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 2iae_1_A DATA FIRST_RESID 7 DATA SEQUENCE DDSLYPIAVL IDELRNEDVQ LRLNSIKKLS TIALALGVER TRSELLPFLT DATA SEQUENCE DTIYDEDEVL LALAEQLGTF TTLVGGPEYV HCLLPPLESL ATVEETVVRD DATA SEQUENCE KAVESLRAIS HEHSPSDLEA HFVPLVKRLA GGDWFTSRTS ACGLFSVCYP DATA SEQUENCE RVSSAVKAEL RQYFRNLCSD DTPMVRRAAA SKLGEFAKVL ELDNVKSEII DATA SEQUENCE PMFSNLASDE QDSVRLLAVE ACVNIAQLLP QEDLEALVMP TLRQAAEDKS DATA SEQUENCE WRVRYMVADK FTELQKAVGP EITKTDLVPA FQNLMKDCEA EVRAAASHKV DATA SEQUENCE KEFCENLSAD CRENVIMTQI LPCIKELVSD ANQHVKSALA SVIMGLSPIL DATA SEQUENCE GKDNTIEHLL PLFLAQLKDE CPEVRLNIIS NLDCVNEVIG IRQLSQSLLP DATA SEQUENCE AIVELAEDAK WRVRLAIIEY MPLLAGQLGV EFFDEKLNSL CMAWLVDHVY DATA SEQUENCE AIREAATSNL KKLVEKFGKE WAHATIIPKV LAMSGDPNYL HRMTTLFCIN DATA SEQUENCE VLSEVCGQDI TTKHMLPTVL RMAGDPVANV RFNVAKSLQK IGPILDNSTL DATA SEQUENCE QSEVKPILEK LTQDQDVDVK YFAQEALTVL SLA 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.270 176.300 -0.050 0.000 2.045 7 D CA 0.000 53.974 54.000 -0.043 0.000 0.868 7 D CB 0.000 40.780 40.800 -0.034 0.000 0.688 8 D N -0.158 120.202 120.400 -0.068 0.000 2.859 8 D HA 0.509 5.149 4.640 -0.000 0.000 0.223 8 D C 0.625 176.855 176.300 -0.118 0.000 1.218 8 D CA -0.366 53.587 54.000 -0.079 0.000 0.850 8 D CB 1.813 42.567 40.800 -0.076 0.000 1.656 8 D HN 0.268 nan 8.370 nan 0.000 0.484 9 S N 0.969 116.604 115.700 -0.109 0.000 2.427 9 S HA 0.090 4.560 4.470 -0.000 0.000 0.224 9 S C 1.013 175.481 174.600 -0.221 0.000 1.047 9 S CA 0.216 58.336 58.200 -0.134 0.000 0.953 9 S CB -0.068 63.094 63.200 -0.064 0.000 0.824 9 S HN 0.369 nan 8.310 nan 0.000 0.502 10 L N 0.038 121.175 121.223 -0.143 0.000 2.540 10 L HA 0.261 4.601 4.340 -0.000 0.000 0.215 10 L C 0.442 177.176 176.870 -0.226 0.000 1.204 10 L CA 0.720 55.512 54.840 -0.080 0.000 0.841 10 L CB -0.007 42.069 42.059 0.029 0.000 1.420 10 L HN 0.260 nan 8.230 nan 0.000 0.519 11 Y N -1.989 118.307 120.300 -0.007 0.000 2.527 11 Y HA 0.189 4.739 4.550 -0.000 0.000 0.247 11 Y C -0.891 175.005 175.900 -0.008 0.000 1.138 11 Y CA -0.506 57.590 58.100 -0.007 0.000 1.228 11 Y CB -0.912 37.545 38.460 -0.006 0.000 1.252 11 Y HN 0.545 nan 8.280 nan 0.000 0.531 12 P HA -0.159 nan 4.420 nan 0.000 0.215 12 P C 1.372 178.699 177.300 0.045 0.000 1.157 12 P CA 1.430 64.571 63.100 0.070 0.000 0.863 12 P CB -0.072 31.652 31.700 0.040 0.000 0.787 13 I N -1.149 119.437 120.570 0.025 0.000 2.139 13 I HA -0.090 4.080 4.170 -0.000 0.000 0.211 13 I C 0.911 177.036 176.117 0.014 0.000 1.000 13 I CA 1.568 62.873 61.300 0.009 0.000 1.327 13 I CB -1.515 36.481 38.000 -0.007 0.000 1.052 13 I HN -0.076 nan 8.210 nan 0.000 0.385 14 A N -1.027 121.802 122.820 0.014 0.000 2.599 14 A HA 0.715 5.035 4.320 -0.000 0.000 0.281 14 A C -0.061 177.534 177.584 0.018 0.000 1.137 14 A CA -0.262 51.784 52.037 0.014 0.000 0.767 14 A CB 1.371 20.374 19.000 0.004 0.000 1.266 14 A HN 0.308 nan 8.150 nan 0.000 0.420 15 V N 2.323 122.255 119.914 0.029 0.000 3.154 15 V HA 0.025 4.145 4.120 -0.000 0.000 0.221 15 V C 2.011 178.123 176.094 0.029 0.000 1.504 15 V CA 0.908 63.227 62.300 0.033 0.000 1.243 15 V CB -0.802 31.057 31.823 0.059 0.000 1.115 15 V HN 0.755 nan 8.190 nan 0.000 0.481 16 L N 1.520 122.761 121.223 0.030 0.000 2.064 16 L HA -0.157 4.183 4.340 -0.000 0.000 0.216 16 L C 1.209 178.088 176.870 0.016 0.000 1.077 16 L CA 2.070 56.922 54.840 0.021 0.000 0.766 16 L CB -0.618 41.452 42.059 0.018 0.000 0.890 16 L HN 0.487 nan 8.230 nan 0.000 0.435 17 I N -3.184 117.396 120.570 0.016 0.000 2.428 17 I HA 0.288 4.458 4.170 -0.000 0.000 0.296 17 I C -0.827 175.297 176.117 0.012 0.000 0.985 17 I CA -0.533 60.776 61.300 0.014 0.000 1.260 17 I CB 1.190 39.200 38.000 0.017 0.000 1.389 17 I HN -0.154 nan 8.210 nan 0.000 0.484 18 D N 4.471 124.878 120.400 0.011 0.000 3.163 18 D HA 0.219 4.859 4.640 -0.000 0.000 0.284 18 D C 0.084 176.391 176.300 0.012 0.000 1.368 18 D CA 0.135 54.141 54.000 0.010 0.000 0.895 18 D CB 0.556 41.361 40.800 0.008 0.000 1.061 18 D HN 0.690 nan 8.370 nan 0.000 0.496 19 E N -0.514 119.695 120.200 0.014 0.000 2.603 19 E HA 0.067 4.417 4.350 -0.000 0.000 0.224 19 E C 1.816 178.430 176.600 0.023 0.000 0.896 19 E CA 0.041 56.452 56.400 0.018 0.000 1.224 19 E CB 0.519 30.231 29.700 0.020 0.000 1.206 19 E HN 0.270 nan 8.360 nan 0.000 0.576 20 L N -0.720 120.516 121.223 0.021 0.000 2.046 20 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 20 L C 0.908 177.798 176.870 0.033 0.000 1.077 20 L CA 0.967 55.823 54.840 0.027 0.000 0.747 20 L CB -0.174 41.891 42.059 0.010 0.000 0.896 20 L HN -0.195 nan 8.230 nan 0.000 0.432 21 R N 2.060 122.573 120.500 0.022 0.000 2.229 21 R HA 0.304 4.644 4.340 -0.000 0.000 0.328 21 R C -0.744 175.571 176.300 0.025 0.000 1.009 21 R CA -0.144 55.971 56.100 0.026 0.000 0.864 21 R CB 0.813 31.123 30.300 0.016 0.000 1.085 21 R HN 0.603 nan 8.270 nan 0.000 0.453 22 N N -0.109 118.608 118.700 0.029 0.000 2.384 22 N HA 0.259 4.999 4.740 -0.000 0.000 0.301 22 N C -0.221 175.302 175.510 0.023 0.000 1.133 22 N CA -0.722 52.344 53.050 0.025 0.000 0.853 22 N CB 1.957 40.460 38.487 0.027 0.000 1.241 22 N HN 0.309 nan 8.380 nan 0.000 0.502 23 E N 0.015 120.226 120.200 0.019 0.000 2.332 23 E HA 0.052 4.402 4.350 -0.000 0.000 0.202 23 E C -0.444 176.166 176.600 0.016 0.000 0.877 23 E CA 0.354 56.764 56.400 0.017 0.000 0.979 23 E CB 0.199 29.908 29.700 0.014 0.000 0.969 23 E HN 0.753 nan 8.360 nan 0.000 0.495 24 D N -0.676 119.733 120.400 0.015 0.000 2.541 24 D HA 0.187 4.827 4.640 -0.000 0.000 0.276 24 D C 1.216 177.525 176.300 0.015 0.000 1.190 24 D CA -0.250 53.759 54.000 0.014 0.000 1.095 24 D CB 1.345 42.152 40.800 0.012 0.000 1.173 24 D HN -0.259 nan 8.370 nan 0.000 0.604 25 V N -0.167 119.755 119.914 0.013 0.000 2.690 25 V HA 0.025 4.145 4.120 -0.000 0.000 0.240 25 V C 2.023 178.124 176.094 0.012 0.000 1.078 25 V CA 0.399 62.707 62.300 0.013 0.000 1.102 25 V CB -0.399 31.431 31.823 0.011 0.000 0.800 25 V HN 0.466 nan 8.190 nan 0.000 0.479 26 Q N -0.068 119.738 119.800 0.012 0.000 2.297 26 Q HA -0.026 4.314 4.340 -0.000 0.000 0.204 26 Q C 2.188 178.196 176.000 0.013 0.000 0.962 26 Q CA 0.899 56.709 55.803 0.012 0.000 0.879 26 Q CB -0.011 28.733 28.738 0.011 0.000 0.947 26 Q HN 0.402 nan 8.270 nan 0.000 0.462 27 L N 0.055 121.286 121.223 0.014 0.000 2.046 27 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 27 L C 2.435 179.316 176.870 0.019 0.000 1.077 27 L CA 1.599 56.448 54.840 0.016 0.000 0.747 27 L CB -0.793 41.275 42.059 0.015 0.000 0.896 27 L HN 0.227 nan 8.230 nan 0.000 0.432 28 R N -0.244 120.267 120.500 0.018 0.000 2.093 28 R HA -0.144 4.196 4.340 -0.000 0.000 0.224 28 R C 2.309 178.618 176.300 0.016 0.000 1.101 28 R CA 0.805 56.917 56.100 0.020 0.000 0.979 28 R CB -0.190 30.121 30.300 0.017 0.000 0.877 28 R HN 0.175 nan 8.270 nan 0.000 0.441 29 L N 1.171 122.402 121.223 0.013 0.000 2.046 29 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 29 L C 1.362 178.242 176.870 0.016 0.000 1.077 29 L CA 1.923 56.770 54.840 0.011 0.000 0.747 29 L CB -0.526 41.539 42.059 0.010 0.000 0.896 29 L HN 0.182 nan 8.230 nan 0.000 0.432 30 N N -1.452 117.259 118.700 0.018 0.000 2.457 30 N HA -0.076 4.664 4.740 -0.000 0.000 0.180 30 N C 1.690 177.215 175.510 0.026 0.000 1.050 30 N CA 0.937 53.999 53.050 0.020 0.000 0.906 30 N CB 0.109 38.607 38.487 0.018 0.000 0.968 30 N HN 0.344 nan 8.380 nan 0.000 0.445 31 S N -0.069 115.647 115.700 0.027 0.000 2.377 31 S HA 0.043 4.513 4.470 -0.000 0.000 0.223 31 S C 1.622 176.247 174.600 0.042 0.000 1.030 31 S CA 0.572 58.794 58.200 0.036 0.000 0.970 31 S CB 0.055 63.279 63.200 0.039 0.000 0.830 31 S HN 0.322 nan 8.310 nan 0.000 0.473 32 I N 1.392 121.981 120.570 0.031 0.000 2.716 32 I HA 0.074 4.244 4.170 -0.000 0.000 0.259 32 I C 2.169 178.306 176.117 0.034 0.000 1.172 32 I CA 0.887 62.203 61.300 0.026 0.000 1.478 32 I CB -0.898 37.102 38.000 -0.000 0.000 1.104 32 I HN 0.249 nan 8.210 nan 0.000 0.439 33 K N 1.751 122.171 120.400 0.032 0.000 2.217 33 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 33 K C 1.716 178.344 176.600 0.048 0.000 1.051 33 K CA 0.995 57.303 56.287 0.036 0.000 0.952 33 K CB 0.196 32.713 32.500 0.027 0.000 0.736 33 K HN 0.079 nan 8.250 nan 0.000 0.453 34 K N 0.907 121.336 120.400 0.048 0.000 2.498 34 K HA 0.059 4.379 4.320 -0.000 0.000 0.207 34 K C 1.058 177.701 176.600 0.071 0.000 1.033 34 K CA -0.142 56.176 56.287 0.052 0.000 1.138 34 K CB 0.369 32.892 32.500 0.038 0.000 0.860 34 K HN 0.026 nan 8.250 nan 0.000 0.490 35 L N 0.309 121.590 121.223 0.096 0.000 2.376 35 L HA -0.007 4.333 4.340 -0.000 0.000 0.219 35 L C 1.872 178.868 176.870 0.209 0.000 1.133 35 L CA 1.185 56.116 54.840 0.150 0.000 0.816 35 L CB -0.315 41.833 42.059 0.147 0.000 0.933 35 L HN 0.090 nan 8.230 nan 0.000 0.449 36 S N -0.968 114.832 115.700 0.166 0.000 2.420 36 S HA -0.154 4.316 4.470 -0.000 0.000 0.237 36 S C 1.179 175.798 174.600 0.031 0.000 1.023 36 S CA 1.574 59.847 58.200 0.121 0.000 0.991 36 S CB -0.515 62.736 63.200 0.086 0.000 0.792 36 S HN 0.696 nan 8.310 nan 0.000 0.488 37 T N -1.110 113.466 114.554 0.037 0.000 3.532 37 T HA 0.562 4.912 4.350 -0.000 0.000 0.241 37 T C 0.399 175.110 174.700 0.018 0.000 1.238 37 T CA -0.566 61.537 62.100 0.006 0.000 1.405 37 T CB 0.008 68.880 68.868 0.007 0.000 0.971 37 T HN 0.303 nan 8.240 nan 0.000 0.640 38 I N -0.582 120.006 120.570 0.029 0.000 4.592 38 I HA 0.343 4.513 4.170 -0.000 0.000 0.329 38 I C 2.276 178.403 176.117 0.016 0.000 1.309 38 I CA -0.098 61.225 61.300 0.037 0.000 1.243 38 I CB 0.221 38.266 38.000 0.075 0.000 1.241 38 I HN 0.478 nan 8.210 nan 0.000 0.434 39 A N 1.692 124.498 122.820 -0.024 0.000 1.887 39 A HA 0.007 4.327 4.320 -0.000 0.000 0.212 39 A C 2.148 179.673 177.584 -0.097 0.000 1.198 39 A CA 0.852 52.842 52.037 -0.078 0.000 0.628 39 A CB -0.465 18.408 19.000 -0.212 0.000 0.847 39 A HN 0.357 nan 8.150 nan 0.000 0.449 40 L N -1.642 119.514 121.223 -0.113 0.000 2.201 40 L HA 0.188 4.528 4.340 -0.000 0.000 0.212 40 L C 2.263 179.102 176.870 -0.052 0.000 1.105 40 L CA 2.035 56.823 54.840 -0.086 0.000 0.775 40 L CB -1.061 40.947 42.059 -0.085 0.000 0.913 40 L HN 0.171 nan 8.230 nan 0.000 0.440 41 A N -0.389 122.408 122.820 -0.038 0.000 1.968 41 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 41 A C 1.421 178.991 177.584 -0.024 0.000 1.169 41 A CA 1.192 53.216 52.037 -0.022 0.000 0.638 41 A CB -0.323 18.672 19.000 -0.008 0.000 0.812 41 A HN 0.389 nan 8.150 nan 0.000 0.446 42 L N -0.490 120.716 121.223 -0.029 0.000 2.534 42 L HA 0.490 4.830 4.340 -0.000 0.000 0.259 42 L C -0.047 176.801 176.870 -0.037 0.000 1.108 42 L CA -0.060 54.762 54.840 -0.030 0.000 0.905 42 L CB 0.920 42.965 42.059 -0.024 0.000 1.138 42 L HN 0.585 nan 8.230 nan 0.000 0.475 43 G N 2.323 111.096 108.800 -0.046 0.000 3.341 43 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.374 43 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.374 43 G C 0.347 175.206 174.900 -0.068 0.000 0.885 43 G CA -0.030 45.038 45.100 -0.055 0.000 0.740 43 G HN 0.946 nan 8.290 nan 0.000 0.390 44 V N -0.446 119.417 119.914 -0.085 0.000 3.593 44 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 44 V C 1.375 177.389 176.094 -0.132 0.000 1.237 44 V CA 2.074 64.309 62.300 -0.108 0.000 1.194 44 V CB 0.129 31.885 31.823 -0.111 0.000 0.949 44 V HN 0.800 nan 8.190 nan 0.000 0.467 45 E N 0.285 120.418 120.200 -0.112 0.000 2.367 45 E HA 0.197 4.547 4.350 -0.000 0.000 0.204 45 E C 2.249 178.796 176.600 -0.090 0.000 0.840 45 E CA 0.013 56.337 56.400 -0.126 0.000 1.051 45 E CB 0.292 29.928 29.700 -0.106 0.000 1.051 45 E HN 0.419 nan 8.360 nan 0.000 0.509 46 R N -0.039 120.424 120.500 -0.062 0.000 2.200 46 R HA 0.092 4.433 4.340 -0.000 0.000 0.208 46 R C 1.739 178.026 176.300 -0.021 0.000 1.033 46 R CA 1.178 57.253 56.100 -0.041 0.000 1.000 46 R CB -0.038 30.240 30.300 -0.036 0.000 0.906 46 R HN 0.143 nan 8.270 nan 0.000 0.462 47 T N 1.300 115.844 114.554 -0.016 0.000 2.665 47 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 47 T C 1.828 176.547 174.700 0.033 0.000 1.035 47 T CA 1.414 63.532 62.100 0.030 0.000 1.151 47 T CB -0.153 68.737 68.868 0.037 0.000 0.862 47 T HN 0.284 nan 8.240 nan 0.000 0.438 48 R N 0.342 120.837 120.500 -0.009 0.000 2.115 48 R HA -0.008 4.332 4.340 -0.000 0.000 0.230 48 R C 2.694 178.983 176.300 -0.019 0.000 1.111 48 R CA 1.384 57.470 56.100 -0.023 0.000 0.976 48 R CB -0.347 29.911 30.300 -0.070 0.000 0.870 48 R HN 0.282 nan 8.270 nan 0.000 0.445 49 S N -0.484 115.203 115.700 -0.021 0.000 2.395 49 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 49 S C 1.517 176.118 174.600 0.001 0.000 1.027 49 S CA 0.921 59.112 58.200 -0.015 0.000 0.965 49 S CB 0.168 63.354 63.200 -0.024 0.000 0.812 49 S HN 0.360 nan 8.310 nan 0.000 0.482 50 E N -0.411 119.794 120.200 0.010 0.000 2.571 50 E HA 0.150 4.500 4.350 -0.000 0.000 0.204 50 E C 1.701 178.341 176.600 0.067 0.000 0.851 50 E CA 0.105 56.517 56.400 0.020 0.000 1.358 50 E CB -0.615 29.076 29.700 -0.015 0.000 1.327 50 E HN 0.378 nan 8.360 nan 0.000 0.665 51 L N 1.706 122.973 121.223 0.074 0.000 2.017 51 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 51 L C 2.204 179.187 176.870 0.188 0.000 1.073 51 L CA 1.406 56.338 54.840 0.153 0.000 0.745 51 L CB -0.493 41.647 42.059 0.134 0.000 0.894 51 L HN 0.131 nan 8.230 nan 0.000 0.432 52 L N -0.166 121.117 121.223 0.099 0.000 2.027 52 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 52 L C -0.177 176.707 176.870 0.023 0.000 1.074 52 L CA 1.676 56.540 54.840 0.039 0.000 0.745 52 L CB -2.464 39.603 42.059 0.013 0.000 0.898 52 L HN 0.275 nan 8.230 nan 0.000 0.433 53 P HA -0.153 nan 4.420 nan 0.000 0.239 53 P C 1.198 178.545 177.300 0.078 0.000 1.184 53 P CA 0.866 63.988 63.100 0.036 0.000 0.760 53 P CB -0.093 31.630 31.700 0.039 0.000 0.884 54 F N 1.562 121.487 119.950 -0.042 0.000 2.138 54 F HA 0.060 4.587 4.527 -0.000 0.000 0.283 54 F C 1.010 176.765 175.800 -0.075 0.000 1.100 54 F CA 0.506 58.475 58.000 -0.052 0.000 1.189 54 F CB -0.892 38.083 39.000 -0.042 0.000 1.060 54 F HN -0.294 nan 8.300 nan 0.000 0.492 55 L N 1.461 122.408 121.223 -0.460 0.000 2.919 55 L HA 0.335 4.675 4.340 -0.000 0.000 0.242 55 L C 1.217 177.902 176.870 -0.309 0.000 1.366 55 L CA 0.472 54.975 54.840 -0.563 0.000 1.212 55 L CB -1.720 40.110 42.059 -0.382 0.000 1.604 55 L HN 0.289 nan 8.230 nan 0.000 0.433 56 T N -1.225 113.177 114.554 -0.254 0.000 2.571 56 T HA -0.135 4.215 4.350 -0.000 0.000 0.255 56 T C 0.847 175.435 174.700 -0.187 0.000 1.100 56 T CA 1.474 63.473 62.100 -0.169 0.000 1.199 56 T CB -0.514 68.285 68.868 -0.114 0.000 0.870 56 T HN 0.676 nan 8.240 nan 0.000 0.399 57 D N -1.097 119.179 120.400 -0.208 0.000 2.602 57 D HA 0.218 4.858 4.640 -0.000 0.000 0.265 57 D C 1.161 177.250 176.300 -0.352 0.000 1.454 57 D CA -0.303 53.582 54.000 -0.191 0.000 0.795 57 D CB -0.255 40.502 40.800 -0.072 0.000 1.140 57 D HN 0.242 nan 8.370 nan 0.000 0.486 58 T N 0.375 114.629 114.554 -0.499 0.000 2.788 58 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 58 T C 0.830 174.908 174.700 -1.036 0.000 1.044 58 T CA 0.439 62.098 62.100 -0.736 0.000 1.139 58 T CB -0.136 68.346 68.868 -0.643 0.000 0.867 58 T HN 0.309 nan 8.240 nan 0.000 0.454 59 I N 2.160 122.328 120.570 -0.669 0.000 2.379 59 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 59 I C -0.232 175.709 176.117 -0.293 0.000 1.063 59 I CA -0.979 60.048 61.300 -0.453 0.000 1.351 59 I CB -0.180 37.666 38.000 -0.257 0.000 1.410 59 I HN 0.382 nan 8.210 nan 0.000 0.505 60 Y N 2.797 123.055 120.300 -0.070 0.000 2.863 60 Y HA 0.445 4.995 4.550 -0.000 0.000 0.254 60 Y C 0.052 175.926 175.900 -0.042 0.000 1.124 60 Y CA -0.792 57.274 58.100 -0.058 0.000 1.203 60 Y CB -0.569 37.857 38.460 -0.056 0.000 1.269 60 Y HN 0.434 nan 8.280 nan 0.000 0.586 61 D N 0.967 121.503 120.400 0.227 0.000 2.429 61 D HA 0.008 4.648 4.640 -0.000 0.000 0.242 61 D C 0.217 176.552 176.300 0.058 0.000 1.076 61 D CA 0.827 54.903 54.000 0.127 0.000 0.955 61 D CB 0.177 41.044 40.800 0.111 0.000 1.076 61 D HN 0.152 nan 8.370 nan 0.000 0.448 62 E N 0.843 121.066 120.200 0.040 0.000 2.183 62 E HA 0.176 4.526 4.350 -0.000 0.000 0.271 62 E C -0.260 176.346 176.600 0.010 0.000 0.919 62 E CA -0.202 56.209 56.400 0.020 0.000 0.781 62 E CB 1.773 31.482 29.700 0.015 0.000 1.140 62 E HN 0.051 nan 8.360 nan 0.000 0.402 63 D N 1.399 121.802 120.400 0.005 0.000 2.219 63 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 63 D C 1.199 177.496 176.300 -0.004 0.000 0.970 63 D CA 0.937 54.936 54.000 -0.001 0.000 0.851 63 D CB 0.286 41.085 40.800 -0.002 0.000 0.943 63 D HN 0.341 nan 8.370 nan 0.000 0.488 64 E N -0.072 120.128 120.200 -0.000 0.000 2.204 64 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 64 E C 2.013 178.611 176.600 -0.004 0.000 0.990 64 E CA 0.200 56.600 56.400 0.000 0.000 0.821 64 E CB -0.041 29.661 29.700 0.004 0.000 0.750 64 E HN 0.136 nan 8.360 nan 0.000 0.477 65 V N 0.355 120.265 119.914 -0.007 0.000 2.358 65 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 65 V C 2.182 178.259 176.094 -0.028 0.000 1.047 65 V CA 1.379 63.669 62.300 -0.015 0.000 1.035 65 V CB -0.467 31.345 31.823 -0.018 0.000 0.658 65 V HN 0.262 nan 8.190 nan 0.000 0.452 66 L N -0.312 120.893 121.223 -0.029 0.000 2.217 66 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 66 L C 2.414 179.264 176.870 -0.033 0.000 1.107 66 L CA 0.762 55.578 54.840 -0.040 0.000 0.783 66 L CB -0.474 41.563 42.059 -0.036 0.000 0.919 66 L HN 0.328 nan 8.230 nan 0.000 0.442 67 L N 0.292 121.503 121.223 -0.020 0.000 2.141 67 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 67 L C 2.547 179.410 176.870 -0.012 0.000 1.094 67 L CA 1.886 56.718 54.840 -0.012 0.000 0.763 67 L CB -0.591 41.466 42.059 -0.003 0.000 0.908 67 L HN 0.234 nan 8.230 nan 0.000 0.437 68 A N -0.143 122.668 122.820 -0.014 0.000 1.898 68 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 68 A C 2.123 179.690 177.584 -0.028 0.000 1.183 68 A CA 1.217 53.247 52.037 -0.011 0.000 0.622 68 A CB -0.687 18.310 19.000 -0.005 0.000 0.824 68 A HN 0.427 nan 8.150 nan 0.000 0.444 69 L N 0.167 121.360 121.223 -0.050 0.000 2.042 69 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 69 L C 2.536 179.345 176.870 -0.102 0.000 1.076 69 L CA 2.299 57.086 54.840 -0.090 0.000 0.749 69 L CB -0.865 41.130 42.059 -0.107 0.000 0.893 69 L HN 0.336 nan 8.230 nan 0.000 0.432 70 A N -1.034 121.744 122.820 -0.069 0.000 1.933 70 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 70 A C 2.200 179.765 177.584 -0.031 0.000 1.175 70 A CA 1.587 53.592 52.037 -0.053 0.000 0.628 70 A CB -0.614 18.367 19.000 -0.032 0.000 0.814 70 A HN 0.552 nan 8.150 nan 0.000 0.444 71 E N -0.396 119.795 120.200 -0.015 0.000 2.153 71 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 71 E C 2.180 178.792 176.600 0.021 0.000 0.988 71 E CA 1.069 57.476 56.400 0.011 0.000 0.811 71 E CB -0.116 29.595 29.700 0.018 0.000 0.746 71 E HN 0.591 nan 8.360 nan 0.000 0.466 72 Q N 0.207 119.997 119.800 -0.018 0.000 2.008 72 Q HA -0.009 4.331 4.340 -0.000 0.000 0.196 72 Q C 2.513 178.458 176.000 -0.092 0.000 0.973 72 Q CA 0.585 56.377 55.803 -0.018 0.000 0.826 72 Q CB -0.557 28.115 28.738 -0.110 0.000 0.894 72 Q HN 0.297 nan 8.270 nan 0.000 0.439 73 L N 0.519 121.595 121.223 -0.246 0.000 2.447 73 L HA -0.145 4.195 4.340 -0.000 0.000 0.225 73 L C 2.033 178.904 176.870 0.002 0.000 1.148 73 L CA 0.912 55.611 54.840 -0.234 0.000 0.808 73 L CB -0.499 41.438 42.059 -0.204 0.000 0.928 73 L HN 0.272 nan 8.230 nan 0.000 0.448 74 G N -0.755 108.073 108.800 0.048 0.000 2.408 74 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.213 74 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.213 74 G C 1.624 176.611 174.900 0.146 0.000 1.177 74 G CA 0.889 46.047 45.100 0.097 0.000 0.802 74 G HN 0.417 nan 8.290 nan 0.000 0.533 75 T N -1.556 113.106 114.554 0.180 0.000 3.035 75 T HA 0.093 4.443 4.350 -0.000 0.000 0.268 75 T C 1.702 176.550 174.700 0.246 0.000 1.109 75 T CA 0.045 62.259 62.100 0.190 0.000 1.119 75 T CB -0.444 68.526 68.868 0.170 0.000 0.900 75 T HN 0.168 nan 8.240 nan 0.000 0.503 76 F N 2.730 122.696 119.950 0.027 0.000 2.738 76 F HA 0.055 4.582 4.527 -0.000 0.000 0.301 76 F C 2.014 177.829 175.800 0.026 0.000 1.269 76 F CA -0.246 57.767 58.000 0.022 0.000 1.441 76 F CB -0.631 38.379 39.000 0.017 0.000 1.101 76 F HN 0.198 nan 8.300 nan 0.000 0.545 77 T N -1.814 112.828 114.554 0.148 0.000 2.720 77 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 77 T C 2.084 176.818 174.700 0.058 0.000 1.037 77 T CA 2.095 64.254 62.100 0.099 0.000 1.144 77 T CB -0.211 68.706 68.868 0.081 0.000 0.864 77 T HN 0.314 nan 8.240 nan 0.000 0.444 78 T N -0.068 114.495 114.554 0.015 0.000 2.969 78 T HA 0.236 4.586 4.350 -0.000 0.000 0.250 78 T C 1.122 175.790 174.700 -0.054 0.000 1.021 78 T CA -0.242 61.855 62.100 -0.004 0.000 1.003 78 T CB -0.164 68.699 68.868 -0.008 0.000 1.040 78 T HN 0.056 nan 8.240 nan 0.000 0.492 79 L N 1.709 122.844 121.223 -0.147 0.000 2.762 79 L HA 0.274 4.614 4.340 -0.000 0.000 0.250 79 L C 1.130 177.872 176.870 -0.214 0.000 1.160 79 L CA 0.561 55.241 54.840 -0.266 0.000 0.951 79 L CB 0.200 41.923 42.059 -0.560 0.000 1.148 79 L HN 0.182 nan 8.230 nan 0.000 0.424 80 V N -2.030 117.833 119.914 -0.085 0.000 3.537 80 V HA 0.486 4.606 4.120 -0.000 0.000 0.315 80 V C 1.102 177.166 176.094 -0.050 0.000 1.541 80 V CA 0.654 62.925 62.300 -0.049 0.000 1.160 80 V CB 0.457 32.307 31.823 0.046 0.000 0.998 80 V HN 0.460 nan 8.190 nan 0.000 0.473 81 G N -0.323 108.477 108.800 -0.001 0.000 2.481 81 G HA2 0.289 4.249 3.960 -0.000 0.000 0.200 81 G HA3 0.289 4.249 3.960 -0.000 0.000 0.200 81 G C 1.518 176.566 174.900 0.247 0.000 1.012 81 G CA 0.590 45.757 45.100 0.112 0.000 0.676 81 G HN 2.038 nan 8.290 nan 0.000 0.488 82 G N 0.247 109.164 108.800 0.196 0.000 2.378 82 G HA2 0.288 4.248 3.960 -0.000 0.000 0.198 82 G HA3 0.288 4.248 3.960 -0.000 0.000 0.198 82 G C -0.980 173.955 174.900 0.059 0.000 1.223 82 G CA 0.486 45.649 45.100 0.105 0.000 1.088 82 G HN 0.754 nan 8.290 nan 0.000 0.530 83 P HA -0.156 nan 4.420 nan 0.000 0.218 83 P C 1.304 178.517 177.300 -0.145 0.000 1.154 83 P CA 2.264 65.327 63.100 -0.061 0.000 0.872 83 P CB -0.064 31.610 31.700 -0.043 0.000 0.790 84 E N -1.701 118.338 120.200 -0.268 0.000 2.358 84 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 84 E C 0.400 176.697 176.600 -0.505 0.000 1.010 84 E CA 0.441 56.546 56.400 -0.491 0.000 0.856 84 E CB -0.026 29.190 29.700 -0.806 0.000 0.795 84 E HN 0.347 nan 8.360 nan 0.000 0.504 85 Y N -1.088 119.200 120.300 -0.021 0.000 2.716 85 Y HA 0.132 4.682 4.550 -0.000 0.000 0.260 85 Y C 1.120 176.949 175.900 -0.119 0.000 1.141 85 Y CA -0.434 57.633 58.100 -0.054 0.000 1.168 85 Y CB 0.521 38.951 38.460 -0.049 0.000 1.189 85 Y HN -0.036 nan 8.280 nan 0.000 0.549 86 V N -2.479 117.398 119.914 -0.062 0.000 2.788 86 V HA -0.152 3.968 4.120 -0.000 0.000 0.251 86 V C 2.180 178.217 176.094 -0.094 0.000 1.068 86 V CA 1.774 63.997 62.300 -0.127 0.000 1.090 86 V CB -0.715 30.903 31.823 -0.342 0.000 0.710 86 V HN 0.619 nan 8.190 nan 0.000 0.467 87 H N -0.586 118.412 119.070 -0.120 0.000 2.567 87 H HA 0.021 4.577 4.556 -0.000 0.000 0.276 87 H C 1.525 176.780 175.328 -0.121 0.000 1.016 87 H CA 1.202 57.199 56.048 -0.085 0.000 1.186 87 H CB -0.586 28.994 29.762 -0.303 0.000 1.351 87 H HN 0.534 nan 8.280 nan 0.000 0.605 88 C N 0.698 119.777 119.300 -0.369 0.000 2.673 88 C HA 0.202 4.662 4.460 -0.000 0.000 0.264 88 C C 2.696 177.632 174.990 -0.091 0.000 1.304 88 C CA -0.342 58.529 59.018 -0.246 0.000 1.727 88 C CB -0.647 26.954 27.740 -0.232 0.000 1.932 88 C HN 0.523 nan 8.230 nan 0.000 0.563 89 L N 0.354 121.555 121.223 -0.037 0.000 2.395 89 L HA -0.005 4.335 4.340 -0.000 0.000 0.218 89 L C 2.282 179.147 176.870 -0.008 0.000 1.130 89 L CA 0.932 55.767 54.840 -0.007 0.000 0.826 89 L CB -0.438 41.647 42.059 0.044 0.000 0.941 89 L HN 0.407 nan 8.230 nan 0.000 0.451 90 L N 0.039 121.269 121.223 0.013 0.000 2.017 90 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 90 L C -0.080 176.766 176.870 -0.039 0.000 1.073 90 L CA 1.347 56.187 54.840 -0.000 0.000 0.745 90 L CB -2.029 40.049 42.059 0.031 0.000 0.894 90 L HN 0.217 nan 8.230 nan 0.000 0.432 91 P HA -0.123 nan 4.420 nan 0.000 0.214 91 P C -1.291 175.971 177.300 -0.064 0.000 1.163 91 P CA 1.633 64.707 63.100 -0.045 0.000 0.889 91 P CB -1.153 30.525 31.700 -0.037 0.000 0.790 92 P HA -0.096 nan 4.420 nan 0.000 0.216 92 P C 1.582 178.827 177.300 -0.092 0.000 1.150 92 P CA 1.206 64.247 63.100 -0.099 0.000 0.837 92 P CB -0.421 31.205 31.700 -0.124 0.000 0.786 93 L N -0.903 120.272 121.223 -0.080 0.000 2.240 93 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 93 L C 2.554 179.374 176.870 -0.083 0.000 1.106 93 L CA 1.046 55.842 54.840 -0.074 0.000 0.793 93 L CB -0.550 41.476 42.059 -0.054 0.000 0.927 93 L HN 0.026 nan 8.230 nan 0.000 0.446 94 E N -0.217 119.929 120.200 -0.090 0.000 2.031 94 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 94 E C 2.303 178.854 176.600 -0.082 0.000 0.994 94 E CA 1.561 57.900 56.400 -0.101 0.000 0.800 94 E CB 0.018 29.659 29.700 -0.098 0.000 0.752 94 E HN 0.249 nan 8.360 nan 0.000 0.447 95 S N 0.027 115.685 115.700 -0.071 0.000 2.370 95 S HA -0.125 4.345 4.470 -0.000 0.000 0.226 95 S C 1.989 176.552 174.600 -0.062 0.000 1.033 95 S CA 1.024 59.188 58.200 -0.060 0.000 1.011 95 S CB -0.290 62.875 63.200 -0.059 0.000 0.852 95 S HN 0.362 nan 8.310 nan 0.000 0.457 96 L N 0.670 121.852 121.223 -0.069 0.000 2.275 96 L HA -0.024 4.316 4.340 -0.000 0.000 0.215 96 L C 2.636 179.471 176.870 -0.059 0.000 1.119 96 L CA 1.025 55.826 54.840 -0.064 0.000 0.790 96 L CB -0.552 41.466 42.059 -0.068 0.000 0.919 96 L HN 0.436 nan 8.230 nan 0.000 0.443 97 A N -1.690 121.089 122.820 -0.068 0.000 2.123 97 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 97 A C 2.147 179.688 177.584 -0.071 0.000 1.152 97 A CA 1.442 53.437 52.037 -0.069 0.000 0.728 97 A CB -0.279 18.668 19.000 -0.089 0.000 0.814 97 A HN 0.264 nan 8.150 nan 0.000 0.464 98 T N -0.465 114.045 114.554 -0.072 0.000 3.105 98 T HA 0.297 4.647 4.350 -0.000 0.000 0.253 98 T C 0.244 174.893 174.700 -0.084 0.000 1.047 98 T CA -0.034 62.019 62.100 -0.079 0.000 0.944 98 T CB -0.622 68.206 68.868 -0.066 0.000 1.016 98 T HN 0.011 nan 8.240 nan 0.000 0.544 99 V N 2.685 122.557 119.914 -0.071 0.000 2.843 99 V HA 0.098 4.218 4.120 -0.000 0.000 0.305 99 V C 1.609 177.651 176.094 -0.087 0.000 1.065 99 V CA -0.132 62.129 62.300 -0.064 0.000 1.116 99 V CB 1.157 32.954 31.823 -0.043 0.000 0.968 99 V HN 0.449 nan 8.190 nan 0.000 0.487 100 E N 1.909 122.057 120.200 -0.086 0.000 2.007 100 E HA -0.162 4.188 4.350 -0.000 0.000 0.203 100 E C 1.014 177.579 176.600 -0.057 0.000 1.020 100 E CA 0.955 57.296 56.400 -0.098 0.000 0.845 100 E CB -0.168 29.492 29.700 -0.066 0.000 0.779 100 E HN 0.665 nan 8.360 nan 0.000 0.466 101 E N 1.086 121.270 120.200 -0.027 0.000 2.415 101 E HA -0.044 4.306 4.350 -0.000 0.000 0.263 101 E C 1.050 177.650 176.600 0.001 0.000 0.995 101 E CA 0.316 56.714 56.400 -0.003 0.000 0.915 101 E CB 0.951 30.650 29.700 -0.001 0.000 0.951 101 E HN 0.253 nan 8.360 nan 0.000 0.449 102 T N 0.117 114.684 114.554 0.022 0.000 2.962 102 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 102 T C 1.796 176.508 174.700 0.021 0.000 1.088 102 T CA 1.001 63.119 62.100 0.029 0.000 1.127 102 T CB -0.059 68.840 68.868 0.051 0.000 0.883 102 T HN 0.234 nan 8.240 nan 0.000 0.493 103 V N 1.226 121.151 119.914 0.017 0.000 2.307 103 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 103 V C 2.872 178.972 176.094 0.009 0.000 1.045 103 V CA 1.204 63.513 62.300 0.016 0.000 1.024 103 V CB -0.917 30.915 31.823 0.015 0.000 0.651 103 V HN 0.366 nan 8.190 nan 0.000 0.449 104 V N 1.565 121.480 119.914 0.001 0.000 2.233 104 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 104 V C 2.766 178.853 176.094 -0.011 0.000 1.050 104 V CA 2.824 65.119 62.300 -0.009 0.000 1.010 104 V CB -0.863 30.950 31.823 -0.017 0.000 0.637 104 V HN 0.723 nan 8.190 nan 0.000 0.444 105 R N 0.051 120.544 120.500 -0.013 0.000 2.115 105 R HA -0.136 4.204 4.340 -0.000 0.000 0.226 105 R C 1.944 178.243 176.300 -0.001 0.000 1.100 105 R CA 1.845 57.935 56.100 -0.017 0.000 0.980 105 R CB -0.736 29.547 30.300 -0.029 0.000 0.875 105 R HN 0.478 nan 8.270 nan 0.000 0.445 106 D N 0.736 121.143 120.400 0.012 0.000 2.219 106 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 106 D C 1.473 177.788 176.300 0.025 0.000 0.970 106 D CA 0.830 54.844 54.000 0.024 0.000 0.851 106 D CB 0.216 41.036 40.800 0.032 0.000 0.943 106 D HN 0.118 nan 8.370 nan 0.000 0.488 107 K N 0.794 121.204 120.400 0.017 0.000 2.021 107 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 107 K C 2.048 178.657 176.600 0.015 0.000 1.047 107 K CA 0.878 57.176 56.287 0.018 0.000 0.943 107 K CB -0.549 31.957 32.500 0.011 0.000 0.725 107 K HN 0.020 nan 8.250 nan 0.000 0.439 108 A N 1.014 123.834 122.820 -0.001 0.000 1.927 108 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 108 A C 2.455 180.039 177.584 0.000 0.000 1.185 108 A CA 2.158 54.188 52.037 -0.011 0.000 0.639 108 A CB -0.851 18.130 19.000 -0.031 0.000 0.820 108 A HN 0.126 nan 8.150 nan 0.000 0.451 109 V N -0.295 119.622 119.914 0.006 0.000 2.295 109 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 109 V C 2.599 178.726 176.094 0.055 0.000 1.049 109 V CA 2.449 64.761 62.300 0.020 0.000 1.024 109 V CB -0.685 31.151 31.823 0.021 0.000 0.648 109 V HN 0.727 nan 8.190 nan 0.000 0.447 110 E N 0.438 120.671 120.200 0.055 0.000 2.160 110 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 110 E C 2.247 178.897 176.600 0.082 0.000 0.991 110 E CA 1.725 58.168 56.400 0.071 0.000 0.810 110 E CB -0.288 29.448 29.700 0.059 0.000 0.742 110 E HN 0.602 nan 8.360 nan 0.000 0.466 111 S N -0.228 115.512 115.700 0.067 0.000 2.355 111 S HA -0.075 4.395 4.470 -0.000 0.000 0.222 111 S C 1.899 176.566 174.600 0.111 0.000 1.031 111 S CA 0.984 59.229 58.200 0.075 0.000 0.993 111 S CB -0.286 62.939 63.200 0.042 0.000 0.859 111 S HN 0.228 nan 8.310 nan 0.000 0.453 112 L N 1.053 122.339 121.223 0.106 0.000 2.083 112 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 112 L C 2.688 179.720 176.870 0.269 0.000 1.083 112 L CA 1.160 56.104 54.840 0.173 0.000 0.752 112 L CB -0.284 41.815 42.059 0.067 0.000 0.899 112 L HN 0.185 nan 8.230 nan 0.000 0.433 113 R N -0.642 119.973 120.500 0.192 0.000 2.073 113 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 113 R C 2.384 178.794 176.300 0.182 0.000 1.134 113 R CA 1.396 57.597 56.100 0.168 0.000 0.952 113 R CB -0.496 29.892 30.300 0.148 0.000 0.850 113 R HN 0.373 nan 8.270 nan 0.000 0.433 114 A N 1.456 124.395 122.820 0.198 0.000 1.933 114 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 114 A C 2.103 179.845 177.584 0.263 0.000 1.175 114 A CA 1.491 53.667 52.037 0.231 0.000 0.628 114 A CB -0.577 18.512 19.000 0.148 0.000 0.814 114 A HN 0.509 nan 8.150 nan 0.000 0.444 115 I N -1.787 118.916 120.570 0.222 0.000 3.578 115 I HA -0.002 4.168 4.170 -0.000 0.000 0.295 115 I C 1.961 178.251 176.117 0.288 0.000 1.280 115 I CA 1.165 62.618 61.300 0.255 0.000 1.347 115 I CB -0.166 37.997 38.000 0.272 0.000 1.051 115 I HN 0.231 nan 8.210 nan 0.000 0.460 116 S N 0.756 116.449 115.700 -0.010 0.000 2.368 116 S HA -0.190 4.280 4.470 -0.000 0.000 0.224 116 S C 1.958 176.371 174.600 -0.312 0.000 1.029 116 S CA 1.082 58.965 58.200 -0.529 0.000 0.988 116 S CB -1.032 61.444 63.200 -1.207 0.000 0.838 116 S HN 0.578 nan 8.310 nan 0.000 0.462 117 H N 1.379 120.408 119.070 -0.069 0.000 2.319 117 H HA 0.058 4.614 4.556 -0.000 0.000 0.299 117 H C 0.986 176.335 175.328 0.034 0.000 1.092 117 H CA 1.687 57.720 56.048 -0.026 0.000 1.302 117 H CB -0.394 29.363 29.762 -0.008 0.000 1.373 117 H HN 0.452 nan 8.280 nan 0.000 0.497 118 E N 1.206 121.531 120.200 0.208 0.000 2.110 118 E HA 0.074 4.424 4.350 -0.000 0.000 0.300 118 E C 0.072 176.753 176.600 0.136 0.000 1.278 118 E CA -0.062 56.419 56.400 0.137 0.000 1.365 118 E CB -0.390 29.369 29.700 0.098 0.000 1.283 118 E HN 0.395 nan 8.360 nan 0.000 0.490 119 H N -0.308 118.767 119.070 0.009 0.000 4.854 119 H HA 0.561 5.117 4.556 -0.000 0.000 0.255 119 H C -0.446 174.884 175.328 0.003 0.000 1.334 119 H CA -0.735 55.324 56.048 0.018 0.000 0.630 119 H CB 1.418 31.184 29.762 0.007 0.000 1.417 119 H HN 0.136 nan 8.280 nan 0.000 0.481 120 S N -0.093 115.709 115.700 0.169 0.000 2.542 120 S HA 0.144 4.614 4.470 -0.000 0.000 0.276 120 S C -2.181 172.445 174.600 0.043 0.000 1.148 120 S CA -0.759 57.481 58.200 0.067 0.000 0.886 120 S CB 2.179 65.401 63.200 0.038 0.000 1.109 120 S HN 0.240 nan 8.310 nan 0.000 0.458 121 P HA -0.189 nan 4.420 nan 0.000 0.220 121 P C 1.217 178.511 177.300 -0.010 0.000 1.155 121 P CA 1.733 64.825 63.100 -0.015 0.000 0.880 121 P CB -0.013 31.676 31.700 -0.019 0.000 0.790 122 S N -2.802 112.897 115.700 -0.002 0.000 2.562 122 S HA 0.009 4.479 4.470 -0.000 0.000 0.221 122 S C 1.497 176.098 174.600 0.003 0.000 0.975 122 S CA 0.500 58.694 58.200 -0.009 0.000 0.918 122 S CB -0.484 62.707 63.200 -0.015 0.000 0.772 122 S HN 0.069 nan 8.310 nan 0.000 0.531 123 D N 0.975 121.405 120.400 0.051 0.000 2.277 123 D HA 0.192 4.832 4.640 -0.000 0.000 0.209 123 D C 1.635 178.035 176.300 0.166 0.000 0.970 123 D CA 0.171 54.250 54.000 0.132 0.000 0.874 123 D CB -0.042 40.888 40.800 0.217 0.000 0.982 123 D HN 0.194 nan 8.370 nan 0.000 0.504 124 L N 1.624 122.898 121.223 0.085 0.000 1.989 124 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 124 L C 2.201 179.102 176.870 0.052 0.000 1.071 124 L CA 1.619 56.478 54.840 0.031 0.000 0.749 124 L CB -0.708 41.308 42.059 -0.072 0.000 0.890 124 L HN 0.034 nan 8.230 nan 0.000 0.431 125 E N -1.184 119.021 120.200 0.009 0.000 2.130 125 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 125 E C 1.900 178.472 176.600 -0.046 0.000 0.998 125 E CA 1.300 57.694 56.400 -0.010 0.000 0.806 125 E CB -0.090 29.595 29.700 -0.025 0.000 0.738 125 E HN 0.521 nan 8.360 nan 0.000 0.459 126 A N -0.666 122.092 122.820 -0.103 0.000 2.220 126 A HA 0.017 4.337 4.320 -0.000 0.000 0.211 126 A C 1.257 178.546 177.584 -0.491 0.000 1.176 126 A CA 0.413 52.274 52.037 -0.293 0.000 0.834 126 A CB 0.181 18.955 19.000 -0.378 0.000 0.868 126 A HN 0.186 nan 8.150 nan 0.000 0.488 127 H N -3.596 115.489 119.070 0.026 0.000 1.855 127 H HA 0.156 4.712 4.556 -0.000 0.000 0.178 127 H C 1.461 176.814 175.328 0.041 0.000 0.923 127 H CA 0.537 56.615 56.048 0.049 0.000 0.993 127 H CB -0.554 29.273 29.762 0.108 0.000 1.078 127 H HN 0.386 nan 8.280 nan 0.000 0.349 128 F N 2.158 122.129 119.950 0.034 0.000 2.102 128 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 128 F C 2.241 177.973 175.800 -0.113 0.000 1.105 128 F CA 1.299 59.232 58.000 -0.112 0.000 1.239 128 F CB -0.194 38.629 39.000 -0.295 0.000 0.991 128 F HN -0.154 nan 8.300 nan 0.000 0.474 129 V N 1.939 121.947 119.914 0.156 0.000 2.295 129 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 129 V C -0.579 175.459 176.094 -0.092 0.000 1.049 129 V CA 2.251 64.585 62.300 0.056 0.000 1.024 129 V CB -1.931 29.945 31.823 0.087 0.000 0.648 129 V HN 0.257 nan 8.190 nan 0.000 0.447 130 P HA -0.131 nan 4.420 nan 0.000 0.222 130 P C 1.969 179.178 177.300 -0.152 0.000 1.147 130 P CA 1.059 64.100 63.100 -0.098 0.000 0.790 130 P CB -0.075 31.598 31.700 -0.045 0.000 0.780 131 L N 0.429 121.538 121.223 -0.190 0.000 2.017 131 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 131 L C 2.159 178.822 176.870 -0.345 0.000 1.073 131 L CA 1.942 56.620 54.840 -0.269 0.000 0.745 131 L CB -1.340 40.486 42.059 -0.388 0.000 0.894 131 L HN -0.123 nan 8.230 nan 0.000 0.432 132 V N 0.741 120.395 119.914 -0.434 0.000 2.295 132 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 132 V C 2.680 178.489 176.094 -0.474 0.000 1.049 132 V CA 1.918 63.925 62.300 -0.489 0.000 1.024 132 V CB -0.636 30.850 31.823 -0.562 0.000 0.648 132 V HN 0.450 nan 8.190 nan 0.000 0.447 133 K N -0.332 119.758 120.400 -0.517 0.000 2.173 133 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 133 K C 2.312 178.719 176.600 -0.322 0.000 1.046 133 K CA 1.613 57.477 56.287 -0.705 0.000 0.929 133 K CB -0.208 32.020 32.500 -0.454 0.000 0.720 133 K HN 0.446 nan 8.250 nan 0.000 0.453 134 R N -0.020 120.355 120.500 -0.209 0.000 2.156 134 R HA 0.122 4.462 4.340 -0.000 0.000 0.207 134 R C 2.324 178.561 176.300 -0.105 0.000 1.040 134 R CA 0.216 56.251 56.100 -0.109 0.000 1.013 134 R CB -0.024 30.223 30.300 -0.088 0.000 0.931 134 R HN 0.103 nan 8.270 nan 0.000 0.465 135 L N 0.338 121.468 121.223 -0.155 0.000 2.027 135 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 135 L C 2.484 179.299 176.870 -0.092 0.000 1.074 135 L CA 1.365 56.126 54.840 -0.133 0.000 0.745 135 L CB -0.358 41.591 42.059 -0.183 0.000 0.898 135 L HN 0.223 nan 8.230 nan 0.000 0.433 136 A N -0.440 122.313 122.820 -0.111 0.000 2.014 136 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 136 A C 2.035 179.655 177.584 0.061 0.000 1.163 136 A CA 1.248 53.288 52.037 0.005 0.000 0.652 136 A CB -0.806 18.241 19.000 0.077 0.000 0.808 136 A HN 0.440 nan 8.150 nan 0.000 0.449 137 G N 0.131 108.950 108.800 0.032 0.000 3.210 137 G HA2 0.389 4.349 3.960 -0.000 0.000 0.220 137 G HA3 0.389 4.349 3.960 -0.000 0.000 0.220 137 G C 0.755 175.657 174.900 0.002 0.000 1.200 137 G CA 0.325 45.466 45.100 0.068 0.000 0.834 137 G HN 0.685 nan 8.290 nan 0.000 0.524 138 G N -0.279 108.510 108.800 -0.017 0.000 2.647 138 G HA2 0.121 4.081 3.960 -0.000 0.000 0.234 138 G HA3 0.121 4.081 3.960 -0.000 0.000 0.234 138 G C 0.529 175.401 174.900 -0.047 0.000 1.252 138 G CA -0.117 44.966 45.100 -0.029 0.000 0.846 138 G HN 0.111 nan 8.290 nan 0.000 0.589 139 D N -0.764 119.623 120.400 -0.021 0.000 2.137 139 D HA 0.029 4.669 4.640 -0.000 0.000 0.202 139 D C 0.358 176.660 176.300 0.003 0.000 0.970 139 D CA 0.686 54.675 54.000 -0.019 0.000 0.837 139 D CB 0.250 41.076 40.800 0.043 0.000 0.981 139 D HN 0.354 nan 8.370 nan 0.000 0.475 140 W N -0.742 120.543 121.300 -0.025 0.000 3.039 140 W HA 0.112 4.772 4.660 -0.000 0.000 0.354 140 W C 0.750 177.234 176.519 -0.058 0.000 1.206 140 W CA -0.824 56.520 57.345 -0.001 0.000 1.134 140 W CB -0.014 29.459 29.460 0.022 0.000 1.493 140 W HN -0.168 nan 8.180 nan 0.000 0.591 141 F N 0.095 120.359 119.950 0.523 0.000 2.202 141 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 141 F C 1.969 177.855 175.800 0.143 0.000 1.082 141 F CA 2.425 60.591 58.000 0.277 0.000 1.313 141 F CB -1.518 37.672 39.000 0.316 0.000 1.024 141 F HN 0.119 nan 8.300 nan 0.000 0.495 142 T N -2.006 112.093 114.554 -0.759 0.000 2.759 142 T HA -0.191 4.159 4.350 -0.000 0.000 0.269 142 T C 1.946 176.550 174.700 -0.160 0.000 1.042 142 T CA 1.502 63.304 62.100 -0.497 0.000 1.140 142 T CB -1.080 67.454 68.868 -0.557 0.000 0.864 142 T HN 0.414 nan 8.240 nan 0.000 0.455 143 S N 1.857 117.489 115.700 -0.113 0.000 2.344 143 S HA -0.053 4.417 4.470 -0.000 0.000 0.217 143 S C 2.258 176.845 174.600 -0.021 0.000 1.033 143 S CA 1.264 59.429 58.200 -0.059 0.000 1.017 143 S CB -0.384 62.788 63.200 -0.046 0.000 0.941 143 S HN 0.439 nan 8.310 nan 0.000 0.430 144 R N 1.007 121.521 120.500 0.023 0.000 2.103 144 R HA -0.111 4.229 4.340 -0.000 0.000 0.242 144 R C 2.723 179.067 176.300 0.074 0.000 1.142 144 R CA 1.888 58.020 56.100 0.053 0.000 0.960 144 R CB -1.080 29.267 30.300 0.078 0.000 0.858 144 R HN 0.689 nan 8.270 nan 0.000 0.439 145 T N -2.451 112.168 114.554 0.110 0.000 2.833 145 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 145 T C 2.010 176.755 174.700 0.075 0.000 1.054 145 T CA 1.582 63.752 62.100 0.118 0.000 1.135 145 T CB -0.212 68.760 68.868 0.172 0.000 0.869 145 T HN 0.046 nan 8.240 nan 0.000 0.466 146 S N 1.871 117.592 115.700 0.035 0.000 2.335 146 S HA 0.192 4.662 4.470 -0.000 0.000 0.217 146 S C 2.710 177.299 174.600 -0.018 0.000 1.032 146 S CA 0.851 59.052 58.200 0.003 0.000 0.985 146 S CB -0.959 62.221 63.200 -0.033 0.000 0.896 146 S HN 0.740 nan 8.310 nan 0.000 0.445 147 A N 0.852 123.636 122.820 -0.060 0.000 1.958 147 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 147 A C 2.355 179.888 177.584 -0.084 0.000 1.178 147 A CA 1.822 53.762 52.037 -0.161 0.000 0.642 147 A CB -1.563 17.317 19.000 -0.200 0.000 0.816 147 A HN 0.642 nan 8.150 nan 0.000 0.453 148 C N -1.190 118.185 119.300 0.126 0.000 2.398 148 C HA -0.126 4.334 4.460 -0.000 0.000 0.279 148 C C 2.878 178.042 174.990 0.291 0.000 1.250 148 C CA 0.734 59.943 59.018 0.318 0.000 1.786 148 C CB -1.782 26.082 27.740 0.207 0.000 2.018 148 C HN 0.738 nan 8.230 nan 0.000 0.494 149 G N 0.373 109.258 108.800 0.143 0.000 2.394 149 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.214 149 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.214 149 G C 1.291 176.256 174.900 0.109 0.000 1.176 149 G CA 0.304 45.479 45.100 0.124 0.000 0.786 149 G HN 0.566 nan 8.290 nan 0.000 0.533 150 L N -0.029 121.205 121.223 0.019 0.000 2.700 150 L HA 0.177 4.517 4.340 -0.000 0.000 0.240 150 L C 2.122 179.014 176.870 0.038 0.000 1.162 150 L CA -0.059 54.806 54.840 0.042 0.000 0.874 150 L CB -0.405 41.622 42.059 -0.052 0.000 1.001 150 L HN 0.123 nan 8.230 nan 0.000 0.447 151 F N 0.127 120.124 119.950 0.078 0.000 2.219 151 F HA -0.161 4.366 4.527 -0.000 0.000 0.294 151 F C 2.838 178.751 175.800 0.190 0.000 1.086 151 F CA 1.213 59.235 58.000 0.036 0.000 1.330 151 F CB -0.072 38.700 39.000 -0.379 0.000 1.047 151 F HN 0.146 nan 8.300 nan 0.000 0.495 152 S N 0.121 116.035 115.700 0.358 0.000 2.402 152 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 152 S C 1.999 176.722 174.600 0.205 0.000 1.021 152 S CA 1.269 59.661 58.200 0.320 0.000 0.974 152 S CB -1.292 62.039 63.200 0.219 0.000 0.800 152 S HN 0.276 nan 8.310 nan 0.000 0.484 153 V N 1.365 121.344 119.914 0.108 0.000 2.346 153 V HA -0.088 4.032 4.120 -0.000 0.000 0.244 153 V C 2.802 178.806 176.094 -0.149 0.000 1.037 153 V CA 1.036 63.292 62.300 -0.074 0.000 1.029 153 V CB -1.983 29.678 31.823 -0.271 0.000 0.663 153 V HN 0.819 nan 8.190 nan 0.000 0.454 154 C N -1.757 117.475 119.300 -0.114 0.000 2.539 154 C HA 0.133 4.593 4.460 -0.000 0.000 0.268 154 C C 2.486 177.511 174.990 0.059 0.000 1.395 154 C CA 0.153 59.084 59.018 -0.145 0.000 1.757 154 C CB -1.944 25.719 27.740 -0.128 0.000 1.851 154 C HN 0.596 nan 8.230 nan 0.000 0.545 155 Y N 3.863 124.208 120.300 0.074 0.000 2.089 155 Y HA 0.025 4.575 4.550 -0.000 0.000 0.282 155 Y C -0.051 175.861 175.900 0.020 0.000 1.139 155 Y CA 2.167 60.330 58.100 0.104 0.000 1.123 155 Y CB -1.283 37.272 38.460 0.159 0.000 0.980 155 Y HN 0.201 nan 8.280 nan 0.000 0.493 156 P HA -0.113 nan 4.420 nan 0.000 0.225 156 P C 0.956 178.211 177.300 -0.075 0.000 1.148 156 P CA 1.663 64.764 63.100 0.001 0.000 0.779 156 P CB -0.008 31.728 31.700 0.060 0.000 0.780 157 R N -0.172 120.283 120.500 -0.075 0.000 2.189 157 R HA 0.079 4.419 4.340 -0.000 0.000 0.203 157 R C 1.267 177.515 176.300 -0.088 0.000 1.012 157 R CA 0.159 56.215 56.100 -0.073 0.000 1.015 157 R CB -0.236 30.023 30.300 -0.069 0.000 0.938 157 R HN 0.143 nan 8.270 nan 0.000 0.472 158 V N -1.724 118.121 119.914 -0.115 0.000 3.641 158 V HA 0.233 4.353 4.120 -0.000 0.000 0.286 158 V C 0.602 176.624 176.094 -0.119 0.000 1.027 158 V CA -1.026 61.214 62.300 -0.100 0.000 1.032 158 V CB 1.179 32.958 31.823 -0.074 0.000 1.238 158 V HN 0.083 nan 8.190 nan 0.000 0.439 159 S N 0.230 115.879 115.700 -0.086 0.000 2.579 159 S HA 0.089 4.559 4.470 -0.000 0.000 0.275 159 S C 1.428 175.963 174.600 -0.108 0.000 1.345 159 S CA 0.140 58.294 58.200 -0.077 0.000 1.031 159 S CB 0.707 63.881 63.200 -0.043 0.000 0.892 159 S HN 1.700 nan 8.310 nan 0.000 0.529 160 S N 3.227 118.872 115.700 -0.092 0.000 2.507 160 S HA 0.033 4.503 4.470 -0.000 0.000 0.235 160 S C 1.685 176.260 174.600 -0.042 0.000 0.988 160 S CA 0.533 58.679 58.200 -0.089 0.000 0.944 160 S CB -0.548 62.616 63.200 -0.059 0.000 0.762 160 S HN 0.918 nan 8.310 nan 0.000 0.526 161 A N 1.236 124.041 122.820 -0.025 0.000 1.935 161 A HA 0.300 4.620 4.320 -0.000 0.000 0.214 161 A C 2.237 179.839 177.584 0.029 0.000 1.178 161 A CA 0.945 52.986 52.037 0.005 0.000 0.640 161 A CB -0.681 18.322 19.000 0.005 0.000 0.825 161 A HN 0.418 nan 8.150 nan 0.000 0.447 162 V N 0.323 120.249 119.914 0.019 0.000 2.548 162 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 162 V C 2.318 178.464 176.094 0.087 0.000 1.055 162 V CA 1.879 64.216 62.300 0.062 0.000 1.065 162 V CB -0.579 31.270 31.823 0.043 0.000 0.681 162 V HN 0.488 nan 8.190 nan 0.000 0.462 163 K N 0.494 120.873 120.400 -0.035 0.000 2.074 163 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 163 K C 2.251 178.985 176.600 0.223 0.000 1.048 163 K CA 1.687 57.924 56.287 -0.083 0.000 0.926 163 K CB -0.379 31.895 32.500 -0.376 0.000 0.713 163 K HN 0.488 nan 8.250 nan 0.000 0.444 164 A N 1.059 123.958 122.820 0.132 0.000 2.015 164 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 164 A C 1.848 179.528 177.584 0.159 0.000 1.163 164 A CA 1.393 53.513 52.037 0.139 0.000 0.646 164 A CB -0.249 18.797 19.000 0.077 0.000 0.806 164 A HN 0.302 nan 8.150 nan 0.000 0.448 165 E N -0.208 120.102 120.200 0.183 0.000 2.028 165 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 165 E C 1.939 178.776 176.600 0.395 0.000 0.984 165 E CA 0.949 57.486 56.400 0.228 0.000 0.800 165 E CB -0.224 29.632 29.700 0.260 0.000 0.758 165 E HN 0.590 nan 8.360 nan 0.000 0.448 166 L N 0.698 122.215 121.223 0.490 0.000 2.042 166 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 166 L C 2.572 179.718 176.870 0.459 0.000 1.076 166 L CA 1.278 56.508 54.840 0.649 0.000 0.749 166 L CB -0.427 42.072 42.059 0.732 0.000 0.893 166 L HN 0.106 nan 8.230 nan 0.000 0.432 167 R N -0.656 120.096 120.500 0.420 0.000 2.105 167 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 167 R C 2.336 178.749 176.300 0.189 0.000 1.135 167 R CA 1.195 57.480 56.100 0.309 0.000 0.967 167 R CB -0.359 30.092 30.300 0.251 0.000 0.861 167 R HN 0.408 nan 8.270 nan 0.000 0.442 168 Q N 0.039 119.922 119.800 0.138 0.000 2.084 168 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 168 Q C 1.874 177.861 176.000 -0.021 0.000 0.978 168 Q CA 1.684 57.495 55.803 0.012 0.000 0.844 168 Q CB -0.176 28.513 28.738 -0.082 0.000 0.898 168 Q HN 0.458 nan 8.270 nan 0.000 0.426 169 Y N -0.950 119.410 120.300 0.100 0.000 2.181 169 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 169 Y C 2.100 177.990 175.900 -0.017 0.000 1.146 169 Y CA 1.347 59.525 58.100 0.129 0.000 1.164 169 Y CB -0.385 38.295 38.460 0.367 0.000 0.982 169 Y HN 0.129 nan 8.280 nan 0.000 0.515 170 F N 0.713 120.451 119.950 -0.353 0.000 2.234 170 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 170 F C 2.590 178.231 175.800 -0.264 0.000 1.087 170 F CA 1.317 58.900 58.000 -0.695 0.000 1.340 170 F CB -0.277 37.922 39.000 -1.336 0.000 1.031 170 F HN -0.157 nan 8.300 nan 0.000 0.500 171 R N 0.583 121.051 120.500 -0.054 0.000 2.096 171 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 171 R C 1.751 177.978 176.300 -0.122 0.000 1.127 171 R CA 1.985 58.048 56.100 -0.062 0.000 0.968 171 R CB -0.666 29.640 30.300 0.010 0.000 0.861 171 R HN 0.437 nan 8.270 nan 0.000 0.440 172 N N -0.157 118.486 118.700 -0.094 0.000 2.459 172 N HA -0.065 4.675 4.740 -0.000 0.000 0.181 172 N C 1.517 176.970 175.510 -0.095 0.000 1.046 172 N CA 0.445 53.451 53.050 -0.073 0.000 0.904 172 N CB 0.151 38.621 38.487 -0.027 0.000 0.964 172 N HN 0.233 nan 8.380 nan 0.000 0.444 173 L N -0.333 120.785 121.223 -0.175 0.000 2.298 173 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 173 L C 1.931 178.652 176.870 -0.249 0.000 1.084 173 L CA 0.342 55.070 54.840 -0.187 0.000 0.816 173 L CB -0.089 41.851 42.059 -0.199 0.000 0.967 173 L HN 0.272 nan 8.230 nan 0.000 0.460 174 C N -0.107 118.976 119.300 -0.362 0.000 2.432 174 C HA -0.081 4.379 4.460 -0.000 0.000 0.282 174 C C 2.609 177.511 174.990 -0.148 0.000 1.388 174 C CA 1.143 59.996 59.018 -0.275 0.000 1.777 174 C CB -0.917 26.655 27.740 -0.280 0.000 1.882 174 C HN 0.634 nan 8.230 nan 0.000 0.520 175 S N -0.842 114.782 115.700 -0.127 0.000 2.568 175 S HA 0.104 4.574 4.470 -0.000 0.000 0.232 175 S C -0.227 174.331 174.600 -0.071 0.000 0.975 175 S CA -0.272 57.878 58.200 -0.084 0.000 0.949 175 S CB -0.444 62.714 63.200 -0.072 0.000 0.829 175 S HN 0.603 nan 8.310 nan 0.000 0.479 176 D N 2.131 122.486 120.400 -0.075 0.000 2.525 176 D HA -0.000 4.640 4.640 -0.000 0.000 0.235 176 D C 0.988 177.264 176.300 -0.040 0.000 1.137 176 D CA 0.299 54.267 54.000 -0.054 0.000 0.868 176 D CB 0.502 41.280 40.800 -0.038 0.000 1.180 176 D HN 0.029 nan 8.370 nan 0.000 0.465 177 D N 1.556 121.931 120.400 -0.042 0.000 2.271 177 D HA -0.147 4.493 4.640 -0.000 0.000 0.207 177 D C 0.219 176.520 176.300 0.002 0.000 0.983 177 D CA 0.892 54.876 54.000 -0.027 0.000 0.878 177 D CB 0.258 41.032 40.800 -0.044 0.000 0.920 177 D HN 0.286 nan 8.370 nan 0.000 0.479 178 T N -0.871 113.693 114.554 0.016 0.000 2.855 178 T HA 0.350 4.700 4.350 -0.000 0.000 0.281 178 T C -2.113 172.579 174.700 -0.013 0.000 1.007 178 T CA -1.986 60.130 62.100 0.026 0.000 1.009 178 T CB 2.049 70.976 68.868 0.097 0.000 0.983 178 T HN -0.240 nan 8.240 nan 0.000 0.455 179 P HA 0.054 nan 4.420 nan 0.000 0.226 179 P C 1.234 178.502 177.300 -0.055 0.000 1.153 179 P CA 0.729 63.799 63.100 -0.049 0.000 0.777 179 P CB 0.076 31.741 31.700 -0.058 0.000 0.794 180 M N -1.233 118.317 119.600 -0.084 0.000 2.077 180 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 180 M C 2.028 178.337 176.300 0.015 0.000 1.070 180 M CA 1.732 56.982 55.300 -0.084 0.000 1.125 180 M CB -1.514 30.924 32.600 -0.270 0.000 1.339 180 M HN -0.255 nan 8.290 nan 0.000 0.409 181 V N 0.132 120.078 119.914 0.053 0.000 2.237 181 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 181 V C 2.402 178.501 176.094 0.008 0.000 1.046 181 V CA 1.885 64.225 62.300 0.067 0.000 1.007 181 V CB -0.782 31.084 31.823 0.072 0.000 0.638 181 V HN 0.405 nan 8.190 nan 0.000 0.445 182 R N -0.249 120.238 120.500 -0.021 0.000 2.113 182 R HA -0.242 4.098 4.340 -0.000 0.000 0.244 182 R C 2.517 178.800 176.300 -0.029 0.000 1.142 182 R CA 1.988 58.059 56.100 -0.048 0.000 0.953 182 R CB -0.516 29.754 30.300 -0.049 0.000 0.860 182 R HN 0.476 nan 8.270 nan 0.000 0.438 183 R N 0.054 120.546 120.500 -0.013 0.000 2.103 183 R HA -0.163 4.177 4.340 -0.000 0.000 0.242 183 R C 2.374 178.690 176.300 0.026 0.000 1.142 183 R CA 1.643 57.744 56.100 0.002 0.000 0.960 183 R CB -0.373 29.926 30.300 -0.002 0.000 0.858 183 R HN 0.270 nan 8.270 nan 0.000 0.439 184 A N 0.842 123.684 122.820 0.036 0.000 1.855 184 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 184 A C 2.358 179.980 177.584 0.064 0.000 1.191 184 A CA 1.619 53.694 52.037 0.063 0.000 0.613 184 A CB -0.776 18.272 19.000 0.080 0.000 0.829 184 A HN 0.419 nan 8.150 nan 0.000 0.442 185 A N -0.073 122.746 122.820 -0.002 0.000 1.908 185 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 185 A C 2.504 180.085 177.584 -0.005 0.000 1.181 185 A CA 2.381 54.351 52.037 -0.111 0.000 0.627 185 A CB -1.083 17.720 19.000 -0.328 0.000 0.818 185 A HN 1.140 nan 8.150 nan 0.000 0.445 186 A N -0.728 122.098 122.820 0.010 0.000 1.933 186 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 186 A C 2.492 180.149 177.584 0.122 0.000 1.175 186 A CA 2.274 54.350 52.037 0.066 0.000 0.628 186 A CB -0.938 18.084 19.000 0.036 0.000 0.814 186 A HN 0.674 nan 8.150 nan 0.000 0.444 187 S N -0.307 115.459 115.700 0.110 0.000 2.356 187 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 187 S C 1.498 176.191 174.600 0.154 0.000 1.032 187 S CA 1.454 59.725 58.200 0.119 0.000 1.005 187 S CB -0.223 63.036 63.200 0.099 0.000 0.867 187 S HN 0.428 nan 8.310 nan 0.000 0.449 188 K N 1.414 121.937 120.400 0.204 0.000 2.504 188 K HA 0.225 4.545 4.320 -0.000 0.000 0.199 188 K C 1.393 178.154 176.600 0.268 0.000 1.028 188 K CA -0.081 56.340 56.287 0.223 0.000 1.164 188 K CB -0.460 32.187 32.500 0.245 0.000 0.877 188 K HN 0.381 nan 8.250 nan 0.000 0.508 189 L N 0.661 122.072 121.223 0.314 0.000 2.027 189 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 189 L C 2.012 178.982 176.870 0.167 0.000 1.074 189 L CA 1.905 56.946 54.840 0.335 0.000 0.745 189 L CB -0.776 41.477 42.059 0.324 0.000 0.898 189 L HN 0.267 nan 8.230 nan 0.000 0.433 190 G N -1.289 107.581 108.800 0.118 0.000 2.433 190 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.216 190 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.216 190 G C 1.445 176.367 174.900 0.036 0.000 1.186 190 G CA 0.747 45.876 45.100 0.049 0.000 0.779 190 G HN 0.513 nan 8.290 nan 0.000 0.543 191 E N -0.823 119.419 120.200 0.070 0.000 2.169 191 E HA -0.237 4.113 4.350 -0.000 0.000 0.202 191 E C 2.029 178.669 176.600 0.067 0.000 1.016 191 E CA 1.256 57.700 56.400 0.073 0.000 0.817 191 E CB -0.219 29.545 29.700 0.106 0.000 0.736 191 E HN 0.432 nan 8.360 nan 0.000 0.462 192 F N 0.115 119.952 119.950 -0.188 0.000 2.220 192 F HA 0.203 4.730 4.527 0.000 0.000 0.290 192 F C 2.095 177.701 175.800 -0.324 0.000 1.080 192 F CA 1.051 58.831 58.000 -0.366 0.000 1.318 192 F CB -0.630 37.902 39.000 -0.780 0.000 1.063 192 F HN 0.022 nan 8.300 nan 0.000 0.498 193 A N -0.067 122.623 122.820 -0.217 0.000 2.024 193 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 193 A C 2.262 179.709 177.584 -0.228 0.000 1.164 193 A CA 1.586 53.469 52.037 -0.258 0.000 0.643 193 A CB -0.802 18.123 19.000 -0.126 0.000 0.806 193 A HN 0.397 nan 8.150 nan 0.000 0.451 194 K N -0.178 120.125 120.400 -0.160 0.000 2.288 194 K HA 0.013 4.333 4.320 -0.000 0.000 0.201 194 K C -0.041 176.481 176.600 -0.130 0.000 1.048 194 K CA 0.575 56.794 56.287 -0.113 0.000 0.956 194 K CB -0.053 32.414 32.500 -0.056 0.000 0.746 194 K HN 0.285 nan 8.250 nan 0.000 0.461 195 V N 5.114 124.899 119.914 -0.215 0.000 2.054 195 V HA 0.016 4.136 4.120 -0.000 0.000 0.243 195 V C 0.412 176.353 176.094 -0.256 0.000 1.480 195 V CA -0.272 61.903 62.300 -0.208 0.000 1.440 195 V CB -1.550 30.120 31.823 -0.255 0.000 1.489 195 V HN 0.236 nan 8.190 nan 0.000 0.502 196 L N 0.571 121.708 121.223 -0.144 0.000 2.685 196 L HA 0.084 4.424 4.340 -0.000 0.000 0.305 196 L C 0.085 176.908 176.870 -0.080 0.000 1.258 196 L CA 1.138 55.910 54.840 -0.113 0.000 0.876 196 L CB 0.142 42.164 42.059 -0.062 0.000 1.124 196 L HN 0.319 nan 8.230 nan 0.000 0.507 197 E N 3.845 123.991 120.200 -0.089 0.000 2.646 197 E HA 0.124 4.474 4.350 -0.000 0.000 0.336 197 E C 0.232 176.801 176.600 -0.053 0.000 1.027 197 E CA -0.437 55.940 56.400 -0.038 0.000 0.765 197 E CB 1.353 31.054 29.700 0.001 0.000 1.545 197 E HN 0.834 nan 8.360 nan 0.000 0.382 198 L N 2.753 123.948 121.223 -0.047 0.000 2.034 198 L HA -0.322 4.018 4.340 -0.000 0.000 0.217 198 L C 1.662 178.509 176.870 -0.038 0.000 1.077 198 L CA 3.067 57.879 54.840 -0.047 0.000 0.769 198 L CB -0.046 41.991 42.059 -0.037 0.000 0.890 198 L HN 0.443 nan 8.230 nan 0.000 0.435 199 D N -1.407 118.978 120.400 -0.026 0.000 2.104 199 D HA -0.266 4.374 4.640 -0.000 0.000 0.194 199 D C 1.694 177.983 176.300 -0.018 0.000 0.994 199 D CA 2.260 56.250 54.000 -0.017 0.000 0.830 199 D CB -1.072 39.723 40.800 -0.009 0.000 0.959 199 D HN 0.611 nan 8.370 nan 0.000 0.452 200 N N -0.328 118.357 118.700 -0.024 0.000 2.396 200 N HA -0.053 4.687 4.740 -0.000 0.000 0.180 200 N C 1.708 177.186 175.510 -0.053 0.000 1.028 200 N CA 0.594 53.626 53.050 -0.030 0.000 0.893 200 N CB 0.253 38.719 38.487 -0.034 0.000 0.967 200 N HN 0.055 nan 8.380 nan 0.000 0.440 201 V N 1.552 121.423 119.914 -0.071 0.000 2.358 201 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 201 V C 2.042 178.114 176.094 -0.037 0.000 1.047 201 V CA 1.605 63.860 62.300 -0.075 0.000 1.035 201 V CB -0.352 31.416 31.823 -0.092 0.000 0.658 201 V HN 0.264 nan 8.190 nan 0.000 0.452 202 K N 0.154 120.538 120.400 -0.027 0.000 2.062 202 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 202 K C 2.545 179.150 176.600 0.007 0.000 1.051 202 K CA 1.552 57.834 56.287 -0.008 0.000 0.941 202 K CB -0.356 32.139 32.500 -0.010 0.000 0.719 202 K HN 0.427 nan 8.250 nan 0.000 0.440 203 S N 0.898 116.600 115.700 0.004 0.000 2.345 203 S HA -0.146 4.324 4.470 -0.000 0.000 0.220 203 S C 1.654 176.269 174.600 0.025 0.000 1.031 203 S CA 1.453 59.661 58.200 0.013 0.000 0.996 203 S CB 0.085 63.291 63.200 0.010 0.000 0.882 203 S HN 0.280 nan 8.310 nan 0.000 0.445 204 E N -0.790 119.426 120.200 0.027 0.000 2.441 204 E HA 0.267 4.617 4.350 -0.000 0.000 0.212 204 E C 1.884 178.529 176.600 0.075 0.000 0.840 204 E CA -0.034 56.395 56.400 0.048 0.000 1.143 204 E CB 0.230 29.962 29.700 0.053 0.000 1.153 204 E HN 0.366 nan 8.360 nan 0.000 0.539 205 I N 1.548 122.153 120.570 0.059 0.000 2.233 205 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 205 I C 2.312 178.508 176.117 0.132 0.000 1.093 205 I CA 0.921 62.278 61.300 0.095 0.000 1.380 205 I CB -0.635 37.379 38.000 0.023 0.000 1.067 205 I HN 0.164 nan 8.210 nan 0.000 0.413 206 I N 2.041 122.671 120.570 0.100 0.000 2.113 206 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 206 I C 0.069 176.303 176.117 0.195 0.000 1.064 206 I CA 2.284 63.679 61.300 0.158 0.000 1.320 206 I CB -2.643 35.416 38.000 0.098 0.000 1.028 206 I HN 0.153 nan 8.210 nan 0.000 0.406 207 P HA -0.188 nan 4.420 nan 0.000 0.215 207 P C 2.114 179.462 177.300 0.080 0.000 1.153 207 P CA 1.689 64.837 63.100 0.080 0.000 0.853 207 P CB -0.129 31.601 31.700 0.051 0.000 0.788 208 M N -1.826 117.840 119.600 0.109 0.000 2.088 208 M HA -0.206 4.274 4.480 -0.000 0.000 0.256 208 M C 2.247 178.630 176.300 0.139 0.000 1.071 208 M CA 2.023 57.390 55.300 0.112 0.000 1.097 208 M CB -0.975 31.727 32.600 0.171 0.000 1.315 208 M HN -0.134 nan 8.290 nan 0.000 0.406 209 F N 0.398 120.375 119.950 0.046 0.000 2.025 209 F HA -0.277 4.250 4.527 -0.000 0.000 0.297 209 F C 2.704 178.517 175.800 0.021 0.000 1.132 209 F CA 2.250 60.272 58.000 0.037 0.000 1.191 209 F CB -1.016 38.004 39.000 0.034 0.000 0.963 209 F HN 0.029 nan 8.300 nan 0.000 0.481 210 S N -0.126 115.453 115.700 -0.202 0.000 2.419 210 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 210 S C 1.882 176.355 174.600 -0.211 0.000 1.016 210 S CA 1.462 59.463 58.200 -0.332 0.000 0.974 210 S CB -0.765 62.378 63.200 -0.096 0.000 0.786 210 S HN 0.592 nan 8.310 nan 0.000 0.492 211 N N 0.102 118.734 118.700 -0.113 0.000 2.216 211 N HA 0.061 4.801 4.740 -0.000 0.000 0.183 211 N C 1.566 177.016 175.510 -0.101 0.000 1.017 211 N CA 0.988 53.987 53.050 -0.085 0.000 0.861 211 N CB -0.045 38.415 38.487 -0.045 0.000 0.986 211 N HN 0.346 nan 8.380 nan 0.000 0.428 212 L N 0.530 121.691 121.223 -0.104 0.000 2.240 212 L HA 0.053 4.393 4.340 -0.000 0.000 0.211 212 L C 2.422 179.213 176.870 -0.132 0.000 1.106 212 L CA 0.212 54.999 54.840 -0.087 0.000 0.793 212 L CB -0.226 41.814 42.059 -0.031 0.000 0.927 212 L HN 0.128 nan 8.230 nan 0.000 0.446 213 A N -0.203 122.465 122.820 -0.254 0.000 2.019 213 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 213 A C 1.830 179.305 177.584 -0.182 0.000 1.164 213 A CA 1.714 53.571 52.037 -0.299 0.000 0.644 213 A CB -0.377 18.257 19.000 -0.611 0.000 0.805 213 A HN 0.457 nan 8.150 nan 0.000 0.449 214 S N -0.430 115.176 115.700 -0.157 0.000 2.499 214 S HA 0.358 4.828 4.470 -0.000 0.000 0.238 214 S C -0.593 173.957 174.600 -0.082 0.000 1.205 214 S CA -0.380 57.756 58.200 -0.106 0.000 1.203 214 S CB -0.328 62.813 63.200 -0.098 0.000 0.954 214 S HN 0.389 nan 8.310 nan 0.000 0.484 215 D N 2.010 122.363 120.400 -0.079 0.000 2.345 215 D HA 0.115 4.755 4.640 -0.000 0.000 0.247 215 D C 1.494 177.759 176.300 -0.057 0.000 1.108 215 D CA -0.320 53.642 54.000 -0.064 0.000 0.894 215 D CB 0.936 41.699 40.800 -0.061 0.000 1.203 215 D HN 0.491 nan 8.370 nan 0.000 0.430 216 E N 2.033 122.203 120.200 -0.049 0.000 2.209 216 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 216 E C -0.064 176.506 176.600 -0.049 0.000 0.993 216 E CA 0.745 57.118 56.400 -0.045 0.000 0.819 216 E CB -0.049 29.629 29.700 -0.037 0.000 0.745 216 E HN 0.483 nan 8.360 nan 0.000 0.477 217 Q N 1.870 121.638 119.800 -0.053 0.000 2.279 217 Q HA -0.004 4.336 4.340 -0.000 0.000 0.256 217 Q C 0.391 176.349 176.000 -0.071 0.000 0.937 217 Q CA 0.158 55.926 55.803 -0.059 0.000 0.933 217 Q CB 1.498 30.203 28.738 -0.056 0.000 1.189 217 Q HN 0.334 nan 8.270 nan 0.000 0.417 218 D N 1.149 121.497 120.400 -0.086 0.000 2.348 218 D HA -0.128 4.512 4.640 -0.000 0.000 0.216 218 D C 1.100 177.328 176.300 -0.120 0.000 0.970 218 D CA 0.810 54.742 54.000 -0.113 0.000 0.889 218 D CB 0.249 40.957 40.800 -0.153 0.000 0.912 218 D HN 0.388 nan 8.370 nan 0.000 0.524 219 S N -0.649 114.990 115.700 -0.100 0.000 2.607 219 S HA 0.048 4.518 4.470 -0.000 0.000 0.224 219 S C 1.702 176.267 174.600 -0.059 0.000 0.969 219 S CA 0.264 58.412 58.200 -0.087 0.000 0.927 219 S CB 0.190 63.345 63.200 -0.076 0.000 0.772 219 S HN 0.159 nan 8.310 nan 0.000 0.533 220 V N 1.027 120.908 119.914 -0.055 0.000 3.013 220 V HA 0.169 4.289 4.120 -0.000 0.000 0.238 220 V C 2.598 178.672 176.094 -0.033 0.000 1.161 220 V CA 0.328 62.605 62.300 -0.038 0.000 1.170 220 V CB -0.477 31.321 31.823 -0.042 0.000 0.917 220 V HN 0.304 nan 8.190 nan 0.000 0.478 221 R N 1.374 121.844 120.500 -0.051 0.000 2.115 221 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 221 R C 2.400 178.688 176.300 -0.020 0.000 1.133 221 R CA 2.062 58.132 56.100 -0.051 0.000 0.935 221 R CB -0.975 29.287 30.300 -0.063 0.000 0.853 221 R HN 0.485 nan 8.270 nan 0.000 0.433 222 L N 0.667 121.875 121.223 -0.025 0.000 2.129 222 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 222 L C 1.881 178.777 176.870 0.044 0.000 1.087 222 L CA 1.831 56.675 54.840 0.008 0.000 0.757 222 L CB -1.327 40.718 42.059 -0.023 0.000 0.896 222 L HN 0.208 nan 8.230 nan 0.000 0.434 223 L N 0.320 121.563 121.223 0.033 0.000 2.456 223 L HA -0.041 4.299 4.340 -0.000 0.000 0.224 223 L C 2.812 179.739 176.870 0.094 0.000 1.148 223 L CA 0.807 55.682 54.840 0.059 0.000 0.825 223 L CB -0.447 41.638 42.059 0.044 0.000 0.937 223 L HN 0.441 nan 8.230 nan 0.000 0.450 224 A N -1.025 121.853 122.820 0.096 0.000 1.943 224 A HA -0.036 4.284 4.320 -0.000 0.000 0.213 224 A C 2.223 179.976 177.584 0.282 0.000 1.181 224 A CA 0.755 52.898 52.037 0.176 0.000 0.653 224 A CB -0.406 18.635 19.000 0.067 0.000 0.833 224 A HN 0.124 nan 8.150 nan 0.000 0.451 225 V N 0.475 120.508 119.914 0.198 0.000 2.287 225 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 225 V C 2.588 178.772 176.094 0.150 0.000 1.053 225 V CA 2.214 64.634 62.300 0.200 0.000 1.027 225 V CB -0.698 31.209 31.823 0.141 0.000 0.646 225 V HN 0.635 nan 8.190 nan 0.000 0.447 226 E N 0.273 120.548 120.200 0.125 0.000 2.171 226 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 226 E C 2.067 178.719 176.600 0.086 0.000 0.997 226 E CA 1.803 58.263 56.400 0.100 0.000 0.810 226 E CB -0.068 29.690 29.700 0.098 0.000 0.738 226 E HN 0.583 nan 8.360 nan 0.000 0.467 227 A N -0.055 122.830 122.820 0.108 0.000 2.169 227 A HA -0.031 4.289 4.320 -0.000 0.000 0.210 227 A C 2.411 180.004 177.584 0.015 0.000 1.168 227 A CA 0.647 52.733 52.037 0.083 0.000 0.813 227 A CB -0.749 18.328 19.000 0.128 0.000 0.861 227 A HN 0.498 nan 8.150 nan 0.000 0.481 228 C N -1.060 118.259 119.300 0.031 0.000 2.413 228 C HA -0.125 4.335 4.460 -0.000 0.000 0.276 228 C C 2.429 177.321 174.990 -0.165 0.000 1.248 228 C CA 1.529 60.437 59.018 -0.182 0.000 1.742 228 C CB -1.400 26.344 27.740 0.007 0.000 2.017 228 C HN 0.435 nan 8.230 nan 0.000 0.481 229 V N 2.129 122.004 119.914 -0.064 0.000 2.439 229 V HA -0.251 3.869 4.120 -0.000 0.000 0.253 229 V C 2.082 178.130 176.094 -0.077 0.000 1.074 229 V CA 2.902 65.165 62.300 -0.062 0.000 1.076 229 V CB -0.765 31.043 31.823 -0.025 0.000 0.664 229 V HN 0.730 nan 8.190 nan 0.000 0.461 230 N N 0.217 118.872 118.700 -0.075 0.000 2.092 230 N HA -0.029 4.711 4.740 -0.000 0.000 0.189 230 N C 1.632 177.070 175.510 -0.120 0.000 1.040 230 N CA 1.957 54.961 53.050 -0.077 0.000 0.845 230 N CB -0.472 37.984 38.487 -0.051 0.000 1.017 230 N HN 0.465 nan 8.380 nan 0.000 0.426 231 I N 0.924 121.387 120.570 -0.179 0.000 2.145 231 I HA -0.278 3.892 4.170 -0.000 0.000 0.244 231 I C 1.883 177.874 176.117 -0.210 0.000 1.075 231 I CA 1.451 62.611 61.300 -0.233 0.000 1.332 231 I CB -0.375 37.374 38.000 -0.419 0.000 1.033 231 I HN 0.160 nan 8.210 nan 0.000 0.410 232 A N -0.760 121.931 122.820 -0.216 0.000 2.238 232 A HA -0.083 4.237 4.320 -0.000 0.000 0.208 232 A C 2.086 179.606 177.584 -0.107 0.000 1.177 232 A CA 0.596 52.539 52.037 -0.156 0.000 0.804 232 A CB -0.381 18.530 19.000 -0.149 0.000 0.823 232 A HN 0.520 nan 8.150 nan 0.000 0.482 233 Q N -0.869 118.871 119.800 -0.100 0.000 2.247 233 Q HA 0.337 4.677 4.340 -0.000 0.000 0.211 233 Q C -0.126 175.832 176.000 -0.069 0.000 0.861 233 Q CA 0.007 55.766 55.803 -0.075 0.000 0.949 233 Q CB 0.142 28.841 28.738 -0.064 0.000 1.115 233 Q HN 0.590 nan 8.270 nan 0.000 0.507 234 L N 1.431 122.605 121.223 -0.080 0.000 2.865 234 L HA 0.252 4.592 4.340 -0.000 0.000 0.233 234 L C -0.075 176.757 176.870 -0.063 0.000 1.320 234 L CA -0.147 54.649 54.840 -0.073 0.000 1.225 234 L CB 0.266 42.274 42.059 -0.086 0.000 1.542 234 L HN 0.273 nan 8.230 nan 0.000 0.432 235 L N 0.105 121.296 121.223 -0.054 0.000 3.737 235 L HA -0.219 4.121 4.340 -0.000 0.000 0.418 235 L C -1.863 174.983 176.870 -0.040 0.000 1.216 235 L CA -0.468 54.346 54.840 -0.044 0.000 0.915 235 L CB -1.247 40.789 42.059 -0.038 0.000 1.834 235 L HN 0.432 nan 8.230 nan 0.000 0.943 236 P HA 0.371 nan 4.420 nan 0.000 0.317 236 P C 0.211 177.493 177.300 -0.029 0.000 1.307 236 P CA -0.214 62.865 63.100 -0.034 0.000 0.749 236 P CB 0.891 32.569 31.700 -0.037 0.000 1.377 237 Q N -1.318 118.468 119.800 -0.022 0.000 1.562 237 Q HA 0.065 4.405 4.340 -0.000 0.000 0.144 237 Q C -0.238 175.755 176.000 -0.012 0.000 0.455 237 Q CA 0.020 55.811 55.803 -0.019 0.000 0.775 237 Q CB -0.450 28.277 28.738 -0.018 0.000 0.814 237 Q HN 0.528 nan 8.270 nan 0.000 0.180 238 E N 1.684 121.879 120.200 -0.009 0.000 2.467 238 E HA 0.024 4.375 4.350 -0.000 0.000 0.321 238 E C -0.290 176.308 176.600 -0.003 0.000 1.388 238 E CA 0.438 56.835 56.400 -0.004 0.000 1.508 238 E CB -0.158 29.540 29.700 -0.003 0.000 1.250 238 E HN 0.320 nan 8.360 nan 0.000 0.500 239 D N 0.917 121.315 120.400 -0.004 0.000 2.285 239 D HA -0.049 4.591 4.640 -0.000 0.000 0.628 239 D C 1.010 177.307 176.300 -0.006 0.000 0.853 239 D CA 0.060 54.057 54.000 -0.005 0.000 1.175 239 D CB -0.152 40.642 40.800 -0.011 0.000 1.489 239 D HN 0.360 nan 8.370 nan 0.000 0.376 240 L N 0.919 122.138 121.223 -0.007 0.000 2.253 240 L HA 0.163 4.503 4.340 -0.000 0.000 0.205 240 L C 2.250 179.126 176.870 0.011 0.000 1.078 240 L CA 0.527 55.363 54.840 -0.007 0.000 0.805 240 L CB 0.077 42.125 42.059 -0.018 0.000 0.963 240 L HN -0.113 nan 8.230 nan 0.000 0.459 241 E N 0.536 120.743 120.200 0.012 0.000 2.204 241 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 241 E C 1.891 178.507 176.600 0.027 0.000 0.990 241 E CA 1.269 57.682 56.400 0.020 0.000 0.821 241 E CB 0.285 29.994 29.700 0.016 0.000 0.750 241 E HN 0.451 nan 8.360 nan 0.000 0.477 242 A N -0.742 122.093 122.820 0.024 0.000 2.035 242 A HA 0.086 4.406 4.320 -0.000 0.000 0.208 242 A C 1.982 179.589 177.584 0.039 0.000 1.206 242 A CA 0.146 52.200 52.037 0.028 0.000 0.773 242 A CB 0.052 19.064 19.000 0.020 0.000 0.878 242 A HN 0.162 nan 8.150 nan 0.000 0.469 243 L N -1.613 119.634 121.223 0.040 0.000 2.200 243 L HA 0.194 4.534 4.340 -0.000 0.000 0.200 243 L C 1.316 178.250 176.870 0.106 0.000 1.072 243 L CA 1.268 56.143 54.840 0.058 0.000 0.787 243 L CB 0.466 42.544 42.059 0.031 0.000 0.957 243 L HN 0.214 nan 8.230 nan 0.000 0.459 244 V N -0.945 119.019 119.914 0.084 0.000 2.711 244 V HA 0.283 4.403 4.120 -0.000 0.000 0.335 244 V C 0.213 176.382 176.094 0.124 0.000 1.235 244 V CA 0.118 62.498 62.300 0.134 0.000 1.250 244 V CB 0.756 32.536 31.823 -0.071 0.000 1.469 244 V HN 0.329 nan 8.190 nan 0.000 0.646 245 M N 1.235 120.905 119.600 0.117 0.000 2.741 245 M HA 0.478 4.958 4.480 -0.000 0.000 0.211 245 M C -1.336 175.019 176.300 0.091 0.000 1.811 245 M CA 1.067 56.421 55.300 0.089 0.000 1.185 245 M CB 0.279 32.911 32.600 0.053 0.000 1.320 245 M HN 0.159 nan 8.290 nan 0.000 0.583 246 P HA -0.149 nan 4.420 nan 0.000 0.217 246 P C 0.944 178.275 177.300 0.051 0.000 1.148 246 P CA 1.913 65.045 63.100 0.053 0.000 0.834 246 P CB -0.286 31.438 31.700 0.040 0.000 0.783 247 T N -0.484 114.113 114.554 0.071 0.000 2.708 247 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 247 T C 1.753 176.489 174.700 0.060 0.000 1.037 247 T CA 1.053 63.164 62.100 0.018 0.000 1.146 247 T CB -0.953 67.892 68.868 -0.039 0.000 0.865 247 T HN 0.095 nan 8.240 nan 0.000 0.435 248 L N 0.718 122.035 121.223 0.157 0.000 2.005 248 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 248 L C 2.742 179.674 176.870 0.104 0.000 1.072 248 L CA 1.436 56.368 54.840 0.153 0.000 0.744 248 L CB -0.258 41.894 42.059 0.154 0.000 0.895 248 L HN 0.051 nan 8.230 nan 0.000 0.433 249 R N -0.840 119.714 120.500 0.090 0.000 2.170 249 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 249 R C 2.340 178.679 176.300 0.065 0.000 1.145 249 R CA 1.617 57.765 56.100 0.080 0.000 0.984 249 R CB -0.150 30.191 30.300 0.067 0.000 0.869 249 R HN 0.466 nan 8.270 nan 0.000 0.455 250 Q N -0.206 119.624 119.800 0.049 0.000 2.062 250 Q HA 0.010 4.350 4.340 -0.000 0.000 0.196 250 Q C 1.950 177.969 176.000 0.032 0.000 0.967 250 Q CA 1.675 57.495 55.803 0.028 0.000 0.832 250 Q CB -0.163 28.576 28.738 0.001 0.000 0.899 250 Q HN 0.425 nan 8.270 nan 0.000 0.442 251 A N 0.734 123.578 122.820 0.039 0.000 1.978 251 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 251 A C 2.255 179.884 177.584 0.074 0.000 1.170 251 A CA 1.862 53.927 52.037 0.047 0.000 0.636 251 A CB -0.673 18.364 19.000 0.062 0.000 0.810 251 A HN 0.401 nan 8.150 nan 0.000 0.448 252 A N -0.153 122.725 122.820 0.095 0.000 1.940 252 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 252 A C 1.824 179.454 177.584 0.076 0.000 1.176 252 A CA 1.753 53.856 52.037 0.110 0.000 0.631 252 A CB -0.394 18.688 19.000 0.136 0.000 0.814 252 A HN 0.644 nan 8.150 nan 0.000 0.446 253 E N -0.131 120.104 120.200 0.058 0.000 2.472 253 E HA 0.018 4.368 4.350 -0.000 0.000 0.196 253 E C -0.145 176.478 176.600 0.038 0.000 1.033 253 E CA -0.288 56.139 56.400 0.044 0.000 0.886 253 E CB 0.117 29.838 29.700 0.035 0.000 0.944 253 E HN 0.496 nan 8.360 nan 0.000 0.492 254 D N 1.960 122.381 120.400 0.035 0.000 2.658 254 D HA -0.124 4.516 4.640 -0.000 0.000 0.230 254 D C 0.799 177.113 176.300 0.024 0.000 1.118 254 D CA 0.353 54.364 54.000 0.018 0.000 0.848 254 D CB 0.893 41.698 40.800 0.008 0.000 1.160 254 D HN 0.020 nan 8.370 nan 0.000 0.497 255 K N 1.347 121.755 120.400 0.014 0.000 2.281 255 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 255 K C 0.936 177.554 176.600 0.029 0.000 1.046 255 K CA 0.303 56.605 56.287 0.025 0.000 0.938 255 K CB -0.145 32.364 32.500 0.015 0.000 0.737 255 K HN 0.113 nan 8.250 nan 0.000 0.458 256 S N 1.661 117.351 115.700 -0.016 0.000 2.499 256 S HA 0.105 4.575 4.470 -0.000 0.000 0.275 256 S C 0.870 175.439 174.600 -0.051 0.000 1.257 256 S CA -0.973 57.173 58.200 -0.091 0.000 1.050 256 S CB 0.100 63.189 63.200 -0.185 0.000 0.937 256 S HN 0.530 nan 8.310 nan 0.000 0.490 257 W N 6.203 127.520 121.300 0.029 0.000 2.374 257 W HA -0.099 4.561 4.660 -0.000 0.000 0.288 257 W C 1.092 177.664 176.519 0.087 0.000 1.218 257 W CA 0.420 57.796 57.345 0.052 0.000 1.245 257 W CB -0.706 28.777 29.460 0.038 0.000 1.126 257 W HN 0.716 nan 8.180 nan 0.000 0.545 258 R N 0.856 120.831 120.500 -0.876 0.000 2.241 258 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 258 R C 2.126 178.314 176.300 -0.185 0.000 1.101 258 R CA 1.357 56.991 56.100 -0.778 0.000 0.995 258 R CB -0.253 29.444 30.300 -1.006 0.000 0.870 258 R HN 0.198 nan 8.270 nan 0.000 0.463 259 V N 0.270 120.127 119.914 -0.094 0.000 2.436 259 V HA -0.078 4.042 4.120 -0.000 0.000 0.240 259 V C 2.212 178.372 176.094 0.110 0.000 1.040 259 V CA 0.892 63.202 62.300 0.016 0.000 1.052 259 V CB -0.370 31.446 31.823 -0.012 0.000 0.707 259 V HN 0.194 nan 8.190 nan 0.000 0.469 260 R N -0.590 119.985 120.500 0.125 0.000 2.119 260 R HA -0.275 4.065 4.340 -0.000 0.000 0.246 260 R C 2.234 178.655 176.300 0.202 0.000 1.146 260 R CA 2.515 58.711 56.100 0.159 0.000 0.962 260 R CB -0.771 29.631 30.300 0.171 0.000 0.863 260 R HN 0.634 nan 8.270 nan 0.000 0.442 261 Y N 1.122 121.524 120.300 0.171 0.000 2.014 261 Y HA -0.320 4.230 4.550 -0.000 0.000 0.270 261 Y C 2.547 178.534 175.900 0.144 0.000 1.145 261 Y CA 1.795 60.010 58.100 0.191 0.000 1.106 261 Y CB -0.282 38.351 38.460 0.287 0.000 0.968 261 Y HN -0.095 nan 8.280 nan 0.000 0.484 262 M N -0.248 119.567 119.600 0.357 0.000 2.146 262 M HA -0.275 4.205 4.480 -0.000 0.000 0.256 262 M C 2.070 178.442 176.300 0.121 0.000 1.075 262 M CA 1.630 57.073 55.300 0.238 0.000 1.082 262 M CB -1.300 31.418 32.600 0.196 0.000 1.355 262 M HN 0.340 nan 8.290 nan 0.000 0.402 263 V N -0.064 119.932 119.914 0.136 0.000 2.255 263 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 263 V C 2.624 178.865 176.094 0.246 0.000 1.051 263 V CA 2.001 64.413 62.300 0.187 0.000 1.018 263 V CB -1.560 30.399 31.823 0.228 0.000 0.641 263 V HN 0.532 nan 8.190 nan 0.000 0.445 264 A N 0.166 123.069 122.820 0.138 0.000 1.877 264 A HA -0.296 4.024 4.320 -0.000 0.000 0.216 264 A C 2.007 179.616 177.584 0.042 0.000 1.186 264 A CA 2.047 54.143 52.037 0.098 0.000 0.620 264 A CB -0.852 18.099 19.000 -0.082 0.000 0.822 264 A HN 0.584 nan 8.150 nan 0.000 0.443 265 D N -1.742 118.563 120.400 -0.160 0.000 2.389 265 D HA -0.090 4.550 4.640 -0.000 0.000 0.221 265 D C 1.136 177.451 176.300 0.024 0.000 0.974 265 D CA 1.053 54.975 54.000 -0.130 0.000 0.923 265 D CB 0.082 40.751 40.800 -0.219 0.000 0.892 265 D HN 0.277 nan 8.370 nan 0.000 0.518 266 K N -1.671 118.777 120.400 0.080 0.000 2.520 266 K HA 0.203 4.523 4.320 -0.000 0.000 0.206 266 K C 0.551 177.211 176.600 0.101 0.000 1.122 266 K CA -0.297 56.040 56.287 0.083 0.000 1.045 266 K CB -0.112 32.427 32.500 0.066 0.000 0.932 266 K HN 0.022 nan 8.250 nan 0.000 0.571 267 F N 1.115 121.082 119.950 0.030 0.000 2.269 267 F HA -0.201 4.326 4.527 -0.000 0.000 0.301 267 F C 1.903 177.730 175.800 0.045 0.000 1.082 267 F CA 1.914 59.934 58.000 0.034 0.000 1.360 267 F CB 0.241 39.269 39.000 0.047 0.000 1.041 267 F HN 0.113 nan 8.300 nan 0.000 0.512 268 T N -3.640 111.016 114.554 0.169 0.000 3.054 268 T HA -0.007 4.343 4.350 -0.000 0.000 0.259 268 T C 1.615 176.329 174.700 0.022 0.000 1.092 268 T CA 0.809 62.984 62.100 0.126 0.000 1.121 268 T CB -0.294 68.653 68.868 0.131 0.000 0.912 268 T HN 0.336 nan 8.240 nan 0.000 0.489 269 E N 1.560 121.765 120.200 0.009 0.000 2.028 269 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 269 E C 2.178 178.743 176.600 -0.059 0.000 0.988 269 E CA 1.120 57.510 56.400 -0.017 0.000 0.799 269 E CB -0.445 29.255 29.700 -0.000 0.000 0.755 269 E HN 0.426 nan 8.360 nan 0.000 0.447 270 L N 1.180 122.343 121.223 -0.101 0.000 1.971 270 L HA -0.317 4.023 4.340 -0.000 0.000 0.215 270 L C 2.956 179.731 176.870 -0.158 0.000 1.072 270 L CA 1.758 56.506 54.840 -0.153 0.000 0.758 270 L CB -0.830 41.080 42.059 -0.248 0.000 0.889 270 L HN 0.242 nan 8.230 nan 0.000 0.433 271 Q N 0.451 120.138 119.800 -0.189 0.000 2.082 271 Q HA -0.274 4.066 4.340 -0.000 0.000 0.211 271 Q C 2.173 178.122 176.000 -0.084 0.000 1.002 271 Q CA 1.931 57.669 55.803 -0.109 0.000 0.868 271 Q CB 0.018 28.750 28.738 -0.009 0.000 0.931 271 Q HN 0.325 nan 8.270 nan 0.000 0.414 272 K N -0.529 119.830 120.400 -0.069 0.000 2.283 272 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 272 K C 1.692 178.257 176.600 -0.058 0.000 1.048 272 K CA 0.971 57.223 56.287 -0.060 0.000 0.948 272 K CB -0.004 32.470 32.500 -0.043 0.000 0.742 272 K HN 0.360 nan 8.250 nan 0.000 0.458 273 A N 0.328 123.109 122.820 -0.064 0.000 1.924 273 A HA 0.010 4.330 4.320 -0.000 0.000 0.211 273 A C 2.336 179.880 177.584 -0.067 0.000 1.198 273 A CA 0.408 52.406 52.037 -0.064 0.000 0.657 273 A CB -0.213 18.746 19.000 -0.068 0.000 0.852 273 A HN 0.014 nan 8.150 nan 0.000 0.454 274 V N -0.426 119.443 119.914 -0.074 0.000 2.453 274 V HA 0.251 4.371 4.120 -0.000 0.000 0.247 274 V C 1.357 177.420 176.094 -0.053 0.000 1.048 274 V CA 1.422 63.682 62.300 -0.066 0.000 1.049 274 V CB -1.107 30.670 31.823 -0.076 0.000 0.672 274 V HN 1.223 nan 8.190 nan 0.000 0.457 275 G N -0.532 108.235 108.800 -0.056 0.000 2.650 275 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.686 275 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.686 275 G C -1.805 173.066 174.900 -0.048 0.000 1.205 275 G CA -0.190 44.880 45.100 -0.050 0.000 0.781 275 G HN 0.109 nan 8.290 nan 0.000 0.648 276 P HA -0.073 nan 4.420 nan 0.000 0.218 276 P C 1.318 178.597 177.300 -0.036 0.000 1.149 276 P CA 1.593 64.657 63.100 -0.060 0.000 0.817 276 P CB 0.301 31.963 31.700 -0.063 0.000 0.785 277 E N 0.241 120.426 120.200 -0.025 0.000 2.058 277 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 277 E C 2.061 178.661 176.600 0.001 0.000 0.997 277 E CA 1.304 57.697 56.400 -0.012 0.000 0.801 277 E CB -0.840 28.853 29.700 -0.012 0.000 0.746 277 E HN 0.217 nan 8.360 nan 0.000 0.450 278 I N -0.292 120.278 120.570 0.000 0.000 2.406 278 I HA -0.175 3.995 4.170 -0.000 0.000 0.249 278 I C 2.131 178.271 176.117 0.038 0.000 1.122 278 I CA 1.090 62.400 61.300 0.015 0.000 1.431 278 I CB -0.372 37.631 38.000 0.005 0.000 1.087 278 I HN 0.087 nan 8.210 nan 0.000 0.424 279 T N 0.890 115.461 114.554 0.029 0.000 2.699 279 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 279 T C 1.941 176.718 174.700 0.128 0.000 1.036 279 T CA 1.427 63.575 62.100 0.080 0.000 1.147 279 T CB -0.210 68.664 68.868 0.010 0.000 0.862 279 T HN 0.290 nan 8.240 nan 0.000 0.446 280 K N -0.117 120.322 120.400 0.066 0.000 2.097 280 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 280 K C 2.559 179.214 176.600 0.092 0.000 1.049 280 K CA 1.379 57.709 56.287 0.072 0.000 0.933 280 K CB -0.181 32.336 32.500 0.030 0.000 0.717 280 K HN 0.230 nan 8.250 nan 0.000 0.442 281 T N -0.485 114.114 114.554 0.076 0.000 3.023 281 T HA 0.009 4.359 4.350 -0.000 0.000 0.249 281 T C 1.053 175.803 174.700 0.084 0.000 1.050 281 T CA 0.567 62.709 62.100 0.070 0.000 1.088 281 T CB 0.302 69.198 68.868 0.046 0.000 0.946 281 T HN 0.108 nan 8.240 nan 0.000 0.480 282 D N -0.232 120.227 120.400 0.098 0.000 2.626 282 D HA 0.250 4.890 4.640 -0.000 0.000 0.274 282 D C 1.939 178.334 176.300 0.158 0.000 1.045 282 D CA 0.154 54.217 54.000 0.105 0.000 0.925 282 D CB 0.566 41.411 40.800 0.075 0.000 1.260 282 D HN 0.305 nan 8.370 nan 0.000 0.490 283 L N 0.991 122.333 121.223 0.198 0.000 2.179 283 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 283 L C 2.511 179.647 176.870 0.442 0.000 1.096 283 L CA 0.322 55.362 54.840 0.334 0.000 0.779 283 L CB -0.107 42.081 42.059 0.215 0.000 0.922 283 L HN -0.106 nan 8.230 nan 0.000 0.443 284 V N 1.046 121.181 119.914 0.369 0.000 2.231 284 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 284 V C -0.316 175.902 176.094 0.206 0.000 1.058 284 V CA 2.368 64.864 62.300 0.326 0.000 1.022 284 V CB -1.560 30.431 31.823 0.280 0.000 0.640 284 V HN 0.360 nan 8.190 nan 0.000 0.445 285 P HA -0.009 nan 4.420 nan 0.000 0.226 285 P C 1.351 178.698 177.300 0.078 0.000 1.153 285 P CA 1.461 64.618 63.100 0.095 0.000 0.777 285 P CB -0.072 31.677 31.700 0.082 0.000 0.794 286 A N -1.042 121.866 122.820 0.148 0.000 1.874 286 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 286 A C 2.010 179.566 177.584 -0.047 0.000 1.189 286 A CA 0.951 53.073 52.037 0.142 0.000 0.615 286 A CB -1.684 17.517 19.000 0.335 0.000 0.830 286 A HN 0.088 nan 8.150 nan 0.000 0.443 287 F N 0.627 120.349 119.950 -0.381 0.000 2.102 287 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 287 F C 2.470 178.011 175.800 -0.432 0.000 1.105 287 F CA 2.135 59.626 58.000 -0.847 0.000 1.239 287 F CB -0.668 37.685 39.000 -1.078 0.000 0.991 287 F HN 0.368 nan 8.300 nan 0.000 0.474 288 Q N 0.024 119.722 119.800 -0.170 0.000 2.082 288 Q HA -0.322 4.018 4.340 -0.000 0.000 0.211 288 Q C 1.982 177.860 176.000 -0.204 0.000 1.002 288 Q CA 2.424 58.132 55.803 -0.159 0.000 0.868 288 Q CB -0.300 28.421 28.738 -0.028 0.000 0.931 288 Q HN 0.405 nan 8.270 nan 0.000 0.414 289 N N -0.297 118.314 118.700 -0.149 0.000 2.142 289 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 289 N C 1.632 177.036 175.510 -0.177 0.000 1.023 289 N CA 0.894 53.870 53.050 -0.123 0.000 0.852 289 N CB -0.152 38.303 38.487 -0.055 0.000 0.998 289 N HN 0.197 nan 8.380 nan 0.000 0.424 290 L N 0.029 121.097 121.223 -0.259 0.000 2.079 290 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 290 L C 2.053 178.732 176.870 -0.319 0.000 1.081 290 L CA 1.058 55.730 54.840 -0.279 0.000 0.752 290 L CB -0.317 41.517 42.059 -0.376 0.000 0.896 290 L HN 0.278 nan 8.230 nan 0.000 0.433 291 M N -0.907 118.416 119.600 -0.461 0.000 2.374 291 M HA -0.179 4.301 4.480 -0.000 0.000 0.264 291 M C 1.336 177.498 176.300 -0.230 0.000 1.067 291 M CA 1.502 56.564 55.300 -0.396 0.000 1.103 291 M CB -0.039 32.258 32.600 -0.505 0.000 1.402 291 M HN 0.049 nan 8.290 nan 0.000 0.444 292 K N -0.004 120.283 120.400 -0.188 0.000 2.498 292 K HA 0.085 4.405 4.320 -0.000 0.000 0.207 292 K C -0.075 176.473 176.600 -0.086 0.000 1.033 292 K CA -0.224 55.992 56.287 -0.119 0.000 1.138 292 K CB 0.214 32.653 32.500 -0.101 0.000 0.860 292 K HN 0.164 nan 8.250 nan 0.000 0.490 293 D N -0.314 120.033 120.400 -0.088 0.000 2.390 293 D HA -0.077 4.563 4.640 -0.000 0.000 0.236 293 D C 0.863 177.141 176.300 -0.038 0.000 1.189 293 D CA 0.152 54.123 54.000 -0.047 0.000 0.887 293 D CB 1.220 42.001 40.800 -0.032 0.000 1.198 293 D HN 0.124 nan 8.370 nan 0.000 0.444 294 C N 1.462 120.752 119.300 -0.017 0.000 2.466 294 C HA -0.072 4.388 4.460 -0.000 0.000 0.278 294 C C 0.925 175.887 174.990 -0.046 0.000 1.288 294 C CA 0.341 59.344 59.018 -0.024 0.000 1.722 294 C CB -0.676 27.060 27.740 -0.007 0.000 2.017 294 C HN 0.569 nan 8.230 nan 0.000 0.488 295 E N -0.070 120.104 120.200 -0.043 0.000 2.290 295 E HA 0.394 4.744 4.350 -0.000 0.000 0.277 295 E C 0.642 177.187 176.600 -0.092 0.000 1.035 295 E CA 0.170 56.503 56.400 -0.112 0.000 0.873 295 E CB 1.003 30.608 29.700 -0.158 0.000 1.029 295 E HN 0.363 nan 8.360 nan 0.000 0.419 296 A N 4.073 126.822 122.820 -0.118 0.000 2.066 296 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 296 A C 1.821 179.370 177.584 -0.058 0.000 1.157 296 A CA 1.223 53.211 52.037 -0.082 0.000 0.670 296 A CB -0.217 18.732 19.000 -0.086 0.000 0.804 296 A HN 0.745 nan 8.150 nan 0.000 0.453 297 E N -0.522 119.622 120.200 -0.093 0.000 2.274 297 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 297 E C 1.667 178.366 176.600 0.165 0.000 0.996 297 E CA 0.831 57.229 56.400 -0.004 0.000 0.840 297 E CB 0.027 29.643 29.700 -0.140 0.000 0.772 297 E HN 0.387 nan 8.360 nan 0.000 0.491 298 V N 0.653 120.641 119.914 0.123 0.000 2.273 298 V HA -0.186 3.934 4.120 -0.000 0.000 0.242 298 V C 2.193 178.286 176.094 -0.002 0.000 1.035 298 V CA 1.566 63.940 62.300 0.123 0.000 1.013 298 V CB -0.405 31.499 31.823 0.136 0.000 0.652 298 V HN 0.219 nan 8.190 nan 0.000 0.452 299 R N 0.577 121.054 120.500 -0.039 0.000 2.113 299 R HA -0.246 4.094 4.340 -0.000 0.000 0.244 299 R C 2.400 178.664 176.300 -0.060 0.000 1.142 299 R CA 1.716 57.762 56.100 -0.090 0.000 0.953 299 R CB -0.854 29.394 30.300 -0.087 0.000 0.860 299 R HN 0.544 nan 8.270 nan 0.000 0.438 300 A N 1.566 124.385 122.820 -0.001 0.000 1.859 300 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 300 A C 2.453 180.094 177.584 0.095 0.000 1.198 300 A CA 2.009 54.074 52.037 0.048 0.000 0.629 300 A CB -0.896 18.167 19.000 0.106 0.000 0.830 300 A HN 0.438 nan 8.150 nan 0.000 0.446 301 A N -0.787 122.090 122.820 0.095 0.000 2.070 301 A HA 0.229 4.549 4.320 -0.000 0.000 0.220 301 A C 2.348 179.936 177.584 0.007 0.000 1.159 301 A CA 1.929 53.990 52.037 0.040 0.000 0.656 301 A CB -0.726 18.142 19.000 -0.219 0.000 0.800 301 A HN 1.067 nan 8.150 nan 0.000 0.453 302 A N -1.247 121.540 122.820 -0.054 0.000 1.975 302 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 302 A C 2.378 179.906 177.584 -0.093 0.000 1.170 302 A CA 1.610 53.568 52.037 -0.132 0.000 0.656 302 A CB -0.500 18.309 19.000 -0.319 0.000 0.821 302 A HN 0.397 nan 8.150 nan 0.000 0.449 303 S N -1.267 114.397 115.700 -0.061 0.000 2.377 303 S HA -0.100 4.370 4.470 -0.000 0.000 0.223 303 S C 1.546 176.206 174.600 0.100 0.000 1.030 303 S CA 0.773 58.960 58.200 -0.023 0.000 0.970 303 S CB -0.502 62.658 63.200 -0.066 0.000 0.830 303 S HN 0.779 nan 8.310 nan 0.000 0.473 304 H N 0.598 119.698 119.070 0.050 0.000 2.562 304 H HA 0.014 4.570 4.556 -0.000 0.000 0.289 304 H C 1.062 176.454 175.328 0.107 0.000 1.059 304 H CA 0.677 56.768 56.048 0.071 0.000 1.203 304 H CB 0.216 30.014 29.762 0.059 0.000 1.346 304 H HN 0.039 nan 8.280 nan 0.000 0.611 305 K N -0.791 119.780 120.400 0.286 0.000 2.554 305 K HA 0.074 4.394 4.320 -0.000 0.000 0.211 305 K C 1.152 177.958 176.600 0.344 0.000 1.226 305 K CA 0.159 56.622 56.287 0.292 0.000 1.025 305 K CB 1.241 33.931 32.500 0.317 0.000 1.021 305 K HN 0.074 nan 8.250 nan 0.000 0.600 306 V N 1.791 121.925 119.914 0.368 0.000 2.307 306 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 306 V C 2.479 178.732 176.094 0.266 0.000 1.045 306 V CA 2.211 64.754 62.300 0.404 0.000 1.024 306 V CB -0.367 31.635 31.823 0.299 0.000 0.651 306 V HN 0.294 nan 8.190 nan 0.000 0.449 307 K N 1.352 121.869 120.400 0.196 0.000 1.991 307 K HA -0.271 4.049 4.320 -0.000 0.000 0.212 307 K C 2.129 178.798 176.600 0.115 0.000 1.049 307 K CA 2.526 58.898 56.287 0.141 0.000 0.932 307 K CB -0.646 31.927 32.500 0.121 0.000 0.717 307 K HN 0.472 nan 8.250 nan 0.000 0.441 308 E N -0.985 119.288 120.200 0.120 0.000 2.110 308 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 308 E C 1.875 178.515 176.600 0.068 0.000 0.988 308 E CA 1.229 57.680 56.400 0.084 0.000 0.804 308 E CB -0.255 29.501 29.700 0.093 0.000 0.745 308 E HN 0.446 nan 8.360 nan 0.000 0.458 309 F N 0.751 120.659 119.950 -0.070 0.000 2.102 309 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 309 F C 2.204 177.939 175.800 -0.109 0.000 1.105 309 F CA 1.488 59.389 58.000 -0.165 0.000 1.239 309 F CB -0.475 38.238 39.000 -0.480 0.000 0.991 309 F HN 0.139 nan 8.300 nan 0.000 0.474 310 C N 0.065 119.341 119.300 -0.040 0.000 2.440 310 C HA -0.136 4.324 4.460 -0.000 0.000 0.278 310 C C 2.649 177.567 174.990 -0.121 0.000 1.295 310 C CA 1.190 60.151 59.018 -0.095 0.000 1.738 310 C CB -1.270 26.503 27.740 0.055 0.000 1.987 310 C HN 0.588 nan 8.230 nan 0.000 0.492 311 E N 1.669 121.828 120.200 -0.067 0.000 2.204 311 E HA -0.107 4.243 4.350 -0.000 0.000 0.195 311 E C 0.331 176.880 176.600 -0.086 0.000 0.990 311 E CA 0.791 57.160 56.400 -0.051 0.000 0.821 311 E CB -0.027 29.665 29.700 -0.014 0.000 0.750 311 E HN 0.790 nan 8.360 nan 0.000 0.477 312 N N 0.104 118.719 118.700 -0.140 0.000 2.746 312 N HA 0.153 4.893 4.740 -0.000 0.000 0.250 312 N C -0.210 175.152 175.510 -0.246 0.000 1.146 312 N CA -0.100 52.858 53.050 -0.152 0.000 0.828 312 N CB 1.464 39.884 38.487 -0.111 0.000 1.158 312 N HN 0.064 nan 8.380 nan 0.000 0.519 313 L N 0.526 121.612 121.223 -0.228 0.000 3.468 313 L HA 0.360 4.700 4.340 -0.000 0.000 0.181 313 L C 0.854 177.631 176.870 -0.156 0.000 1.344 313 L CA 0.185 54.867 54.840 -0.263 0.000 1.236 313 L CB -0.292 41.599 42.059 -0.279 0.000 1.635 313 L HN 0.547 nan 8.230 nan 0.000 0.759 314 S N -1.662 113.971 115.700 -0.112 0.000 2.973 314 S HA 0.689 5.159 4.470 -0.000 0.000 0.317 314 S C 0.039 174.607 174.600 -0.054 0.000 1.196 314 S CA -0.169 57.986 58.200 -0.074 0.000 0.894 314 S CB 1.029 64.193 63.200 -0.061 0.000 1.292 314 S HN 0.205 nan 8.310 nan 0.000 0.614 315 A N 1.494 124.290 122.820 -0.040 0.000 3.051 315 A HA 0.186 4.506 4.320 -0.000 0.000 0.187 315 A C 1.484 179.052 177.584 -0.026 0.000 1.690 315 A CA 1.342 53.361 52.037 -0.030 0.000 0.677 315 A CB -1.692 17.293 19.000 -0.024 0.000 1.164 315 A HN 0.965 nan 8.150 nan 0.000 0.473 316 D N -0.773 119.615 120.400 -0.020 0.000 2.269 316 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 316 D C 1.519 177.810 176.300 -0.016 0.000 0.963 316 D CA 1.220 55.211 54.000 -0.016 0.000 0.864 316 D CB -0.773 40.020 40.800 -0.011 0.000 0.936 316 D HN 0.246 nan 8.370 nan 0.000 0.505 317 C N 0.177 119.466 119.300 -0.018 0.000 2.432 317 C HA 0.065 4.525 4.460 -0.000 0.000 0.280 317 C C 2.538 177.516 174.990 -0.021 0.000 1.353 317 C CA 0.283 59.291 59.018 -0.015 0.000 1.766 317 C CB -1.224 26.508 27.740 -0.014 0.000 1.924 317 C HN 0.369 nan 8.230 nan 0.000 0.509 318 R N 1.492 121.972 120.500 -0.033 0.000 2.133 318 R HA -0.240 4.100 4.340 -0.000 0.000 0.245 318 R C 2.238 178.523 176.300 -0.025 0.000 1.137 318 R CA 2.216 58.291 56.100 -0.043 0.000 0.947 318 R CB -0.473 29.797 30.300 -0.050 0.000 0.865 318 R HN 0.616 nan 8.270 nan 0.000 0.437 319 E N -0.175 120.014 120.200 -0.018 0.000 2.077 319 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 319 E C 1.733 178.324 176.600 -0.015 0.000 0.989 319 E CA 1.345 57.736 56.400 -0.014 0.000 0.800 319 E CB -0.205 29.488 29.700 -0.011 0.000 0.746 319 E HN 0.503 nan 8.360 nan 0.000 0.452 320 N N 0.043 118.735 118.700 -0.012 0.000 2.080 320 N HA -0.158 4.582 4.740 -0.000 0.000 0.189 320 N C 2.168 177.679 175.510 0.000 0.000 1.036 320 N CA 1.218 54.262 53.050 -0.010 0.000 0.846 320 N CB -0.000 38.484 38.487 -0.005 0.000 1.015 320 N HN 0.067 nan 8.380 nan 0.000 0.423 321 V N 1.757 121.678 119.914 0.012 0.000 2.287 321 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 321 V C 2.192 178.319 176.094 0.056 0.000 1.053 321 V CA 1.616 63.940 62.300 0.040 0.000 1.027 321 V CB -0.409 31.442 31.823 0.047 0.000 0.646 321 V HN 0.305 nan 8.190 nan 0.000 0.447 322 I N -1.027 119.568 120.570 0.041 0.000 2.286 322 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 322 I C 2.444 178.571 176.117 0.016 0.000 1.115 322 I CA 2.030 63.362 61.300 0.053 0.000 1.392 322 I CB -0.322 37.700 38.000 0.037 0.000 1.065 322 I HN 0.370 nan 8.210 nan 0.000 0.418 323 M N -0.338 119.250 119.600 -0.019 0.000 2.160 323 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 323 M C 2.297 178.562 176.300 -0.059 0.000 1.073 323 M CA 1.824 57.081 55.300 -0.073 0.000 1.142 323 M CB -0.396 32.146 32.600 -0.096 0.000 1.358 323 M HN 0.012 nan 8.290 nan 0.000 0.422 324 T N -0.508 114.032 114.554 -0.023 0.000 3.067 324 T HA -0.008 4.342 4.350 -0.000 0.000 0.261 324 T C 1.355 176.060 174.700 0.008 0.000 1.110 324 T CA 1.468 63.562 62.100 -0.012 0.000 1.113 324 T CB 0.139 69.006 68.868 -0.002 0.000 0.917 324 T HN 0.681 nan 8.240 nan 0.000 0.499 325 Q N -1.513 118.304 119.800 0.029 0.000 2.024 325 Q HA 0.234 4.574 4.340 -0.000 0.000 0.227 325 Q C 1.628 177.668 176.000 0.067 0.000 0.720 325 Q CA -0.149 55.682 55.803 0.046 0.000 0.884 325 Q CB 0.075 28.851 28.738 0.062 0.000 1.212 325 Q HN 0.322 nan 8.270 nan 0.000 0.450 326 I N 1.305 121.933 120.570 0.097 0.000 2.339 326 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 326 I C 2.384 178.543 176.117 0.071 0.000 1.096 326 I CA 0.725 62.107 61.300 0.137 0.000 1.408 326 I CB -0.460 37.674 38.000 0.224 0.000 1.092 326 I HN 0.272 nan 8.210 nan 0.000 0.423 327 L N 2.062 123.308 121.223 0.038 0.000 2.046 327 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 327 L C -0.350 176.516 176.870 -0.006 0.000 1.077 327 L CA 2.411 57.255 54.840 0.007 0.000 0.747 327 L CB -2.206 39.837 42.059 -0.027 0.000 0.896 327 L HN 0.082 nan 8.230 nan 0.000 0.432 328 P HA -0.122 nan 4.420 nan 0.000 0.218 328 P C 1.936 179.221 177.300 -0.024 0.000 1.146 328 P CA 1.271 64.365 63.100 -0.012 0.000 0.813 328 P CB -0.139 31.556 31.700 -0.009 0.000 0.778 329 C N -1.992 117.289 119.300 -0.032 0.000 2.467 329 C HA 0.014 4.474 4.460 -0.000 0.000 0.279 329 C C 2.541 177.493 174.990 -0.064 0.000 1.347 329 C CA 0.252 59.232 59.018 -0.064 0.000 1.748 329 C CB -1.554 26.125 27.740 -0.102 0.000 1.977 329 C HN 0.157 nan 8.230 nan 0.000 0.501 330 I N 2.292 122.839 120.570 -0.039 0.000 2.163 330 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 330 I C 2.440 178.531 176.117 -0.043 0.000 1.081 330 I CA 1.682 62.960 61.300 -0.037 0.000 1.353 330 I CB -0.333 37.658 38.000 -0.016 0.000 1.054 330 I HN 0.295 nan 8.210 nan 0.000 0.407 331 K N 0.881 121.258 120.400 -0.037 0.000 2.360 331 K HA -0.195 4.125 4.320 -0.000 0.000 0.201 331 K C 1.750 178.329 176.600 -0.035 0.000 1.046 331 K CA 1.591 57.856 56.287 -0.037 0.000 0.945 331 K CB -0.575 31.911 32.500 -0.023 0.000 0.750 331 K HN 0.439 nan 8.250 nan 0.000 0.464 332 E N 0.446 120.623 120.200 -0.039 0.000 2.122 332 E HA 0.004 4.354 4.350 -0.000 0.000 0.190 332 E C 1.767 178.339 176.600 -0.047 0.000 0.977 332 E CA 0.422 56.798 56.400 -0.041 0.000 0.820 332 E CB 0.034 29.707 29.700 -0.046 0.000 0.770 332 E HN 0.390 nan 8.360 nan 0.000 0.462 333 L N 0.288 121.478 121.223 -0.055 0.000 2.179 333 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 333 L C 2.248 179.090 176.870 -0.046 0.000 1.096 333 L CA 0.295 55.099 54.840 -0.059 0.000 0.779 333 L CB 0.138 42.153 42.059 -0.075 0.000 0.922 333 L HN 0.076 nan 8.230 nan 0.000 0.443 334 V N -1.121 118.768 119.914 -0.041 0.000 2.515 334 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 334 V C 1.499 177.575 176.094 -0.029 0.000 1.058 334 V CA 1.569 63.848 62.300 -0.034 0.000 1.064 334 V CB -0.626 31.176 31.823 -0.036 0.000 0.675 334 V HN 0.575 nan 8.190 nan 0.000 0.461 335 S N -0.050 115.632 115.700 -0.030 0.000 3.208 335 S HA 0.322 4.792 4.470 -0.000 0.000 0.195 335 S C -0.483 174.100 174.600 -0.028 0.000 1.394 335 S CA -0.608 57.577 58.200 -0.026 0.000 1.127 335 S CB 0.002 63.188 63.200 -0.024 0.000 1.282 335 S HN 0.437 nan 8.310 nan 0.000 0.513 336 D N 1.057 121.440 120.400 -0.029 0.000 2.248 336 D HA 0.649 5.289 4.640 -0.000 0.000 0.246 336 D C 1.055 177.341 176.300 -0.023 0.000 1.027 336 D CA -0.569 53.413 54.000 -0.030 0.000 0.853 336 D CB 1.864 42.642 40.800 -0.038 0.000 1.243 336 D HN 0.226 nan 8.370 nan 0.000 0.462 337 A N 3.782 126.588 122.820 -0.024 0.000 1.986 337 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 337 A C 1.151 178.727 177.584 -0.013 0.000 1.171 337 A CA 1.095 53.120 52.037 -0.019 0.000 0.640 337 A CB -0.692 18.293 19.000 -0.024 0.000 0.811 337 A HN 0.647 nan 8.150 nan 0.000 0.451 338 N N -0.972 117.721 118.700 -0.012 0.000 2.518 338 N HA 0.336 5.076 4.740 -0.000 0.000 0.283 338 N C 0.317 175.849 175.510 0.036 0.000 1.119 338 N CA -0.162 52.892 53.050 0.007 0.000 0.983 338 N CB 0.759 39.244 38.487 -0.003 0.000 1.139 338 N HN 0.241 nan 8.380 nan 0.000 0.465 339 Q N 0.656 120.510 119.800 0.090 0.000 2.320 339 Q HA 0.120 4.460 4.340 -0.000 0.000 0.201 339 Q C 0.151 176.203 176.000 0.087 0.000 0.910 339 Q CA 0.502 56.359 55.803 0.091 0.000 0.946 339 Q CB 0.368 29.170 28.738 0.107 0.000 1.062 339 Q HN 0.657 nan 8.270 nan 0.000 0.503 340 H N -1.720 117.330 119.070 -0.034 0.000 3.241 340 H HA 0.072 4.628 4.556 -0.000 0.000 0.260 340 H C 1.787 177.082 175.328 -0.055 0.000 1.084 340 H CA 0.604 56.633 56.048 -0.032 0.000 1.203 340 H CB 1.125 30.883 29.762 -0.007 0.000 1.524 340 H HN 0.204 nan 8.280 nan 0.000 0.521 341 V N -0.205 119.736 119.914 0.046 0.000 2.273 341 V HA -0.090 4.030 4.120 -0.000 0.000 0.242 341 V C 2.123 178.180 176.094 -0.062 0.000 1.035 341 V CA 1.037 63.324 62.300 -0.022 0.000 1.013 341 V CB -0.403 31.403 31.823 -0.029 0.000 0.652 341 V HN 0.062 nan 8.190 nan 0.000 0.452 342 K N 1.172 121.544 120.400 -0.047 0.000 2.020 342 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 342 K C 2.580 179.134 176.600 -0.077 0.000 1.050 342 K CA 2.069 58.325 56.287 -0.052 0.000 0.929 342 K CB -0.640 31.838 32.500 -0.038 0.000 0.714 342 K HN 0.527 nan 8.250 nan 0.000 0.443 343 S N 0.238 115.879 115.700 -0.100 0.000 2.399 343 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 343 S C 1.942 176.430 174.600 -0.187 0.000 1.022 343 S CA 1.158 59.276 58.200 -0.137 0.000 0.983 343 S CB -0.125 62.961 63.200 -0.189 0.000 0.803 343 S HN 0.395 nan 8.310 nan 0.000 0.480 344 A N 1.126 123.794 122.820 -0.253 0.000 1.855 344 A HA 0.201 4.521 4.320 -0.000 0.000 0.213 344 A C 2.149 179.517 177.584 -0.360 0.000 1.195 344 A CA 1.090 52.798 52.037 -0.549 0.000 0.610 344 A CB -0.924 17.686 19.000 -0.649 0.000 0.837 344 A HN 0.554 nan 8.150 nan 0.000 0.444 345 L N -0.302 120.813 121.223 -0.180 0.000 2.079 345 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 345 L C 2.735 179.590 176.870 -0.025 0.000 1.081 345 L CA 1.640 56.437 54.840 -0.071 0.000 0.752 345 L CB -0.310 41.722 42.059 -0.044 0.000 0.896 345 L HN 0.397 nan 8.230 nan 0.000 0.433 346 A N -0.650 122.145 122.820 -0.040 0.000 1.883 346 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 346 A C 2.491 180.075 177.584 0.000 0.000 1.186 346 A CA 2.084 54.121 52.037 -0.001 0.000 0.624 346 A CB -1.226 17.759 19.000 -0.026 0.000 0.822 346 A HN 0.628 nan 8.150 nan 0.000 0.444 347 S N -0.602 115.076 115.700 -0.038 0.000 2.440 347 S HA -0.137 4.333 4.470 -0.000 0.000 0.240 347 S C 1.517 176.146 174.600 0.048 0.000 1.014 347 S CA 2.348 60.549 58.200 0.002 0.000 0.980 347 S CB -0.613 62.597 63.200 0.017 0.000 0.775 347 S HN 1.217 nan 8.310 nan 0.000 0.499 348 V N -2.586 117.365 119.914 0.061 0.000 3.431 348 V HA 0.428 4.548 4.120 -0.000 0.000 0.255 348 V C 1.890 178.055 176.094 0.118 0.000 1.403 348 V CA 0.337 62.694 62.300 0.096 0.000 1.101 348 V CB -0.711 31.188 31.823 0.127 0.000 0.891 348 V HN 0.339 nan 8.190 nan 0.000 0.446 349 I N 0.917 121.573 120.570 0.145 0.000 2.399 349 I HA -0.181 3.989 4.170 -0.000 0.000 0.254 349 I C 2.207 178.553 176.117 0.382 0.000 1.146 349 I CA 2.277 63.716 61.300 0.232 0.000 1.412 349 I CB -0.216 37.924 38.000 0.232 0.000 1.076 349 I HN 0.400 nan 8.210 nan 0.000 0.432 350 M N 0.174 119.919 119.600 0.242 0.000 2.229 350 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 350 M C 1.988 178.331 176.300 0.071 0.000 1.063 350 M CA 1.745 57.050 55.300 0.008 0.000 1.114 350 M CB -0.771 31.684 32.600 -0.243 0.000 1.387 350 M HN 0.256 nan 8.290 nan 0.000 0.420 351 G N -0.862 107.990 108.800 0.086 0.000 2.744 351 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.211 351 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.211 351 G C 1.182 176.142 174.900 0.099 0.000 1.143 351 G CA 0.169 45.313 45.100 0.074 0.000 0.788 351 G HN 0.421 nan 8.290 nan 0.000 0.534 352 L N 0.675 121.985 121.223 0.145 0.000 2.610 352 L HA 0.211 4.551 4.340 -0.000 0.000 0.232 352 L C 2.695 179.646 176.870 0.135 0.000 1.149 352 L CA 0.957 55.876 54.840 0.132 0.000 0.872 352 L CB -0.000 42.142 42.059 0.138 0.000 0.992 352 L HN 0.237 nan 8.230 nan 0.000 0.447 353 S N 0.276 116.076 115.700 0.166 0.000 2.336 353 S HA 0.030 4.500 4.470 -0.000 0.000 0.216 353 S C -0.384 174.272 174.600 0.094 0.000 1.032 353 S CA 1.008 59.305 58.200 0.162 0.000 0.973 353 S CB -0.882 62.437 63.200 0.199 0.000 0.888 353 S HN 0.309 nan 8.310 nan 0.000 0.455 354 P HA -0.070 nan 4.420 nan 0.000 0.218 354 P C 1.487 178.809 177.300 0.036 0.000 1.148 354 P CA 0.938 64.064 63.100 0.043 0.000 0.822 354 P CB -0.330 31.389 31.700 0.031 0.000 0.784 355 I N -0.462 120.132 120.570 0.039 0.000 2.142 355 I HA -0.172 3.998 4.170 -0.000 0.000 0.240 355 I C 2.556 178.688 176.117 0.024 0.000 1.078 355 I CA 1.359 62.674 61.300 0.026 0.000 1.343 355 I CB -1.657 36.359 38.000 0.027 0.000 1.046 355 I HN -0.031 nan 8.210 nan 0.000 0.405 356 L N -0.047 121.198 121.223 0.036 0.000 2.478 356 L HA 0.108 4.448 4.340 -0.000 0.000 0.223 356 L C 1.335 178.225 176.870 0.033 0.000 1.140 356 L CA 0.571 55.429 54.840 0.030 0.000 0.842 356 L CB -0.554 41.526 42.059 0.035 0.000 0.953 356 L HN 0.553 nan 8.230 nan 0.000 0.452 357 G N 0.303 109.127 108.800 0.039 0.000 2.568 357 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.222 357 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.222 357 G C 0.236 175.165 174.900 0.047 0.000 1.321 357 G CA 0.176 45.298 45.100 0.036 0.000 0.893 357 G HN 0.177 nan 8.290 nan 0.000 0.569 358 K N 0.243 120.666 120.400 0.039 0.000 2.067 358 K HA 0.181 4.501 4.320 -0.000 0.000 0.203 358 K C 2.005 178.633 176.600 0.047 0.000 1.048 358 K CA 1.623 57.936 56.287 0.042 0.000 0.954 358 K CB -0.215 32.303 32.500 0.030 0.000 0.737 358 K HN 0.392 nan 8.250 nan 0.000 0.444 359 D N 1.330 121.755 120.400 0.042 0.000 2.087 359 D HA -0.161 4.479 4.640 -0.000 0.000 0.192 359 D C 1.473 177.813 176.300 0.066 0.000 0.993 359 D CA 1.493 55.520 54.000 0.045 0.000 0.828 359 D CB -0.593 40.230 40.800 0.038 0.000 0.968 359 D HN 0.293 nan 8.370 nan 0.000 0.448 360 N N -0.393 118.352 118.700 0.075 0.000 2.331 360 N HA -0.065 4.675 4.740 -0.000 0.000 0.180 360 N C 1.645 177.233 175.510 0.130 0.000 1.019 360 N CA 0.976 54.096 53.050 0.117 0.000 0.881 360 N CB 0.074 38.598 38.487 0.062 0.000 0.972 360 N HN 0.065 nan 8.380 nan 0.000 0.435 361 T N 1.358 115.968 114.554 0.094 0.000 2.674 361 T HA -0.067 4.283 4.350 -0.000 0.000 0.265 361 T C 1.931 176.678 174.700 0.078 0.000 1.039 361 T CA 0.922 63.081 62.100 0.098 0.000 1.150 361 T CB -0.273 68.673 68.868 0.130 0.000 0.864 361 T HN 0.180 nan 8.240 nan 0.000 0.427 362 I N 0.873 121.484 120.570 0.068 0.000 2.264 362 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 362 I C 2.671 178.788 176.117 0.000 0.000 1.111 362 I CA 1.429 62.754 61.300 0.041 0.000 1.382 362 I CB -0.346 37.675 38.000 0.034 0.000 1.060 362 I HN 0.316 nan 8.210 nan 0.000 0.418 363 E N -0.089 120.110 120.200 -0.001 0.000 2.086 363 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 363 E C 1.764 178.200 176.600 -0.274 0.000 0.975 363 E CA 1.160 57.488 56.400 -0.120 0.000 0.813 363 E CB 0.183 29.840 29.700 -0.071 0.000 0.768 363 E HN 0.604 nan 8.360 nan 0.000 0.457 364 H N -1.545 117.503 119.070 -0.038 0.000 2.800 364 H HA 0.244 4.800 4.556 -0.000 0.000 0.257 364 H C 1.479 176.732 175.328 -0.125 0.000 0.967 364 H CA 0.082 56.092 56.048 -0.063 0.000 1.192 364 H CB 0.643 30.378 29.762 -0.046 0.000 1.441 364 H HN 0.016 nan 8.280 nan 0.000 0.461 365 L N -0.011 121.182 121.223 -0.049 0.000 2.446 365 L HA 0.024 4.364 4.340 -0.000 0.000 0.219 365 L C 1.717 178.307 176.870 -0.467 0.000 1.116 365 L CA 0.183 54.834 54.840 -0.316 0.000 0.844 365 L CB 0.164 42.063 42.059 -0.267 0.000 0.970 365 L HN 0.198 nan 8.230 nan 0.000 0.457 366 L N 1.290 122.422 121.223 -0.151 0.000 2.005 366 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 366 L C -0.865 175.961 176.870 -0.074 0.000 1.072 366 L CA 1.817 56.635 54.840 -0.037 0.000 0.744 366 L CB -1.099 40.974 42.059 0.025 0.000 0.895 366 L HN 0.070 nan 8.230 nan 0.000 0.433 367 P HA -0.009 nan 4.420 nan 0.000 0.279 367 P C 0.602 177.840 177.300 -0.103 0.000 1.451 367 P CA 1.079 64.133 63.100 -0.076 0.000 0.783 367 P CB -0.118 31.536 31.700 -0.076 0.000 1.490 368 L N -3.953 117.163 121.223 -0.179 0.000 2.860 368 L HA 0.197 4.537 4.340 -0.000 0.000 0.251 368 L C 1.370 178.154 176.870 -0.143 0.000 1.041 368 L CA 0.159 54.873 54.840 -0.211 0.000 0.985 368 L CB -0.182 41.681 42.059 -0.326 0.000 1.656 368 L HN -0.121 nan 8.230 nan 0.000 0.526 369 F N 0.754 120.703 119.950 -0.002 0.000 2.259 369 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 369 F C 2.205 177.996 175.800 -0.014 0.000 1.088 369 F CA 0.933 58.927 58.000 -0.011 0.000 1.358 369 F CB -0.640 38.355 39.000 -0.010 0.000 1.040 369 F HN -0.066 nan 8.300 nan 0.000 0.505 370 L N -0.453 120.857 121.223 0.145 0.000 2.027 370 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 370 L C 2.741 179.639 176.870 0.047 0.000 1.074 370 L CA 1.188 56.075 54.840 0.079 0.000 0.745 370 L CB -1.048 41.042 42.059 0.051 0.000 0.898 370 L HN 0.115 nan 8.230 nan 0.000 0.433 371 A N -0.545 122.289 122.820 0.024 0.000 1.883 371 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 371 A C 2.227 179.821 177.584 0.016 0.000 1.186 371 A CA 1.915 53.957 52.037 0.009 0.000 0.624 371 A CB -0.606 18.387 19.000 -0.012 0.000 0.822 371 A HN 0.452 nan 8.150 nan 0.000 0.444 372 Q N -1.420 118.398 119.800 0.031 0.000 2.224 372 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 372 Q C 1.875 177.894 176.000 0.031 0.000 0.970 372 Q CA 0.806 56.630 55.803 0.035 0.000 0.865 372 Q CB -0.114 28.665 28.738 0.069 0.000 0.922 372 Q HN 0.494 nan 8.270 nan 0.000 0.445 373 L N 1.196 122.445 121.223 0.043 0.000 2.027 373 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 373 L C 1.459 178.336 176.870 0.012 0.000 1.074 373 L CA 1.924 56.778 54.840 0.023 0.000 0.745 373 L CB -0.455 41.624 42.059 0.033 0.000 0.898 373 L HN 0.171 nan 8.230 nan 0.000 0.433 374 K N -0.482 119.928 120.400 0.016 0.000 2.911 374 K HA 0.094 4.414 4.320 -0.000 0.000 0.239 374 K C -0.034 176.570 176.600 0.005 0.000 1.090 374 K CA -0.217 56.077 56.287 0.012 0.000 1.225 374 K CB -0.362 32.147 32.500 0.015 0.000 1.087 374 K HN 0.095 nan 8.250 nan 0.000 0.464 375 D N 1.079 121.480 120.400 0.000 0.000 2.362 375 D HA -0.029 4.611 4.640 -0.000 0.000 0.242 375 D C 0.929 177.226 176.300 -0.006 0.000 1.132 375 D CA -0.079 53.918 54.000 -0.005 0.000 0.907 375 D CB 1.223 42.016 40.800 -0.011 0.000 1.195 375 D HN 0.247 nan 8.370 nan 0.000 0.429 376 E N 0.930 121.126 120.200 -0.006 0.000 2.058 376 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 376 E C 0.229 176.824 176.600 -0.009 0.000 0.997 376 E CA 0.694 57.091 56.400 -0.004 0.000 0.801 376 E CB -0.073 29.625 29.700 -0.003 0.000 0.746 376 E HN 0.451 nan 8.360 nan 0.000 0.450 377 C N 2.054 121.345 119.300 -0.016 0.000 2.576 377 C HA 0.192 4.652 4.460 -0.000 0.000 0.401 377 C C -1.157 173.812 174.990 -0.035 0.000 1.314 377 C CA -1.742 57.261 59.018 -0.026 0.000 1.855 377 C CB 0.428 28.147 27.740 -0.036 0.000 2.537 377 C HN 0.338 nan 8.230 nan 0.000 0.578 378 P HA -0.169 nan 4.420 nan 0.000 0.216 378 P C 1.220 178.477 177.300 -0.072 0.000 1.150 378 P CA 1.587 64.657 63.100 -0.050 0.000 0.837 378 P CB 0.011 31.681 31.700 -0.048 0.000 0.786 379 E N -0.343 119.808 120.200 -0.081 0.000 2.285 379 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 379 E C 1.936 178.481 176.600 -0.092 0.000 0.997 379 E CA 0.336 56.677 56.400 -0.099 0.000 0.845 379 E CB -0.041 29.588 29.700 -0.118 0.000 0.782 379 E HN -0.006 nan 8.360 nan 0.000 0.491 380 V N 2.142 122.008 119.914 -0.079 0.000 2.261 380 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 380 V C 2.566 178.628 176.094 -0.054 0.000 1.047 380 V CA 2.376 64.637 62.300 -0.065 0.000 1.015 380 V CB -0.605 31.189 31.823 -0.048 0.000 0.642 380 V HN 0.367 nan 8.190 nan 0.000 0.446 381 R N 0.282 120.752 120.500 -0.050 0.000 2.115 381 R HA -0.117 4.223 4.340 -0.000 0.000 0.230 381 R C 2.176 178.431 176.300 -0.074 0.000 1.111 381 R CA 1.472 57.542 56.100 -0.050 0.000 0.976 381 R CB -0.745 29.531 30.300 -0.041 0.000 0.870 381 R HN 0.410 nan 8.270 nan 0.000 0.445 382 L N 2.069 123.240 121.223 -0.086 0.000 2.191 382 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 382 L C 1.116 177.929 176.870 -0.096 0.000 1.103 382 L CA 1.644 56.421 54.840 -0.105 0.000 0.769 382 L CB -0.438 41.549 42.059 -0.120 0.000 0.908 382 L HN 0.226 nan 8.230 nan 0.000 0.438 383 N N -1.105 117.547 118.700 -0.080 0.000 2.415 383 N HA 0.016 4.756 4.740 -0.000 0.000 0.176 383 N C 1.751 177.221 175.510 -0.067 0.000 1.042 383 N CA 0.696 53.707 53.050 -0.066 0.000 0.902 383 N CB 0.149 38.601 38.487 -0.058 0.000 0.986 383 N HN 0.263 nan 8.380 nan 0.000 0.447 384 I N 1.531 122.059 120.570 -0.070 0.000 2.162 384 I HA -0.118 4.052 4.170 -0.000 0.000 0.238 384 I C 1.973 177.995 176.117 -0.158 0.000 1.076 384 I CA 0.776 62.022 61.300 -0.089 0.000 1.353 384 I CB -0.663 37.310 38.000 -0.045 0.000 1.063 384 I HN -0.015 nan 8.210 nan 0.000 0.408 385 I N 0.638 121.111 120.570 -0.162 0.000 2.423 385 I HA -0.246 3.924 4.170 -0.000 0.000 0.254 385 I C 2.774 178.753 176.117 -0.230 0.000 1.151 385 I CA 1.203 62.362 61.300 -0.234 0.000 1.421 385 I CB -1.398 36.482 38.000 -0.200 0.000 1.079 385 I HN 0.222 nan 8.210 nan 0.000 0.431 386 S N 0.508 116.120 115.700 -0.146 0.000 2.402 386 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 386 S C 1.633 176.186 174.600 -0.079 0.000 1.021 386 S CA 1.347 59.490 58.200 -0.095 0.000 0.974 386 S CB -0.331 62.830 63.200 -0.065 0.000 0.800 386 S HN 0.576 nan 8.310 nan 0.000 0.484 387 N N -0.180 118.453 118.700 -0.112 0.000 2.203 387 N HA 0.275 5.015 4.740 -0.000 0.000 0.207 387 N C 1.190 176.622 175.510 -0.130 0.000 1.130 387 N CA -0.100 52.893 53.050 -0.094 0.000 0.861 387 N CB 0.074 38.509 38.487 -0.086 0.000 1.005 387 N HN 0.323 nan 8.380 nan 0.000 0.507 388 L N 0.954 122.068 121.223 -0.181 0.000 2.189 388 L HA -0.235 4.105 4.340 -0.000 0.000 0.214 388 L C 1.492 178.382 176.870 0.033 0.000 1.097 388 L CA 1.093 55.825 54.840 -0.180 0.000 0.764 388 L CB -0.333 41.465 42.059 -0.436 0.000 0.900 388 L HN 0.335 nan 8.230 nan 0.000 0.436 389 D N -0.931 119.542 120.400 0.121 0.000 2.149 389 D HA -0.259 4.381 4.640 -0.000 0.000 0.198 389 D C 2.185 178.505 176.300 0.034 0.000 0.990 389 D CA 1.517 55.587 54.000 0.117 0.000 0.839 389 D CB -0.630 40.221 40.800 0.086 0.000 0.948 389 D HN 0.433 nan 8.370 nan 0.000 0.460 390 C N 0.789 120.087 119.300 -0.003 0.000 2.446 390 C HA -0.009 4.451 4.460 -0.000 0.000 0.279 390 C C 2.751 177.730 174.990 -0.018 0.000 1.366 390 C CA 0.172 59.182 59.018 -0.013 0.000 1.763 390 C CB -0.857 26.871 27.740 -0.021 0.000 1.929 390 C HN 0.131 nan 8.230 nan 0.000 0.509 391 V N 0.635 120.519 119.914 -0.050 0.000 3.235 391 V HA -0.047 4.073 4.120 -0.000 0.000 0.259 391 V C 1.993 178.088 176.094 0.002 0.000 1.133 391 V CA 1.852 64.131 62.300 -0.036 0.000 1.128 391 V CB -0.802 30.949 31.823 -0.120 0.000 0.757 391 V HN 0.591 nan 8.190 nan 0.000 0.469 392 N N 0.034 118.744 118.700 0.017 0.000 2.376 392 N HA -0.114 4.626 4.740 -0.000 0.000 0.177 392 N C 1.884 177.396 175.510 0.003 0.000 1.024 392 N CA 0.692 53.757 53.050 0.025 0.000 0.893 392 N CB 0.181 38.702 38.487 0.057 0.000 0.980 392 N HN 0.511 nan 8.380 nan 0.000 0.439 393 E N -0.561 119.640 120.200 0.002 0.000 2.107 393 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 393 E C 0.884 177.482 176.600 -0.003 0.000 0.982 393 E CA 0.991 57.387 56.400 -0.006 0.000 0.809 393 E CB 0.377 30.074 29.700 -0.004 0.000 0.756 393 E HN 0.211 nan 8.360 nan 0.000 0.459 394 V N 0.472 120.389 119.914 0.005 0.000 3.635 394 V HA 0.226 4.346 4.120 -0.000 0.000 0.266 394 V C 0.941 177.044 176.094 0.014 0.000 1.316 394 V CA -0.045 62.260 62.300 0.009 0.000 1.060 394 V CB 0.789 32.620 31.823 0.015 0.000 0.820 394 V HN 0.111 nan 8.190 nan 0.000 0.447 395 I N 1.980 122.561 120.570 0.018 0.000 2.336 395 I HA 0.495 4.665 4.170 -0.000 0.000 0.292 395 I C 1.117 177.240 176.117 0.010 0.000 0.991 395 I CA -0.389 60.925 61.300 0.022 0.000 1.227 395 I CB 1.459 39.484 38.000 0.042 0.000 1.366 395 I HN 0.317 nan 8.210 nan 0.000 0.466 396 G N 5.272 114.075 108.800 0.005 0.000 2.257 396 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.235 396 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.235 396 G C 0.774 175.666 174.900 -0.013 0.000 1.225 396 G CA -0.049 45.046 45.100 -0.007 0.000 0.878 396 G HN 0.756 nan 8.290 nan 0.000 0.505 397 I N 1.393 121.946 120.570 -0.029 0.000 2.614 397 I HA -0.039 4.131 4.170 -0.000 0.000 0.258 397 I C 2.631 178.714 176.117 -0.056 0.000 1.189 397 I CA 0.926 62.200 61.300 -0.043 0.000 1.462 397 I CB 0.068 38.029 38.000 -0.065 0.000 1.092 397 I HN 0.523 nan 8.210 nan 0.000 0.442 398 R N -0.087 120.382 120.500 -0.051 0.000 2.115 398 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 398 R C 2.110 178.390 176.300 -0.032 0.000 1.100 398 R CA 1.082 57.149 56.100 -0.054 0.000 0.980 398 R CB -0.190 30.084 30.300 -0.043 0.000 0.875 398 R HN 0.329 nan 8.270 nan 0.000 0.445 399 Q N -0.348 119.444 119.800 -0.014 0.000 2.331 399 Q HA -0.007 4.333 4.340 -0.000 0.000 0.203 399 Q C 1.689 177.697 176.000 0.013 0.000 0.944 399 Q CA 0.437 56.242 55.803 0.003 0.000 0.892 399 Q CB 0.042 28.787 28.738 0.012 0.000 0.983 399 Q HN 0.284 nan 8.270 nan 0.000 0.482 400 L N 0.048 121.275 121.223 0.007 0.000 2.093 400 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 400 L C 1.922 178.805 176.870 0.022 0.000 1.085 400 L CA 1.553 56.406 54.840 0.022 0.000 0.755 400 L CB -0.563 41.507 42.059 0.019 0.000 0.904 400 L HN 0.097 nan 8.230 nan 0.000 0.435 401 S N -1.039 114.656 115.700 -0.007 0.000 2.496 401 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 401 S C 1.715 176.326 174.600 0.020 0.000 0.996 401 S CA 0.919 59.114 58.200 -0.008 0.000 0.927 401 S CB 0.135 63.276 63.200 -0.098 0.000 0.774 401 S HN 0.599 nan 8.310 nan 0.000 0.524 402 Q N 0.314 120.124 119.800 0.017 0.000 2.245 402 Q HA 0.188 4.528 4.340 -0.000 0.000 0.201 402 Q C 1.802 177.823 176.000 0.036 0.000 0.955 402 Q CA 1.582 57.401 55.803 0.026 0.000 0.870 402 Q CB -0.161 28.587 28.738 0.017 0.000 0.945 402 Q HN 0.399 nan 8.270 nan 0.000 0.461 403 S N -1.327 114.397 115.700 0.040 0.000 2.979 403 S HA 0.268 4.738 4.470 -0.000 0.000 0.243 403 S C 1.462 176.095 174.600 0.055 0.000 1.036 403 S CA -0.021 58.206 58.200 0.046 0.000 0.846 403 S CB -0.038 63.190 63.200 0.046 0.000 0.806 403 S HN 0.300 nan 8.310 nan 0.000 0.568 404 L N 2.059 123.318 121.223 0.060 0.000 2.044 404 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 404 L C 2.394 179.302 176.870 0.065 0.000 1.075 404 L CA 0.655 55.531 54.840 0.060 0.000 0.747 404 L CB -0.438 41.652 42.059 0.051 0.000 0.903 404 L HN 0.303 nan 8.230 nan 0.000 0.435 405 L N 1.048 122.317 121.223 0.077 0.000 2.010 405 L HA -0.210 4.130 4.340 -0.000 0.000 0.219 405 L C -0.122 176.811 176.870 0.104 0.000 1.077 405 L CA 2.645 57.547 54.840 0.104 0.000 0.773 405 L CB -1.986 40.142 42.059 0.114 0.000 0.892 405 L HN 0.154 nan 8.230 nan 0.000 0.436 406 P HA -0.147 nan 4.420 nan 0.000 0.216 406 P C 1.451 178.793 177.300 0.070 0.000 1.150 406 P CA 2.088 65.235 63.100 0.079 0.000 0.843 406 P CB -0.098 31.641 31.700 0.065 0.000 0.787 407 A N -0.990 121.868 122.820 0.063 0.000 1.975 407 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 407 A C 2.041 179.658 177.584 0.055 0.000 1.170 407 A CA 0.907 52.976 52.037 0.053 0.000 0.656 407 A CB -1.153 17.874 19.000 0.045 0.000 0.821 407 A HN 0.019 nan 8.150 nan 0.000 0.449 408 I N -0.014 120.594 120.570 0.063 0.000 2.252 408 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 408 I C 2.390 178.575 176.117 0.113 0.000 1.102 408 I CA 1.137 62.477 61.300 0.067 0.000 1.385 408 I CB -1.360 36.688 38.000 0.081 0.000 1.064 408 I HN 0.117 nan 8.210 nan 0.000 0.414 409 V N 0.851 120.841 119.914 0.126 0.000 2.515 409 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 409 V C 2.560 178.727 176.094 0.121 0.000 1.058 409 V CA 1.672 64.056 62.300 0.141 0.000 1.064 409 V CB -0.596 31.300 31.823 0.122 0.000 0.675 409 V HN 0.436 nan 8.190 nan 0.000 0.461 410 E N -0.237 120.019 120.200 0.093 0.000 2.106 410 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 410 E C 2.026 178.681 176.600 0.091 0.000 0.984 410 E CA 1.004 57.451 56.400 0.078 0.000 0.806 410 E CB 0.015 29.750 29.700 0.058 0.000 0.750 410 E HN 0.416 nan 8.360 nan 0.000 0.458 411 L N 0.349 121.627 121.223 0.090 0.000 2.240 411 L HA 0.031 4.371 4.340 -0.000 0.000 0.211 411 L C 2.107 179.058 176.870 0.135 0.000 1.106 411 L CA 1.223 56.113 54.840 0.083 0.000 0.793 411 L CB -0.541 41.544 42.059 0.043 0.000 0.927 411 L HN 0.110 nan 8.230 nan 0.000 0.446 412 A N -1.072 121.875 122.820 0.213 0.000 2.259 412 A HA -0.089 4.231 4.320 -0.000 0.000 0.212 412 A C 1.244 179.107 177.584 0.464 0.000 1.178 412 A CA 1.152 53.434 52.037 0.409 0.000 0.734 412 A CB -0.338 18.992 19.000 0.550 0.000 0.774 412 A HN 0.381 nan 8.150 nan 0.000 0.481 413 E N -0.029 120.330 120.200 0.264 0.000 3.254 413 E HA 0.071 4.421 4.350 -0.000 0.000 0.184 413 E C -1.146 175.543 176.600 0.149 0.000 0.967 413 E CA -0.319 56.214 56.400 0.223 0.000 1.311 413 E CB 0.008 29.797 29.700 0.149 0.000 1.071 413 E HN 0.536 nan 8.360 nan 0.000 0.456 414 D N 0.274 120.751 120.400 0.129 0.000 2.368 414 D HA 0.195 4.835 4.640 -0.000 0.000 0.240 414 D C 1.328 177.685 176.300 0.095 0.000 1.169 414 D CA 0.406 54.458 54.000 0.087 0.000 0.906 414 D CB 1.371 42.203 40.800 0.053 0.000 1.187 414 D HN 0.066 nan 8.370 nan 0.000 0.435 415 A N 3.260 126.127 122.820 0.078 0.000 1.908 415 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 415 A C 0.844 178.495 177.584 0.111 0.000 1.181 415 A CA 1.187 53.278 52.037 0.089 0.000 0.627 415 A CB -0.344 18.697 19.000 0.068 0.000 0.818 415 A HN 0.433 nan 8.150 nan 0.000 0.445 416 K N 0.967 121.412 120.400 0.076 0.000 2.297 416 K HA 0.048 4.368 4.320 -0.000 0.000 0.286 416 K C 0.994 177.638 176.600 0.073 0.000 1.053 416 K CA -0.323 56.002 56.287 0.063 0.000 0.940 416 K CB 0.456 32.935 32.500 -0.034 0.000 1.019 416 K HN 0.762 nan 8.250 nan 0.000 0.475 417 W N 4.513 125.814 121.300 0.000 0.000 2.436 417 W HA -0.058 4.602 4.660 -0.000 0.000 0.284 417 W C 0.933 177.428 176.519 -0.041 0.000 1.225 417 W CA 0.128 57.463 57.345 -0.017 0.000 1.271 417 W CB -0.425 29.031 29.460 -0.007 0.000 1.114 417 W HN 0.425 nan 8.180 nan 0.000 0.559 418 R N 1.320 121.259 120.500 -0.935 0.000 2.091 418 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 418 R C 2.321 178.384 176.300 -0.394 0.000 1.136 418 R CA 1.758 57.331 56.100 -0.879 0.000 0.959 418 R CB -1.064 28.735 30.300 -0.836 0.000 0.856 418 R HN 0.203 nan 8.270 nan 0.000 0.437 419 V N 0.980 120.739 119.914 -0.258 0.000 2.261 419 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 419 V C 2.580 178.602 176.094 -0.120 0.000 1.047 419 V CA 1.722 63.933 62.300 -0.150 0.000 1.015 419 V CB -0.483 31.288 31.823 -0.087 0.000 0.642 419 V HN 0.322 nan 8.190 nan 0.000 0.446 420 R N -0.551 119.898 120.500 -0.084 0.000 2.082 420 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 420 R C 2.387 178.553 176.300 -0.223 0.000 1.136 420 R CA 1.993 58.037 56.100 -0.093 0.000 0.935 420 R CB -0.711 29.577 30.300 -0.020 0.000 0.842 420 R HN 0.431 nan 8.270 nan 0.000 0.430 421 L N 0.641 121.756 121.223 -0.180 0.000 2.189 421 L HA -0.233 4.107 4.340 -0.000 0.000 0.214 421 L C 2.318 179.082 176.870 -0.178 0.000 1.097 421 L CA 1.548 56.279 54.840 -0.182 0.000 0.764 421 L CB -0.270 41.750 42.059 -0.065 0.000 0.900 421 L HN 0.228 nan 8.230 nan 0.000 0.436 422 A N 0.043 122.766 122.820 -0.162 0.000 1.902 422 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 422 A C 2.058 179.584 177.584 -0.096 0.000 1.181 422 A CA 1.734 53.697 52.037 -0.124 0.000 0.623 422 A CB -0.588 18.331 19.000 -0.135 0.000 0.818 422 A HN 0.450 nan 8.150 nan 0.000 0.443 423 I N -0.010 120.494 120.570 -0.110 0.000 2.315 423 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 423 I C 2.278 178.376 176.117 -0.032 0.000 1.117 423 I CA 1.239 62.524 61.300 -0.026 0.000 1.404 423 I CB -1.144 36.886 38.000 0.051 0.000 1.071 423 I HN 0.308 nan 8.210 nan 0.000 0.419 424 I N 0.721 121.101 120.570 -0.317 0.000 2.439 424 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 424 I C 2.294 178.345 176.117 -0.110 0.000 1.139 424 I CA 0.929 61.980 61.300 -0.415 0.000 1.438 424 I CB -0.356 37.205 38.000 -0.732 0.000 1.085 424 I HN 0.136 nan 8.210 nan 0.000 0.427 425 E N 0.076 120.241 120.200 -0.058 0.000 2.401 425 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 425 E C 1.566 178.218 176.600 0.088 0.000 1.023 425 E CA 1.002 57.410 56.400 0.012 0.000 0.859 425 E CB -0.022 29.684 29.700 0.010 0.000 0.780 425 E HN 0.595 nan 8.360 nan 0.000 0.523 426 Y N -1.602 118.675 120.300 -0.039 0.000 2.426 426 Y HA 0.141 4.691 4.550 -0.000 0.000 0.249 426 Y C 1.502 177.410 175.900 0.014 0.000 1.103 426 Y CA -0.164 57.927 58.100 -0.015 0.000 1.256 426 Y CB 0.365 38.815 38.460 -0.016 0.000 1.208 426 Y HN 0.003 nan 8.280 nan 0.000 0.519 427 M N 0.858 120.508 119.600 0.084 0.000 2.159 427 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 427 M C -0.858 175.396 176.300 -0.077 0.000 1.063 427 M CA 1.239 56.582 55.300 0.072 0.000 1.110 427 M CB -2.023 30.719 32.600 0.236 0.000 1.374 427 M HN 0.121 nan 8.290 nan 0.000 0.411 428 P HA -0.161 nan 4.420 nan 0.000 0.214 428 P C 1.954 179.149 177.300 -0.175 0.000 1.163 428 P CA 1.026 64.069 63.100 -0.096 0.000 0.889 428 P CB -0.109 31.558 31.700 -0.054 0.000 0.790 429 L N -1.249 119.817 121.223 -0.261 0.000 2.017 429 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 429 L C 2.452 179.119 176.870 -0.337 0.000 1.073 429 L CA 1.748 56.391 54.840 -0.329 0.000 0.745 429 L CB -1.533 40.253 42.059 -0.455 0.000 0.894 429 L HN 0.034 nan 8.230 nan 0.000 0.432 430 L N -0.060 120.911 121.223 -0.420 0.000 2.046 430 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 430 L C 1.778 178.587 176.870 -0.102 0.000 1.077 430 L CA 1.421 56.134 54.840 -0.211 0.000 0.747 430 L CB -0.146 41.888 42.059 -0.042 0.000 0.896 430 L HN 0.198 nan 8.230 nan 0.000 0.432 431 A N -1.365 121.372 122.820 -0.138 0.000 2.988 431 A HA 0.496 4.816 4.320 -0.000 0.000 0.288 431 A C 0.999 178.479 177.584 -0.174 0.000 1.385 431 A CA 0.341 52.280 52.037 -0.164 0.000 1.001 431 A CB -0.421 18.243 19.000 -0.560 0.000 1.071 431 A HN 0.540 nan 8.150 nan 0.000 0.608 432 G N -1.702 106.988 108.800 -0.183 0.000 2.570 432 G HA2 0.042 4.002 3.960 -0.000 0.000 0.213 432 G HA3 0.042 4.002 3.960 -0.000 0.000 0.213 432 G C 0.925 175.691 174.900 -0.224 0.000 1.391 432 G CA 0.048 44.994 45.100 -0.257 0.000 0.533 432 G HN 0.230 nan 8.290 nan 0.000 1.072 433 Q N 0.403 120.098 119.800 -0.174 0.000 2.515 433 Q HA 0.233 4.573 4.340 -0.000 0.000 0.214 433 Q C 1.366 177.288 176.000 -0.129 0.000 0.971 433 Q CA 0.373 56.090 55.803 -0.144 0.000 0.952 433 Q CB 0.599 29.261 28.738 -0.127 0.000 0.999 433 Q HN 0.548 nan 8.270 nan 0.000 0.524 434 L N -2.717 118.430 121.223 -0.127 0.000 2.463 434 L HA 0.289 4.629 4.340 -0.000 0.000 0.208 434 L C 0.452 177.278 176.870 -0.073 0.000 1.082 434 L CA 0.857 55.620 54.840 -0.128 0.000 0.997 434 L CB -0.283 41.691 42.059 -0.142 0.000 1.953 434 L HN -0.004 nan 8.230 nan 0.000 0.499 435 G N 1.761 110.587 108.800 0.043 0.000 3.064 435 G HA2 0.343 4.303 3.960 -0.000 0.000 0.286 435 G HA3 0.343 4.303 3.960 -0.000 0.000 0.286 435 G C 0.816 175.819 174.900 0.172 0.000 0.834 435 G CA 0.472 45.736 45.100 0.273 0.000 1.856 435 G HN 0.201 nan 8.290 nan 0.000 0.559 436 V N 1.888 121.842 119.914 0.067 0.000 2.216 436 V HA -0.083 4.037 4.120 -0.000 0.000 0.242 436 V C 1.979 178.151 176.094 0.131 0.000 1.042 436 V CA 2.273 64.569 62.300 -0.007 0.000 0.991 436 V CB -0.058 31.746 31.823 -0.032 0.000 0.633 436 V HN 0.618 nan 8.190 nan 0.000 0.449 437 E N -1.469 118.815 120.200 0.140 0.000 2.431 437 E HA 0.046 4.396 4.350 -0.000 0.000 0.200 437 E C 1.744 178.437 176.600 0.155 0.000 0.995 437 E CA 0.485 56.955 56.400 0.116 0.000 0.915 437 E CB 0.206 29.948 29.700 0.070 0.000 0.930 437 E HN 0.705 nan 8.360 nan 0.000 0.496 438 F N 1.029 121.029 119.950 0.083 0.000 2.134 438 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 438 F C 1.896 177.776 175.800 0.134 0.000 1.097 438 F CA 1.393 59.446 58.000 0.089 0.000 1.264 438 F CB -0.132 38.920 39.000 0.087 0.000 1.001 438 F HN 0.017 nan 8.300 nan 0.000 0.479 439 F N 1.800 121.896 119.950 0.243 0.000 2.084 439 F HA -0.193 4.334 4.527 -0.000 0.000 0.296 439 F C 2.183 178.008 175.800 0.041 0.000 1.111 439 F CA 1.527 59.631 58.000 0.174 0.000 1.224 439 F CB -0.656 38.508 39.000 0.274 0.000 0.991 439 F HN 0.106 nan 8.300 nan 0.000 0.471 440 D N 0.471 120.659 120.400 -0.355 0.000 2.396 440 D HA -0.110 4.530 4.640 -0.000 0.000 0.255 440 D C 0.729 176.878 176.300 -0.252 0.000 1.224 440 D CA 0.957 54.721 54.000 -0.394 0.000 0.894 440 D CB -0.348 40.473 40.800 0.035 0.000 0.939 440 D HN 0.780 nan 8.370 nan 0.000 0.506 441 E N -0.933 119.095 120.200 -0.287 0.000 2.640 441 E HA 0.064 4.414 4.350 -0.000 0.000 0.197 441 E C 1.509 177.936 176.600 -0.289 0.000 0.925 441 E CA -0.271 55.984 56.400 -0.241 0.000 1.604 441 E CB -0.008 29.580 29.700 -0.186 0.000 1.769 441 E HN 0.033 nan 8.360 nan 0.000 0.965 442 K N -0.247 119.924 120.400 -0.382 0.000 2.365 442 K HA 0.392 4.712 4.320 -0.000 0.000 0.195 442 K C 0.787 177.268 176.600 -0.198 0.000 1.079 442 K CA 0.515 56.578 56.287 -0.374 0.000 0.979 442 K CB 0.469 32.501 32.500 -0.780 0.000 0.929 442 K HN 0.157 nan 8.250 nan 0.000 0.523 443 L N 0.355 121.475 121.223 -0.172 0.000 3.039 443 L HA 0.271 4.611 4.340 -0.000 0.000 0.269 443 L C 1.231 177.983 176.870 -0.198 0.000 1.169 443 L CA 0.070 54.889 54.840 -0.035 0.000 0.986 443 L CB 0.203 42.468 42.059 0.344 0.000 1.377 443 L HN 0.127 nan 8.230 nan 0.000 0.575 444 N N 0.345 118.759 118.700 -0.477 0.000 2.018 444 N HA -0.228 4.512 4.740 -0.000 0.000 0.196 444 N C 1.626 176.972 175.510 -0.273 0.000 1.043 444 N CA 2.392 55.139 53.050 -0.506 0.000 0.856 444 N CB -0.136 38.079 38.487 -0.453 0.000 1.042 444 N HN 0.165 nan 8.380 nan 0.000 0.423 445 S N -0.474 115.086 115.700 -0.234 0.000 2.547 445 S HA -0.001 4.469 4.470 -0.000 0.000 0.235 445 S C 1.563 176.025 174.600 -0.231 0.000 0.980 445 S CA 0.386 58.467 58.200 -0.198 0.000 0.941 445 S CB -0.202 62.902 63.200 -0.161 0.000 0.763 445 S HN 0.405 nan 8.310 nan 0.000 0.532 446 L N 0.425 121.490 121.223 -0.264 0.000 2.168 446 L HA 0.188 4.528 4.340 -0.000 0.000 0.203 446 L C 2.258 178.687 176.870 -0.735 0.000 1.078 446 L CA 1.298 55.902 54.840 -0.392 0.000 0.780 446 L CB -0.888 41.013 42.059 -0.264 0.000 0.939 446 L HN 0.324 nan 8.230 nan 0.000 0.451 447 C N -0.414 118.590 119.300 -0.493 0.000 2.432 447 C HA -0.079 4.381 4.460 -0.000 0.000 0.280 447 C C 2.698 177.545 174.990 -0.239 0.000 1.353 447 C CA 1.126 59.877 59.018 -0.445 0.000 1.766 447 C CB -0.570 27.306 27.740 0.226 0.000 1.924 447 C HN 0.704 nan 8.230 nan 0.000 0.509 448 M N 0.437 119.913 119.600 -0.205 0.000 2.334 448 M HA 0.208 4.688 4.480 -0.000 0.000 0.266 448 M C 2.080 178.317 176.300 -0.106 0.000 1.082 448 M CA 1.581 56.821 55.300 -0.100 0.000 1.141 448 M CB -0.347 32.185 32.600 -0.113 0.000 1.380 448 M HN 0.255 nan 8.290 nan 0.000 0.440 449 A N -0.757 121.929 122.820 -0.224 0.000 2.178 449 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 449 A C 1.567 179.126 177.584 -0.042 0.000 1.157 449 A CA 1.032 52.972 52.037 -0.163 0.000 0.689 449 A CB -1.153 17.715 19.000 -0.219 0.000 0.787 449 A HN 0.763 nan 8.150 nan 0.000 0.465 450 W N -0.776 120.527 121.300 0.006 0.000 2.519 450 W HA 0.056 4.716 4.660 -0.000 0.000 0.266 450 W C 1.253 177.746 176.519 -0.043 0.000 1.253 450 W CA 0.369 57.713 57.345 -0.003 0.000 1.274 450 W CB -0.752 28.720 29.460 0.020 0.000 1.114 450 W HN 0.277 nan 8.180 nan 0.000 0.596 451 L N -0.619 120.695 121.223 0.152 0.000 2.376 451 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 451 L C 1.983 178.846 176.870 -0.012 0.000 1.133 451 L CA 1.045 55.906 54.840 0.036 0.000 0.816 451 L CB -0.966 41.108 42.059 0.025 0.000 0.933 451 L HN -0.244 nan 8.230 nan 0.000 0.449 452 V N -1.341 118.592 119.914 0.033 0.000 3.483 452 V HA 0.127 4.247 4.120 -0.000 0.000 0.301 452 V C 0.533 176.661 176.094 0.057 0.000 1.389 452 V CA -0.211 62.137 62.300 0.080 0.000 1.101 452 V CB -0.175 31.683 31.823 0.060 0.000 0.971 452 V HN 0.260 nan 8.190 nan 0.000 0.434 453 D N -0.297 120.116 120.400 0.022 0.000 2.400 453 D HA -0.042 4.598 4.640 -0.000 0.000 0.238 453 D C 1.128 177.422 176.300 -0.011 0.000 1.157 453 D CA 0.339 54.358 54.000 0.032 0.000 0.889 453 D CB 0.797 41.650 40.800 0.087 0.000 1.199 453 D HN 0.281 nan 8.370 nan 0.000 0.436 454 H N 1.129 120.215 119.070 0.026 0.000 2.502 454 H HA 0.045 4.601 4.556 -0.000 0.000 0.283 454 H C 0.232 175.515 175.328 -0.074 0.000 1.015 454 H CA 0.287 56.334 56.048 -0.001 0.000 1.298 454 H CB 0.170 29.951 29.762 0.032 0.000 1.411 454 H HN 0.099 nan 8.280 nan 0.000 0.556 455 V N 1.066 121.000 119.914 0.033 0.000 2.498 455 V HA 0.006 4.126 4.120 -0.000 0.000 0.279 455 V C 1.248 177.257 176.094 -0.142 0.000 1.048 455 V CA -0.333 61.900 62.300 -0.111 0.000 0.967 455 V CB 0.894 32.588 31.823 -0.215 0.000 0.988 455 V HN 0.281 nan 8.190 nan 0.000 0.473 456 Y N 6.522 126.654 120.300 -0.280 0.000 2.070 456 Y HA -0.183 4.367 4.550 -0.000 0.000 0.280 456 Y C 2.257 178.017 175.900 -0.235 0.000 1.148 456 Y CA 2.955 60.894 58.100 -0.269 0.000 1.125 456 Y CB -0.508 37.796 38.460 -0.261 0.000 0.975 456 Y HN 0.760 nan 8.280 nan 0.000 0.492 457 A N 0.568 123.305 122.820 -0.138 0.000 2.042 457 A HA -0.239 4.081 4.320 -0.000 0.000 0.222 457 A C 2.077 179.607 177.584 -0.091 0.000 1.167 457 A CA 2.067 54.053 52.037 -0.086 0.000 0.649 457 A CB -1.049 17.862 19.000 -0.147 0.000 0.809 457 A HN 0.584 nan 8.150 nan 0.000 0.457 458 I N -0.731 119.775 120.570 -0.107 0.000 2.202 458 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 458 I C 2.487 178.515 176.117 -0.148 0.000 1.091 458 I CA 1.495 62.745 61.300 -0.084 0.000 1.368 458 I CB -1.462 36.526 38.000 -0.021 0.000 1.058 458 I HN 0.307 nan 8.210 nan 0.000 0.410 459 R N 0.673 121.012 120.500 -0.269 0.000 2.127 459 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 459 R C 2.221 178.302 176.300 -0.364 0.000 1.134 459 R CA 1.307 57.206 56.100 -0.335 0.000 0.975 459 R CB -0.301 29.686 30.300 -0.521 0.000 0.865 459 R HN 0.454 nan 8.270 nan 0.000 0.447 460 E N 0.088 119.990 120.200 -0.496 0.000 2.107 460 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 460 E C 1.819 178.367 176.600 -0.087 0.000 0.982 460 E CA 0.953 57.185 56.400 -0.280 0.000 0.809 460 E CB 0.037 29.599 29.700 -0.229 0.000 0.756 460 E HN 0.397 nan 8.360 nan 0.000 0.459 461 A N 0.916 123.686 122.820 -0.084 0.000 1.929 461 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 461 A C 2.289 179.857 177.584 -0.028 0.000 1.176 461 A CA 1.344 53.352 52.037 -0.048 0.000 0.628 461 A CB -0.425 18.527 19.000 -0.081 0.000 0.816 461 A HN 0.358 nan 8.150 nan 0.000 0.444 462 A N -1.030 121.781 122.820 -0.014 0.000 1.968 462 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 462 A C 2.265 179.900 177.584 0.085 0.000 1.169 462 A CA 2.114 54.212 52.037 0.102 0.000 0.638 462 A CB -0.951 18.146 19.000 0.161 0.000 0.812 462 A HN 0.401 nan 8.150 nan 0.000 0.446 463 T N -0.753 113.819 114.554 0.031 0.000 2.732 463 T HA -0.107 4.243 4.350 -0.000 0.000 0.261 463 T C 2.261 177.001 174.700 0.066 0.000 1.040 463 T CA 1.662 63.794 62.100 0.054 0.000 1.145 463 T CB -0.376 68.533 68.868 0.069 0.000 0.866 463 T HN 0.515 nan 8.240 nan 0.000 0.427 464 S N 1.420 117.154 115.700 0.057 0.000 2.420 464 S HA -0.183 4.287 4.470 -0.000 0.000 0.237 464 S C 2.023 176.662 174.600 0.064 0.000 1.023 464 S CA 1.338 59.573 58.200 0.059 0.000 0.991 464 S CB -0.754 62.477 63.200 0.051 0.000 0.792 464 S HN 0.517 nan 8.310 nan 0.000 0.488 465 N N -0.045 118.699 118.700 0.074 0.000 2.223 465 N HA -0.109 4.631 4.740 -0.000 0.000 0.185 465 N C 1.489 177.068 175.510 0.114 0.000 1.016 465 N CA 1.218 54.329 53.050 0.100 0.000 0.863 465 N CB -0.117 38.460 38.487 0.150 0.000 0.983 465 N HN 0.315 nan 8.380 nan 0.000 0.429 466 L N 1.951 123.236 121.223 0.104 0.000 2.072 466 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 466 L C 2.412 179.337 176.870 0.092 0.000 1.079 466 L CA 1.288 56.185 54.840 0.096 0.000 0.752 466 L CB -1.082 41.015 42.059 0.062 0.000 0.906 466 L HN 0.071 nan 8.230 nan 0.000 0.436 467 K N 0.176 120.623 120.400 0.077 0.000 2.211 467 K HA -0.192 4.128 4.320 -0.000 0.000 0.204 467 K C 1.886 178.537 176.600 0.085 0.000 1.047 467 K CA 1.294 57.625 56.287 0.073 0.000 0.935 467 K CB 0.164 32.699 32.500 0.059 0.000 0.728 467 K HN 0.334 nan 8.250 nan 0.000 0.452 468 K N -0.240 120.214 120.400 0.090 0.000 2.211 468 K HA -0.018 4.302 4.320 -0.000 0.000 0.201 468 K C 1.719 178.401 176.600 0.137 0.000 1.052 468 K CA 0.130 56.471 56.287 0.091 0.000 0.973 468 K CB 0.091 32.629 32.500 0.065 0.000 0.766 468 K HN -0.032 nan 8.250 nan 0.000 0.466 469 L N 0.685 122.011 121.223 0.171 0.000 2.610 469 L HA -0.018 4.322 4.340 -0.000 0.000 0.232 469 L C 1.264 178.374 176.870 0.400 0.000 1.149 469 L CA 0.957 55.962 54.840 0.275 0.000 0.872 469 L CB 0.455 42.666 42.059 0.254 0.000 0.992 469 L HN -0.127 nan 8.230 nan 0.000 0.447 470 V N -2.221 117.860 119.914 0.280 0.000 3.572 470 V HA 0.043 4.163 4.120 -0.000 0.000 0.260 470 V C 2.047 178.285 176.094 0.239 0.000 1.324 470 V CA 0.399 62.875 62.300 0.293 0.000 1.068 470 V CB 0.545 32.463 31.823 0.159 0.000 0.837 470 V HN 0.356 nan 8.190 nan 0.000 0.450 471 E N 1.977 122.282 120.200 0.176 0.000 2.006 471 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 471 E C 2.111 178.778 176.600 0.111 0.000 0.993 471 E CA 1.863 58.334 56.400 0.119 0.000 0.808 471 E CB 0.046 29.796 29.700 0.083 0.000 0.764 471 E HN 0.713 nan 8.360 nan 0.000 0.449 472 K N -1.061 119.402 120.400 0.105 0.000 2.305 472 K HA 0.024 4.344 4.320 -0.000 0.000 0.199 472 K C 1.100 177.712 176.600 0.020 0.000 1.047 472 K CA 0.232 56.539 56.287 0.033 0.000 0.976 472 K CB 0.023 32.510 32.500 -0.022 0.000 0.765 472 K HN 0.011 nan 8.250 nan 0.000 0.474 473 F N 1.192 121.177 119.950 0.060 0.000 2.363 473 F HA 0.362 4.889 4.527 -0.000 0.000 0.332 473 F C 1.721 177.603 175.800 0.137 0.000 1.039 473 F CA -0.373 57.658 58.000 0.053 0.000 1.127 473 F CB 0.643 39.709 39.000 0.111 0.000 1.701 473 F HN 0.038 nan 8.300 nan 0.000 0.532 474 G N 0.059 109.292 108.800 0.720 0.000 2.597 474 G HA2 0.190 4.150 3.960 -0.000 0.000 0.194 474 G HA3 0.190 4.150 3.960 -0.000 0.000 0.194 474 G C -0.051 175.081 174.900 0.387 0.000 1.625 474 G CA 0.693 46.082 45.100 0.482 0.000 1.050 474 G HN 0.740 nan 8.290 nan 0.000 0.531 475 K N -2.963 117.632 120.400 0.326 0.000 2.644 475 K HA 0.106 4.426 4.320 -0.000 0.000 0.156 475 K C 1.429 178.119 176.600 0.150 0.000 1.957 475 K CA 0.006 56.409 56.287 0.193 0.000 1.331 475 K CB -0.031 32.547 32.500 0.129 0.000 2.145 475 K HN 0.289 nan 8.250 nan 0.000 0.574 476 E N 1.003 121.309 120.200 0.177 0.000 2.230 476 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 476 E C 1.400 178.122 176.600 0.202 0.000 0.987 476 E CA 0.936 57.430 56.400 0.155 0.000 0.841 476 E CB 0.039 29.819 29.700 0.135 0.000 0.783 476 E HN 0.474 nan 8.360 nan 0.000 0.481 477 W N 1.916 123.245 121.300 0.050 0.000 2.518 477 W HA 0.078 4.738 4.660 0.000 0.000 0.273 477 W C 2.158 178.658 176.519 -0.032 0.000 1.247 477 W CA 1.400 58.745 57.345 -0.001 0.000 1.288 477 W CB -0.081 29.372 29.460 -0.010 0.000 1.107 477 W HN -0.007 nan 8.180 nan 0.000 0.586 478 A N -0.147 122.557 122.820 -0.194 0.000 1.908 478 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 478 A C 2.086 179.507 177.584 -0.272 0.000 1.181 478 A CA 1.930 53.734 52.037 -0.389 0.000 0.627 478 A CB -1.579 17.360 19.000 -0.101 0.000 0.818 478 A HN 0.646 nan 8.150 nan 0.000 0.445 479 H N -0.740 118.201 119.070 -0.216 0.000 2.491 479 H HA 0.087 4.643 4.556 -0.000 0.000 0.290 479 H C 1.992 177.188 175.328 -0.219 0.000 1.050 479 H CA 1.076 56.994 56.048 -0.216 0.000 1.309 479 H CB 0.133 29.780 29.762 -0.190 0.000 1.392 479 H HN 0.471 nan 8.280 nan 0.000 0.554 480 A N -0.727 121.948 122.820 -0.241 0.000 2.063 480 A HA 0.068 4.388 4.320 -0.000 0.000 0.211 480 A C 1.901 179.305 177.584 -0.300 0.000 1.177 480 A CA 0.921 52.818 52.037 -0.233 0.000 0.759 480 A CB 0.207 19.172 19.000 -0.057 0.000 0.857 480 A HN 0.402 nan 8.150 nan 0.000 0.468 481 T N -1.335 112.931 114.554 -0.480 0.000 3.280 481 T HA 0.222 4.572 4.350 -0.000 0.000 0.256 481 T C 1.702 176.136 174.700 -0.443 0.000 0.995 481 T CA 0.500 62.324 62.100 -0.460 0.000 1.144 481 T CB -0.351 68.204 68.868 -0.521 0.000 1.140 481 T HN 0.164 nan 8.240 nan 0.000 0.423 482 I N 1.357 121.570 120.570 -0.595 0.000 2.142 482 I HA -0.110 4.060 4.170 -0.000 0.000 0.240 482 I C 2.192 178.157 176.117 -0.253 0.000 1.078 482 I CA 1.580 62.636 61.300 -0.407 0.000 1.343 482 I CB -0.232 37.497 38.000 -0.452 0.000 1.046 482 I HN 0.180 nan 8.210 nan 0.000 0.405 483 I N 0.158 120.582 120.570 -0.245 0.000 2.286 483 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 483 I C -0.526 175.499 176.117 -0.154 0.000 1.104 483 I CA 1.096 62.301 61.300 -0.158 0.000 1.397 483 I CB -1.398 36.534 38.000 -0.113 0.000 1.072 483 I HN 0.142 nan 8.210 nan 0.000 0.417 484 P HA -0.206 nan 4.420 nan 0.000 0.216 484 P C 1.368 178.594 177.300 -0.122 0.000 1.153 484 P CA 1.629 64.628 63.100 -0.168 0.000 0.858 484 P CB -0.026 31.555 31.700 -0.198 0.000 0.789 485 K N -1.110 119.211 120.400 -0.131 0.000 2.365 485 K HA 0.038 4.358 4.320 -0.000 0.000 0.197 485 K C 1.827 178.383 176.600 -0.074 0.000 1.042 485 K CA 0.428 56.654 56.287 -0.102 0.000 0.987 485 K CB -0.260 32.172 32.500 -0.115 0.000 0.779 485 K HN 0.004 nan 8.250 nan 0.000 0.484 486 V N 1.477 121.346 119.914 -0.074 0.000 2.407 486 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 486 V C 2.040 178.119 176.094 -0.024 0.000 1.041 486 V CA 1.276 63.551 62.300 -0.042 0.000 1.040 486 V CB -0.153 31.646 31.823 -0.039 0.000 0.671 486 V HN 0.264 nan 8.190 nan 0.000 0.455 487 L N -0.018 121.187 121.223 -0.031 0.000 2.093 487 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 487 L C 2.732 179.592 176.870 -0.016 0.000 1.085 487 L CA 1.398 56.230 54.840 -0.014 0.000 0.755 487 L CB -0.777 41.275 42.059 -0.011 0.000 0.904 487 L HN 0.370 nan 8.230 nan 0.000 0.435 488 A N -0.184 122.618 122.820 -0.031 0.000 1.917 488 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 488 A C 2.299 179.872 177.584 -0.019 0.000 1.182 488 A CA 2.092 54.111 52.037 -0.030 0.000 0.633 488 A CB -0.617 18.356 19.000 -0.045 0.000 0.819 488 A HN 0.406 nan 8.150 nan 0.000 0.448 489 M N 0.848 120.440 119.600 -0.014 0.000 2.426 489 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 489 M C 2.108 178.416 176.300 0.014 0.000 1.068 489 M CA 1.600 56.900 55.300 0.001 0.000 1.066 489 M CB -0.290 32.316 32.600 0.010 0.000 1.399 489 M HN 0.678 nan 8.290 nan 0.000 0.449 490 S N -1.125 114.582 115.700 0.012 0.000 2.469 490 S HA -0.051 4.419 4.470 -0.000 0.000 0.238 490 S C 1.762 176.372 174.600 0.017 0.000 0.998 490 S CA 0.997 59.209 58.200 0.020 0.000 0.957 490 S CB -0.814 62.395 63.200 0.015 0.000 0.764 490 S HN 0.593 nan 8.310 nan 0.000 0.514 491 G N 0.868 109.671 108.800 0.006 0.000 2.603 491 G HA2 0.013 3.973 3.960 -0.000 0.000 0.214 491 G HA3 0.013 3.973 3.960 -0.000 0.000 0.214 491 G C 0.311 175.210 174.900 -0.001 0.000 1.140 491 G CA -0.064 45.037 45.100 0.001 0.000 0.800 491 G HN 0.520 nan 8.290 nan 0.000 0.533 492 D N 1.105 121.504 120.400 -0.002 0.000 2.648 492 D HA -0.009 4.631 4.640 -0.000 0.000 0.229 492 D C -1.162 175.139 176.300 0.001 0.000 1.119 492 D CA -0.824 53.164 54.000 -0.019 0.000 0.850 492 D CB 1.741 42.537 40.800 -0.007 0.000 1.169 492 D HN 0.071 nan 8.370 nan 0.000 0.489 493 P HA -0.043 nan 4.420 nan 0.000 0.222 493 P C 0.146 177.473 177.300 0.044 0.000 1.153 493 P CA 0.485 63.592 63.100 0.011 0.000 0.798 493 P CB 0.171 31.867 31.700 -0.007 0.000 0.796 494 N N -0.512 118.202 118.700 0.024 0.000 2.442 494 N HA -0.007 4.733 4.740 -0.000 0.000 0.265 494 N C 1.245 176.816 175.510 0.103 0.000 1.138 494 N CA -0.505 52.588 53.050 0.072 0.000 0.956 494 N CB 0.289 38.822 38.487 0.077 0.000 1.067 494 N HN -0.003 nan 8.380 nan 0.000 0.474 495 Y N 4.330 124.668 120.300 0.063 0.000 2.165 495 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 495 Y C 1.477 177.405 175.900 0.046 0.000 1.155 495 Y CA 0.773 58.897 58.100 0.041 0.000 1.164 495 Y CB -0.218 38.249 38.460 0.012 0.000 0.978 495 Y HN 0.458 nan 8.280 nan 0.000 0.513 496 L N 0.889 121.641 121.223 -0.786 0.000 2.011 496 L HA -0.353 3.987 4.340 -0.000 0.000 0.225 496 L C 2.711 179.427 176.870 -0.256 0.000 1.084 496 L CA 2.694 57.214 54.840 -0.533 0.000 0.791 496 L CB -1.715 40.089 42.059 -0.424 0.000 0.898 496 L HN 0.536 nan 8.230 nan 0.000 0.440 497 H N -0.377 118.593 119.070 -0.167 0.000 2.395 497 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 497 H C 2.231 177.524 175.328 -0.058 0.000 1.070 497 H CA 1.450 57.434 56.048 -0.106 0.000 1.356 497 H CB 0.168 29.880 29.762 -0.083 0.000 1.401 497 H HN 0.446 nan 8.280 nan 0.000 0.524 498 R N 0.511 121.072 120.500 0.103 0.000 2.275 498 R HA 0.048 4.388 4.340 -0.000 0.000 0.199 498 R C 1.712 178.067 176.300 0.091 0.000 0.989 498 R CA 0.430 56.581 56.100 0.084 0.000 1.016 498 R CB -0.164 30.185 30.300 0.082 0.000 0.918 498 R HN 0.188 nan 8.270 nan 0.000 0.473 499 M N 1.022 120.678 119.600 0.094 0.000 2.319 499 M HA -0.024 4.456 4.480 -0.000 0.000 0.265 499 M C 1.153 177.608 176.300 0.259 0.000 1.068 499 M CA 1.538 56.950 55.300 0.186 0.000 1.118 499 M CB 0.131 32.863 32.600 0.219 0.000 1.395 499 M HN 0.167 nan 8.290 nan 0.000 0.435 500 T N 0.001 114.587 114.554 0.054 0.000 2.977 500 T HA -0.084 4.266 4.350 -0.000 0.000 0.271 500 T C 1.599 176.371 174.700 0.119 0.000 1.105 500 T CA 1.497 63.623 62.100 0.043 0.000 1.116 500 T CB -0.427 68.376 68.868 -0.108 0.000 0.878 500 T HN 0.429 nan 8.240 nan 0.000 0.509 501 T N 2.998 117.613 114.554 0.101 0.000 2.614 501 T HA -0.027 4.323 4.350 -0.000 0.000 0.263 501 T C 1.880 176.634 174.700 0.090 0.000 1.055 501 T CA 0.699 62.845 62.100 0.076 0.000 1.162 501 T CB -0.394 68.506 68.868 0.054 0.000 0.863 501 T HN 0.131 nan 8.240 nan 0.000 0.414 502 L N 0.217 121.501 121.223 0.101 0.000 2.079 502 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 502 L C 2.272 179.164 176.870 0.036 0.000 1.081 502 L CA 1.520 56.389 54.840 0.048 0.000 0.752 502 L CB -1.740 40.325 42.059 0.010 0.000 0.896 502 L HN 0.194 nan 8.230 nan 0.000 0.433 503 F N -0.508 119.437 119.950 -0.009 0.000 2.134 503 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 503 F C 2.640 178.436 175.800 -0.007 0.000 1.097 503 F CA 1.490 59.487 58.000 -0.006 0.000 1.264 503 F CB -0.551 38.438 39.000 -0.017 0.000 1.001 503 F HN 0.113 nan 8.300 nan 0.000 0.479 504 C N -0.645 118.754 119.300 0.165 0.000 2.485 504 C HA 0.007 4.467 4.460 -0.000 0.000 0.277 504 C C 2.767 177.786 174.990 0.048 0.000 1.376 504 C CA -0.051 59.021 59.018 0.089 0.000 1.759 504 C CB -1.082 26.695 27.740 0.063 0.000 1.970 504 C HN 0.405 nan 8.230 nan 0.000 0.509 505 I N 2.956 123.548 120.570 0.037 0.000 2.163 505 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 505 I C 1.965 178.086 176.117 0.006 0.000 1.085 505 I CA 1.972 63.283 61.300 0.018 0.000 1.347 505 I CB -0.374 37.635 38.000 0.014 0.000 1.044 505 I HN 0.497 nan 8.210 nan 0.000 0.408 506 N N 0.102 118.792 118.700 -0.017 0.000 2.515 506 N HA -0.079 4.661 4.740 -0.000 0.000 0.185 506 N C 0.985 176.491 175.510 -0.006 0.000 1.109 506 N CA 0.638 53.673 53.050 -0.025 0.000 0.903 506 N CB -0.347 38.102 38.487 -0.064 0.000 0.969 506 N HN 0.209 nan 8.380 nan 0.000 0.450 507 V N -0.623 119.298 119.914 0.011 0.000 3.643 507 V HA 0.233 4.353 4.120 -0.000 0.000 0.280 507 V C 0.861 176.975 176.094 0.033 0.000 1.351 507 V CA 0.236 62.553 62.300 0.028 0.000 1.073 507 V CB -0.213 31.636 31.823 0.044 0.000 0.863 507 V HN 0.200 nan 8.190 nan 0.000 0.436 508 L N 1.150 122.390 121.223 0.028 0.000 3.108 508 L HA 0.270 4.610 4.340 -0.000 0.000 0.251 508 L C 1.314 178.200 176.870 0.026 0.000 1.315 508 L CA 0.298 55.155 54.840 0.028 0.000 1.048 508 L CB 0.408 42.478 42.059 0.020 0.000 1.432 508 L HN 0.400 nan 8.230 nan 0.000 0.543 509 S N -3.313 112.402 115.700 0.025 0.000 2.727 509 S HA 0.067 4.537 4.470 -0.000 0.000 0.249 509 S C 1.280 175.895 174.600 0.025 0.000 1.079 509 S CA -0.411 57.803 58.200 0.023 0.000 0.912 509 S CB 0.156 63.366 63.200 0.017 0.000 0.861 509 S HN 0.363 nan 8.310 nan 0.000 0.484 510 E N 1.890 122.106 120.200 0.026 0.000 2.427 510 E HA 0.042 4.392 4.350 -0.000 0.000 0.196 510 E C 1.499 178.119 176.600 0.033 0.000 1.028 510 E CA 1.063 57.479 56.400 0.027 0.000 0.864 510 E CB 0.078 29.794 29.700 0.027 0.000 0.813 510 E HN 0.643 nan 8.360 nan 0.000 0.514 511 V N -3.750 116.188 119.914 0.040 0.000 3.477 511 V HA 0.215 4.335 4.120 -0.000 0.000 0.297 511 V C 1.167 177.291 176.094 0.051 0.000 1.433 511 V CA -0.275 62.056 62.300 0.050 0.000 1.052 511 V CB 0.020 31.882 31.823 0.065 0.000 0.895 511 V HN 0.239 nan 8.190 nan 0.000 0.438 512 C N 0.726 120.049 119.300 0.038 0.000 3.364 512 C HA 0.719 5.179 4.460 -0.000 0.000 0.340 512 C C 1.619 176.623 174.990 0.022 0.000 1.336 512 C CA 0.125 59.163 59.018 0.032 0.000 1.778 512 C CB -0.396 27.360 27.740 0.028 0.000 2.398 512 C HN 1.071 nan 8.230 nan 0.000 0.667 513 G N 0.916 109.730 108.800 0.023 0.000 2.752 513 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.234 513 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.234 513 G C 0.564 175.474 174.900 0.018 0.000 1.367 513 G CA 0.447 45.558 45.100 0.019 0.000 0.879 513 G HN 0.315 nan 8.290 nan 0.000 0.563 514 Q N -0.796 119.013 119.800 0.015 0.000 1.948 514 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 514 Q C 2.296 178.308 176.000 0.019 0.000 0.992 514 Q CA 2.757 58.569 55.803 0.015 0.000 0.849 514 Q CB -0.450 28.294 28.738 0.011 0.000 0.918 514 Q HN 0.707 nan 8.270 nan 0.000 0.421 515 D N -0.324 120.083 120.400 0.013 0.000 2.133 515 D HA -0.199 4.441 4.640 -0.000 0.000 0.192 515 D C 1.886 178.212 176.300 0.044 0.000 1.001 515 D CA 1.671 55.680 54.000 0.016 0.000 0.844 515 D CB -0.231 40.567 40.800 -0.003 0.000 0.944 515 D HN 0.309 nan 8.370 nan 0.000 0.447 516 I N 0.029 120.610 120.570 0.017 0.000 2.252 516 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 516 I C 2.519 178.720 176.117 0.139 0.000 1.102 516 I CA 1.241 62.560 61.300 0.031 0.000 1.385 516 I CB -0.539 37.431 38.000 -0.050 0.000 1.064 516 I HN 0.038 nan 8.210 nan 0.000 0.414 517 T N -0.299 114.303 114.554 0.079 0.000 2.701 517 T HA -0.155 4.195 4.350 -0.000 0.000 0.263 517 T C 1.904 176.642 174.700 0.063 0.000 1.040 517 T CA 2.096 64.238 62.100 0.071 0.000 1.147 517 T CB -0.483 68.409 68.868 0.040 0.000 0.865 517 T HN 0.369 nan 8.240 nan 0.000 0.426 518 T N 1.818 116.397 114.554 0.042 0.000 2.759 518 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 518 T C 1.851 176.541 174.700 -0.017 0.000 1.042 518 T CA 1.055 63.162 62.100 0.013 0.000 1.140 518 T CB -0.086 68.785 68.868 0.005 0.000 0.864 518 T HN 0.345 nan 8.240 nan 0.000 0.455 519 K N -0.829 119.551 120.400 -0.033 0.000 2.361 519 K HA 0.125 4.445 4.320 -0.000 0.000 0.194 519 K C 1.600 177.947 176.600 -0.422 0.000 1.032 519 K CA 0.328 56.479 56.287 -0.226 0.000 1.048 519 K CB 0.318 32.637 32.500 -0.301 0.000 0.842 519 K HN 0.509 nan 8.250 nan 0.000 0.526 520 H N -1.270 117.823 119.070 0.039 0.000 2.348 520 H HA 0.201 4.757 4.556 -0.000 0.000 0.233 520 H C 1.884 177.233 175.328 0.034 0.000 0.889 520 H CA 0.117 56.200 56.048 0.058 0.000 1.034 520 H CB 0.432 30.273 29.762 0.131 0.000 1.393 520 H HN -0.010 nan 8.280 nan 0.000 0.422 521 M N 0.528 120.216 119.600 0.147 0.000 2.115 521 M HA -0.072 4.408 4.480 -0.000 0.000 0.261 521 M C 2.386 178.711 176.300 0.042 0.000 1.079 521 M CA 1.051 56.398 55.300 0.078 0.000 1.143 521 M CB -0.298 32.341 32.600 0.064 0.000 1.332 521 M HN 0.054 nan 8.290 nan 0.000 0.421 522 L N 1.219 122.460 121.223 0.031 0.000 2.043 522 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 522 L C -0.856 176.017 176.870 0.004 0.000 1.075 522 L CA 2.227 57.075 54.840 0.013 0.000 0.752 522 L CB -1.604 40.459 42.059 0.007 0.000 0.891 522 L HN 0.064 nan 8.230 nan 0.000 0.432 523 P HA -0.110 nan 4.420 nan 0.000 0.222 523 P C 1.184 178.484 177.300 -0.001 0.000 1.142 523 P CA 1.455 64.548 63.100 -0.011 0.000 0.788 523 P CB -0.088 31.594 31.700 -0.029 0.000 0.767 524 T N -2.184 112.375 114.554 0.009 0.000 3.033 524 T HA 0.015 4.365 4.350 -0.000 0.000 0.248 524 T C 1.748 176.453 174.700 0.010 0.000 1.040 524 T CA 0.480 62.586 62.100 0.011 0.000 1.133 524 T CB -0.594 68.284 68.868 0.017 0.000 0.895 524 T HN -0.124 nan 8.240 nan 0.000 0.465 525 V N 2.884 122.804 119.914 0.010 0.000 2.237 525 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 525 V C 2.019 178.116 176.094 0.005 0.000 1.046 525 V CA 1.549 63.853 62.300 0.006 0.000 1.007 525 V CB -0.970 30.856 31.823 0.005 0.000 0.638 525 V HN 0.507 nan 8.190 nan 0.000 0.445 526 L N 0.056 121.282 121.223 0.005 0.000 2.682 526 L HA 0.286 4.626 4.340 -0.000 0.000 0.240 526 L C 1.906 178.778 176.870 0.004 0.000 1.178 526 L CA 0.609 55.452 54.840 0.005 0.000 0.970 526 L CB -0.780 41.282 42.059 0.004 0.000 1.179 526 L HN 0.229 nan 8.230 nan 0.000 0.435 527 R N 0.471 120.974 120.500 0.004 0.000 2.287 527 R HA 0.276 4.616 4.340 -0.000 0.000 0.197 527 R C 1.641 177.944 176.300 0.005 0.000 0.900 527 R CA 0.749 56.851 56.100 0.003 0.000 1.052 527 R CB -0.152 30.149 30.300 0.002 0.000 1.117 527 R HN 0.300 nan 8.270 nan 0.000 0.568 528 M N 0.224 119.827 119.600 0.005 0.000 2.541 528 M HA 0.261 4.741 4.480 -0.000 0.000 0.252 528 M C 1.473 177.773 176.300 0.000 0.000 1.125 528 M CA 0.810 56.113 55.300 0.005 0.000 1.091 528 M CB 0.349 32.954 32.600 0.007 0.000 1.420 528 M HN 0.308 nan 8.290 nan 0.000 0.486 529 A N 0.376 123.198 122.820 0.003 0.000 2.239 529 A HA 0.136 4.456 4.320 -0.000 0.000 0.209 529 A C 1.705 179.294 177.584 0.008 0.000 1.171 529 A CA 1.163 53.205 52.037 0.007 0.000 0.768 529 A CB -0.755 18.253 19.000 0.014 0.000 0.790 529 A HN 0.520 nan 8.150 nan 0.000 0.478 530 G N -0.486 108.318 108.800 0.006 0.000 3.936 530 G HA2 0.357 4.317 3.960 -0.000 0.000 0.296 530 G HA3 0.357 4.317 3.960 -0.000 0.000 0.296 530 G C -0.495 174.407 174.900 0.002 0.000 1.121 530 G CA -0.056 45.048 45.100 0.006 0.000 0.899 530 G HN 0.360 nan 8.290 nan 0.000 0.542 531 D N 0.759 121.157 120.400 -0.003 0.000 2.304 531 D HA 0.288 4.928 4.640 -0.000 0.000 0.250 531 D C -0.401 175.891 176.300 -0.013 0.000 1.107 531 D CA -1.800 52.197 54.000 -0.006 0.000 0.885 531 D CB 2.055 42.849 40.800 -0.011 0.000 1.192 531 D HN -0.048 nan 8.370 nan 0.000 0.436 532 P HA -0.147 nan 4.420 nan 0.000 0.217 532 P C -0.027 177.250 177.300 -0.039 0.000 1.151 532 P CA 0.698 63.789 63.100 -0.015 0.000 0.849 532 P CB 0.093 31.789 31.700 -0.007 0.000 0.787 533 V N 0.607 120.481 119.914 -0.066 0.000 2.385 533 V HA 0.335 4.455 4.120 -0.000 0.000 0.269 533 V C 1.789 177.783 176.094 -0.168 0.000 1.043 533 V CA 0.100 62.312 62.300 -0.147 0.000 0.906 533 V CB 0.546 32.225 31.823 -0.241 0.000 0.995 533 V HN 0.038 nan 8.190 nan 0.000 0.467 534 A N 4.173 126.917 122.820 -0.127 0.000 2.024 534 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 534 A C 1.868 179.266 177.584 -0.310 0.000 1.164 534 A CA 2.136 54.136 52.037 -0.063 0.000 0.643 534 A CB -0.615 18.445 19.000 0.099 0.000 0.806 534 A HN 0.845 nan 8.150 nan 0.000 0.451 535 N N -0.211 118.206 118.700 -0.471 0.000 2.289 535 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 535 N C 1.298 176.365 175.510 -0.739 0.000 1.016 535 N CA 1.410 53.924 53.050 -0.892 0.000 0.872 535 N CB -0.306 37.943 38.487 -0.398 0.000 0.973 535 N HN 0.315 nan 8.380 nan 0.000 0.433 536 V N 0.298 119.995 119.914 -0.363 0.000 2.535 536 V HA -0.017 4.103 4.120 -0.000 0.000 0.246 536 V C 2.186 178.155 176.094 -0.208 0.000 1.045 536 V CA 1.138 63.324 62.300 -0.189 0.000 1.058 536 V CB -0.278 31.514 31.823 -0.051 0.000 0.689 536 V HN 0.210 nan 8.190 nan 0.000 0.461 537 R N 0.233 120.611 120.500 -0.202 0.000 2.066 537 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 537 R C 2.324 178.614 176.300 -0.017 0.000 1.131 537 R CA 2.046 58.101 56.100 -0.075 0.000 0.955 537 R CB -0.423 29.875 30.300 -0.003 0.000 0.851 537 R HN 0.702 nan 8.270 nan 0.000 0.432 538 F N -0.394 119.578 119.950 0.037 0.000 2.456 538 F HA 0.086 4.613 4.527 -0.000 0.000 0.298 538 F C 1.233 176.951 175.800 -0.136 0.000 1.104 538 F CA 0.588 58.617 58.000 0.047 0.000 1.435 538 F CB -0.574 38.551 39.000 0.210 0.000 1.078 538 F HN -0.122 nan 8.300 nan 0.000 0.546 539 N N 0.600 119.131 118.700 -0.280 0.000 2.383 539 N HA 0.050 4.790 4.740 -0.000 0.000 0.192 539 N C 1.431 176.863 175.510 -0.129 0.000 1.141 539 N CA 0.184 53.106 53.050 -0.213 0.000 0.851 539 N CB 0.478 38.824 38.487 -0.235 0.000 0.976 539 N HN 0.244 nan 8.380 nan 0.000 0.465 540 V N 0.588 120.458 119.914 -0.073 0.000 2.492 540 V HA -0.008 4.112 4.120 -0.000 0.000 0.241 540 V C 2.287 178.381 176.094 -0.000 0.000 1.041 540 V CA 1.259 63.541 62.300 -0.030 0.000 1.057 540 V CB -0.164 31.651 31.823 -0.013 0.000 0.711 540 V HN 0.210 nan 8.190 nan 0.000 0.468 541 A N -0.313 122.534 122.820 0.045 0.000 1.902 541 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 541 A C 2.256 179.888 177.584 0.080 0.000 1.181 541 A CA 2.133 54.223 52.037 0.089 0.000 0.623 541 A CB -0.434 18.670 19.000 0.173 0.000 0.818 541 A HN 0.471 nan 8.150 nan 0.000 0.443 542 K N -0.616 119.804 120.400 0.032 0.000 2.026 542 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 542 K C 2.393 178.960 176.600 -0.055 0.000 1.048 542 K CA 1.483 57.743 56.287 -0.045 0.000 0.929 542 K CB -0.202 32.124 32.500 -0.290 0.000 0.713 542 K HN 0.430 nan 8.250 nan 0.000 0.439 543 S N 0.354 116.008 115.700 -0.077 0.000 2.428 543 S HA 0.005 4.475 4.470 -0.000 0.000 0.230 543 S C 1.757 176.337 174.600 -0.033 0.000 1.014 543 S CA 0.643 58.798 58.200 -0.076 0.000 0.957 543 S CB -0.050 63.101 63.200 -0.082 0.000 0.784 543 S HN 0.256 nan 8.310 nan 0.000 0.499 544 L N 0.846 122.063 121.223 -0.011 0.000 2.179 544 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 544 L C 2.778 179.651 176.870 0.005 0.000 1.096 544 L CA 1.043 55.884 54.840 0.002 0.000 0.779 544 L CB -0.433 41.633 42.059 0.011 0.000 0.922 544 L HN 0.436 nan 8.230 nan 0.000 0.443 545 Q N 0.539 120.346 119.800 0.011 0.000 2.050 545 Q HA -0.290 4.050 4.340 -0.000 0.000 0.202 545 Q C 2.176 178.179 176.000 0.005 0.000 0.980 545 Q CA 1.867 57.678 55.803 0.014 0.000 0.840 545 Q CB 0.139 28.895 28.738 0.030 0.000 0.898 545 Q HN 0.209 nan 8.270 nan 0.000 0.424 546 K N 0.691 121.088 120.400 -0.004 0.000 2.026 546 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 546 K C 1.757 178.355 176.600 -0.004 0.000 1.048 546 K CA 1.602 57.884 56.287 -0.008 0.000 0.929 546 K CB -0.232 32.252 32.500 -0.026 0.000 0.713 546 K HN 0.479 nan 8.250 nan 0.000 0.439 547 I N -2.686 117.880 120.570 -0.005 0.000 3.812 547 I HA 0.281 4.451 4.170 -0.000 0.000 0.319 547 I C 1.200 177.319 176.117 0.004 0.000 1.353 547 I CA 0.040 61.341 61.300 0.001 0.000 1.170 547 I CB 0.119 38.120 38.000 0.001 0.000 1.057 547 I HN 0.064 nan 8.210 nan 0.000 0.411 548 G N 2.366 111.169 108.800 0.004 0.000 2.439 548 G HA2 0.036 3.996 3.960 -0.000 0.000 0.212 548 G HA3 0.036 3.996 3.960 -0.000 0.000 0.212 548 G C -0.507 174.396 174.900 0.006 0.000 1.199 548 G CA 0.527 45.630 45.100 0.005 0.000 0.807 548 G HN 0.358 nan 8.290 nan 0.000 0.537 549 P HA -0.056 nan 4.420 nan 0.000 0.218 549 P C 1.608 178.913 177.300 0.008 0.000 1.146 549 P CA 0.618 63.722 63.100 0.007 0.000 0.813 549 P CB -0.016 31.688 31.700 0.007 0.000 0.778 550 I N -1.745 118.830 120.570 0.009 0.000 2.286 550 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 550 I C 1.364 177.487 176.117 0.010 0.000 1.115 550 I CA 1.006 62.313 61.300 0.011 0.000 1.392 550 I CB -0.752 37.256 38.000 0.013 0.000 1.065 550 I HN -0.125 nan 8.210 nan 0.000 0.418 551 L N 0.432 121.660 121.223 0.009 0.000 2.436 551 L HA 0.106 4.446 4.340 -0.000 0.000 0.265 551 L C 0.218 177.092 176.870 0.006 0.000 1.168 551 L CA -0.414 54.431 54.840 0.008 0.000 0.815 551 L CB 0.203 42.266 42.059 0.006 0.000 1.109 551 L HN 0.041 nan 8.230 nan 0.000 0.462 552 D N 0.805 121.208 120.400 0.005 0.000 2.424 552 D HA -0.066 4.574 4.640 -0.000 0.000 0.244 552 D C 1.081 177.383 176.300 0.003 0.000 1.134 552 D CA -0.040 53.963 54.000 0.004 0.000 0.881 552 D CB 0.735 41.537 40.800 0.003 0.000 1.191 552 D HN 0.490 nan 8.370 nan 0.000 0.445 553 N N 2.040 120.742 118.700 0.003 0.000 2.132 553 N HA -0.270 4.470 4.740 -0.000 0.000 0.191 553 N C 1.498 177.009 175.510 0.001 0.000 1.015 553 N CA 1.922 54.974 53.050 0.002 0.000 0.864 553 N CB -0.143 38.345 38.487 0.002 0.000 1.006 553 N HN 0.315 nan 8.380 nan 0.000 0.430 554 S N -1.627 114.073 115.700 0.001 0.000 2.357 554 S HA -0.017 4.453 4.470 -0.000 0.000 0.221 554 S C 1.128 175.728 174.600 -0.001 0.000 1.031 554 S CA 1.423 59.623 58.200 0.000 0.000 0.982 554 S CB -0.642 62.558 63.200 -0.000 0.000 0.853 554 S HN 0.480 nan 8.310 nan 0.000 0.458 555 T N 2.802 117.356 114.554 -0.001 0.000 3.473 555 T HA 0.263 4.613 4.350 -0.000 0.000 0.247 555 T C 0.653 175.353 174.700 -0.000 0.000 1.010 555 T CA 0.506 62.605 62.100 -0.002 0.000 0.940 555 T CB -0.319 68.547 68.868 -0.004 0.000 1.068 555 T HN 0.552 nan 8.240 nan 0.000 0.604 556 L N -2.458 118.766 121.223 0.001 0.000 3.500 556 L HA 0.561 4.901 4.340 -0.000 0.000 0.320 556 L C 1.424 178.295 176.870 0.002 0.000 1.205 556 L CA 0.189 55.031 54.840 0.002 0.000 1.117 556 L CB 0.219 42.280 42.059 0.003 0.000 1.542 556 L HN -0.121 nan 8.230 nan 0.000 0.622 557 Q N 0.962 120.763 119.800 0.001 0.000 2.354 557 Q HA 0.146 4.486 4.340 -0.000 0.000 0.203 557 Q C 1.755 177.756 176.000 0.001 0.000 0.933 557 Q CA 1.373 57.177 55.803 0.001 0.000 0.901 557 Q CB 0.331 29.069 28.738 0.001 0.000 1.007 557 Q HN 0.724 nan 8.270 nan 0.000 0.495 558 S N -2.689 113.011 115.700 0.001 0.000 2.728 558 S HA 0.237 4.707 4.470 -0.000 0.000 0.257 558 S C 0.922 175.523 174.600 0.000 0.000 1.060 558 S CA -0.149 58.052 58.200 0.001 0.000 1.126 558 S CB 0.251 63.451 63.200 -0.000 0.000 1.099 558 S HN 0.134 nan 8.310 nan 0.000 0.617 559 E N 1.140 121.340 120.200 0.000 0.000 2.290 559 E HA 0.304 4.654 4.350 -0.000 0.000 0.199 559 E C 0.634 177.235 176.600 0.002 0.000 0.912 559 E CA 0.560 56.960 56.400 -0.000 0.000 0.924 559 E CB 0.629 30.328 29.700 -0.003 0.000 0.901 559 E HN 0.362 nan 8.360 nan 0.000 0.487 560 V N 1.243 121.159 119.914 0.003 0.000 2.982 560 V HA 0.277 4.397 4.120 -0.000 0.000 0.368 560 V C 1.009 177.107 176.094 0.007 0.000 1.350 560 V CA 0.073 62.376 62.300 0.006 0.000 1.251 560 V CB 0.298 32.125 31.823 0.005 0.000 1.284 560 V HN 0.087 nan 8.190 nan 0.000 0.533 561 K N 1.260 121.663 120.400 0.006 0.000 2.485 561 K HA 0.195 4.515 4.320 -0.000 0.000 0.200 561 K C -0.973 175.632 176.600 0.008 0.000 1.344 561 K CA 0.291 56.582 56.287 0.006 0.000 0.948 561 K CB 0.523 33.026 32.500 0.004 0.000 1.454 561 K HN 0.354 nan 8.250 nan 0.000 0.502 562 P HA -0.064 nan 4.420 nan 0.000 0.229 562 P C 1.357 178.663 177.300 0.011 0.000 1.160 562 P CA 0.814 63.919 63.100 0.008 0.000 0.777 562 P CB 0.134 31.838 31.700 0.006 0.000 0.814 563 I N -0.550 120.027 120.570 0.012 0.000 2.333 563 I HA -0.087 4.083 4.170 -0.000 0.000 0.246 563 I C 2.507 178.637 176.117 0.022 0.000 1.106 563 I CA 0.948 62.257 61.300 0.015 0.000 1.411 563 I CB -1.118 36.890 38.000 0.013 0.000 1.082 563 I HN -0.040 nan 8.210 nan 0.000 0.420 564 L N 0.394 121.630 121.223 0.021 0.000 2.217 564 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 564 L C 2.338 179.224 176.870 0.027 0.000 1.107 564 L CA 1.069 55.926 54.840 0.028 0.000 0.783 564 L CB -0.214 41.859 42.059 0.023 0.000 0.919 564 L HN 0.275 nan 8.230 nan 0.000 0.442 565 E N 0.087 120.299 120.200 0.020 0.000 2.230 565 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 565 E C 1.930 178.542 176.600 0.021 0.000 0.987 565 E CA 0.737 57.148 56.400 0.018 0.000 0.841 565 E CB 0.234 29.941 29.700 0.012 0.000 0.783 565 E HN 0.427 nan 8.360 nan 0.000 0.481 566 K N 0.693 121.106 120.400 0.022 0.000 2.296 566 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 566 K C 1.554 178.173 176.600 0.032 0.000 1.048 566 K CA 0.938 57.239 56.287 0.023 0.000 0.966 566 K CB -0.110 32.402 32.500 0.019 0.000 0.754 566 K HN 0.062 nan 8.250 nan 0.000 0.466 567 L N 1.866 123.113 121.223 0.040 0.000 2.599 567 L HA 0.042 4.381 4.340 -0.000 0.000 0.230 567 L C 1.284 178.194 176.870 0.066 0.000 1.141 567 L CA 0.994 55.869 54.840 0.057 0.000 0.877 567 L CB -0.440 41.660 42.059 0.068 0.000 1.009 567 L HN 0.477 nan 8.230 nan 0.000 0.447 568 T N -4.900 109.684 114.554 0.049 0.000 3.163 568 T HA 0.072 4.422 4.350 -0.000 0.000 0.252 568 T C 1.203 175.927 174.700 0.040 0.000 1.056 568 T CA -0.095 62.033 62.100 0.047 0.000 0.947 568 T CB 0.277 69.164 68.868 0.032 0.000 1.016 568 T HN 0.105 nan 8.240 nan 0.000 0.554 569 Q N 0.298 120.121 119.800 0.038 0.000 2.135 569 Q HA 0.378 4.718 4.340 -0.000 0.000 0.222 569 Q C -0.478 175.540 176.000 0.030 0.000 0.808 569 Q CA -0.030 55.791 55.803 0.030 0.000 1.049 569 Q CB 0.816 29.569 28.738 0.024 0.000 1.168 569 Q HN 0.583 nan 8.270 nan 0.000 0.483 570 D N -1.025 119.398 120.400 0.037 0.000 3.798 570 D HA -0.003 4.637 4.640 -0.000 0.000 0.296 570 D C 0.737 177.060 176.300 0.039 0.000 1.489 570 D CA -0.406 53.614 54.000 0.034 0.000 0.988 570 D CB 0.564 41.383 40.800 0.032 0.000 1.360 570 D HN -0.113 nan 8.370 nan 0.000 0.641 571 Q N 0.530 120.354 119.800 0.039 0.000 2.047 571 Q HA -0.192 4.148 4.340 -0.000 0.000 0.211 571 Q C 0.013 176.040 176.000 0.044 0.000 1.005 571 Q CA 1.786 57.611 55.803 0.037 0.000 0.866 571 Q CB -0.087 28.672 28.738 0.035 0.000 0.938 571 Q HN 0.243 nan 8.270 nan 0.000 0.414 572 D N -1.547 118.893 120.400 0.067 0.000 2.423 572 D HA 0.094 4.734 4.640 -0.000 0.000 0.255 572 D C 0.713 177.049 176.300 0.060 0.000 1.174 572 D CA 0.488 54.536 54.000 0.079 0.000 1.008 572 D CB 1.719 42.605 40.800 0.144 0.000 1.101 572 D HN 0.090 nan 8.370 nan 0.000 0.516 573 V N -1.862 118.074 119.914 0.038 0.000 3.643 573 V HA 0.261 4.381 4.120 -0.000 0.000 0.280 573 V C 0.638 176.722 176.094 -0.017 0.000 1.351 573 V CA 0.271 62.570 62.300 -0.002 0.000 1.073 573 V CB 0.348 32.140 31.823 -0.051 0.000 0.863 573 V HN 0.280 nan 8.190 nan 0.000 0.436 574 D N 1.119 121.531 120.400 0.020 0.000 2.323 574 D HA 0.103 4.743 4.640 -0.000 0.000 0.218 574 D C 2.199 178.656 176.300 0.261 0.000 0.973 574 D CA 1.274 55.271 54.000 -0.005 0.000 0.890 574 D CB 0.602 41.216 40.800 -0.311 0.000 1.011 574 D HN 0.423 nan 8.370 nan 0.000 0.499 575 V N 1.393 121.505 119.914 0.330 0.000 2.427 575 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 575 V C 2.140 178.369 176.094 0.225 0.000 1.051 575 V CA 1.176 63.687 62.300 0.351 0.000 1.048 575 V CB -0.462 31.523 31.823 0.271 0.000 0.666 575 V HN 0.078 nan 8.190 nan 0.000 0.456 576 K N -1.710 118.786 120.400 0.160 0.000 2.611 576 K HA -0.100 4.220 4.320 -0.000 0.000 0.193 576 K C 1.309 177.990 176.600 0.135 0.000 1.026 576 K CA 0.559 56.915 56.287 0.114 0.000 1.063 576 K CB 0.044 32.592 32.500 0.080 0.000 0.839 576 K HN 0.635 nan 8.250 nan 0.000 0.505 577 Y N -1.879 118.395 120.300 -0.043 0.000 2.731 577 Y HA 0.122 4.672 4.550 -0.000 0.000 0.269 577 Y C 0.909 176.687 175.900 -0.203 0.000 1.156 577 Y CA -0.152 57.841 58.100 -0.178 0.000 1.191 577 Y CB 0.243 38.502 38.460 -0.335 0.000 1.382 577 Y HN -0.057 nan 8.280 nan 0.000 0.477 578 F N 0.513 120.486 119.950 0.040 0.000 2.367 578 F HA 0.126 4.653 4.527 -0.000 0.000 0.298 578 F C 2.351 178.139 175.800 -0.020 0.000 1.094 578 F CA 1.293 59.286 58.000 -0.011 0.000 1.409 578 F CB -0.534 38.539 39.000 0.122 0.000 1.064 578 F HN 0.159 nan 8.300 nan 0.000 0.528 579 A N -1.145 121.780 122.820 0.175 0.000 2.208 579 A HA -0.051 4.269 4.320 -0.000 0.000 0.209 579 A C 1.932 179.526 177.584 0.016 0.000 1.161 579 A CA 0.784 52.877 52.037 0.094 0.000 0.782 579 A CB -0.361 18.700 19.000 0.102 0.000 0.816 579 A HN 0.342 nan 8.150 nan 0.000 0.477 580 Q N 0.667 120.436 119.800 -0.052 0.000 2.178 580 Q HA -0.047 4.293 4.340 -0.000 0.000 0.195 580 Q C 1.762 177.663 176.000 -0.166 0.000 0.960 580 Q CA 1.744 57.482 55.803 -0.108 0.000 0.843 580 Q CB -0.211 28.446 28.738 -0.136 0.000 0.927 580 Q HN 0.698 nan 8.270 nan 0.000 0.487 581 E N -0.705 119.316 120.200 -0.298 0.000 2.511 581 E HA 0.086 4.436 4.350 -0.000 0.000 0.196 581 E C 1.228 177.764 176.600 -0.106 0.000 1.066 581 E CA 0.789 57.029 56.400 -0.266 0.000 0.871 581 E CB 0.038 29.456 29.700 -0.469 0.000 0.863 581 E HN 0.338 nan 8.360 nan 0.000 0.520 582 A N 0.876 123.669 122.820 -0.045 0.000 1.935 582 A HA 0.076 4.396 4.320 -0.000 0.000 0.214 582 A C 2.112 179.689 177.584 -0.011 0.000 1.178 582 A CA 0.675 52.714 52.037 0.003 0.000 0.640 582 A CB -0.426 18.599 19.000 0.041 0.000 0.825 582 A HN 0.339 nan 8.150 nan 0.000 0.447 583 L N -0.429 120.781 121.223 -0.023 0.000 2.141 583 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 583 L C 2.674 179.528 176.870 -0.026 0.000 1.094 583 L CA 1.540 56.368 54.840 -0.020 0.000 0.763 583 L CB -0.820 41.227 42.059 -0.020 0.000 0.908 583 L HN 0.345 nan 8.230 nan 0.000 0.437 584 T N -0.402 114.126 114.554 -0.043 0.000 2.639 584 T HA -0.146 4.204 4.350 -0.000 0.000 0.261 584 T C 2.013 176.697 174.700 -0.027 0.000 1.053 584 T CA 1.429 63.505 62.100 -0.041 0.000 1.158 584 T CB -0.315 68.515 68.868 -0.063 0.000 0.863 584 T HN 0.035 nan 8.240 nan 0.000 0.413 585 V N 1.913 121.811 119.914 -0.026 0.000 2.295 585 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 585 V C 2.465 178.555 176.094 -0.008 0.000 1.049 585 V CA 1.479 63.771 62.300 -0.014 0.000 1.024 585 V CB -0.841 30.977 31.823 -0.008 0.000 0.648 585 V HN 0.438 nan 8.190 nan 0.000 0.447 586 L N 0.074 121.293 121.223 -0.006 0.000 2.456 586 L HA 0.003 4.343 4.340 -0.000 0.000 0.224 586 L C 0.959 177.827 176.870 -0.004 0.000 1.148 586 L CA 0.356 55.194 54.840 -0.003 0.000 0.825 586 L CB -0.692 41.367 42.059 -0.000 0.000 0.937 586 L HN 0.394 nan 8.230 nan 0.000 0.450 587 S N 0.351 116.046 115.700 -0.007 0.000 3.430 587 S HA -0.146 4.324 4.470 -0.000 0.000 0.442 587 S C 0.705 175.302 174.600 -0.005 0.000 0.845 587 S CA 0.188 58.384 58.200 -0.007 0.000 1.357 587 S CB -1.171 62.026 63.200 -0.005 0.000 0.925 587 S HN 0.374 nan 8.310 nan 0.000 0.642 588 L N -0.687 120.532 121.223 -0.006 0.000 2.840 588 L HA 0.319 4.659 4.340 -0.000 0.000 0.249 588 L C 1.518 178.386 176.870 -0.004 0.000 1.119 588 L CA 0.454 55.291 54.840 -0.004 0.000 0.930 588 L CB -0.181 41.877 42.059 -0.002 0.000 1.295 588 L HN 0.689 nan 8.230 nan 0.000 0.534 589 A N 0.000 122.816 122.820 -0.007 0.000 2.254 589 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 589 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 589 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486