037 0.017 0.000 0.635 434 A CB -0.534 18.466 19.000 -0.000 0.000 0.810 434 A HN 0.669 nan 8.150 nan 0.000 0.445 435 E N -2.095 118.072 120.200 -0.054 0.000 2.418 435 E HA -0.178 4.170 4.350 -0.003 0.000 0.197 435 E C 1.390 177.774 176.600 -0.359 0.000 1.026 435 E CA 0.911 57.167 56.400 -0.240 0.000 0.862 435 E CB -0.236 29.260 29.700 -0.340 0.000 0.799 435 E HN 0.836 nan 8.360 nan 0.000 0.518 436 W N 0.775 122.053 121.300 -0.037 0.000 2.893 436 W HA 0.212 4.871 4.660 -0.000 0.000 0.253 436 W C 0.498 177.069 176.519 0.087 0.000 1.171 436 W CA -0.108 57.218 57.345 -0.032 0.000 1.480 436 W CB 0.360 29.710 29.460 -0.183 0.000 0.963 436 W HN -0.237 nan 8.180 nan 0.000 0.637 437 T N 1.611 116.326 114.554 0.270 0.000 2.776 437 T HA 0.399 4.747 4.350 -0.003 0.000 0.292 437 T C 0.683 175.507 174.700 0.206 0.000 0.921 437 T CA 0.082 62.331 62.100 0.247 0.000 1.038 437 T CB 0.152 69.016 68.868 -0.008 0.000 0.910 437 T HN 0.105 nan 8.240 nan 0.000 0.536 438 G N 2.193 111.173 108.800 0.300 0.000 2.509 438 G HA2 0.337 4.296 3.960 -0.003 0.000 0.269 438 G HA3 0.337 4.296 3.960 -0.003 0.000 0.269 438 G C 0.053 175.118 174.900 0.275 0.000 1.416 438 G CA -0.878 44.361 45.100 0.232 0.000 1.052 438 G HN 0.654 nan 8.290 nan 0.000 0.542 439 R N 0.440 121.056 120.500 0.192 0.000 2.500 439 R HA -0.053 4.285 4.340 -0.003 0.000 0.281 439 R C 0.156 176.547 176.300 0.151 0.000 0.953 439 R CA 0.378 56.568 56.100 0.151 0.000 1.108 439 R CB 0.128 30.476 30.300 0.081 0.000 0.901 439 R HN 0.593 nan 8.270 nan 0.000 0.410 440 E N 4.613 124.853 120.200 0.065 0.000 2.104 440 E HA -0.024 4.325 4.350 -0.003 0.000 0.278 440 E C 0.714 177.172 176.600 -0.237 0.000 1.127 440 E CA -0.199 56.021 56.400 -0.299 0.000 0.897 440 E CB 0.544 30.059 29.700 -0.309 0.000 1.043 440 E HN 0.583 nan 8.360 nan 0.000 0.410 441 L N 3.071 124.133 121.223 -0.269 0.000 2.044 441 L HA -0.036 4.302 4.340 -0.003 0.000 0.205 441 L C 1.073 177.895 176.870 -0.081 0.000 1.075 441 L CA 0.607 55.377 54.840 -0.116 0.000 0.747 441 L CB -0.201 41.810 42.059 -0.079 0.000 0.903 441 L HN 0.438 nan 8.230 nan 0.000 0.435 442 S N -2.102 113.456 115.700 -0.236 0.000 2.547 442 S HA 0.410 4.879 4.470 -0.003 0.000 0.281 442 S C -2.330 171.969 174.600 -0.501 0.000 1.118 442 S CA -1.243 56.749 58.200 -0.346 0.000 0.947 442 S CB 2.058 65.019 63.200 -0.397 0.000 1.053 442 S HN -0.167 nan 8.310 nan 0.000 0.482 443 P HA 0.242 nan 4.420 nan 0.000 0.241 443 P C 0.817 177.954 177.300 -0.272 0.000 1.191 443 P CA 1.044 63.583 63.100 -0.935 0.000 0.771 443 P CB -0.477 30.326 31.700 -1.496 0.000 0.929 444 G N 0.011 108.670 108.800 -0.236 0.000 2.712 444 G HA2 -0.126 3.832 3.960 -0.003 0.000 0.686 444 G HA3 -0.126 3.832 3.960 -0.003 0.000 0.686 444 G C 0.510 175.350 174.900 -0.100 0.000 1.181 444 G CA -0.467 44.569 45.100 -0.107 0.000 0.762 444 G HN 0.068 nan 8.290 nan 0.000 0.641 445 V N -1.495 118.388 119.914 -0.053 0.000 2.594 445 V HA -0.061 4.057 4.120 -0.003 0.000 0.253 445 V C 2.230 178.309 176.094 -0.024 0.000 1.069 445 V CA 2.548 64.832 62.300 -0.026 0.000 1.082 445 V CB -0.406 31.419 31.823 0.003 0.000 0.680 445 V HN 0.735 nan 8.190 nan 0.000 0.469 446 E N 2.000 122.186 120.200 -0.025 0.000 2.051 446 E HA -0.020 4.328 4.350 -0.003 0.000 0.192 446 E C 1.494 178.080 176.600 -0.024 0.000 0.991 446 E CA 1.371 57.760 56.400 -0.019 0.000 0.799 446 E CB -0.538 29.152 29.700 -0.016 0.000 0.748 446 E HN 0.771 nan 8.360 nan 0.000 0.449 447 A N 1.408 124.202 122.820 -0.042 0.000 2.476 447 A HA 0.096 4.414 4.320 -0.003 0.000 0.275 447 A C 0.827 178.379 177.584 -0.053 0.000 1.133 447 A CA 0.370 52.375 52.037 -0.053 0.000 0.797 447 A CB 0.325 19.260 19.000 -0.107 0.000 1.081 447 A HN 0.102 nan 8.150 nan 0.000 0.510 448 Q N 1.104 120.887 119.800 -0.028 0.000 2.353 448 Q HA 0.070 4.409 4.340 -0.003 0.000 0.226 448 Q C 0.928 176.923 176.000 -0.008 0.000 0.741 448 Q CA 0.901 56.694 55.803 -0.018 0.000 0.934 448 Q CB 0.651 29.384 28.738 -0.010 0.000 1.292 448 Q HN 0.869 nan 8.270 nan 0.000 0.481 449 T N -0.872 113.679 114.554 -0.005 0.000 2.860 449 T HA 0.083 4.431 4.350 -0.003 0.000 0.299 449 T C 0.542 175.241 174.700 -0.002 0.000 1.045 449 T CA 0.113 62.212 62.100 -0.001 0.000 1.071 449 T CB 0.631 69.500 68.868 0.001 0.000 0.985 449 T HN 0.023 nan 8.240 nan 0.000 0.537 450 D N 0.434 120.833 120.400 -0.001 0.000 2.149 450 D HA -0.069 4.569 4.640 -0.003 0.000 0.198 450 D C 1.933 178.229 176.300 -0.006 0.000 0.990 450 D CA 1.272 55.270 54.000 -0.004 0.000 0.839 450 D CB -0.219 40.579 40.800 -0.004 0.000 0.948 450 D HN 0.784 nan 8.370 nan 0.000 0.460 451 E N 0.674 120.873 120.200 -0.001 0.000 2.077 451 E HA -0.150 4.199 4.350 -0.003 0.000 0.193 451 E C 1.814 178.419 176.600 0.007 0.000 0.989 451 E CA 1.113 57.514 56.400 0.001 0.000 0.800 451 E CB 0.013 29.715 29.700 0.004 0.000 0.746 451 E HN 0.370 nan 8.360 nan 0.000 0.452 452 E N -0.303 119.903 120.200 0.010 0.000 2.072 452 E HA -0.126 4.223 4.350 -0.003 0.000 0.191 452 E C 2.183 178.809 176.600 0.044 0.000 0.985 452 E CA 1.014 57.428 56.400 0.022 0.000 0.801 452 E CB -0.115 29.591 29.700 0.009 0.000 0.750 452 E HN 0.262 nan 8.360 nan 0.000 0.452 453 L N 0.757 121.995 121.223 0.026 0.000 2.093 453 L HA -0.188 4.151 4.340 -0.003 0.000 0.208 453 L C 2.557 179.460 176.870 0.055 0.000 1.085 453 L CA 1.035 55.907 54.840 0.054 0.000 0.755 453 L CB -0.373 41.696 42.059 0.017 0.000 0.904 453 L HN 0.139 nan 8.230 nan 0.000 0.435 454 Q N 0.038 119.834 119.800 -0.007 0.000 2.061 454 Q HA -0.278 4.060 4.340 -0.003 0.000 0.204 454 Q C 1.879 177.843 176.000 -0.059 0.000 0.984 454 Q CA 2.158 57.920 55.803 -0.068 0.000 0.846 454 Q CB -0.136 28.566 28.738 -0.061 0.000 0.902 454 Q HN 0.409 nan 8.270 nan 0.000 0.421 455 D N -0.545 119.853 120.400 -0.004 0.000 2.123 455 D HA -0.221 4.418 4.640 -0.003 0.000 0.196 455 D C 1.617 177.929 176.300 0.020 0.000 0.992 455 D CA 1.131 55.135 54.000 0.006 0.000 0.833 455 D CB -0.203 40.615 40.800 0.030 0.000 0.954 455 D HN 0.354 nan 8.370 nan 0.000 0.455 456 Y N 0.506 120.770 120.300 -0.060 0.000 2.097 456 Y HA -0.203 4.345 4.550 -0.002 0.000 0.282 456 Y C 2.177 178.022 175.900 -0.091 0.000 1.152 456 Y CA 1.778 59.838 58.100 -0.066 0.000 1.136 456 Y CB -0.233 38.188 38.460 -0.066 0.000 0.975 456 Y HN 0.009 nan 8.280 nan 0.000 0.498 457 I N 0.051 120.513 120.570 -0.181 0.000 2.113 457 I HA -0.348 3.821 4.170 -0.003 0.000 0.238 457 I C 2.660 178.659 176.117 -0.197 0.000 1.070 457 I CA 1.732 62.861 61.300 -0.285 0.000 1.332 457 I CB -0.494 37.295 38.000 -0.352 0.000 1.044 457 I HN 0.139 nan 8.210 nan 0.000 0.402 458 R N 0.961 121.351 120.500 -0.183 0.000 2.165 458 R HA -0.271 4.067 4.340 -0.003 0.000 0.254 458 R C 2.179 178.502 176.300 0.039 0.000 1.153 458 R CA 2.006 58.095 56.100 -0.019 0.000 0.971 458 R CB -0.106 30.174 30.300 -0.032 0.000 0.878 458 R HN 0.258 nan 8.270 nan 0.000 0.449 459 K N -1.875 118.452 120.400 -0.122 0.000 2.137 459 K HA -0.011 4.307 4.320 -0.003 0.000 0.202 459 K C 1.503 177.974 176.600 -0.215 0.000 1.052 459 K CA 1.607 57.748 56.287 -0.244 0.000 0.961 459 K CB 0.475 32.660 32.500 -0.524 0.000 0.741 459 K HN 0.371 nan 8.250 nan 0.000 0.452 460 T N -2.352 112.009 114.554 -0.323 0.000 3.043 460 T HA 0.076 4.424 4.350 -0.003 0.000 0.272 460 T C 0.310 174.852 174.700 -0.264 0.000 0.990 460 T CA -0.545 61.341 62.100 -0.358 0.000 0.897 460 T CB -0.414 68.011 68.868 -0.739 0.000 1.111 460 T HN 0.270 nan 8.240 nan 0.000 0.529 461 H N 1.250 120.200 119.070 -0.200 0.000 2.679 461 H HA 0.687 5.242 4.556 -0.003 0.000 0.369 461 H C 0.237 175.497 175.328 -0.113 0.000 1.178 461 H CA -0.228 55.752 56.048 -0.114 0.000 1.419 461 H CB 0.375 30.143 29.762 0.011 0.000 1.458 461 H HN 0.120 nan 8.280 nan 0.000 0.605 462 N N -0.759 117.830 118.700 -0.184 0.000 3.312 462 N HA 0.394 5.133 4.740 -0.003 0.000 0.361 462 N C -1.168 174.176 175.510 -0.277 0.000 1.476 462 N CA -0.105 52.770 53.050 -0.291 0.000 0.669 462 N CB 1.986 40.411 38.487 -0.104 0.000 1.629 462 N HN 0.860 nan 8.380 nan 0.000 0.612 463 T N -1.427 112.878 114.554 -0.415 0.000 2.883 463 T HA 0.439 4.788 4.350 -0.003 0.000 0.296 463 T C -0.040 174.343 174.700 -0.529 0.000 1.117 463 T CA -0.629 61.215 62.100 -0.428 0.000 1.006 463 T CB 0.909 69.493 68.868 -0.473 0.000 1.191 463 T HN 0.047 nan 8.240 nan 0.000 0.508 464 V N 2.671 122.320 119.914 -0.442 0.000 3.623 464 V HA 0.215 4.334 4.120 -0.003 0.000 0.271 464 V C -0.046 175.782 176.094 -0.443 0.000 1.248 464 V CA -0.027 61.946 62.300 -0.544 0.000 1.156 464 V CB -2.168 29.248 31.823 -0.679 0.000 0.870 464 V HN 1.027 nan 8.190 nan 0.000 0.453 465 Y N -0.591 119.617 120.300 -0.153 0.000 3.661 465 Y HA -0.222 4.327 4.550 -0.003 0.000 0.224 465 Y C 0.559 176.695 175.900 0.393 0.000 1.342 465 Y CA 0.465 58.658 58.100 0.154 0.000 1.723 465 Y CB -2.845 35.719 38.460 0.174 0.000 1.546 465 Y HN 0.603 nan 8.280 nan 0.000 0.631 466 H N -0.412 118.838 119.070 0.300 0.000 2.355 466 H HA 0.262 4.816 4.556 -0.003 0.000 0.232 466 H C -2.421 173.027 175.328 0.199 0.000 1.422 466 H CA -2.143 54.067 56.048 0.270 0.000 1.261 466 H CB 0.686 30.629 29.762 0.301 0.000 1.595 466 H HN 0.017 nan 8.280 nan 0.000 0.529 467 P HA 0.135 nan 4.420 nan 0.000 0.285 467 P C -0.170 177.068 177.300 -0.104 0.000 1.259 467 P CA -0.174 62.938 63.100 0.020 0.000 0.794 467 P CB 2.611 34.227 31.700 -0.141 0.000 0.940 468 V N 1.823 121.601 119.914 -0.226 0.000 3.147 468 V HA 0.622 4.741 4.120 -0.003 0.000 0.306 468 V C 0.809 176.726 176.094 -0.295 0.000 1.209 468 V CA 0.269 62.368 62.300 -0.335 0.000 1.023 468 V CB 1.793 33.195 31.823 -0.701 0.000 1.059 468 V HN 0.802 nan 8.190 nan 0.000 0.435 469 G N 2.178 110.802 108.800 -0.295 0.000 2.153 469 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.252 469 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.252 469 G C 0.645 175.430 174.900 -0.192 0.000 0.994 469 G CA 1.063 45.993 45.100 -0.284 0.000 0.698 469 G HN 1.385 nan 8.290 nan 0.000 0.521 470 T N -2.632 111.815 114.554 -0.178 0.000 3.160 470 T HA 0.392 4.741 4.350 -0.003 0.000 0.257 470 T C 0.760 175.389 174.700 -0.118 0.000 1.147 470 T CA 0.888 62.902 62.100 -0.143 0.000 1.064 470 T CB 0.741 69.504 68.868 -0.174 0.000 0.949 470 T HN 0.848 nan 8.240 nan 0.000 0.526 471 V N 2.523 122.354 119.914 -0.139 0.000 2.546 471 V HA 0.311 4.429 4.120 -0.003 0.000 0.260 471 V C 0.109 176.100 176.094 -0.173 0.000 0.933 471 V CA -1.314 60.911 62.300 -0.125 0.000 0.994 471 V CB 0.120 31.874 31.823 -0.115 0.000 1.160 471 V HN 0.531 nan 8.190 nan 0.000 0.523 472 R N 2.675 123.062 120.500 -0.188 0.000 2.539 472 R HA 0.715 5.053 4.340 -0.003 0.000 0.275 472 R C 0.291 176.418 176.300 -0.289 0.000 1.077 472 R CA -0.610 55.306 56.100 -0.307 0.000 1.097 472 R CB 1.051 31.122 30.300 -0.381 0.000 1.018 472 R HN 0.587 nan 8.270 nan 0.000 0.483 473 M N 0.743 120.116 119.600 -0.378 0.000 2.202 473 M HA 0.609 5.088 4.480 -0.003 0.000 0.316 473 M C -0.084 176.060 176.300 -0.260 0.000 1.138 473 M CA 0.195 55.309 55.300 -0.309 0.000 1.151 473 M CB 1.206 33.556 32.600 -0.417 0.000 1.422 473 M HN 0.874 nan 8.290 nan 0.000 0.471 474 G N 0.168 108.880 108.800 -0.146 0.000 2.376 474 G HA2 0.556 4.514 3.960 -0.003 0.000 0.303 474 G HA3 0.556 4.514 3.960 -0.003 0.000 0.303 474 G C -1.886 172.998 174.900 -0.026 0.000 1.276 474 G CA -0.532 44.516 45.100 -0.087 0.000 0.847 474 G HN 1.072 nan 8.290 nan 0.000 0.487 475 A N -0.329 122.486 122.820 -0.008 0.000 2.477 475 A HA 0.510 4.829 4.320 -0.003 0.000 0.246 475 A C 1.768 179.353 177.584 0.002 0.000 1.078 475 A CA 0.451 52.493 52.037 0.009 0.000 0.770 475 A CB 0.687 19.693 19.000 0.010 0.000 1.011 475 A HN 1.490 nan 8.150 nan 0.000 0.494 476 V N 1.993 121.914 119.914 0.012 0.000 2.357 476 V HA -0.267 3.852 4.120 -0.003 0.000 0.257 476 V C 2.438 178.532 176.094 0.000 0.000 1.082 476 V CA 2.616 64.921 62.300 0.008 0.000 1.078 476 V CB -0.625 31.206 31.823 0.014 0.000 0.663 476 V HN 1.044 nan 8.190 nan 0.000 0.455 477 E N -0.168 120.033 120.200 0.000 0.000 2.463 477 E HA -0.010 4.339 4.350 -0.003 0.000 0.193 477 E C 0.213 176.809 176.600 -0.007 0.000 1.041 477 E CA -0.013 56.385 56.400 -0.003 0.000 0.879 477 E CB -0.121 29.578 29.700 -0.000 0.000 0.997 477 E HN 0.571 nan 8.360 nan 0.000 0.478 478 D N 1.588 121.982 120.400 -0.011 0.000 2.365 478 D HA 0.083 4.722 4.640 -0.003 0.000 0.237 478 D C 0.385 176.674 176.300 -0.018 0.000 1.190 478 D CA -0.239 53.751 54.000 -0.016 0.000 0.867 478 D CB 1.237 42.021 40.800 -0.026 0.000 1.050 478 D HN -0.126 nan 8.370 nan 0.000 0.491 479 E N 2.429 122.622 120.200 -0.011 0.000 2.153 479 E HA -0.110 4.238 4.350 -0.003 0.000 0.194 479 E C 1.379 177.976 176.600 -0.004 0.000 0.988 479 E CA 1.029 57.423 56.400 -0.010 0.000 0.811 479 E CB 0.016 29.712 29.700 -0.007 0.000 0.746 479 E HN 0.558 nan 8.360 nan 0.000 0.466 480 M N 0.115 119.718 119.600 0.005 0.000 2.618 480 M HA 0.110 4.589 4.480 -0.003 0.000 0.240 480 M C 0.099 176.415 176.300 0.027 0.000 1.123 480 M CA 0.484 55.811 55.300 0.045 0.000 1.060 480 M CB -0.066 32.584 32.600 0.083 0.000 1.535 480 M HN -0.215 nan 8.290 nan 0.000 0.507 481 S N 1.407 117.083 115.700 -0.039 0.000 2.420 481 S HA 0.258 4.726 4.470 -0.003 0.000 0.313 481 S C -1.609 172.957 174.600 -0.058 0.000 1.079 481 S CA -1.102 57.048 58.200 -0.082 0.000 1.104 481 S CB 1.416 64.551 63.200 -0.109 0.000 0.969 481 S HN 0.076 nan 8.310 nan 0.000 0.471 482 P HA -0.015 nan 4.420 nan 0.000 0.218 482 P C -0.223 177.043 177.300 -0.056 0.000 1.149 482 P CA 0.997 64.066 63.100 -0.051 0.000 0.817 482 P CB 0.133 31.801 31.700 -0.054 0.000 0.785 483 L N -0.844 120.333 121.223 -0.078 0.000 2.313 483 L HA 0.438 4.776 4.340 -0.003 0.000 0.268 483 L C 0.288 177.128 176.870 -0.050 0.000 1.010 483 L CA -1.354 53.449 54.840 -0.062 0.000 0.814 483 L CB 0.872 42.879 42.059 -0.086 0.000 1.304 483 L HN -0.152 nan 8.230 nan 0.000 0.441 484 D N -0.714 119.678 120.400 -0.013 0.000 2.387 484 D HA 0.302 4.940 4.640 -0.003 0.000 0.255 484 D C -2.259 174.068 176.300 0.046 0.000 1.081 484 D CA -2.325 51.682 54.000 0.012 0.000 0.994 484 D CB 0.333 41.151 40.800 0.029 0.000 1.127 484 D HN 0.117 nan 8.370 nan 0.000 0.513 485 P HA -0.150 nan 4.420 nan 0.000 0.223 485 P C 0.283 177.776 177.300 0.321 0.000 1.140 485 P CA 1.253 64.485 63.100 0.219 0.000 0.783 485 P CB 0.050 31.880 31.700 0.215 0.000 0.759 486 E N -1.029 119.285 120.200 0.189 0.000 2.476 486 E HA 0.193 4.542 4.350 -0.003 0.000 0.196 486 E C 0.718 177.414 176.600 0.159 0.000 1.029 486 E CA -0.174 56.335 56.400 0.183 0.000 0.896 486 E CB 0.034 29.798 29.700 0.108 0.000 1.012 486 E HN 0.172 nan 8.360 nan 0.000 0.475 487 L N 0.179 121.475 121.223 0.122 0.000 4.950 487 L HA -0.243 4.095 4.340 -0.003 0.000 0.413 487 L C 0.047 176.940 176.870 0.039 0.000 1.020 487 L CA 0.606 55.483 54.840 0.061 0.000 1.239 487 L CB -1.269 40.857 42.059 0.111 0.000 2.004 487 L HN 0.203 nan 8.230 nan 0.000 0.658 488 R N 0.735 121.264 120.500 0.048 0.000 2.267 488 R HA 0.414 4.753 4.340 -0.003 0.000 0.319 488 R C 0.196 176.511 176.300 0.026 0.000 1.067 488 R CA -0.520 55.606 56.100 0.044 0.000 0.936 488 R CB 1.114 31.445 30.300 0.051 0.000 1.006 488 R HN -0.067 nan 8.270 nan 0.000 0.452 489 V N 4.649 124.580 119.914 0.028 0.000 2.493 489 V HA -0.068 4.050 4.120 -0.003 0.000 0.292 489 V C 0.608 176.706 176.094 0.006 0.000 1.016 489 V CA 0.404 62.713 62.300 0.014 0.000 1.097 489 V CB -0.086 31.757 31.823 0.034 0.000 0.947 489 V HN 0.634 nan 8.190 nan 0.000 0.479 490 K N 3.472 123.864 120.400 -0.012 0.000 2.218 490 K HA 0.562 4.881 4.320 -0.003 0.000 0.276 490 K C 1.200 177.778 176.600 -0.036 0.000 1.022 490 K CA 0.449 56.726 56.287 -0.017 0.000 0.946 490 K CB 0.936 33.424 32.500 -0.019 0.000 1.000 490 K HN 0.965 nan 8.250 nan 0.000 0.468 491 G N 0.021 108.798 108.800 -0.038 0.000 2.213 491 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.226 491 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.226 491 G C -0.050 174.800 174.900 -0.084 0.000 0.992 491 G CA 0.113 45.174 45.100 -0.065 0.000 0.632 491 G HN 0.687 nan 8.290 nan 0.000 0.511 492 V N -2.284 117.600 119.914 -0.050 0.000 3.165 492 V HA 1.007 5.126 4.120 -0.003 0.000 0.309 492 V C -0.099 176.027 176.094 0.054 0.000 1.267 492 V CA 0.359 62.649 62.300 -0.016 0.000 1.067 492 V CB 1.644 33.450 31.823 -0.027 0.000 1.082 492 V HN 1.497 nan 8.190 nan 0.000 0.451 493 T N -2.537 112.081 114.554 0.106 0.000 2.907 493 T HA 0.718 5.067 4.350 -0.003 0.000 0.292 493 T C 0.767 175.539 174.700 0.120 0.000 1.043 493 T CA 0.126 62.283 62.100 0.094 0.000 1.003 493 T CB 1.029 69.937 68.868 0.066 0.000 1.084 493 T HN 2.816 nan 8.240 nan 0.000 0.483 494 G N 0.415 109.269 108.800 0.090 0.000 2.160 494 G HA2 -0.102 3.856 3.960 -0.003 0.000 0.251 494 G HA3 -0.102 3.856 3.960 -0.003 0.000 0.251 494 G C -0.375 174.575 174.900 0.083 0.000 1.008 494 G CA 0.329 45.475 45.100 0.077 0.000 0.724 494 G HN 1.253 nan 8.290 nan 0.000 0.514 495 L N 0.132 121.417 121.223 0.103 0.000 2.404 495 L HA 0.807 5.146 4.340 -0.003 0.000 0.272 495 L C -0.082 176.837 176.870 0.081 0.000 0.980 495 L CA -1.133 53.767 54.840 0.101 0.000 0.836 495 L CB 1.213 43.373 42.059 0.167 0.000 1.238 495 L HN 0.217 nan 8.230 nan 0.000 0.408 496 R N 3.293 123.832 120.500 0.065 0.000 2.854 496 R HA 0.854 5.192 4.340 -0.003 0.000 0.271 496 R C -1.469 174.846 176.300 0.024 0.000 0.996 496 R CA -1.096 55.032 56.100 0.048 0.000 0.961 496 R CB 2.536 32.869 30.300 0.055 0.000 1.182 496 R HN 0.406 nan 8.270 nan 0.000 0.479 497 V N 0.949 120.865 119.914 0.003 0.000 2.540 497 V HA 0.683 4.802 4.120 -0.003 0.000 0.302 497 V C -0.764 175.309 176.094 -0.034 0.000 1.035 497 V CA -0.653 61.633 62.300 -0.024 0.000 0.873 497 V CB 1.680 33.473 31.823 -0.049 0.000 0.992 497 V HN 0.923 nan 8.190 nan 0.000 0.428 498 A N 4.248 127.048 122.820 -0.035 0.000 2.530 498 A HA 0.853 5.171 4.320 -0.003 0.000 0.279 498 A C -0.841 176.716 177.584 -0.044 0.000 1.109 498 A CA -0.357 51.660 52.037 -0.034 0.000 0.763 498 A CB 0.986 19.983 19.000 -0.004 0.000 1.257 498 A HN 1.018 nan 8.150 nan 0.000 0.424 499 D N 0.766 121.128 120.400 -0.064 0.000 3.861 499 D HA 0.387 5.026 4.640 -0.003 0.000 0.364 499 D C 0.836 177.085 176.300 -0.086 0.000 1.563 499 D CA 0.140 54.106 54.000 -0.057 0.000 0.940 499 D CB 0.069 40.838 40.800 -0.052 0.000 1.496 499 D HN 0.653 nan 8.370 nan 0.000 0.588 500 A N -0.356 122.414 122.820 -0.084 0.000 2.168 500 A HA 0.084 4.402 4.320 -0.003 0.000 0.215 500 A C 1.791 179.264 177.584 -0.185 0.000 1.152 500 A CA 1.543 53.510 52.037 -0.117 0.000 0.716 500 A CB -0.950 17.995 19.000 -0.092 0.000 0.794 500 A HN 0.358 nan 8.150 nan 0.000 0.465 501 S N -0.286 115.310 115.700 -0.173 0.000 2.419 501 S HA -0.148 4.320 4.470 -0.003 0.000 0.235 501 S C 1.886 176.334 174.600 -0.253 0.000 1.019 501 S CA 1.546 59.629 58.200 -0.195 0.000 0.982 501 S CB -0.494 62.611 63.200 -0.159 0.000 0.789 501 S HN 0.927 nan 8.310 nan 0.000 0.490 502 V N -0.761 118.979 119.914 -0.289 0.000 3.129 502 V HA 0.201 4.319 4.120 -0.003 0.000 0.259 502 V C 0.663 176.397 176.094 -0.601 0.000 1.116 502 V CA 0.306 62.365 62.300 -0.401 0.000 1.127 502 V CB -0.880 30.699 31.823 -0.408 0.000 0.742 502 V HN 0.356 nan 8.190 nan 0.000 0.474 503 M N 1.838 121.076 119.600 -0.603 0.000 2.252 503 M HA 0.174 4.653 4.480 -0.003 0.000 0.348 503 M C -1.326 174.467 176.300 -0.846 0.000 1.334 503 M CA -0.761 54.012 55.300 -0.879 0.000 1.071 503 M CB 0.634 32.924 32.600 -0.518 0.000 1.763 503 M HN 0.090 nan 8.290 nan 0.000 0.452 504 P HA 0.002 nan 4.420 nan 0.000 0.224 504 P C -0.294 176.473 177.300 -0.888 0.000 1.157 504 P CA 1.126 63.662 63.100 -0.939 0.000 0.799 504 P CB 0.331 31.430 31.700 -1.002 0.000 0.809 505 E N -1.497 118.277 120.200 -0.711 0.000 2.343 505 E HA 0.237 4.586 4.350 -0.003 0.000 0.278 505 E C -1.068 175.565 176.600 0.054 0.000 0.910 505 E CA -0.859 55.365 56.400 -0.292 0.000 0.757 505 E CB 0.489 30.068 29.700 -0.202 0.000 1.218 505 E HN -0.102 nan 8.360 nan 0.000 0.435 506 H N 2.547 121.637 119.070 0.034 0.000 2.897 506 H HA 0.180 4.735 4.556 -0.002 0.000 0.347 506 H C 0.236 175.682 175.328 0.196 0.000 1.068 506 H CA 0.574 56.654 56.048 0.053 0.000 1.426 506 H CB 0.505 30.223 29.762 -0.074 0.000 1.410 506 H HN 0.432 nan 8.280 nan 0.000 0.597 507 V N 2.572 122.835 119.914 0.581 0.000 3.319 507 V HA 0.062 4.180 4.120 -0.003 0.000 0.303 507 V C 1.255 177.435 176.094 0.143 0.000 1.094 507 V CA -0.159 62.371 62.300 0.384 0.000 1.106 507 V CB 0.302 32.327 31.823 0.336 0.000 1.099 507 V HN 0.817 nan 8.190 nan 0.000 0.476 508 T N 1.113 115.682 114.554 0.024 0.000 2.985 508 T HA 0.101 4.449 4.350 -0.003 0.000 0.266 508 T C 0.684 175.254 174.700 -0.217 0.000 1.076 508 T CA 1.272 63.278 62.100 -0.158 0.000 1.135 508 T CB -0.135 68.711 68.868 -0.037 0.000 0.890 508 T HN 0.906 nan 8.240 nan 0.000 0.480 509 V N -0.734 119.105 119.914 -0.126 0.000 3.302 509 V HA 0.508 4.627 4.120 -0.003 0.000 0.304 509 V C -0.316 175.815 176.094 0.061 0.000 1.209 509 V CA -1.651 60.550 62.300 -0.166 0.000 1.032 509 V CB 0.772 32.326 31.823 -0.448 0.000 1.219 509 V HN 0.072 nan 8.190 nan 0.000 0.469 510 N N 2.226 121.006 118.700 0.133 0.000 2.513 510 N HA 0.250 4.988 4.740 -0.003 0.000 0.268 510 N C -2.020 173.483 175.510 -0.012 0.000 1.180 510 N CA -0.712 52.328 53.050 -0.016 0.000 0.948 510 N CB 1.174 39.731 38.487 0.117 0.000 1.083 510 N HN 0.623 nan 8.380 nan 0.000 0.455 511 P HA 0.013 nan 4.420 nan 0.000 0.267 511 P C 0.724 178.063 177.300 0.065 0.000 1.289 511 P CA 0.304 63.438 63.100 0.057 0.000 0.866 511 P CB 0.285 32.041 31.700 0.094 0.000 1.309 512 N N 0.861 119.574 118.700 0.022 0.000 2.037 512 N HA -0.149 4.590 4.740 -0.003 0.000 0.196 512 N C 1.517 177.071 175.510 0.072 0.000 1.034 512 N CA 1.321 54.395 53.050 0.039 0.000 0.861 512 N CB -0.118 38.377 38.487 0.014 0.000 1.039 512 N HN -0.060 nan 8.380 nan 0.000 0.427 513 I N 0.933 121.562 120.570 0.098 0.000 2.394 513 I HA -0.148 4.021 4.170 -0.003 0.000 0.251 513 I C 1.976 178.203 176.117 0.185 0.000 1.136 513 I CA 1.102 62.479 61.300 0.128 0.000 1.425 513 I CB -1.336 36.743 38.000 0.131 0.000 1.079 513 I HN 0.195 nan 8.210 nan 0.000 0.425 514 T N 0.785 115.469 114.554 0.217 0.000 2.904 514 T HA -0.034 4.314 4.350 -0.003 0.000 0.267 514 T C 2.133 176.905 174.700 0.119 0.000 1.059 514 T CA 0.756 62.987 62.100 0.218 0.000 1.137 514 T CB -0.056 68.977 68.868 0.274 0.000 0.879 514 T HN 0.106 nan 8.240 nan 0.000 0.467 515 V N 1.672 121.646 119.914 0.100 0.000 2.453 515 V HA -0.094 4.024 4.120 -0.003 0.000 0.247 515 V C 2.419 178.534 176.094 0.035 0.000 1.048 515 V CA 1.368 63.706 62.300 0.064 0.000 1.049 515 V CB -0.613 31.235 31.823 0.042 0.000 0.672 515 V HN 0.501 nan 8.190 nan 0.000 0.457 516 M N -1.034 118.588 119.600 0.036 0.000 2.213 516 M HA -0.189 4.290 4.480 -0.003 0.000 0.263 516 M C 2.279 178.561 176.300 -0.029 0.000 1.062 516 M CA 1.635 56.947 55.300 0.020 0.000 1.105 516 M CB -0.422 32.236 32.600 0.098 0.000 1.385 516 M HN 0.341 nan 8.290 nan 0.000 0.417 517 M N 1.156 120.717 119.600 -0.065 0.000 2.064 517 M HA -0.139 4.339 4.480 -0.003 0.000 0.260 517 M C 2.053 178.315 176.300 -0.063 0.000 1.073 517 M CA 1.941 57.123 55.300 -0.196 0.000 1.124 517 M CB -0.602 31.698 32.600 -0.501 0.000 1.326 517 M HN 0.206 nan 8.290 nan 0.000 0.410 518 I N 0.518 121.135 120.570 0.078 0.000 2.300 518 I HA -0.274 3.894 4.170 -0.003 0.000 0.252 518 I C 2.403 178.599 176.117 0.133 0.000 1.119 518 I CA 1.468 62.916 61.300 0.247 0.000 1.384 518 I CB -0.845 37.269 38.000 0.190 0.000 1.062 518 I HN 0.475 nan 8.210 nan 0.000 0.426 519 G N -0.262 108.544 108.800 0.010 0.000 2.394 519 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.214 519 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.214 519 G C 1.523 176.364 174.900 -0.099 0.000 1.176 519 G CA 0.218 45.281 45.100 -0.063 0.000 0.786 519 G HN 0.299 nan 8.290 nan 0.000 0.533 520 E N 0.447 120.578 120.200 -0.115 0.000 2.085 520 E HA -0.189 4.159 4.350 -0.003 0.000 0.194 520 E C 2.498 179.040 176.600 -0.098 0.000 0.994 520 E CA 1.150 57.480 56.400 -0.116 0.000 0.801 520 E CB -0.154 29.485 29.700 -0.102 0.000 0.743 520 E HN 0.380 nan 8.360 nan 0.000 0.453 521 R N 0.877 121.329 120.500 -0.079 0.000 2.073 521 R HA -0.129 4.209 4.340 -0.003 0.000 0.234 521 R C 2.571 178.846 176.300 -0.041 0.000 1.134 521 R CA 1.730 57.764 56.100 -0.110 0.000 0.952 521 R CB -0.995 29.197 30.300 -0.180 0.000 0.850 521 R HN 0.248 nan 8.270 nan 0.000 0.433 522 C N 0.259 119.587 119.300 0.046 0.000 2.401 522 C HA -0.060 4.398 4.460 -0.003 0.000 0.276 522 C C 2.814 177.786 174.990 -0.030 0.000 1.233 522 C CA 1.156 60.205 59.018 0.050 0.000 1.753 522 C CB -1.346 26.422 27.740 0.047 0.000 2.029 522 C HN 0.687 nan 8.230 nan 0.000 0.478 523 A N 0.206 122.981 122.820 -0.076 0.000 1.917 523 A HA -0.221 4.098 4.320 -0.003 0.000 0.219 523 A C 1.903 179.426 177.584 -0.101 0.000 1.182 523 A CA 2.463 54.428 52.037 -0.119 0.000 0.633 523 A CB -0.787 18.131 19.000 -0.136 0.000 0.819 523 A HN 0.670 nan 8.150 nan 0.000 0.448 524 D N -0.153 120.196 120.400 -0.085 0.000 2.097 524 D HA -0.072 4.567 4.640 -0.003 0.000 0.197 524 D C 1.973 178.236 176.300 -0.061 0.000 0.984 524 D CA 0.986 54.940 54.000 -0.078 0.000 0.826 524 D CB -0.425 40.319 40.800 -0.093 0.000 0.973 524 D HN 0.432 nan 8.370 nan 0.000 0.460 525 L N 0.521 121.713 121.223 -0.053 0.000 2.051 525 L HA -0.209 4.129 4.340 -0.003 0.000 0.214 525 L C 2.474 179.340 176.870 -0.006 0.000 1.076 525 L CA 0.952 55.780 54.840 -0.020 0.000 0.758 525 L CB -0.342 41.727 42.059 0.017 0.000 0.890 525 L HN 0.064 nan 8.230 nan 0.000 0.433 526 I N -0.376 120.179 120.570 -0.025 0.000 2.233 526 I HA -0.195 3.973 4.170 -0.003 0.000 0.243 526 I C 1.981 178.086 176.117 -0.020 0.000 1.093 526 I CA 0.979 62.265 61.300 -0.022 0.000 1.380 526 I CB -0.151 37.791 38.000 -0.096 0.000 1.067 526 I HN 0.310 nan 8.210 nan 0.000 0.413 527 R N 1.030 121.497 120.500 -0.054 0.000 3.351 527 R HA 0.272 4.611 4.340 -0.003 0.000 0.296 527 R C 0.507 176.796 176.300 -0.018 0.000 1.427 527 R CA -0.185 55.897 56.100 -0.031 0.000 1.257 527 R CB 0.103 30.368 30.300 -0.057 0.000 1.378 527 R HN 0.040 nan 8.270 nan 0.000 0.610 528 S N 0.000 115.694 115.700 -0.011 0.000 2.498 528 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 528 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 528 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 528 S HN 0.000 nan 8.310 nan 0.000 0.517