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 1kjq_1_A DATA FIRST_RESID 2 DATA SEQUENCE TLLGTALRPA ATRVMLLGSG ELGKEVAIEC QRLGVEVIAV DRYADAPAMH DATA SEQUENCE VAHRSHVINM LDGDALRRVV ELEKPHYIVP EIEAIATDML IQLEEEGLNV DATA SEQUENCE VPCARATKLT MNREGIRRLA AEELQLPTST YRFADSESLF REAVADIGYP DATA SEQUENCE CIVKPVMSXX XKGQTFIRSA EQLAQAWKYA QQGGRAGAGR VIVEGVVKFD DATA SEQUENCE FEITLLTVSA VDGVHFCAPV GHRQEDGDYR ESWQPQQMSP LALERAQEIA DATA SEQUENCE RKVVLALGGY GLFGVELFVC GDEVIFSEVS PRPHDTGMVT LISQDLSEFA DATA SEQUENCE LHVRAFLGLP VGGIRQYGPA ASAVILPQLT SQNVTFDNVQ NAVGADLQIR DATA SEQUENCE LFGKPEIDGS RRLGVALATA ESVVDAIERA KHAAGQVKVQ G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.702 174.700 0.004 0.000 1.109 2 T CA 0.000 62.110 62.100 0.016 0.000 1.349 2 T CB 0.000 68.872 68.868 0.007 0.000 0.612 3 L N 4.030 125.256 121.223 0.005 0.000 2.333 3 L HA 0.821 5.161 4.340 -0.000 0.000 0.280 3 L C -1.583 175.279 176.870 -0.014 0.000 1.004 3 L CA -0.544 54.292 54.840 -0.007 0.000 0.820 3 L CB 0.965 43.018 42.059 -0.011 0.000 1.247 3 L HN 0.669 nan 8.230 nan 0.000 0.416 4 L N 4.903 126.115 121.223 -0.018 0.000 2.346 4 L HA 0.734 5.074 4.340 -0.000 0.000 0.276 4 L C 0.734 177.590 176.870 -0.023 0.000 1.006 4 L CA -0.646 54.181 54.840 -0.021 0.000 0.817 4 L CB 1.793 43.841 42.059 -0.018 0.000 1.272 4 L HN 0.766 nan 8.230 nan 0.000 0.421 5 G N 1.060 109.843 108.800 -0.029 0.000 2.510 5 G HA2 0.462 4.422 3.960 -0.000 0.000 0.280 5 G HA3 0.462 4.422 3.960 -0.000 0.000 0.280 5 G C -0.621 174.273 174.900 -0.009 0.000 1.386 5 G CA -0.241 44.848 45.100 -0.019 0.000 1.047 5 G HN 0.448 nan 8.290 nan 0.000 0.527 6 T N 0.618 115.168 114.554 -0.008 0.000 2.770 6 T HA 0.574 4.924 4.350 -0.000 0.000 0.283 6 T C 0.519 175.203 174.700 -0.025 0.000 0.988 6 T CA 0.073 62.169 62.100 -0.007 0.000 0.957 6 T CB 1.218 70.084 68.868 -0.004 0.000 0.930 6 T HN 0.842 nan 8.240 nan 0.000 0.443 7 A N 3.485 126.280 122.820 -0.042 0.000 2.587 7 A HA 0.381 4.701 4.320 -0.000 0.000 0.235 7 A C 1.314 178.806 177.584 -0.153 0.000 1.044 7 A CA 0.232 52.179 52.037 -0.150 0.000 0.754 7 A CB -0.692 18.164 19.000 -0.241 0.000 0.968 7 A HN 1.185 nan 8.150 nan 0.000 0.509 8 L N -0.957 120.155 121.223 -0.187 0.000 5.060 8 L HA -0.205 4.135 4.340 -0.000 0.000 0.408 8 L C 0.795 177.637 176.870 -0.046 0.000 0.917 8 L CA 0.942 55.715 54.840 -0.112 0.000 1.627 8 L CB -1.258 40.754 42.059 -0.078 0.000 1.732 8 L HN 0.787 nan 8.230 nan 0.000 0.611 9 R N 0.201 120.681 120.500 -0.035 0.000 2.607 9 R HA 0.410 4.749 4.340 -0.000 0.000 0.261 9 R C -1.253 175.046 176.300 -0.002 0.000 1.051 9 R CA -2.122 53.971 56.100 -0.013 0.000 1.110 9 R CB -0.315 29.981 30.300 -0.008 0.000 1.158 9 R HN -0.247 nan 8.270 nan 0.000 0.543 10 P HA -0.083 nan 4.420 nan 0.000 0.216 10 P C 0.401 177.718 177.300 0.028 0.000 1.150 10 P CA 1.486 64.595 63.100 0.014 0.000 0.837 10 P CB 0.158 31.865 31.700 0.011 0.000 0.786 11 A N -1.158 121.675 122.820 0.021 0.000 2.370 11 A HA 0.501 4.821 4.320 -0.000 0.000 0.238 11 A C 0.969 178.566 177.584 0.021 0.000 1.289 11 A CA -0.072 51.980 52.037 0.024 0.000 0.885 11 A CB -1.156 17.848 19.000 0.007 0.000 0.961 11 A HN 0.215 nan 8.150 nan 0.000 0.499 12 A N 0.012 122.853 122.820 0.035 0.000 2.555 12 A HA 0.413 4.733 4.320 -0.000 0.000 0.233 12 A C 0.582 178.208 177.584 0.070 0.000 1.060 12 A CA 0.564 52.621 52.037 0.033 0.000 0.759 12 A CB -0.169 18.843 19.000 0.020 0.000 0.995 12 A HN 0.323 nan 8.150 nan 0.000 0.506 13 T N 3.274 117.843 114.554 0.024 0.000 2.743 13 T HA 0.425 4.775 4.350 -0.000 0.000 0.293 13 T C 0.128 174.974 174.700 0.243 0.000 0.945 13 T CA -0.046 62.053 62.100 -0.002 0.000 1.030 13 T CB 0.226 69.096 68.868 0.003 0.000 0.912 13 T HN 0.593 nan 8.240 nan 0.000 0.483 14 R N 2.275 123.123 120.500 0.580 0.000 2.387 14 R HA 0.645 4.985 4.340 -0.000 0.000 0.314 14 R C -1.112 175.404 176.300 0.359 0.000 0.958 14 R CA -0.735 55.578 56.100 0.355 0.000 0.846 14 R CB 1.817 32.235 30.300 0.197 0.000 1.147 14 R HN 0.346 nan 8.270 nan 0.000 0.447 15 V N 4.528 124.597 119.914 0.259 0.000 2.495 15 V HA 0.389 4.509 4.120 -0.000 0.000 0.298 15 V C -0.197 175.979 176.094 0.137 0.000 1.031 15 V CA -0.707 61.728 62.300 0.225 0.000 0.871 15 V CB 1.814 33.763 31.823 0.211 0.000 0.988 15 V HN 0.724 nan 8.190 nan 0.000 0.432 16 M N 6.239 125.892 119.600 0.088 0.000 2.167 16 M HA 0.571 5.051 4.480 -0.000 0.000 0.333 16 M C -1.540 174.775 176.300 0.026 0.000 1.030 16 M CA -0.504 54.829 55.300 0.056 0.000 0.963 16 M CB 1.026 33.645 32.600 0.031 0.000 1.589 16 M HN 0.513 nan 8.290 nan 0.000 0.431 17 L N 6.406 127.649 121.223 0.033 0.000 2.276 17 L HA 0.398 4.738 4.340 -0.000 0.000 0.286 17 L C -0.824 176.049 176.870 0.005 0.000 1.061 17 L CA -0.475 54.374 54.840 0.015 0.000 0.807 17 L CB 0.923 42.995 42.059 0.021 0.000 1.177 17 L HN 0.710 nan 8.230 nan 0.000 0.429 18 L N 4.360 125.580 121.223 -0.005 0.000 2.297 18 L HA 0.612 4.951 4.340 -0.000 0.000 0.277 18 L C 0.355 177.220 176.870 -0.008 0.000 1.040 18 L CA -0.415 54.421 54.840 -0.007 0.000 0.867 18 L CB 0.817 42.869 42.059 -0.012 0.000 1.244 18 L HN 0.888 nan 8.230 nan 0.000 0.433 19 G N 1.390 110.182 108.800 -0.012 0.000 3.363 19 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.685 19 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.685 19 G C -0.252 174.630 174.900 -0.031 0.000 1.199 19 G CA -0.782 44.310 45.100 -0.012 0.000 0.946 19 G HN 0.399 nan 8.290 nan 0.000 0.558 20 S N 1.242 116.907 115.700 -0.058 0.000 2.661 20 S HA 0.545 5.014 4.470 -0.000 0.000 0.245 20 S C 1.284 175.834 174.600 -0.083 0.000 1.117 20 S CA 0.249 58.399 58.200 -0.083 0.000 1.091 20 S CB 0.545 63.670 63.200 -0.125 0.000 0.887 20 S HN 1.384 nan 8.310 nan 0.000 0.491 21 G N 1.943 110.708 108.800 -0.058 0.000 2.570 21 G HA2 0.189 4.149 3.960 -0.000 0.000 0.276 21 G HA3 0.189 4.149 3.960 -0.000 0.000 0.276 21 G C 0.975 175.755 174.900 -0.200 0.000 1.346 21 G CA -0.327 44.728 45.100 -0.076 0.000 1.034 21 G HN 0.400 nan 8.290 nan 0.000 0.512 22 E N -0.565 119.424 120.200 -0.350 0.000 2.204 22 E HA -0.128 4.221 4.350 -0.000 0.000 0.195 22 E C 2.310 178.588 176.600 -0.537 0.000 0.990 22 E CA 0.793 56.825 56.400 -0.614 0.000 0.821 22 E CB -0.292 28.510 29.700 -1.496 0.000 0.750 22 E HN 0.494 nan 8.360 nan 0.000 0.477 23 L N 0.770 121.779 121.223 -0.356 0.000 2.072 23 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 23 L C 2.776 179.507 176.870 -0.231 0.000 1.079 23 L CA 1.237 55.937 54.840 -0.234 0.000 0.752 23 L CB -0.865 41.219 42.059 0.042 0.000 0.906 23 L HN 0.242 nan 8.230 nan 0.000 0.436 24 G N 0.084 108.800 108.800 -0.141 0.000 2.432 24 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 24 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 24 G C 1.693 176.515 174.900 -0.131 0.000 1.135 24 G CA 0.681 45.733 45.100 -0.079 0.000 0.767 24 G HN 0.281 nan 8.290 nan 0.000 0.550 25 K N 0.202 120.473 120.400 -0.216 0.000 2.057 25 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 25 K C 2.281 178.741 176.600 -0.234 0.000 1.049 25 K CA 1.286 57.451 56.287 -0.203 0.000 0.931 25 K CB -0.054 32.308 32.500 -0.229 0.000 0.714 25 K HN 0.157 nan 8.250 nan 0.000 0.440 26 E N 0.338 120.274 120.200 -0.439 0.000 2.152 26 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 26 E C 2.076 178.565 176.600 -0.184 0.000 0.983 26 E CA 0.710 56.824 56.400 -0.478 0.000 0.818 26 E CB 0.013 29.005 29.700 -1.181 0.000 0.758 26 E HN 0.139 nan 8.360 nan 0.000 0.467 27 V N 1.656 121.522 119.914 -0.080 0.000 2.343 27 V HA -0.262 3.857 4.120 -0.000 0.000 0.247 27 V C 2.470 178.611 176.094 0.078 0.000 1.051 27 V CA 1.816 64.197 62.300 0.136 0.000 1.036 27 V CB -0.825 31.143 31.823 0.241 0.000 0.654 27 V HN 0.233 nan 8.190 nan 0.000 0.451 28 A N -0.105 122.727 122.820 0.020 0.000 1.877 28 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 28 A C 2.191 179.775 177.584 -0.001 0.000 1.186 28 A CA 2.036 54.084 52.037 0.018 0.000 0.620 28 A CB -0.580 18.411 19.000 -0.015 0.000 0.822 28 A HN 0.496 nan 8.150 nan 0.000 0.443 29 I N -0.286 120.265 120.570 -0.031 0.000 2.208 29 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 29 I C 2.415 178.530 176.117 -0.004 0.000 1.097 29 I CA 1.347 62.631 61.300 -0.027 0.000 1.363 29 I CB -0.272 37.701 38.000 -0.044 0.000 1.051 29 I HN 0.322 nan 8.210 nan 0.000 0.413 30 E N 0.036 120.242 120.200 0.009 0.000 2.106 30 E HA -0.176 4.173 4.350 -0.000 0.000 0.192 30 E C 2.374 178.967 176.600 -0.012 0.000 0.984 30 E CA 1.146 57.550 56.400 0.008 0.000 0.806 30 E CB -0.431 29.286 29.700 0.029 0.000 0.750 30 E HN 0.540 nan 8.360 nan 0.000 0.458 31 C N 1.196 120.502 119.300 0.010 0.000 2.446 31 C HA -0.069 4.390 4.460 -0.000 0.000 0.277 31 C C 2.635 177.649 174.990 0.039 0.000 1.275 31 C CA 0.366 59.395 59.018 0.019 0.000 1.727 31 C CB -0.621 27.170 27.740 0.085 0.000 2.010 31 C HN 0.439 nan 8.230 nan 0.000 0.486 32 Q N 0.522 120.348 119.800 0.043 0.000 2.124 32 Q HA -0.150 4.189 4.340 -0.000 0.000 0.202 32 Q C 2.226 178.247 176.000 0.033 0.000 0.977 32 Q CA 1.270 57.103 55.803 0.051 0.000 0.850 32 Q CB -0.422 28.314 28.738 -0.003 0.000 0.901 32 Q HN 0.672 nan 8.270 nan 0.000 0.429 33 R N 0.094 120.601 120.500 0.012 0.000 2.241 33 R HA -0.021 4.319 4.340 -0.000 0.000 0.224 33 R C 1.661 177.962 176.300 0.001 0.000 1.101 33 R CA 0.581 56.684 56.100 0.005 0.000 0.995 33 R CB 0.026 30.325 30.300 -0.002 0.000 0.870 33 R HN 0.185 nan 8.270 nan 0.000 0.463 34 L N -0.830 120.392 121.223 -0.002 0.000 2.667 34 L HA 0.258 4.598 4.340 -0.000 0.000 0.232 34 L C 0.879 177.755 176.870 0.010 0.000 1.138 34 L CA 0.008 54.841 54.840 -0.011 0.000 0.921 34 L CB 0.782 42.816 42.059 -0.042 0.000 1.180 34 L HN 0.323 nan 8.230 nan 0.000 0.487 35 G N 0.689 109.512 108.800 0.038 0.000 2.179 35 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.257 35 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.257 35 G C 0.194 175.131 174.900 0.062 0.000 1.010 35 G CA 0.182 45.316 45.100 0.058 0.000 0.736 35 G HN 0.136 nan 8.290 nan 0.000 0.513 36 V N 0.378 120.338 119.914 0.077 0.000 2.583 36 V HA 0.345 4.464 4.120 -0.000 0.000 0.287 36 V C 0.898 177.082 176.094 0.151 0.000 1.051 36 V CA -0.285 62.067 62.300 0.087 0.000 1.010 36 V CB 1.734 33.600 31.823 0.071 0.000 0.988 36 V HN 0.474 nan 8.190 nan 0.000 0.478 37 E N 3.575 123.822 120.200 0.078 0.000 2.290 37 E HA 0.373 4.723 4.350 -0.000 0.000 0.277 37 E C -1.231 175.499 176.600 0.217 0.000 1.035 37 E CA -0.328 56.068 56.400 -0.006 0.000 0.873 37 E CB 1.180 30.800 29.700 -0.134 0.000 1.029 37 E HN 0.491 nan 8.360 nan 0.000 0.419 38 V N 6.308 126.497 119.914 0.458 0.000 2.448 38 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 38 V C -0.405 175.816 176.094 0.212 0.000 1.025 38 V CA -0.737 61.724 62.300 0.268 0.000 0.859 38 V CB 1.370 33.301 31.823 0.180 0.000 0.988 38 V HN 0.573 nan 8.190 nan 0.000 0.431 39 I N 4.248 124.904 120.570 0.143 0.000 2.355 39 I HA 0.688 4.858 4.170 -0.000 0.000 0.288 39 I C 0.405 176.574 176.117 0.085 0.000 0.999 39 I CA -0.121 61.250 61.300 0.119 0.000 1.163 39 I CB 1.781 39.867 38.000 0.142 0.000 1.316 39 I HN 0.675 nan 8.210 nan 0.000 0.454 40 A N 6.555 129.403 122.820 0.047 0.000 2.276 40 A HA 0.853 5.172 4.320 -0.000 0.000 0.316 40 A C -0.585 177.007 177.584 0.013 0.000 1.229 40 A CA -0.502 51.545 52.037 0.016 0.000 0.851 40 A CB 0.783 19.774 19.000 -0.015 0.000 1.165 40 A HN 0.450 nan 8.150 nan 0.000 0.513 41 V N 2.672 122.593 119.914 0.013 0.000 2.680 41 V HA 0.671 4.790 4.120 -0.000 0.000 0.309 41 V C -0.396 175.676 176.094 -0.036 0.000 1.052 41 V CA -0.515 61.794 62.300 0.016 0.000 0.908 41 V CB 1.894 33.742 31.823 0.042 0.000 1.001 41 V HN 1.041 nan 8.190 nan 0.000 0.431 42 D N 1.326 121.691 120.400 -0.059 0.000 2.779 42 D HA 0.360 5.000 4.640 -0.000 0.000 0.331 42 D C -0.068 176.210 176.300 -0.036 0.000 1.331 42 D CA -0.621 53.328 54.000 -0.086 0.000 0.866 42 D CB 2.153 42.808 40.800 -0.242 0.000 1.409 42 D HN 0.327 nan 8.370 nan 0.000 0.486 43 R N -0.090 120.431 120.500 0.036 0.000 2.334 43 R HA 0.191 4.530 4.340 -0.000 0.000 0.216 43 R C -0.679 175.740 176.300 0.199 0.000 0.905 43 R CA 0.420 56.588 56.100 0.114 0.000 1.064 43 R CB -0.574 29.806 30.300 0.134 0.000 1.046 43 R HN 0.395 nan 8.270 nan 0.000 0.508 44 Y N -4.049 116.264 120.300 0.022 0.000 2.571 44 Y HA 0.788 5.338 4.550 0.001 0.000 0.341 44 Y C -0.948 174.970 175.900 0.029 0.000 1.076 44 Y CA -1.814 56.300 58.100 0.024 0.000 1.029 44 Y CB 0.664 39.139 38.460 0.024 0.000 1.308 44 Y HN -0.083 nan 8.280 nan 0.000 0.461 45 A N 1.409 124.261 122.820 0.054 0.000 2.304 45 A HA 0.520 4.840 4.320 -0.000 0.000 0.271 45 A C 0.013 177.602 177.584 0.008 0.000 1.091 45 A CA 0.242 52.263 52.037 -0.027 0.000 0.812 45 A CB -0.345 18.668 19.000 0.023 0.000 1.056 45 A HN 0.991 nan 8.150 nan 0.000 0.489 46 D N -1.642 118.741 120.400 -0.028 0.000 2.945 46 D HA -0.156 4.484 4.640 -0.000 0.000 0.225 46 D C 0.419 176.836 176.300 0.195 0.000 1.158 46 D CA 1.443 55.480 54.000 0.063 0.000 0.805 46 D CB -1.871 38.976 40.800 0.079 0.000 1.098 46 D HN 1.073 nan 8.370 nan 0.000 0.426 47 A N -0.052 122.715 122.820 -0.088 0.000 2.466 47 A HA 0.371 4.691 4.320 -0.000 0.000 0.238 47 A C -0.861 176.733 177.584 0.016 0.000 1.074 47 A CA -0.587 51.356 52.037 -0.157 0.000 0.774 47 A CB 0.360 18.976 19.000 -0.641 0.000 1.015 47 A HN -0.068 nan 8.150 nan 0.000 0.498 48 P HA -0.289 nan 4.420 nan 0.000 0.217 48 P C 1.593 178.798 177.300 -0.158 0.000 1.162 48 P CA 2.923 65.862 63.100 -0.268 0.000 0.901 48 P CB 0.082 31.670 31.700 -0.187 0.000 0.793 49 A N -1.674 121.089 122.820 -0.095 0.000 2.067 49 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 49 A C 2.099 179.681 177.584 -0.003 0.000 1.158 49 A CA 1.470 53.471 52.037 -0.061 0.000 0.661 49 A CB -1.344 17.616 19.000 -0.068 0.000 0.801 49 A HN 0.150 nan 8.150 nan 0.000 0.452 50 M N -1.259 118.359 119.600 0.030 0.000 2.279 50 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 50 M C 1.805 178.149 176.300 0.073 0.000 1.062 50 M CA 1.149 56.466 55.300 0.028 0.000 1.099 50 M CB -0.619 31.976 32.600 -0.009 0.000 1.394 50 M HN 0.543 nan 8.290 nan 0.000 0.426 51 H N -0.592 118.442 119.070 -0.061 0.000 2.421 51 H HA -0.071 4.484 4.556 -0.001 0.000 0.298 51 H C 1.682 176.971 175.328 -0.065 0.000 1.087 51 H CA 1.612 57.630 56.048 -0.048 0.000 1.330 51 H CB 0.168 29.915 29.762 -0.026 0.000 1.388 51 H HN 0.392 nan 8.280 nan 0.000 0.526 52 V N -2.053 117.895 119.914 0.056 0.000 3.214 52 V HA 0.571 4.691 4.120 -0.000 0.000 0.330 52 V C 0.689 176.721 176.094 -0.104 0.000 1.403 52 V CA -0.172 62.108 62.300 -0.033 0.000 1.143 52 V CB -0.003 31.800 31.823 -0.034 0.000 1.098 52 V HN 0.228 nan 8.190 nan 0.000 0.463 53 A N -0.438 122.329 122.820 -0.088 0.000 2.282 53 A HA 0.697 5.017 4.320 -0.000 0.000 0.319 53 A C 0.710 178.199 177.584 -0.159 0.000 1.121 53 A CA -0.222 51.752 52.037 -0.105 0.000 0.836 53 A CB 0.550 19.534 19.000 -0.027 0.000 1.146 53 A HN 0.495 nan 8.150 nan 0.000 0.494 54 H N 0.123 119.195 119.070 0.004 0.000 2.357 54 H HA 0.042 4.600 4.556 0.002 0.000 0.301 54 H C 0.571 175.885 175.328 -0.024 0.000 1.082 54 H CA 1.802 57.849 56.048 -0.002 0.000 1.342 54 H CB 0.121 29.892 29.762 0.015 0.000 1.389 54 H HN 0.554 nan 8.280 nan 0.000 0.511 55 R N -0.734 119.813 120.500 0.078 0.000 2.739 55 R HA 0.538 4.878 4.340 -0.000 0.000 0.271 55 R C -1.158 175.075 176.300 -0.112 0.000 1.010 55 R CA -0.628 55.447 56.100 -0.042 0.000 0.897 55 R CB 2.696 32.975 30.300 -0.034 0.000 1.236 55 R HN -0.034 nan 8.270 nan 0.000 0.466 56 S N 0.416 115.956 115.700 -0.268 0.000 2.595 56 S HA 0.607 5.077 4.470 -0.000 0.000 0.281 56 S C -1.370 172.909 174.600 -0.536 0.000 1.117 56 S CA -0.877 57.168 58.200 -0.258 0.000 0.873 56 S CB 1.739 64.846 63.200 -0.155 0.000 1.108 56 S HN 0.450 nan 8.310 nan 0.000 0.477 57 H N -0.122 118.931 119.070 -0.029 0.000 2.961 57 H HA 0.537 5.093 4.556 -0.001 0.000 0.371 57 H C -1.486 173.819 175.328 -0.039 0.000 1.190 57 H CA -0.538 55.494 56.048 -0.027 0.000 1.138 57 H CB 1.770 31.520 29.762 -0.019 0.000 1.816 57 H HN 0.325 nan 8.280 nan 0.000 0.551 58 V N 4.454 124.427 119.914 0.098 0.000 2.407 58 V HA 0.408 4.528 4.120 -0.000 0.000 0.291 58 V C 0.266 176.391 176.094 0.051 0.000 1.018 58 V CA -0.485 61.839 62.300 0.040 0.000 0.842 58 V CB 1.122 32.955 31.823 0.017 0.000 0.996 58 V HN 0.626 nan 8.190 nan 0.000 0.426 59 I N 1.184 121.776 120.570 0.037 0.000 3.458 59 I HA 0.675 4.845 4.170 -0.000 0.000 0.316 59 I C -0.818 175.312 176.117 0.022 0.000 1.202 59 I CA -1.034 60.281 61.300 0.025 0.000 0.929 59 I CB 2.401 40.407 38.000 0.010 0.000 1.340 59 I HN 0.375 nan 8.210 nan 0.000 0.481 60 N N 2.134 120.842 118.700 0.014 0.000 2.521 60 N HA 0.378 5.118 4.740 -0.000 0.000 0.236 60 N C 0.247 175.760 175.510 0.005 0.000 1.067 60 N CA -0.332 52.725 53.050 0.013 0.000 0.939 60 N CB 0.636 39.128 38.487 0.009 0.000 1.201 60 N HN 0.761 nan 8.380 nan 0.000 0.511 61 M N 2.358 121.963 119.600 0.008 0.000 2.549 61 M HA -0.071 4.409 4.480 -0.000 0.000 0.260 61 M C 1.151 177.450 176.300 -0.003 0.000 1.076 61 M CA 0.988 56.289 55.300 0.001 0.000 1.090 61 M CB 0.116 32.719 32.600 0.004 0.000 1.418 61 M HN 0.463 nan 8.290 nan 0.000 0.486 62 L N -0.400 120.823 121.223 0.000 0.000 2.558 62 L HA 0.031 4.370 4.340 -0.000 0.000 0.225 62 L C 0.592 177.458 176.870 -0.006 0.000 1.128 62 L CA -0.057 54.781 54.840 -0.003 0.000 0.868 62 L CB 0.013 42.071 42.059 -0.001 0.000 1.006 62 L HN 0.104 nan 8.230 nan 0.000 0.454 63 D N -0.104 120.292 120.400 -0.007 0.000 2.396 63 D HA 0.118 4.758 4.640 -0.000 0.000 0.225 63 D C 1.252 177.544 176.300 -0.014 0.000 1.121 63 D CA -0.064 53.930 54.000 -0.009 0.000 0.853 63 D CB 1.815 42.610 40.800 -0.008 0.000 1.043 63 D HN 0.078 nan 8.370 nan 0.000 0.500 64 G N 3.690 112.481 108.800 -0.015 0.000 2.469 64 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 64 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 64 G C 1.108 175.994 174.900 -0.023 0.000 1.136 64 G CA 0.546 45.634 45.100 -0.019 0.000 0.759 64 G HN 0.521 nan 8.290 nan 0.000 0.562 65 D N 1.023 121.411 120.400 -0.021 0.000 2.117 65 D HA -0.034 4.606 4.640 -0.000 0.000 0.198 65 D C 2.841 179.124 176.300 -0.029 0.000 0.982 65 D CA 1.209 55.194 54.000 -0.024 0.000 0.828 65 D CB -0.455 40.334 40.800 -0.020 0.000 0.967 65 D HN 0.330 nan 8.370 nan 0.000 0.464 66 A N 1.023 123.828 122.820 -0.026 0.000 1.902 66 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 66 A C 2.173 179.732 177.584 -0.042 0.000 1.181 66 A CA 0.948 52.967 52.037 -0.031 0.000 0.623 66 A CB -0.683 18.304 19.000 -0.021 0.000 0.818 66 A HN 0.218 nan 8.150 nan 0.000 0.443 67 L N -0.111 121.091 121.223 -0.036 0.000 2.017 67 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 67 L C 2.430 179.269 176.870 -0.052 0.000 1.073 67 L CA 2.314 57.129 54.840 -0.041 0.000 0.745 67 L CB -0.649 41.391 42.059 -0.032 0.000 0.894 67 L HN 0.442 nan 8.230 nan 0.000 0.432 68 R N -0.546 119.926 120.500 -0.046 0.000 2.096 68 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 68 R C 2.414 178.677 176.300 -0.061 0.000 1.127 68 R CA 1.565 57.635 56.100 -0.050 0.000 0.968 68 R CB -0.142 30.132 30.300 -0.042 0.000 0.861 68 R HN 0.405 nan 8.270 nan 0.000 0.440 69 R N -0.319 120.144 120.500 -0.062 0.000 2.081 69 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 69 R C 2.324 178.559 176.300 -0.108 0.000 1.131 69 R CA 1.472 57.528 56.100 -0.073 0.000 0.960 69 R CB -0.547 29.713 30.300 -0.066 0.000 0.856 69 R HN 0.120 nan 8.270 nan 0.000 0.436 70 V N 0.692 120.528 119.914 -0.129 0.000 2.427 70 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 70 V C 2.099 178.099 176.094 -0.156 0.000 1.051 70 V CA 1.524 63.703 62.300 -0.202 0.000 1.048 70 V CB 0.045 31.729 31.823 -0.231 0.000 0.666 70 V HN 0.122 nan 8.190 nan 0.000 0.456 71 V N -0.302 119.549 119.914 -0.105 0.000 2.358 71 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 71 V C 2.661 178.701 176.094 -0.090 0.000 1.047 71 V CA 2.017 64.263 62.300 -0.089 0.000 1.035 71 V CB -0.639 31.140 31.823 -0.074 0.000 0.658 71 V HN 0.529 nan 8.190 nan 0.000 0.452 72 E N -0.069 120.080 120.200 -0.084 0.000 2.110 72 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 72 E C 2.103 178.657 176.600 -0.076 0.000 0.988 72 E CA 1.188 57.544 56.400 -0.074 0.000 0.804 72 E CB -0.312 29.351 29.700 -0.063 0.000 0.745 72 E HN 0.479 nan 8.360 nan 0.000 0.458 73 L N 1.321 122.489 121.223 -0.091 0.000 2.056 73 L HA -0.126 4.213 4.340 -0.000 0.000 0.207 73 L C 1.845 178.675 176.870 -0.066 0.000 1.078 73 L CA 1.773 56.562 54.840 -0.086 0.000 0.749 73 L CB -0.073 41.905 42.059 -0.135 0.000 0.901 73 L HN -0.051 nan 8.230 nan 0.000 0.433 74 E N -0.156 119.998 120.200 -0.076 0.000 2.415 74 E HA -0.022 4.327 4.350 -0.000 0.000 0.197 74 E C 0.182 176.744 176.600 -0.064 0.000 1.007 74 E CA 0.099 56.476 56.400 -0.038 0.000 0.890 74 E CB 0.187 29.883 29.700 -0.007 0.000 0.891 74 E HN 0.419 nan 8.360 nan 0.000 0.496 75 K N 1.269 121.612 120.400 -0.096 0.000 3.278 75 K HA -0.151 4.169 4.320 -0.000 0.000 0.270 75 K C -2.490 173.967 176.600 -0.238 0.000 0.955 75 K CA 0.242 56.438 56.287 -0.152 0.000 0.723 75 K CB -1.243 31.171 32.500 -0.144 0.000 1.382 75 K HN 0.223 nan 8.250 nan 0.000 0.461 76 P HA -0.000 nan 4.420 nan 0.000 0.274 76 P C 0.053 177.187 177.300 -0.277 0.000 1.231 76 P CA 0.129 63.137 63.100 -0.153 0.000 0.790 76 P CB 0.615 32.295 31.700 -0.034 0.000 0.951 77 H N -0.137 118.916 119.070 -0.029 0.000 2.431 77 H HA 0.114 4.667 4.556 -0.005 0.000 0.295 77 H C 0.030 175.117 175.328 -0.401 0.000 1.038 77 H CA 1.372 57.300 56.048 -0.199 0.000 1.360 77 H CB -0.208 29.453 29.762 -0.167 0.000 1.433 77 H HN 0.399 nan 8.280 nan 0.000 0.536 78 Y N -0.096 120.243 120.300 0.065 0.000 2.409 78 Y HA 0.407 4.958 4.550 0.001 0.000 0.343 78 Y C -0.517 175.316 175.900 -0.111 0.000 0.973 78 Y CA -0.939 57.126 58.100 -0.058 0.000 1.064 78 Y CB 1.880 40.263 38.460 -0.128 0.000 1.207 78 Y HN -0.089 nan 8.280 nan 0.000 0.452 79 I N 4.051 124.619 120.570 -0.004 0.000 2.362 79 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 79 I C -0.997 175.057 176.117 -0.104 0.000 0.994 79 I CA -0.892 60.381 61.300 -0.045 0.000 1.158 79 I CB 1.421 39.392 38.000 -0.048 0.000 1.315 79 I HN 0.297 nan 8.210 nan 0.000 0.451 80 V N 8.496 128.341 119.914 -0.115 0.000 2.266 80 V HA 0.262 4.382 4.120 -0.000 0.000 0.271 80 V C -2.327 173.737 176.094 -0.050 0.000 1.032 80 V CA -1.720 60.493 62.300 -0.146 0.000 0.806 80 V CB 1.012 32.702 31.823 -0.221 0.000 1.052 80 V HN 0.539 nan 8.190 nan 0.000 0.449 81 P HA 0.283 nan 4.420 nan 0.000 0.276 81 P C 0.279 177.572 177.300 -0.012 0.000 1.230 81 P CA 0.004 63.091 63.100 -0.022 0.000 0.776 81 P CB 1.168 32.854 31.700 -0.023 0.000 0.888 82 E N 2.124 122.317 120.200 -0.011 0.000 2.539 82 E HA 0.176 4.526 4.350 -0.000 0.000 0.215 82 E C 0.857 177.445 176.600 -0.020 0.000 0.965 82 E CA 0.185 56.576 56.400 -0.015 0.000 1.019 82 E CB 0.574 30.269 29.700 -0.008 0.000 1.059 82 E HN 0.532 nan 8.360 nan 0.000 0.496 83 I N -3.238 117.325 120.570 -0.013 0.000 3.264 83 I HA 0.351 4.521 4.170 -0.000 0.000 0.315 83 I C 0.598 176.712 176.117 -0.006 0.000 1.154 83 I CA -0.917 60.378 61.300 -0.008 0.000 0.962 83 I CB 1.902 39.904 38.000 0.003 0.000 1.265 83 I HN -0.350 nan 8.210 nan 0.000 0.463 84 E N 1.449 121.647 120.200 -0.003 0.000 2.230 84 E HA 0.129 4.479 4.350 -0.000 0.000 0.192 84 E C 0.966 177.565 176.600 -0.001 0.000 0.987 84 E CA 0.683 57.083 56.400 -0.001 0.000 0.841 84 E CB 0.199 29.901 29.700 0.002 0.000 0.783 84 E HN 0.690 nan 8.360 nan 0.000 0.481 85 A N 1.875 124.695 122.820 0.001 0.000 3.063 85 A HA 0.275 4.594 4.320 -0.000 0.000 0.263 85 A C -0.168 177.417 177.584 0.002 0.000 1.736 85 A CA 0.220 52.258 52.037 0.002 0.000 1.408 85 A CB -0.829 18.174 19.000 0.005 0.000 1.108 85 A HN 0.090 nan 8.150 nan 0.000 0.621 86 I N 0.322 120.891 120.570 -0.003 0.000 2.686 86 I HA 0.420 4.590 4.170 -0.000 0.000 0.295 86 I C 0.552 176.664 176.117 -0.008 0.000 1.114 86 I CA -0.884 60.412 61.300 -0.006 0.000 1.038 86 I CB 2.216 40.211 38.000 -0.008 0.000 1.238 86 I HN 0.336 nan 8.210 nan 0.000 0.420 87 A N 3.364 126.177 122.820 -0.010 0.000 2.639 87 A HA 0.153 4.472 4.320 -0.000 0.000 0.295 87 A C 1.117 178.692 177.584 -0.014 0.000 1.443 87 A CA 0.185 52.215 52.037 -0.012 0.000 1.117 87 A CB -0.385 18.607 19.000 -0.014 0.000 1.098 87 A HN 0.857 nan 8.150 nan 0.000 0.552 88 T N 1.446 115.993 114.554 -0.012 0.000 2.915 88 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 88 T C 1.318 176.010 174.700 -0.014 0.000 1.071 88 T CA 2.084 64.177 62.100 -0.012 0.000 1.132 88 T CB -0.232 68.631 68.868 -0.009 0.000 0.878 88 T HN 0.741 nan 8.240 nan 0.000 0.479 89 D N 0.428 120.820 120.400 -0.014 0.000 2.178 89 D HA -0.015 4.625 4.640 -0.000 0.000 0.202 89 D C 1.806 178.095 176.300 -0.018 0.000 0.974 89 D CA 0.641 54.632 54.000 -0.015 0.000 0.841 89 D CB -0.165 40.627 40.800 -0.014 0.000 0.953 89 D HN 0.231 nan 8.370 nan 0.000 0.478 90 M N -0.195 119.393 119.600 -0.020 0.000 2.254 90 M HA 0.040 4.520 4.480 -0.000 0.000 0.265 90 M C 1.444 177.728 176.300 -0.027 0.000 1.066 90 M CA 1.194 56.480 55.300 -0.024 0.000 1.123 90 M CB -0.182 32.403 32.600 -0.025 0.000 1.388 90 M HN -0.008 nan 8.290 nan 0.000 0.425 91 L N -0.835 120.374 121.223 -0.025 0.000 2.083 91 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 91 L C 2.315 179.169 176.870 -0.027 0.000 1.083 91 L CA 1.158 55.981 54.840 -0.027 0.000 0.752 91 L CB -0.694 41.351 42.059 -0.024 0.000 0.899 91 L HN 0.296 nan 8.230 nan 0.000 0.433 92 I N -0.593 119.963 120.570 -0.023 0.000 2.179 92 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 92 I C 2.654 178.756 176.117 -0.026 0.000 1.088 92 I CA 1.360 62.647 61.300 -0.022 0.000 1.357 92 I CB -0.226 37.764 38.000 -0.018 0.000 1.051 92 I HN 0.321 nan 8.210 nan 0.000 0.409 93 Q N 0.358 120.143 119.800 -0.026 0.000 2.084 93 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 93 Q C 2.386 178.366 176.000 -0.033 0.000 0.978 93 Q CA 1.440 57.226 55.803 -0.028 0.000 0.844 93 Q CB -0.153 28.569 28.738 -0.027 0.000 0.898 93 Q HN 0.513 nan 8.270 nan 0.000 0.426 94 L N 0.431 121.632 121.223 -0.037 0.000 2.083 94 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 94 L C 2.482 179.322 176.870 -0.049 0.000 1.083 94 L CA 1.292 56.105 54.840 -0.045 0.000 0.752 94 L CB -0.433 41.597 42.059 -0.049 0.000 0.899 94 L HN 0.322 nan 8.230 nan 0.000 0.433 95 E N 0.573 120.747 120.200 -0.044 0.000 2.077 95 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 95 E C 1.998 178.573 176.600 -0.043 0.000 0.989 95 E CA 1.318 57.690 56.400 -0.047 0.000 0.800 95 E CB 0.053 29.729 29.700 -0.039 0.000 0.746 95 E HN 0.470 nan 8.360 nan 0.000 0.452 96 E N 0.234 120.412 120.200 -0.036 0.000 2.118 96 E HA -0.202 4.147 4.350 -0.000 0.000 0.195 96 E C 1.635 178.214 176.600 -0.035 0.000 0.992 96 E CA 1.248 57.628 56.400 -0.032 0.000 0.804 96 E CB 0.013 29.697 29.700 -0.028 0.000 0.741 96 E HN 0.372 nan 8.360 nan 0.000 0.458 97 E N -1.106 119.071 120.200 -0.038 0.000 2.511 97 E HA 0.015 4.364 4.350 -0.000 0.000 0.196 97 E C 0.960 177.532 176.600 -0.046 0.000 1.066 97 E CA 0.314 56.690 56.400 -0.040 0.000 0.871 97 E CB 0.521 30.196 29.700 -0.042 0.000 0.863 97 E HN 0.393 nan 8.360 nan 0.000 0.520 98 G N 0.808 109.577 108.800 -0.051 0.000 2.211 98 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.201 98 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.201 98 G C 0.008 174.860 174.900 -0.079 0.000 0.997 98 G CA -0.437 44.628 45.100 -0.058 0.000 0.652 98 G HN 0.132 nan 8.290 nan 0.000 0.500 99 L N 1.466 122.637 121.223 -0.085 0.000 2.417 99 L HA 0.493 4.833 4.340 -0.000 0.000 0.268 99 L C 0.714 177.514 176.870 -0.118 0.000 1.158 99 L CA -0.206 54.567 54.840 -0.112 0.000 0.819 99 L CB 0.982 42.986 42.059 -0.092 0.000 1.112 99 L HN 0.324 nan 8.230 nan 0.000 0.458 100 N N 2.109 120.705 118.700 -0.172 0.000 2.437 100 N HA 0.315 5.055 4.740 -0.000 0.000 0.243 100 N C -1.313 174.152 175.510 -0.077 0.000 1.041 100 N CA -0.581 52.383 53.050 -0.144 0.000 0.940 100 N CB 0.697 39.023 38.487 -0.270 0.000 1.133 100 N HN 0.318 nan 8.380 nan 0.000 0.506 101 V N 4.062 123.944 119.914 -0.054 0.000 2.432 101 V HA 0.199 4.318 4.120 -0.000 0.000 0.275 101 V C 0.190 176.258 176.094 -0.044 0.000 1.043 101 V CA -0.684 61.586 62.300 -0.050 0.000 0.925 101 V CB 1.375 33.172 31.823 -0.042 0.000 0.985 101 V HN 0.342 nan 8.190 nan 0.000 0.466 102 V N 8.648 128.509 119.914 -0.089 0.000 2.406 102 V HA 0.256 4.376 4.120 -0.000 0.000 0.272 102 V C -1.018 175.041 176.094 -0.059 0.000 1.043 102 V CA -0.974 61.261 62.300 -0.108 0.000 0.915 102 V CB 1.658 33.266 31.823 -0.359 0.000 0.988 102 V HN 0.793 nan 8.190 nan 0.000 0.466 103 P HA 0.047 nan 4.420 nan 0.000 0.221 103 P C 0.263 177.593 177.300 0.049 0.000 1.155 103 P CA 0.669 63.791 63.100 0.036 0.000 0.812 103 P CB 0.381 32.118 31.700 0.063 0.000 0.801 104 C N -4.142 115.179 119.300 0.035 0.000 3.303 104 C HA 0.785 5.245 4.460 -0.000 0.000 0.340 104 C C 1.678 176.675 174.990 0.011 0.000 1.274 104 C CA -0.187 58.841 59.018 0.018 0.000 1.234 104 C CB 0.765 28.516 27.740 0.019 0.000 1.532 104 C HN 0.157 nan 8.230 nan 0.000 0.483 105 A N 0.949 123.767 122.820 -0.004 0.000 1.930 105 A HA -0.053 4.266 4.320 -0.000 0.000 0.217 105 A C 2.318 179.905 177.584 0.005 0.000 1.175 105 A CA 1.848 53.882 52.037 -0.006 0.000 0.627 105 A CB -0.635 18.355 19.000 -0.016 0.000 0.815 105 A HN 1.031 nan 8.150 nan 0.000 0.443 106 R N -0.180 120.326 120.500 0.010 0.000 2.096 106 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 106 R C 2.182 178.502 176.300 0.034 0.000 1.127 106 R CA 1.491 57.600 56.100 0.016 0.000 0.968 106 R CB -0.422 29.885 30.300 0.013 0.000 0.861 106 R HN 0.404 nan 8.270 nan 0.000 0.440 107 A N 0.262 123.117 122.820 0.059 0.000 1.933 107 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 107 A C 2.249 179.875 177.584 0.069 0.000 1.175 107 A CA 2.052 54.148 52.037 0.099 0.000 0.628 107 A CB -1.059 18.041 19.000 0.166 0.000 0.814 107 A HN 0.676 nan 8.150 nan 0.000 0.444 108 T N -1.785 112.791 114.554 0.036 0.000 2.777 108 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 108 T C 1.903 176.614 174.700 0.019 0.000 1.040 108 T CA 1.679 63.790 62.100 0.020 0.000 1.141 108 T CB -0.292 68.577 68.868 0.001 0.000 0.868 108 T HN 0.524 nan 8.240 nan 0.000 0.444 109 K N 0.739 121.148 120.400 0.014 0.000 2.057 109 K HA 0.033 4.353 4.320 -0.000 0.000 0.207 109 K C 2.391 178.998 176.600 0.012 0.000 1.049 109 K CA 1.210 57.502 56.287 0.007 0.000 0.931 109 K CB -0.383 32.118 32.500 0.001 0.000 0.714 109 K HN 0.407 nan 8.250 nan 0.000 0.440 110 L N 0.623 121.860 121.223 0.022 0.000 2.093 110 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 110 L C 2.468 179.362 176.870 0.040 0.000 1.085 110 L CA 1.688 56.543 54.840 0.025 0.000 0.755 110 L CB -0.504 41.575 42.059 0.032 0.000 0.904 110 L HN 0.428 nan 8.230 nan 0.000 0.435 111 T N -3.153 111.434 114.554 0.054 0.000 3.081 111 T HA -0.042 4.308 4.350 -0.000 0.000 0.255 111 T C 1.579 176.306 174.700 0.044 0.000 1.113 111 T CA 0.562 62.702 62.100 0.065 0.000 1.082 111 T CB -0.136 68.785 68.868 0.088 0.000 0.939 111 T HN 0.305 nan 8.240 nan 0.000 0.506 112 M N 0.599 120.216 119.600 0.028 0.000 2.492 112 M HA 0.291 4.771 4.480 -0.000 0.000 0.262 112 M C 0.484 176.793 176.300 0.015 0.000 1.090 112 M CA 0.688 55.998 55.300 0.018 0.000 1.110 112 M CB -0.373 32.231 32.600 0.008 0.000 1.407 112 M HN 0.045 nan 8.290 nan 0.000 0.470 113 N N 1.145 119.854 118.700 0.016 0.000 2.443 113 N HA 0.297 5.037 4.740 -0.000 0.000 0.269 113 N C 0.021 175.549 175.510 0.030 0.000 0.985 113 N CA -0.191 52.866 53.050 0.011 0.000 0.921 113 N CB 1.090 39.568 38.487 -0.016 0.000 1.195 113 N HN 0.284 nan 8.380 nan 0.000 0.492 114 R N 1.719 122.259 120.500 0.067 0.000 2.139 114 R HA -0.176 4.164 4.340 -0.000 0.000 0.243 114 R C 1.317 177.704 176.300 0.144 0.000 1.145 114 R CA 1.416 57.589 56.100 0.121 0.000 0.976 114 R CB 0.152 30.558 30.300 0.177 0.000 0.866 114 R HN 0.693 nan 8.270 nan 0.000 0.449 115 E N -0.038 120.176 120.200 0.023 0.000 2.106 115 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 115 E C 2.046 178.560 176.600 -0.143 0.000 0.984 115 E CA 1.061 57.306 56.400 -0.259 0.000 0.806 115 E CB -0.100 29.147 29.700 -0.755 0.000 0.750 115 E HN 0.415 nan 8.360 nan 0.000 0.458 116 G N 1.419 110.170 108.800 -0.081 0.000 2.459 116 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.217 116 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.217 116 G C 1.532 176.428 174.900 -0.007 0.000 1.183 116 G CA 0.933 46.006 45.100 -0.046 0.000 0.776 116 G HN 0.347 nan 8.290 nan 0.000 0.552 117 I N 0.396 120.985 120.570 0.032 0.000 2.353 117 I HA 0.052 4.222 4.170 -0.000 0.000 0.248 117 I C 2.565 178.727 176.117 0.074 0.000 1.119 117 I CA 1.139 62.481 61.300 0.070 0.000 1.417 117 I CB -0.227 37.849 38.000 0.128 0.000 1.078 117 I HN 0.102 nan 8.210 nan 0.000 0.421 118 R N 0.996 121.534 120.500 0.063 0.000 2.073 118 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 118 R C 2.370 178.623 176.300 -0.078 0.000 1.134 118 R CA 1.721 57.809 56.100 -0.020 0.000 0.952 118 R CB -0.514 29.710 30.300 -0.127 0.000 0.850 118 R HN 0.319 nan 8.270 nan 0.000 0.433 119 R N -0.049 120.440 120.500 -0.018 0.000 2.096 119 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 119 R C 2.215 178.526 176.300 0.019 0.000 1.127 119 R CA 1.394 57.519 56.100 0.042 0.000 0.968 119 R CB -0.702 29.624 30.300 0.044 0.000 0.861 119 R HN 0.217 nan 8.270 nan 0.000 0.440 120 L N 0.937 122.152 121.223 -0.012 0.000 1.989 120 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 120 L C 2.289 179.115 176.870 -0.075 0.000 1.071 120 L CA 2.159 56.978 54.840 -0.036 0.000 0.749 120 L CB -0.692 41.343 42.059 -0.040 0.000 0.890 120 L HN 0.107 nan 8.230 nan 0.000 0.431 121 A N -0.509 122.241 122.820 -0.117 0.000 1.855 121 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 121 A C 2.405 179.921 177.584 -0.114 0.000 1.191 121 A CA 1.952 53.846 52.037 -0.238 0.000 0.613 121 A CB -1.298 17.420 19.000 -0.470 0.000 0.829 121 A HN 0.603 nan 8.150 nan 0.000 0.442 122 A N -0.621 122.196 122.820 -0.004 0.000 1.930 122 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 122 A C 1.904 179.549 177.584 0.102 0.000 1.176 122 A CA 1.548 53.643 52.037 0.097 0.000 0.632 122 A CB -0.290 18.867 19.000 0.261 0.000 0.819 122 A HN 0.634 nan 8.150 nan 0.000 0.445 123 E N -0.475 119.782 120.200 0.094 0.000 2.057 123 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 123 E C 1.965 178.584 176.600 0.031 0.000 0.959 123 E CA 0.727 57.176 56.400 0.082 0.000 0.828 123 E CB -0.168 29.601 29.700 0.115 0.000 0.800 123 E HN 0.626 nan 8.360 nan 0.000 0.460 124 E N 0.900 121.106 120.200 0.010 0.000 2.072 124 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 124 E C 1.991 178.575 176.600 -0.028 0.000 0.985 124 E CA 0.819 57.213 56.400 -0.010 0.000 0.801 124 E CB 0.086 29.774 29.700 -0.019 0.000 0.750 124 E HN 0.201 nan 8.360 nan 0.000 0.452 125 L N 0.283 121.475 121.223 -0.052 0.000 2.529 125 L HA 0.045 4.385 4.340 -0.000 0.000 0.223 125 L C 0.270 177.104 176.870 -0.060 0.000 1.113 125 L CA -0.046 54.749 54.840 -0.074 0.000 0.861 125 L CB 0.179 42.157 42.059 -0.134 0.000 1.012 125 L HN 0.021 nan 8.230 nan 0.000 0.461 126 Q N 0.538 120.319 119.800 -0.032 0.000 2.475 126 Q HA -0.180 4.159 4.340 -0.000 0.000 0.280 126 Q C -0.311 175.678 176.000 -0.019 0.000 1.234 126 Q CA 0.882 56.679 55.803 -0.009 0.000 0.873 126 Q CB -2.151 26.584 28.738 -0.004 0.000 1.256 126 Q HN 0.482 nan 8.270 nan 0.000 0.475 127 L N 1.612 122.806 121.223 -0.048 0.000 2.375 127 L HA 0.377 4.717 4.340 -0.000 0.000 0.271 127 L C -1.483 175.401 176.870 0.025 0.000 1.107 127 L CA -1.848 52.960 54.840 -0.054 0.000 0.806 127 L CB 0.328 42.279 42.059 -0.179 0.000 1.146 127 L HN -0.121 nan 8.230 nan 0.000 0.447 128 P HA 0.139 nan 4.420 nan 0.000 0.276 128 P C -0.657 176.731 177.300 0.148 0.000 1.235 128 P CA -0.124 63.031 63.100 0.091 0.000 0.772 128 P CB 1.033 32.778 31.700 0.074 0.000 0.871 129 T N -1.093 113.566 114.554 0.175 0.000 2.812 129 T HA 0.532 4.882 4.350 -0.000 0.000 0.294 129 T C 0.096 174.925 174.700 0.215 0.000 1.159 129 T CA -0.711 61.514 62.100 0.208 0.000 1.008 129 T CB 0.734 69.746 68.868 0.241 0.000 1.289 129 T HN 0.366 nan 8.240 nan 0.000 0.514 130 S N 0.970 116.810 115.700 0.233 0.000 2.589 130 S HA 0.429 4.899 4.470 -0.000 0.000 0.265 130 S C 0.708 175.454 174.600 0.243 0.000 1.342 130 S CA -0.163 58.172 58.200 0.225 0.000 1.005 130 S CB -0.371 62.972 63.200 0.238 0.000 0.909 130 S HN 1.300 nan 8.310 nan 0.000 0.555 131 T N -0.303 114.335 114.554 0.140 0.000 2.856 131 T HA 0.459 4.809 4.350 -0.000 0.000 0.306 131 T C -0.416 174.353 174.700 0.115 0.000 1.062 131 T CA -0.367 61.765 62.100 0.053 0.000 1.083 131 T CB -0.314 68.532 68.868 -0.036 0.000 0.984 131 T HN 1.093 nan 8.240 nan 0.000 0.542 132 Y N -1.903 118.355 120.300 -0.069 0.000 2.624 132 Y HA 0.776 5.326 4.550 -0.000 0.000 0.334 132 Y C -0.899 174.879 175.900 -0.203 0.000 1.155 132 Y CA -1.637 56.363 58.100 -0.167 0.000 1.046 132 Y CB 1.546 39.872 38.460 -0.223 0.000 1.316 132 Y HN 0.774 nan 8.280 nan 0.000 0.457 133 R N 1.732 122.126 120.500 -0.177 0.000 2.626 133 R HA 0.541 4.881 4.340 -0.000 0.000 0.274 133 R C -2.044 174.109 176.300 -0.244 0.000 1.031 133 R CA -0.814 55.193 56.100 -0.156 0.000 0.898 133 R CB 2.234 32.480 30.300 -0.090 0.000 1.222 133 R HN 0.644 nan 8.270 nan 0.000 0.455 134 F N 0.884 120.944 119.950 0.183 0.000 2.403 134 F HA 0.744 5.271 4.527 -0.000 0.000 0.326 134 F C 0.435 176.335 175.800 0.167 0.000 1.081 134 F CA -0.442 57.665 58.000 0.179 0.000 1.041 134 F CB 1.919 41.014 39.000 0.159 0.000 1.234 134 F HN 0.508 nan 8.300 nan 0.000 0.503 135 A N 0.951 124.011 122.820 0.401 0.000 2.517 135 A HA 0.521 4.840 4.320 -0.000 0.000 0.297 135 A C -1.055 176.750 177.584 0.369 0.000 1.050 135 A CA -0.701 51.535 52.037 0.333 0.000 0.694 135 A CB 1.025 20.236 19.000 0.353 0.000 1.277 135 A HN 0.732 nan 8.150 nan 0.000 0.400 136 D N 0.113 120.682 120.400 0.282 0.000 2.479 136 D HA 0.267 4.907 4.640 -0.000 0.000 0.218 136 D C 0.254 176.754 176.300 0.334 0.000 1.177 136 D CA 0.621 54.806 54.000 0.308 0.000 0.830 136 D CB 0.194 41.113 40.800 0.200 0.000 1.014 136 D HN 0.649 nan 8.370 nan 0.000 0.503 137 S N -1.764 114.034 115.700 0.163 0.000 2.579 137 S HA 0.327 4.797 4.470 -0.000 0.000 0.272 137 S C 0.621 174.787 174.600 -0.723 0.000 1.141 137 S CA -0.825 57.318 58.200 -0.096 0.000 0.843 137 S CB 2.196 65.374 63.200 -0.036 0.000 1.122 137 S HN -0.075 nan 8.310 nan 0.000 0.468 138 E N 1.115 120.666 120.200 -1.080 0.000 2.110 138 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 138 E C 1.809 178.133 176.600 -0.461 0.000 0.988 138 E CA 1.845 57.478 56.400 -1.280 0.000 0.804 138 E CB -0.217 28.763 29.700 -1.200 0.000 0.745 138 E HN 0.776 nan 8.360 nan 0.000 0.458 139 S N 0.562 116.093 115.700 -0.280 0.000 2.383 139 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 139 S C 2.057 176.585 174.600 -0.119 0.000 1.026 139 S CA 0.512 58.621 58.200 -0.152 0.000 0.981 139 S CB -0.261 62.881 63.200 -0.097 0.000 0.818 139 S HN 0.224 nan 8.310 nan 0.000 0.472 140 L N 0.420 121.583 121.223 -0.100 0.000 2.093 140 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 140 L C 2.365 179.230 176.870 -0.009 0.000 1.085 140 L CA 1.559 56.380 54.840 -0.033 0.000 0.755 140 L CB -1.231 40.841 42.059 0.023 0.000 0.904 140 L HN 0.406 nan 8.230 nan 0.000 0.435 141 F N 1.373 121.217 119.950 -0.177 0.000 2.102 141 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 141 F C 2.662 178.416 175.800 -0.076 0.000 1.105 141 F CA 1.512 59.459 58.000 -0.088 0.000 1.239 141 F CB -0.300 38.622 39.000 -0.130 0.000 0.991 141 F HN -0.062 nan 8.300 nan 0.000 0.474 142 R N 0.397 120.669 120.500 -0.380 0.000 2.081 142 R HA -0.152 4.187 4.340 -0.000 0.000 0.235 142 R C 2.141 178.269 176.300 -0.287 0.000 1.131 142 R CA 1.879 57.740 56.100 -0.399 0.000 0.960 142 R CB -0.583 29.599 30.300 -0.198 0.000 0.856 142 R HN 0.451 nan 8.270 nan 0.000 0.436 143 E N 0.577 120.666 120.200 -0.186 0.000 2.110 143 E HA -0.162 4.187 4.350 -0.000 0.000 0.193 143 E C 2.083 178.588 176.600 -0.158 0.000 0.988 143 E CA 1.085 57.403 56.400 -0.137 0.000 0.804 143 E CB -0.108 29.542 29.700 -0.083 0.000 0.745 143 E HN 0.368 nan 8.360 nan 0.000 0.458 144 A N 1.007 123.727 122.820 -0.167 0.000 1.877 144 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 144 A C 2.526 179.965 177.584 -0.241 0.000 1.186 144 A CA 1.295 53.239 52.037 -0.154 0.000 0.620 144 A CB -0.768 18.186 19.000 -0.077 0.000 0.822 144 A HN 0.122 nan 8.150 nan 0.000 0.443 145 V N -0.050 119.635 119.914 -0.382 0.000 2.332 145 V HA -0.280 3.839 4.120 -0.000 0.000 0.248 145 V C 3.063 178.906 176.094 -0.417 0.000 1.055 145 V CA 2.006 64.025 62.300 -0.468 0.000 1.038 145 V CB -1.304 30.149 31.823 -0.617 0.000 0.651 145 V HN 0.630 nan 8.190 nan 0.000 0.450 146 A N -0.449 122.193 122.820 -0.296 0.000 1.940 146 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 146 A C 2.055 179.537 177.584 -0.170 0.000 1.176 146 A CA 2.273 54.191 52.037 -0.198 0.000 0.631 146 A CB -0.572 18.354 19.000 -0.124 0.000 0.814 146 A HN 0.545 nan 8.150 nan 0.000 0.446 147 D N -0.650 119.651 120.400 -0.165 0.000 2.162 147 D HA -0.031 4.609 4.640 -0.000 0.000 0.203 147 D C 1.860 178.070 176.300 -0.150 0.000 0.967 147 D CA 0.606 54.526 54.000 -0.133 0.000 0.840 147 D CB -0.069 40.662 40.800 -0.115 0.000 0.972 147 D HN 0.293 nan 8.370 nan 0.000 0.482 148 I N 0.247 120.702 120.570 -0.192 0.000 2.315 148 I HA 0.060 4.230 4.170 -0.000 0.000 0.248 148 I C 1.535 177.531 176.117 -0.201 0.000 1.117 148 I CA 1.129 62.319 61.300 -0.185 0.000 1.404 148 I CB -1.293 36.591 38.000 -0.193 0.000 1.071 148 I HN 0.099 nan 8.210 nan 0.000 0.419 149 G N -0.184 108.435 108.800 -0.303 0.000 2.757 149 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.638 149 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.638 149 G C -0.910 173.732 174.900 -0.431 0.000 1.344 149 G CA -0.693 44.221 45.100 -0.311 0.000 0.855 149 G HN 0.181 nan 8.290 nan 0.000 0.537 150 Y N 1.097 121.354 120.300 -0.072 0.000 2.361 150 Y HA 0.609 5.159 4.550 -0.000 0.000 0.332 150 Y C -0.841 175.018 175.900 -0.068 0.000 1.101 150 Y CA -1.113 56.939 58.100 -0.079 0.000 1.137 150 Y CB 1.491 39.920 38.460 -0.050 0.000 1.207 150 Y HN 0.634 nan 8.280 nan 0.000 0.463 151 P HA 0.451 nan 4.420 nan 0.000 0.278 151 P C -1.029 176.123 177.300 -0.247 0.000 1.258 151 P CA -0.463 62.603 63.100 -0.057 0.000 0.811 151 P CB 1.121 32.684 31.700 -0.228 0.000 1.063 152 C N -1.202 117.892 119.300 -0.342 0.000 3.291 152 C HA 0.802 5.262 4.460 -0.000 0.000 0.316 152 C C -0.683 174.124 174.990 -0.304 0.000 1.391 152 C CA -0.947 57.895 59.018 -0.294 0.000 1.394 152 C CB 0.458 28.055 27.740 -0.239 0.000 1.744 152 C HN 0.509 nan 8.230 nan 0.000 0.461 153 I N 1.329 121.810 120.570 -0.148 0.000 2.509 153 I HA 0.640 4.810 4.170 -0.000 0.000 0.293 153 I C -0.374 175.785 176.117 0.070 0.000 1.020 153 I CA -0.642 60.638 61.300 -0.032 0.000 1.088 153 I CB 1.864 39.884 38.000 0.034 0.000 1.267 153 I HN 0.719 nan 8.210 nan 0.000 0.430 154 V N 6.836 126.834 119.914 0.140 0.000 2.581 154 V HA 0.629 4.749 4.120 -0.000 0.000 0.303 154 V C -0.865 175.296 176.094 0.110 0.000 1.041 154 V CA -0.246 62.156 62.300 0.170 0.000 0.907 154 V CB 1.780 33.778 31.823 0.291 0.000 0.994 154 V HN 0.781 nan 8.190 nan 0.000 0.442 155 K N 6.463 126.910 120.400 0.079 0.000 2.527 155 K HA 0.566 4.886 4.320 -0.000 0.000 0.260 155 K C -2.976 173.633 176.600 0.015 0.000 0.937 155 K CA -1.838 54.472 56.287 0.038 0.000 0.826 155 K CB 2.190 34.727 32.500 0.063 0.000 1.359 155 K HN 0.361 nan 8.250 nan 0.000 0.434 156 P HA -0.056 nan 4.420 nan 0.000 0.271 156 P C 0.959 178.273 177.300 0.023 0.000 1.218 156 P CA -0.465 62.604 63.100 -0.052 0.000 0.780 156 P CB 0.704 32.335 31.700 -0.115 0.000 0.901 157 V N -0.304 119.647 119.914 0.061 0.000 2.719 157 V HA 0.071 4.191 4.120 -0.000 0.000 0.252 157 V C 0.818 176.936 176.094 0.040 0.000 1.065 157 V CA 1.429 63.785 62.300 0.095 0.000 1.086 157 V CB -0.894 31.003 31.823 0.122 0.000 0.700 157 V HN 0.338 nan 8.190 nan 0.000 0.467 158 M N 1.873 121.476 119.600 0.006 0.000 2.151 158 M HA 0.478 4.958 4.480 -0.000 0.000 0.290 158 M C -0.115 176.166 176.300 -0.030 0.000 0.965 158 M CA -0.188 55.107 55.300 -0.008 0.000 0.930 158 M CB 2.384 34.976 32.600 -0.012 0.000 1.560 158 M HN 0.383 nan 8.290 nan 0.000 0.438 164 G N 0.631 109.137 108.800 -0.492 0.000 2.137 164 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.237 164 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.237 164 G C 0.007 174.684 174.900 -0.372 0.000 1.002 164 G CA 0.714 45.264 45.100 -0.916 0.000 0.702 164 G HN 0.852 nan 8.290 nan 0.000 0.515 165 Q N 0.142 119.939 119.800 -0.004 0.000 2.230 165 Q HA 0.668 5.008 4.340 -0.000 0.000 0.253 165 Q C -0.409 175.778 176.000 0.312 0.000 0.919 165 Q CA -0.069 55.827 55.803 0.155 0.000 0.908 165 Q CB 1.702 30.524 28.738 0.141 0.000 1.245 165 Q HN 0.204 nan 8.270 nan 0.000 0.437 166 T N 1.607 116.318 114.554 0.261 0.000 2.952 166 T HA 0.310 4.660 4.350 -0.000 0.000 0.305 166 T C -1.499 173.354 174.700 0.255 0.000 1.064 166 T CA -0.597 61.666 62.100 0.270 0.000 1.008 166 T CB 0.667 69.692 68.868 0.261 0.000 1.078 166 T HN 0.413 nan 8.240 nan 0.000 0.459 167 F N 4.484 124.512 119.950 0.130 0.000 2.375 167 F HA 0.570 5.097 4.527 -0.000 0.000 0.362 167 F C -0.464 175.412 175.800 0.127 0.000 1.129 167 F CA -1.207 56.861 58.000 0.113 0.000 1.154 167 F CB 0.012 39.059 39.000 0.078 0.000 1.205 167 F HN 0.421 nan 8.300 nan 0.000 0.513 168 I N 7.788 128.355 120.570 -0.005 0.000 2.304 168 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 168 I C 0.711 176.913 176.117 0.143 0.000 1.018 168 I CA -0.293 61.089 61.300 0.136 0.000 1.260 168 I CB 1.353 39.470 38.000 0.195 0.000 1.390 168 I HN 0.635 nan 8.210 nan 0.000 0.475 169 R N 3.288 123.921 120.500 0.223 0.000 2.265 169 R HA 0.174 4.514 4.340 -0.000 0.000 0.194 169 R C 0.256 176.533 176.300 -0.037 0.000 0.931 169 R CA 0.198 56.407 56.100 0.181 0.000 1.032 169 R CB 0.272 30.687 30.300 0.190 0.000 0.980 169 R HN 0.776 nan 8.270 nan 0.000 0.497 170 S N -1.924 113.705 115.700 -0.118 0.000 2.587 170 S HA 0.495 4.965 4.470 -0.000 0.000 0.269 170 S C 0.433 174.897 174.600 -0.226 0.000 1.154 170 S CA -0.450 57.428 58.200 -0.538 0.000 0.824 170 S CB 1.466 64.486 63.200 -0.300 0.000 1.118 170 S HN -0.025 nan 8.310 nan 0.000 0.462 171 A N 0.894 123.525 122.820 -0.315 0.000 1.986 171 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 171 A C 1.762 179.370 177.584 0.038 0.000 1.171 171 A CA 2.075 54.120 52.037 0.013 0.000 0.640 171 A CB -1.304 17.693 19.000 -0.004 0.000 0.811 171 A HN 0.935 nan 8.150 nan 0.000 0.451 172 E N -0.209 119.981 120.200 -0.016 0.000 2.147 172 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 172 E C 2.043 178.686 176.600 0.071 0.000 1.005 172 E CA 1.746 58.158 56.400 0.021 0.000 0.810 172 E CB -0.241 29.459 29.700 -0.001 0.000 0.736 172 E HN 0.841 nan 8.360 nan 0.000 0.460 173 Q N 0.227 120.088 119.800 0.102 0.000 2.432 173 Q HA 0.014 4.354 4.340 -0.000 0.000 0.205 173 Q C 2.101 178.237 176.000 0.226 0.000 0.945 173 Q CA 0.177 56.070 55.803 0.150 0.000 0.924 173 Q CB 0.013 28.847 28.738 0.160 0.000 1.016 173 Q HN 0.302 nan 8.270 nan 0.000 0.503 174 L N 0.797 122.173 121.223 0.256 0.000 2.010 174 L HA -0.338 4.002 4.340 -0.000 0.000 0.219 174 L C 2.578 179.697 176.870 0.414 0.000 1.077 174 L CA 1.573 56.642 54.840 0.381 0.000 0.773 174 L CB -0.911 41.305 42.059 0.262 0.000 0.892 174 L HN 0.307 nan 8.230 nan 0.000 0.436 175 A N -0.653 122.326 122.820 0.264 0.000 1.883 175 A HA -0.294 4.025 4.320 -0.000 0.000 0.217 175 A C 2.210 179.933 177.584 0.230 0.000 1.186 175 A CA 2.075 54.253 52.037 0.236 0.000 0.624 175 A CB -0.597 18.497 19.000 0.157 0.000 0.822 175 A HN 0.435 nan 8.150 nan 0.000 0.444 176 Q N -0.294 119.613 119.800 0.178 0.000 2.119 176 Q HA 0.034 4.373 4.340 -0.000 0.000 0.201 176 Q C 2.050 178.144 176.000 0.156 0.000 0.972 176 Q CA 1.982 57.866 55.803 0.135 0.000 0.847 176 Q CB -0.672 28.110 28.738 0.073 0.000 0.903 176 Q HN 0.552 nan 8.270 nan 0.000 0.433 177 A N 0.360 123.301 122.820 0.202 0.000 1.908 177 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 177 A C 2.008 179.618 177.584 0.044 0.000 1.181 177 A CA 1.490 53.646 52.037 0.198 0.000 0.627 177 A CB -1.440 17.746 19.000 0.310 0.000 0.818 177 A HN 0.782 nan 8.150 nan 0.000 0.445 178 W N 0.933 122.102 121.300 -0.219 0.000 2.355 178 W HA -0.224 4.436 4.660 -0.000 0.000 0.309 178 W C 2.055 178.477 176.519 -0.162 0.000 1.206 178 W CA 2.222 59.308 57.345 -0.432 0.000 1.284 178 W CB -0.304 28.929 29.460 -0.378 0.000 1.145 178 W HN 0.370 nan 8.180 nan 0.000 0.502 179 K N -0.086 120.280 120.400 -0.056 0.000 2.020 179 K HA -0.330 3.990 4.320 -0.000 0.000 0.212 179 K C 2.214 178.761 176.600 -0.090 0.000 1.050 179 K CA 2.345 58.589 56.287 -0.072 0.000 0.929 179 K CB -1.338 31.209 32.500 0.080 0.000 0.714 179 K HN 0.129 nan 8.250 nan 0.000 0.443 180 Y N 0.411 120.614 120.300 -0.162 0.000 2.224 180 Y HA -0.089 4.460 4.550 -0.000 0.000 0.289 180 Y C 1.966 177.748 175.900 -0.196 0.000 1.146 180 Y CA 1.269 59.287 58.100 -0.136 0.000 1.182 180 Y CB -0.652 37.769 38.460 -0.065 0.000 0.983 180 Y HN 0.201 nan 8.280 nan 0.000 0.524 181 A N -0.281 122.344 122.820 -0.326 0.000 1.969 181 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 181 A C 2.099 179.382 177.584 -0.502 0.000 1.169 181 A CA 1.510 53.281 52.037 -0.442 0.000 0.635 181 A CB -0.427 18.322 19.000 -0.417 0.000 0.810 181 A HN 0.471 nan 8.150 nan 0.000 0.445 182 Q N -0.227 119.202 119.800 -0.619 0.000 2.049 182 Q HA -0.175 4.165 4.340 -0.000 0.000 0.198 182 Q C 2.149 177.960 176.000 -0.314 0.000 0.971 182 Q CA 1.806 57.286 55.803 -0.538 0.000 0.833 182 Q CB -0.492 27.858 28.738 -0.647 0.000 0.896 182 Q HN 0.838 nan 8.270 nan 0.000 0.434 183 Q N -0.455 119.188 119.800 -0.262 0.000 2.124 183 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 183 Q C 1.947 177.824 176.000 -0.205 0.000 0.977 183 Q CA 1.349 57.048 55.803 -0.173 0.000 0.850 183 Q CB -0.282 28.403 28.738 -0.089 0.000 0.901 183 Q HN 0.465 nan 8.270 nan 0.000 0.429 184 G N 0.188 108.792 108.800 -0.326 0.000 2.650 184 G HA2 0.071 4.031 3.960 -0.000 0.000 0.214 184 G HA3 0.071 4.031 3.960 -0.000 0.000 0.214 184 G C 0.538 175.308 174.900 -0.218 0.000 1.136 184 G CA 0.307 45.216 45.100 -0.318 0.000 0.789 184 G HN 0.333 nan 8.290 nan 0.000 0.536 185 G N -0.536 108.140 108.800 -0.207 0.000 2.504 185 G HA2 0.445 4.405 3.960 -0.000 0.000 0.288 185 G HA3 0.445 4.405 3.960 -0.000 0.000 0.288 185 G C -0.068 174.771 174.900 -0.102 0.000 1.182 185 G CA -0.887 44.125 45.100 -0.147 0.000 0.894 185 G HN 0.358 nan 8.290 nan 0.000 0.521 186 R N 0.252 120.709 120.500 -0.071 0.000 2.640 186 R HA 0.283 4.623 4.340 -0.000 0.000 0.270 186 R C 1.312 177.583 176.300 -0.049 0.000 1.024 186 R CA 0.905 56.976 56.100 -0.049 0.000 1.085 186 R CB 0.004 30.285 30.300 -0.033 0.000 0.963 186 R HN 1.399 nan 8.270 nan 0.000 0.426 187 A N 2.626 125.424 122.820 -0.038 0.000 3.100 187 A HA -0.242 4.078 4.320 -0.000 0.000 0.268 187 A C 1.265 178.823 177.584 -0.042 0.000 1.227 187 A CA 1.745 53.763 52.037 -0.032 0.000 0.967 187 A CB -2.303 16.684 19.000 -0.022 0.000 1.066 187 A HN 1.917 nan 8.150 nan 0.000 0.787 188 G N -2.934 105.828 108.800 -0.065 0.000 2.168 188 G HA2 0.333 4.293 3.960 -0.000 0.000 0.257 188 G HA3 0.333 4.293 3.960 -0.000 0.000 0.257 188 G C 0.576 175.420 174.900 -0.093 0.000 0.997 188 G CA 1.339 46.389 45.100 -0.082 0.000 0.708 188 G HN 2.916 nan 8.290 nan 0.000 0.520 189 A N -1.632 121.136 122.820 -0.087 0.000 2.547 189 A HA 1.033 5.353 4.320 -0.000 0.000 0.298 189 A C 0.266 177.816 177.584 -0.057 0.000 1.062 189 A CA 0.785 52.776 52.037 -0.076 0.000 0.748 189 A CB 1.094 20.081 19.000 -0.021 0.000 1.288 189 A HN 2.309 nan 8.150 nan 0.000 0.396 190 G N 0.413 109.177 108.800 -0.060 0.000 2.315 190 G HA2 0.497 4.457 3.960 -0.000 0.000 0.294 190 G HA3 0.497 4.457 3.960 -0.000 0.000 0.294 190 G C -0.918 173.996 174.900 0.023 0.000 1.300 190 G CA -0.606 44.488 45.100 -0.011 0.000 0.843 190 G HN 0.948 nan 8.290 nan 0.000 0.527 191 R N -0.773 119.770 120.500 0.072 0.000 2.694 191 R HA 0.558 4.898 4.340 -0.000 0.000 0.268 191 R C 0.504 176.892 176.300 0.147 0.000 1.061 191 R CA 0.136 56.327 56.100 0.153 0.000 1.133 191 R CB 0.848 31.232 30.300 0.140 0.000 1.020 191 R HN 1.089 nan 8.270 nan 0.000 0.475 192 V N 1.810 121.871 119.914 0.244 0.000 3.113 192 V HA 0.646 4.766 4.120 -0.000 0.000 0.316 192 V C -0.424 175.858 176.094 0.312 0.000 1.125 192 V CA -1.072 61.351 62.300 0.205 0.000 1.026 192 V CB 1.770 33.680 31.823 0.145 0.000 1.080 192 V HN 0.823 nan 8.190 nan 0.000 0.444 193 I N 1.528 122.210 120.570 0.186 0.000 2.530 193 I HA 0.710 4.880 4.170 -0.000 0.000 0.297 193 I C -1.228 174.899 176.117 0.017 0.000 1.011 193 I CA -0.926 60.352 61.300 -0.038 0.000 1.107 193 I CB 2.036 39.959 38.000 -0.127 0.000 1.285 193 I HN 0.601 nan 8.210 nan 0.000 0.436 194 V N 6.906 126.800 119.914 -0.033 0.000 2.378 194 V HA 0.429 4.549 4.120 -0.000 0.000 0.288 194 V C -0.480 175.595 176.094 -0.032 0.000 1.016 194 V CA -0.542 61.774 62.300 0.027 0.000 0.840 194 V CB 1.433 33.280 31.823 0.040 0.000 0.994 194 V HN 0.705 nan 8.190 nan 0.000 0.431 195 E N 2.614 122.812 120.200 -0.004 0.000 2.195 195 E HA 0.594 4.944 4.350 -0.000 0.000 0.271 195 E C 0.286 176.875 176.600 -0.018 0.000 0.923 195 E CA -0.705 55.706 56.400 0.020 0.000 0.790 195 E CB 2.254 31.999 29.700 0.074 0.000 1.155 195 E HN 0.803 nan 8.360 nan 0.000 0.402 196 G N 0.960 109.757 108.800 -0.005 0.000 2.441 196 G HA2 0.208 4.168 3.960 -0.000 0.000 0.243 196 G HA3 0.208 4.168 3.960 -0.000 0.000 0.243 196 G C -0.055 174.840 174.900 -0.008 0.000 1.281 196 G CA -0.458 44.621 45.100 -0.035 0.000 0.854 196 G HN 0.284 nan 8.290 nan 0.000 0.560 197 V N 2.697 122.576 119.914 -0.058 0.000 2.470 197 V HA 0.053 4.173 4.120 -0.000 0.000 0.276 197 V C 0.536 176.625 176.094 -0.009 0.000 1.040 197 V CA -0.319 61.957 62.300 -0.040 0.000 1.008 197 V CB 1.197 32.968 31.823 -0.088 0.000 0.990 197 V HN 0.452 nan 8.190 nan 0.000 0.477 198 V N 5.863 125.778 119.914 0.001 0.000 2.432 198 V HA 0.211 4.330 4.120 -0.000 0.000 0.271 198 V C 0.433 176.445 176.094 -0.135 0.000 1.046 198 V CA -0.605 61.706 62.300 0.018 0.000 0.945 198 V CB 1.224 33.143 31.823 0.159 0.000 0.992 198 V HN 0.827 nan 8.190 nan 0.000 0.471 199 K N 6.835 127.168 120.400 -0.112 0.000 2.150 199 K HA 0.324 4.644 4.320 -0.000 0.000 0.261 199 K C -0.377 176.121 176.600 -0.170 0.000 1.127 199 K CA -0.254 55.899 56.287 -0.223 0.000 0.989 199 K CB -0.304 32.127 32.500 -0.116 0.000 1.475 199 K HN 0.513 nan 8.250 nan 0.000 0.391 200 F N 0.032 119.896 119.950 -0.143 0.000 2.370 200 F HA 0.408 4.935 4.527 -0.000 0.000 0.324 200 F C 0.708 176.450 175.800 -0.097 0.000 1.116 200 F CA -0.834 57.080 58.000 -0.143 0.000 1.123 200 F CB 0.805 39.681 39.000 -0.207 0.000 1.238 200 F HN 0.222 nan 8.300 nan 0.000 0.536 201 D N 0.851 121.350 120.400 0.164 0.000 2.162 201 D HA 0.048 4.687 4.640 -0.000 0.000 0.203 201 D C -0.095 176.460 176.300 0.425 0.000 0.967 201 D CA 1.701 55.810 54.000 0.181 0.000 0.840 201 D CB -0.036 40.833 40.800 0.114 0.000 0.972 201 D HN 0.501 nan 8.370 nan 0.000 0.482 202 F N -0.891 119.293 119.950 0.391 0.000 2.807 202 F HA 0.417 4.944 4.527 -0.001 0.000 0.316 202 F C -1.419 174.346 175.800 -0.057 0.000 1.162 202 F CA -1.454 56.724 58.000 0.296 0.000 0.910 202 F CB 1.017 40.156 39.000 0.232 0.000 1.314 202 F HN -0.255 nan 8.300 nan 0.000 0.454 203 E N 2.062 122.217 120.200 -0.076 0.000 2.277 203 E HA 0.819 5.169 4.350 -0.000 0.000 0.266 203 E C -1.191 175.254 176.600 -0.258 0.000 0.901 203 E CA -1.020 55.126 56.400 -0.424 0.000 0.782 203 E CB 3.248 32.503 29.700 -0.742 0.000 1.228 203 E HN 0.910 nan 8.360 nan 0.000 0.424 204 I N -2.092 118.385 120.570 -0.155 0.000 3.174 204 I HA 0.620 4.790 4.170 -0.000 0.000 0.313 204 I C -1.005 175.134 176.117 0.037 0.000 1.155 204 I CA -0.975 60.307 61.300 -0.029 0.000 0.977 204 I CB 2.707 40.731 38.000 0.040 0.000 1.248 204 I HN 0.387 nan 8.210 nan 0.000 0.453 205 T N 3.994 118.545 114.554 -0.006 0.000 2.815 205 T HA 0.475 4.824 4.350 -0.000 0.000 0.289 205 T C -0.784 173.846 174.700 -0.116 0.000 1.000 205 T CA -0.200 61.798 62.100 -0.170 0.000 0.958 205 T CB 1.240 69.878 68.868 -0.384 0.000 0.944 205 T HN 0.461 nan 8.240 nan 0.000 0.442 206 L N 5.460 126.635 121.223 -0.081 0.000 2.272 206 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 206 L C -0.627 176.261 176.870 0.031 0.000 1.045 206 L CA -0.510 54.328 54.840 -0.004 0.000 0.842 206 L CB -0.030 42.042 42.059 0.022 0.000 1.224 206 L HN 0.603 nan 8.230 nan 0.000 0.430 207 L N 5.155 126.388 121.223 0.017 0.000 2.385 207 L HA 0.291 4.631 4.340 -0.000 0.000 0.281 207 L C 0.136 177.062 176.870 0.094 0.000 1.106 207 L CA 0.156 55.006 54.840 0.018 0.000 0.856 207 L CB 0.037 42.067 42.059 -0.048 0.000 1.186 207 L HN 0.561 nan 8.230 nan 0.000 0.453 208 T N 2.915 117.546 114.554 0.128 0.000 2.786 208 T HA 0.492 4.841 4.350 -0.000 0.000 0.283 208 T C -0.143 174.631 174.700 0.122 0.000 0.992 208 T CA -0.474 61.685 62.100 0.098 0.000 0.954 208 T CB 1.843 70.787 68.868 0.128 0.000 0.934 208 T HN 0.168 nan 8.240 nan 0.000 0.440 209 V N 2.670 122.603 119.914 0.033 0.000 2.398 209 V HA 0.588 4.708 4.120 -0.000 0.000 0.286 209 V C 0.309 176.460 176.094 0.094 0.000 1.026 209 V CA -0.812 61.558 62.300 0.116 0.000 0.868 209 V CB 1.661 33.506 31.823 0.036 0.000 0.982 209 V HN 0.876 nan 8.190 nan 0.000 0.443 210 S N 3.489 119.312 115.700 0.204 0.000 2.422 210 S HA 0.835 5.305 4.470 -0.000 0.000 0.308 210 S C -0.080 174.602 174.600 0.137 0.000 1.097 210 S CA 0.227 58.530 58.200 0.171 0.000 1.099 210 S CB 0.682 64.029 63.200 0.245 0.000 0.976 210 S HN 1.194 nan 8.310 nan 0.000 0.471 211 A N 3.708 126.478 122.820 -0.084 0.000 2.504 211 A HA 0.685 5.005 4.320 -0.000 0.000 0.285 211 A C 0.886 178.024 177.584 -0.743 0.000 1.261 211 A CA -0.437 51.270 52.037 -0.551 0.000 0.741 211 A CB 0.393 19.222 19.000 -0.286 0.000 1.327 211 A HN 0.954 nan 8.150 nan 0.000 0.441 212 V N 0.590 119.956 119.914 -0.913 0.000 2.568 212 V HA -0.127 3.993 4.120 -0.000 0.000 0.253 212 V C 1.242 177.256 176.094 -0.133 0.000 1.072 212 V CA 2.915 64.962 62.300 -0.421 0.000 1.084 212 V CB -0.662 31.019 31.823 -0.237 0.000 0.676 212 V HN 0.912 nan 8.190 nan 0.000 0.469 213 D N -1.340 119.004 120.400 -0.094 0.000 2.395 213 D HA 0.398 5.037 4.640 -0.000 0.000 0.226 213 D C 0.716 177.023 176.300 0.013 0.000 1.146 213 D CA 0.772 54.774 54.000 0.004 0.000 0.830 213 D CB 0.116 40.945 40.800 0.048 0.000 0.958 213 D HN 0.656 nan 8.370 nan 0.000 0.501 214 G N -0.932 107.847 108.800 -0.036 0.000 2.483 214 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.521 214 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.521 214 G C -1.243 173.544 174.900 -0.188 0.000 1.278 214 G CA -0.453 44.570 45.100 -0.128 0.000 0.965 214 G HN 0.252 nan 8.290 nan 0.000 0.504 215 V N 1.433 121.143 119.914 -0.340 0.000 2.394 215 V HA 0.664 4.784 4.120 -0.000 0.000 0.282 215 V C 0.059 175.688 176.094 -0.776 0.000 1.031 215 V CA -0.404 61.649 62.300 -0.413 0.000 0.881 215 V CB 1.228 32.819 31.823 -0.387 0.000 0.982 215 V HN 0.799 nan 8.190 nan 0.000 0.451 216 H N 3.766 122.520 119.070 -0.526 0.000 2.621 216 H HA 0.714 5.270 4.556 -0.000 0.000 0.360 216 H C -1.157 173.787 175.328 -0.640 0.000 1.163 216 H CA -0.512 55.243 56.048 -0.488 0.000 1.194 216 H CB 1.636 31.262 29.762 -0.226 0.000 1.649 216 H HN 0.513 nan 8.280 nan 0.000 0.532 217 F N 0.242 120.245 119.950 0.088 0.000 2.507 217 F HA 0.398 4.925 4.527 0.000 0.000 0.325 217 F C -0.057 175.756 175.800 0.022 0.000 1.116 217 F CA -0.843 57.179 58.000 0.038 0.000 0.930 217 F CB 1.105 40.109 39.000 0.006 0.000 1.146 217 F HN 0.411 nan 8.300 nan 0.000 0.447 218 C N 1.896 121.297 119.300 0.169 0.000 2.580 218 C HA 0.665 5.125 4.460 -0.000 0.000 0.371 218 C C 0.898 175.938 174.990 0.083 0.000 1.308 218 C CA -0.752 58.312 59.018 0.076 0.000 2.428 218 C CB 0.437 28.185 27.740 0.013 0.000 2.529 218 C HN 0.934 nan 8.230 nan 0.000 0.657 219 A N 3.512 126.356 122.820 0.039 0.000 2.498 219 A HA 0.416 4.736 4.320 -0.000 0.000 0.239 219 A C -2.116 175.476 177.584 0.012 0.000 1.068 219 A CA -0.560 51.494 52.037 0.028 0.000 0.766 219 A CB -0.562 18.450 19.000 0.020 0.000 1.003 219 A HN 0.740 nan 8.150 nan 0.000 0.497 220 P HA 0.151 nan 4.420 nan 0.000 0.265 220 P C -0.686 176.587 177.300 -0.045 0.000 1.193 220 P CA 0.158 63.254 63.100 -0.007 0.000 0.765 220 P CB 0.433 32.144 31.700 0.019 0.000 0.823 221 V N 4.051 123.909 119.914 -0.095 0.000 2.347 221 V HA 0.471 4.591 4.120 -0.000 0.000 0.280 221 V C 1.066 176.965 176.094 -0.326 0.000 1.021 221 V CA -0.265 61.916 62.300 -0.198 0.000 0.847 221 V CB 1.162 32.877 31.823 -0.180 0.000 0.990 221 V HN 0.731 nan 8.190 nan 0.000 0.444 222 G N 3.578 111.930 108.800 -0.746 0.000 2.507 222 G HA2 0.607 4.567 3.960 -0.000 0.000 0.271 222 G HA3 0.607 4.567 3.960 -0.000 0.000 0.271 222 G C -0.696 173.281 174.900 -1.538 0.000 1.189 222 G CA -0.201 44.268 45.100 -1.052 0.000 0.859 222 G HN 1.062 nan 8.290 nan 0.000 0.542 223 H N -1.783 116.676 119.070 -1.018 0.000 3.037 223 H HA 0.720 5.276 4.556 -0.000 0.000 0.355 223 H C -0.783 174.565 175.328 0.034 0.000 1.263 223 H CA -1.170 54.514 56.048 -0.606 0.000 1.129 223 H CB 1.640 31.257 29.762 -0.242 0.000 1.861 223 H HN 0.582 nan 8.280 nan 0.000 0.546 224 R N 1.939 122.687 120.500 0.413 0.000 2.437 224 R HA 0.307 4.647 4.340 -0.000 0.000 0.310 224 R C -1.170 175.365 176.300 0.391 0.000 0.955 224 R CA -0.801 55.553 56.100 0.425 0.000 0.851 224 R CB 1.255 31.831 30.300 0.459 0.000 1.161 224 R HN 0.701 nan 8.270 nan 0.000 0.446 225 Q N 2.500 122.501 119.800 0.335 0.000 2.266 225 Q HA 0.288 4.628 4.340 -0.000 0.000 0.261 225 Q C -1.078 175.045 176.000 0.205 0.000 0.985 225 Q CA -0.459 55.524 55.803 0.301 0.000 0.873 225 Q CB 2.463 31.392 28.738 0.319 0.000 1.306 225 Q HN 0.672 nan 8.270 nan 0.000 0.447 226 E N 1.668 121.966 120.200 0.163 0.000 2.311 226 E HA 0.130 4.479 4.350 -0.000 0.000 0.281 226 E C -1.226 175.431 176.600 0.096 0.000 0.905 226 E CA -0.338 56.127 56.400 0.109 0.000 0.778 226 E CB 0.798 30.547 29.700 0.083 0.000 1.240 226 E HN 0.478 nan 8.360 nan 0.000 0.410 227 D N 3.513 123.966 120.400 0.089 0.000 2.701 227 D HA -0.215 4.425 4.640 -0.000 0.000 0.235 227 D C 0.752 177.116 176.300 0.107 0.000 1.155 227 D CA 1.982 56.035 54.000 0.089 0.000 0.649 227 D CB -1.294 39.543 40.800 0.061 0.000 1.050 227 D HN 1.006 nan 8.370 nan 0.000 0.425 228 G N -0.792 108.086 108.800 0.130 0.000 2.199 228 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 228 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 228 G C -0.129 174.846 174.900 0.126 0.000 0.982 228 G CA 0.412 45.591 45.100 0.131 0.000 0.632 228 G HN 0.505 nan 8.290 nan 0.000 0.529 229 D N -0.502 119.972 120.400 0.123 0.000 2.481 229 D HA 0.470 5.110 4.640 -0.000 0.000 0.244 229 D C 0.066 176.466 176.300 0.166 0.000 1.057 229 D CA -0.522 53.550 54.000 0.120 0.000 0.848 229 D CB 1.522 42.354 40.800 0.052 0.000 1.388 229 D HN 0.301 nan 8.370 nan 0.000 0.475 230 Y N 1.374 121.735 120.300 0.101 0.000 2.411 230 Y HA 0.215 4.765 4.550 -0.000 0.000 0.333 230 Y C 0.698 176.678 175.900 0.134 0.000 1.186 230 Y CA -0.025 58.157 58.100 0.138 0.000 1.381 230 Y CB 0.826 39.336 38.460 0.084 0.000 1.273 230 Y HN 0.173 nan 8.280 nan 0.000 0.546 231 R N 2.449 122.945 120.500 -0.007 0.000 2.140 231 R HA 0.256 4.596 4.340 -0.000 0.000 0.200 231 R C -0.519 175.748 176.300 -0.056 0.000 1.069 231 R CA 0.364 56.398 56.100 -0.109 0.000 1.088 231 R CB -0.207 30.127 30.300 0.056 0.000 1.012 231 R HN 0.837 nan 8.270 nan 0.000 0.500 232 E N -0.135 120.235 120.200 0.283 0.000 2.367 232 E HA 0.432 4.782 4.350 -0.000 0.000 0.273 232 E C -1.131 175.865 176.600 0.659 0.000 0.903 232 E CA -0.587 56.087 56.400 0.458 0.000 0.764 232 E CB 2.394 32.374 29.700 0.467 0.000 1.252 232 E HN 0.081 nan 8.360 nan 0.000 0.446 233 S N 0.238 116.284 115.700 0.576 0.000 2.595 233 S HA 0.874 5.344 4.470 -0.000 0.000 0.281 233 S C -1.628 173.163 174.600 0.319 0.000 1.117 233 S CA -1.048 57.261 58.200 0.181 0.000 0.873 233 S CB 0.970 64.142 63.200 -0.047 0.000 1.108 233 S HN 0.669 nan 8.310 nan 0.000 0.477 234 W N 0.079 121.453 121.300 0.124 0.000 3.137 234 W HA 0.800 5.460 4.660 0.000 0.000 0.324 234 W C -1.496 175.055 176.519 0.053 0.000 1.253 234 W CA -0.741 56.653 57.345 0.081 0.000 1.183 234 W CB 1.018 30.515 29.460 0.062 0.000 1.424 234 W HN 0.922 nan 8.180 nan 0.000 0.566 235 Q N 1.817 121.760 119.800 0.238 0.000 2.353 235 Q HA 0.459 4.799 4.340 -0.000 0.000 0.275 235 Q C -2.882 173.206 176.000 0.147 0.000 1.029 235 Q CA -1.946 53.932 55.803 0.125 0.000 0.848 235 Q CB 3.512 32.279 28.738 0.048 0.000 1.390 235 Q HN 0.232 nan 8.270 nan 0.000 0.401 236 P HA 0.122 nan 4.420 nan 0.000 0.281 236 P C -1.501 175.889 177.300 0.150 0.000 1.249 236 P CA -0.404 62.752 63.100 0.092 0.000 0.810 236 P CB 0.834 32.570 31.700 0.060 0.000 1.008 237 Q N 1.802 121.664 119.800 0.103 0.000 2.274 237 Q HA 0.137 4.477 4.340 -0.000 0.000 0.256 237 Q C -0.405 175.594 176.000 -0.001 0.000 0.927 237 Q CA -0.115 55.754 55.803 0.109 0.000 0.939 237 Q CB 0.437 29.180 28.738 0.010 0.000 1.201 237 Q HN 0.260 nan 8.270 nan 0.000 0.426 238 Q N 3.862 123.631 119.800 -0.052 0.000 2.337 238 Q HA 0.219 4.559 4.340 -0.000 0.000 0.270 238 Q C -0.493 175.498 176.000 -0.014 0.000 1.002 238 Q CA 0.710 56.491 55.803 -0.036 0.000 0.888 238 Q CB 0.755 29.466 28.738 -0.045 0.000 1.222 238 Q HN 0.722 nan 8.270 nan 0.000 0.400 239 M N 0.773 120.417 119.600 0.073 0.000 2.484 239 M HA 0.206 4.686 4.480 -0.000 0.000 0.289 239 M C -0.152 176.213 176.300 0.107 0.000 1.206 239 M CA -0.737 54.663 55.300 0.166 0.000 0.892 239 M CB 2.452 35.154 32.600 0.170 0.000 1.712 239 M HN 0.684 nan 8.290 nan 0.000 0.462 240 S N 1.001 116.771 115.700 0.117 0.000 2.576 240 S HA 0.257 4.727 4.470 -0.000 0.000 0.272 240 S C -2.202 172.424 174.600 0.043 0.000 1.352 240 S CA -0.766 57.476 58.200 0.070 0.000 1.021 240 S CB 0.178 63.418 63.200 0.066 0.000 0.887 240 S HN 0.459 nan 8.310 nan 0.000 0.542 241 P HA -0.072 nan 4.420 nan 0.000 0.215 241 P C 1.643 178.944 177.300 0.001 0.000 1.153 241 P CA 0.432 63.538 63.100 0.010 0.000 0.853 241 P CB -0.051 31.654 31.700 0.008 0.000 0.788 242 L N -0.280 120.948 121.223 0.008 0.000 2.046 242 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 242 L C 2.244 179.111 176.870 -0.004 0.000 1.077 242 L CA 1.971 56.812 54.840 0.000 0.000 0.747 242 L CB -1.655 40.409 42.059 0.008 0.000 0.896 242 L HN -0.121 nan 8.230 nan 0.000 0.432 243 A N -0.892 121.936 122.820 0.013 0.000 1.902 243 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 243 A C 2.237 179.814 177.584 -0.011 0.000 1.181 243 A CA 1.854 53.898 52.037 0.012 0.000 0.623 243 A CB -0.967 18.063 19.000 0.050 0.000 0.818 243 A HN 0.445 nan 8.150 nan 0.000 0.443 244 L N 0.168 121.384 121.223 -0.012 0.000 2.046 244 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 244 L C 2.306 179.103 176.870 -0.121 0.000 1.077 244 L CA 2.706 57.511 54.840 -0.058 0.000 0.747 244 L CB -0.625 41.407 42.059 -0.044 0.000 0.896 244 L HN 0.629 nan 8.230 nan 0.000 0.432 245 E N -0.640 119.505 120.200 -0.092 0.000 2.051 245 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 245 E C 2.317 178.851 176.600 -0.111 0.000 0.991 245 E CA 1.270 57.605 56.400 -0.108 0.000 0.799 245 E CB -0.087 29.576 29.700 -0.061 0.000 0.748 245 E HN 0.479 nan 8.360 nan 0.000 0.449 246 R N 0.042 120.498 120.500 -0.073 0.000 2.096 246 R HA -0.080 4.259 4.340 -0.000 0.000 0.235 246 R C 2.441 178.696 176.300 -0.075 0.000 1.127 246 R CA 1.115 57.180 56.100 -0.059 0.000 0.968 246 R CB -0.303 29.978 30.300 -0.032 0.000 0.861 246 R HN 0.197 nan 8.270 nan 0.000 0.440 247 A N 1.081 123.846 122.820 -0.092 0.000 1.902 247 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 247 A C 2.041 179.524 177.584 -0.169 0.000 1.181 247 A CA 1.259 53.237 52.037 -0.099 0.000 0.623 247 A CB -0.384 18.561 19.000 -0.092 0.000 0.818 247 A HN 0.323 nan 8.150 nan 0.000 0.443 248 Q N -0.848 118.751 119.800 -0.335 0.000 2.084 248 Q HA -0.200 4.139 4.340 -0.000 0.000 0.202 248 Q C 2.061 177.920 176.000 -0.236 0.000 0.978 248 Q CA 1.602 57.011 55.803 -0.657 0.000 0.844 248 Q CB -0.144 27.959 28.738 -1.060 0.000 0.898 248 Q HN 0.790 nan 8.270 nan 0.000 0.426 249 E N 0.523 120.641 120.200 -0.138 0.000 2.051 249 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 249 E C 1.922 178.506 176.600 -0.028 0.000 0.991 249 E CA 0.920 57.293 56.400 -0.045 0.000 0.799 249 E CB -0.006 29.666 29.700 -0.048 0.000 0.748 249 E HN 0.304 nan 8.360 nan 0.000 0.449 250 I N 0.681 121.227 120.570 -0.040 0.000 2.179 250 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 250 I C 2.486 178.588 176.117 -0.026 0.000 1.088 250 I CA 1.032 62.307 61.300 -0.040 0.000 1.357 250 I CB -0.310 37.687 38.000 -0.004 0.000 1.051 250 I HN 0.137 nan 8.210 nan 0.000 0.409 251 A N 0.680 123.520 122.820 0.033 0.000 1.883 251 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 251 A C 2.438 180.066 177.584 0.074 0.000 1.186 251 A CA 1.929 54.023 52.037 0.095 0.000 0.624 251 A CB -0.715 18.406 19.000 0.201 0.000 0.822 251 A HN 0.356 nan 8.150 nan 0.000 0.444 252 R N -0.175 120.421 120.500 0.160 0.000 2.083 252 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 252 R C 2.188 178.462 176.300 -0.044 0.000 1.137 252 R CA 2.077 58.227 56.100 0.082 0.000 0.951 252 R CB -0.286 30.109 30.300 0.159 0.000 0.851 252 R HN 0.529 nan 8.270 nan 0.000 0.434 253 K N -0.323 120.047 120.400 -0.050 0.000 2.032 253 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 253 K C 2.017 178.531 176.600 -0.144 0.000 1.048 253 K CA 1.548 57.779 56.287 -0.092 0.000 0.927 253 K CB -0.267 32.174 32.500 -0.099 0.000 0.712 253 K HN 0.070 nan 8.250 nan 0.000 0.441 254 V N 1.153 120.960 119.914 -0.178 0.000 2.358 254 V HA -0.192 3.927 4.120 -0.000 0.000 0.246 254 V C 2.191 178.134 176.094 -0.251 0.000 1.047 254 V CA 1.844 64.011 62.300 -0.223 0.000 1.035 254 V CB 0.022 31.681 31.823 -0.273 0.000 0.658 254 V HN 0.313 nan 8.190 nan 0.000 0.452 255 V N -1.169 118.535 119.914 -0.351 0.000 2.427 255 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 255 V C 2.204 178.040 176.094 -0.430 0.000 1.051 255 V CA 2.281 64.160 62.300 -0.701 0.000 1.048 255 V CB -0.825 30.378 31.823 -1.034 0.000 0.666 255 V HN 0.479 nan 8.190 nan 0.000 0.456 256 L N 0.483 121.565 121.223 -0.234 0.000 2.156 256 L HA 0.057 4.396 4.340 -0.000 0.000 0.208 256 L C 3.000 179.814 176.870 -0.094 0.000 1.095 256 L CA 1.338 56.102 54.840 -0.127 0.000 0.770 256 L CB -0.815 41.193 42.059 -0.084 0.000 0.914 256 L HN 0.451 nan 8.230 nan 0.000 0.439 257 A N 0.146 122.902 122.820 -0.108 0.000 1.929 257 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 257 A C 2.231 179.789 177.584 -0.043 0.000 1.176 257 A CA 1.117 53.110 52.037 -0.074 0.000 0.628 257 A CB -0.494 18.451 19.000 -0.091 0.000 0.816 257 A HN 0.330 nan 8.150 nan 0.000 0.444 258 L N -1.134 120.064 121.223 -0.042 0.000 2.093 258 L HA 0.143 4.483 4.340 -0.000 0.000 0.208 258 L C 1.420 178.342 176.870 0.087 0.000 1.085 258 L CA 0.675 55.547 54.840 0.053 0.000 0.755 258 L CB -0.954 41.205 42.059 0.166 0.000 0.904 258 L HN 0.651 nan 8.230 nan 0.000 0.435 259 G N -1.028 107.809 108.800 0.062 0.000 2.712 259 G HA2 0.246 4.206 3.960 -0.000 0.000 0.686 259 G HA3 0.246 4.206 3.960 -0.000 0.000 0.686 259 G C 0.054 175.063 174.900 0.181 0.000 1.321 259 G CA -0.486 44.660 45.100 0.076 0.000 0.813 259 G HN 0.803 nan 8.290 nan 0.000 0.599 260 G N -0.754 108.097 108.800 0.085 0.000 2.758 260 G HA2 0.297 4.257 3.960 -0.000 0.000 0.686 260 G HA3 0.297 4.257 3.960 -0.000 0.000 0.686 260 G C -0.420 174.645 174.900 0.275 0.000 1.389 260 G CA 0.144 45.275 45.100 0.052 0.000 0.845 260 G HN 1.860 nan 8.290 nan 0.000 0.572 261 Y N 0.553 120.970 120.300 0.194 0.000 2.299 261 Y HA 0.658 5.208 4.550 -0.001 0.000 0.326 261 Y C 1.238 177.259 175.900 0.202 0.000 1.164 261 Y CA -0.078 58.144 58.100 0.204 0.000 1.234 261 Y CB 1.394 39.941 38.460 0.145 0.000 1.219 261 Y HN 1.754 nan 8.280 nan 0.000 0.497 262 G N 1.221 110.271 108.800 0.417 0.000 2.337 262 G HA2 0.260 4.220 3.960 -0.000 0.000 0.298 262 G HA3 0.260 4.220 3.960 -0.000 0.000 0.298 262 G C -2.389 172.738 174.900 0.378 0.000 1.335 262 G CA -1.190 44.087 45.100 0.295 0.000 0.875 262 G HN 0.671 nan 8.290 nan 0.000 0.579 263 L N -0.187 121.303 121.223 0.444 0.000 2.307 263 L HA 0.877 5.217 4.340 -0.000 0.000 0.282 263 L C -1.092 175.776 176.870 -0.004 0.000 1.051 263 L CA -0.859 54.116 54.840 0.224 0.000 0.804 263 L CB 0.692 42.797 42.059 0.078 0.000 1.197 263 L HN 0.404 nan 8.230 nan 0.000 0.431 264 F N 2.224 122.187 119.950 0.021 0.000 2.532 264 F HA 0.571 5.097 4.527 -0.000 0.000 0.321 264 F C 0.735 176.515 175.800 -0.034 0.000 1.089 264 F CA -0.898 57.106 58.000 0.006 0.000 0.926 264 F CB 1.987 41.013 39.000 0.043 0.000 1.168 264 F HN 0.454 nan 8.300 nan 0.000 0.459 265 G N 2.126 110.987 108.800 0.102 0.000 2.607 265 G HA2 0.490 4.450 3.960 -0.000 0.000 0.332 265 G HA3 0.490 4.450 3.960 -0.000 0.000 0.332 265 G C -1.099 173.739 174.900 -0.104 0.000 1.046 265 G CA -0.447 44.614 45.100 -0.065 0.000 1.099 265 G HN 0.448 nan 8.290 nan 0.000 0.451 266 V N 3.349 123.234 119.914 -0.049 0.000 2.372 266 V HA 0.151 4.270 4.120 -0.000 0.000 0.261 266 V C 0.409 176.397 176.094 -0.176 0.000 1.055 266 V CA -0.391 61.895 62.300 -0.023 0.000 0.930 266 V CB 0.678 32.556 31.823 0.092 0.000 1.031 266 V HN 0.661 nan 8.190 nan 0.000 0.479 267 E N 5.472 125.484 120.200 -0.313 0.000 2.229 267 E HA 0.567 4.917 4.350 -0.000 0.000 0.283 267 E C -0.918 175.378 176.600 -0.507 0.000 1.030 267 E CA -0.268 55.907 56.400 -0.376 0.000 0.836 267 E CB 1.413 30.886 29.700 -0.379 0.000 1.068 267 E HN 0.529 nan 8.360 nan 0.000 0.401 268 L N 2.758 123.746 121.223 -0.392 0.000 2.371 268 L HA 0.526 4.866 4.340 -0.000 0.000 0.262 268 L C -0.918 175.722 176.870 -0.383 0.000 1.006 268 L CA -1.052 53.532 54.840 -0.427 0.000 0.818 268 L CB 1.227 43.175 42.059 -0.185 0.000 1.354 268 L HN 0.384 nan 8.230 nan 0.000 0.415 269 F N 1.031 120.809 119.950 -0.288 0.000 2.443 269 F HA 0.607 5.134 4.527 -0.000 0.000 0.335 269 F C 0.039 175.657 175.800 -0.303 0.000 1.104 269 F CA -1.201 56.545 58.000 -0.423 0.000 1.013 269 F CB 1.840 40.691 39.000 -0.248 0.000 1.136 269 F HN -0.092 nan 8.300 nan 0.000 0.470 270 V N 2.234 121.992 119.914 -0.259 0.000 2.448 270 V HA 0.368 4.488 4.120 -0.000 0.000 0.295 270 V C -0.703 175.205 176.094 -0.310 0.000 1.025 270 V CA -0.693 61.375 62.300 -0.386 0.000 0.859 270 V CB 1.649 32.974 31.823 -0.831 0.000 0.988 270 V HN 0.876 nan 8.190 nan 0.000 0.431 271 C N 5.072 124.296 119.300 -0.128 0.000 2.492 271 C HA 0.726 5.186 4.460 -0.000 0.000 0.284 271 C C 1.369 176.340 174.990 -0.031 0.000 1.082 271 C CA 0.123 59.113 59.018 -0.047 0.000 1.555 271 C CB -0.724 27.027 27.740 0.018 0.000 1.798 271 C HN 1.339 nan 8.230 nan 0.000 0.413 272 G N 3.620 112.406 108.800 -0.022 0.000 2.620 272 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.315 272 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.315 272 G C 0.607 175.525 174.900 0.029 0.000 1.179 272 G CA 0.991 46.112 45.100 0.035 0.000 0.971 272 G HN 0.511 nan 8.290 nan 0.000 0.544 273 D N 2.305 122.720 120.400 0.026 0.000 2.350 273 D HA 0.168 4.808 4.640 -0.000 0.000 0.213 273 D C 1.007 177.311 176.300 0.007 0.000 1.031 273 D CA 0.566 54.579 54.000 0.022 0.000 0.861 273 D CB 0.219 41.033 40.800 0.022 0.000 0.926 273 D HN 0.623 nan 8.370 nan 0.000 0.520 274 E N 0.600 120.801 120.200 0.002 0.000 2.266 274 E HA 0.392 4.742 4.350 -0.000 0.000 0.277 274 E C -0.609 175.986 176.600 -0.007 0.000 1.018 274 E CA -0.382 56.021 56.400 0.005 0.000 0.840 274 E CB 2.559 32.270 29.700 0.017 0.000 1.082 274 E HN -0.214 nan 8.360 nan 0.000 0.395 275 V N 4.496 124.411 119.914 0.001 0.000 2.588 275 V HA 0.431 4.551 4.120 -0.000 0.000 0.304 275 V C -0.288 175.822 176.094 0.026 0.000 1.042 275 V CA -0.664 61.632 62.300 -0.007 0.000 0.877 275 V CB 1.640 33.450 31.823 -0.021 0.000 0.996 275 V HN 0.549 nan 8.190 nan 0.000 0.425 276 I N 4.125 124.716 120.570 0.035 0.000 2.433 276 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 276 I C -0.671 175.417 176.117 -0.048 0.000 1.001 276 I CA -0.533 60.803 61.300 0.060 0.000 1.119 276 I CB 1.958 40.058 38.000 0.165 0.000 1.289 276 I HN 0.593 nan 8.210 nan 0.000 0.438 277 F N 5.249 125.112 119.950 -0.144 0.000 2.412 277 F HA 0.215 4.742 4.527 -0.001 0.000 0.348 277 F C 1.093 176.703 175.800 -0.316 0.000 1.102 277 F CA 0.585 58.456 58.000 -0.216 0.000 1.196 277 F CB 1.441 40.366 39.000 -0.125 0.000 1.144 277 F HN 0.509 nan 8.300 nan 0.000 0.541 278 S N 3.136 118.043 115.700 -1.321 0.000 2.655 278 S HA 0.237 4.706 4.470 -0.000 0.000 0.231 278 S C -0.299 173.609 174.600 -1.153 0.000 1.044 278 S CA 0.527 58.053 58.200 -1.123 0.000 0.910 278 S CB -0.219 62.214 63.200 -1.277 0.000 0.833 278 S HN 0.852 nan 8.310 nan 0.000 0.581 279 E N -0.937 118.488 120.200 -1.291 0.000 2.435 279 E HA 0.604 4.954 4.350 -0.000 0.000 0.277 279 E C -1.741 174.626 176.600 -0.390 0.000 1.106 279 E CA -1.003 54.991 56.400 -0.676 0.000 0.868 279 E CB 1.527 31.080 29.700 -0.244 0.000 1.454 279 E HN 0.149 nan 8.360 nan 0.000 0.452 280 V N 1.036 120.959 119.914 0.015 0.000 2.777 280 V HA 0.524 4.644 4.120 -0.000 0.000 0.306 280 V C -1.351 174.823 176.094 0.133 0.000 1.112 280 V CA 0.023 62.393 62.300 0.117 0.000 0.917 280 V CB 2.082 34.095 31.823 0.317 0.000 1.018 280 V HN 0.895 nan 8.190 nan 0.000 0.426 281 S N 7.448 123.217 115.700 0.115 0.000 2.489 281 S HA 0.576 5.046 4.470 -0.000 0.000 0.277 281 S C -2.315 172.321 174.600 0.060 0.000 1.230 281 S CA -1.308 56.951 58.200 0.099 0.000 1.053 281 S CB 1.479 64.761 63.200 0.137 0.000 0.955 281 S HN 0.757 nan 8.310 nan 0.000 0.488 282 P HA 0.234 nan 4.420 nan 0.000 0.214 282 P C -0.409 176.646 177.300 -0.408 0.000 1.807 282 P CA -0.247 62.703 63.100 -0.251 0.000 0.921 282 P CB -0.744 30.907 31.700 -0.080 0.000 1.835 283 R N -2.392 117.891 120.500 -0.362 0.000 2.993 283 R HA 0.428 4.767 4.340 -0.000 0.000 0.288 283 R C -3.488 172.588 176.300 -0.373 0.000 0.982 283 R CA -1.946 53.868 56.100 -0.475 0.000 0.832 283 R CB -0.879 29.252 30.300 -0.282 0.000 1.340 283 R HN -0.287 nan 8.270 nan 0.000 0.516 284 P HA -0.021 nan 4.420 nan 0.000 0.266 284 P C -1.037 176.185 177.300 -0.130 0.000 1.193 284 P CA 0.262 63.179 63.100 -0.305 0.000 0.770 284 P CB 0.298 31.800 31.700 -0.330 0.000 0.836 285 H N 2.557 121.489 119.070 -0.231 0.000 2.529 285 H HA 0.088 4.644 4.556 -0.001 0.000 0.348 285 H C 0.676 175.884 175.328 -0.200 0.000 1.152 285 H CA -0.509 55.422 56.048 -0.196 0.000 1.202 285 H CB 1.553 31.180 29.762 -0.226 0.000 1.562 285 H HN 0.404 nan 8.280 nan 0.000 0.515 286 D N 1.837 121.904 120.400 -0.556 0.000 2.149 286 D HA -0.220 4.420 4.640 -0.000 0.000 0.198 286 D C 1.686 177.683 176.300 -0.505 0.000 0.990 286 D CA 2.025 55.829 54.000 -0.326 0.000 0.839 286 D CB -0.895 39.803 40.800 -0.170 0.000 0.948 286 D HN 0.644 nan 8.370 nan 0.000 0.460 287 T N -2.682 111.455 114.554 -0.694 0.000 2.929 287 T HA -0.025 4.325 4.350 -0.000 0.000 0.271 287 T C 2.103 176.559 174.700 -0.408 0.000 1.085 287 T CA 1.187 62.745 62.100 -0.903 0.000 1.125 287 T CB -1.092 67.350 68.868 -0.710 0.000 0.874 287 T HN 0.293 nan 8.240 nan 0.000 0.494 288 G N 0.582 109.244 108.800 -0.229 0.000 2.776 288 G HA2 0.098 4.058 3.960 -0.000 0.000 0.209 288 G HA3 0.098 4.058 3.960 -0.000 0.000 0.209 288 G C 1.363 176.198 174.900 -0.109 0.000 1.145 288 G CA 0.030 45.021 45.100 -0.182 0.000 0.791 288 G HN 0.493 nan 8.290 nan 0.000 0.530 289 M N 0.030 119.631 119.600 0.002 0.000 2.358 289 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 289 M C 2.534 178.933 176.300 0.166 0.000 1.064 289 M CA 0.595 56.015 55.300 0.200 0.000 1.093 289 M CB -0.115 32.664 32.600 0.298 0.000 1.401 289 M HN 0.181 nan 8.290 nan 0.000 0.440 290 V N 0.821 120.794 119.914 0.098 0.000 2.568 290 V HA -0.238 3.881 4.120 -0.000 0.000 0.253 290 V C 2.311 178.462 176.094 0.095 0.000 1.072 290 V CA 2.513 64.881 62.300 0.113 0.000 1.084 290 V CB -0.714 31.164 31.823 0.092 0.000 0.676 290 V HN 0.689 nan 8.190 nan 0.000 0.469 291 T N -2.349 112.233 114.554 0.048 0.000 3.098 291 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 291 T C 1.694 176.451 174.700 0.095 0.000 1.145 291 T CA 1.306 63.424 62.100 0.031 0.000 1.092 291 T CB -0.504 68.329 68.868 -0.058 0.000 0.908 291 T HN 0.503 nan 8.240 nan 0.000 0.526 292 L N -0.568 120.750 121.223 0.159 0.000 2.275 292 L HA 0.278 4.618 4.340 -0.000 0.000 0.215 292 L C 2.343 179.306 176.870 0.155 0.000 1.119 292 L CA 1.018 55.971 54.840 0.188 0.000 0.790 292 L CB -0.230 41.959 42.059 0.216 0.000 0.919 292 L HN 0.340 nan 8.230 nan 0.000 0.443 293 I N -1.945 118.716 120.570 0.151 0.000 4.312 293 I HA -0.077 4.093 4.170 -0.000 0.000 0.324 293 I C 2.194 178.445 176.117 0.223 0.000 1.298 293 I CA 0.413 61.808 61.300 0.158 0.000 1.231 293 I CB 0.486 38.561 38.000 0.126 0.000 1.152 293 I HN 0.142 nan 8.210 nan 0.000 0.421 294 S N -0.425 115.385 115.700 0.183 0.000 2.528 294 S HA 0.207 4.677 4.470 -0.000 0.000 0.219 294 S C 0.635 175.277 174.600 0.070 0.000 0.985 294 S CA -0.184 58.123 58.200 0.180 0.000 0.914 294 S CB 0.046 63.311 63.200 0.108 0.000 0.776 294 S HN 0.439 nan 8.310 nan 0.000 0.526 295 Q N 0.485 120.286 119.800 0.001 0.000 2.484 295 Q HA 0.277 4.617 4.340 -0.000 0.000 0.285 295 Q C -0.292 175.581 176.000 -0.212 0.000 1.097 295 Q CA -0.462 55.173 55.803 -0.280 0.000 0.802 295 Q CB 1.687 30.336 28.738 -0.148 0.000 1.444 295 Q HN 0.268 nan 8.270 nan 0.000 0.429 296 D N 0.442 120.600 120.400 -0.405 0.000 2.117 296 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 296 D C 0.285 176.586 176.300 0.002 0.000 0.982 296 D CA 1.266 55.230 54.000 -0.060 0.000 0.828 296 D CB 0.207 40.970 40.800 -0.062 0.000 0.967 296 D HN 0.281 nan 8.370 nan 0.000 0.464 297 L N 1.524 122.711 121.223 -0.060 0.000 2.298 297 L HA 0.286 4.626 4.340 -0.000 0.000 0.284 297 L C 0.488 177.336 176.870 -0.036 0.000 1.013 297 L CA -0.856 53.961 54.840 -0.038 0.000 0.824 297 L CB 1.844 43.858 42.059 -0.076 0.000 1.221 297 L HN 0.014 nan 8.230 nan 0.000 0.418 298 S N 0.784 116.494 115.700 0.016 0.000 2.596 298 S HA 0.042 4.512 4.470 -0.000 0.000 0.260 298 S C 1.128 175.660 174.600 -0.114 0.000 1.336 298 S CA -0.094 58.109 58.200 0.005 0.000 0.993 298 S CB 0.774 64.079 63.200 0.174 0.000 0.923 298 S HN 0.808 nan 8.310 nan 0.000 0.567 299 E N 0.389 120.399 120.200 -0.317 0.000 2.209 299 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 299 E C 1.202 177.542 176.600 -0.435 0.000 0.993 299 E CA 1.271 57.408 56.400 -0.438 0.000 0.819 299 E CB -0.674 28.663 29.700 -0.604 0.000 0.745 299 E HN 0.723 nan 8.360 nan 0.000 0.477 300 F N 1.802 121.750 119.950 -0.004 0.000 2.163 300 F HA 0.122 4.649 4.527 -0.001 0.000 0.297 300 F C 2.718 178.527 175.800 0.014 0.000 1.094 300 F CA 0.810 58.822 58.000 0.020 0.000 1.290 300 F CB -0.708 38.295 39.000 0.005 0.000 1.017 300 F HN 0.111 nan 8.300 nan 0.000 0.483 301 A N 0.472 123.371 122.820 0.132 0.000 1.933 301 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 301 A C 2.217 179.769 177.584 -0.054 0.000 1.175 301 A CA 1.342 53.394 52.037 0.024 0.000 0.628 301 A CB -1.122 17.886 19.000 0.013 0.000 0.814 301 A HN 0.408 nan 8.150 nan 0.000 0.444 302 L N -1.734 119.456 121.223 -0.055 0.000 2.093 302 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 302 L C 2.628 179.470 176.870 -0.047 0.000 1.085 302 L CA 1.568 56.358 54.840 -0.084 0.000 0.755 302 L CB -0.594 41.413 42.059 -0.086 0.000 0.904 302 L HN 0.564 nan 8.230 nan 0.000 0.435 303 H N -0.302 118.707 119.070 -0.102 0.000 2.321 303 H HA -0.139 4.417 4.556 0.001 0.000 0.300 303 H C 2.094 177.297 175.328 -0.209 0.000 1.087 303 H CA 1.838 57.865 56.048 -0.035 0.000 1.319 303 H CB -0.108 29.692 29.762 0.062 0.000 1.379 303 H HN -0.011 nan 8.280 nan 0.000 0.501 304 V N 0.703 120.385 119.914 -0.388 0.000 2.295 304 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 304 V C 2.688 178.268 176.094 -0.857 0.000 1.049 304 V CA 2.145 63.827 62.300 -1.030 0.000 1.024 304 V CB -0.598 30.913 31.823 -0.521 0.000 0.648 304 V HN 0.388 nan 8.190 nan 0.000 0.447 305 R N 0.285 120.523 120.500 -0.437 0.000 2.083 305 R HA -0.211 4.129 4.340 -0.000 0.000 0.237 305 R C 2.273 178.383 176.300 -0.316 0.000 1.137 305 R CA 1.968 57.873 56.100 -0.326 0.000 0.951 305 R CB -0.508 29.656 30.300 -0.227 0.000 0.851 305 R HN 0.482 nan 8.270 nan 0.000 0.434 306 A N 0.885 123.543 122.820 -0.270 0.000 1.873 306 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 306 A C 2.003 179.549 177.584 -0.062 0.000 1.186 306 A CA 1.482 53.414 52.037 -0.176 0.000 0.616 306 A CB -0.873 18.095 19.000 -0.053 0.000 0.823 306 A HN 0.624 nan 8.150 nan 0.000 0.442 307 F N -0.035 119.836 119.950 -0.132 0.000 2.293 307 F HA 0.062 4.588 4.527 -0.002 0.000 0.300 307 F C 1.379 177.133 175.800 -0.076 0.000 1.086 307 F CA 0.802 58.751 58.000 -0.086 0.000 1.375 307 F CB -0.867 37.972 39.000 -0.267 0.000 1.045 307 F HN 0.076 nan 8.300 nan 0.000 0.516 308 L N 0.783 121.863 121.223 -0.239 0.000 2.610 308 L HA 0.221 4.561 4.340 -0.000 0.000 0.232 308 L C 1.817 178.724 176.870 0.062 0.000 1.149 308 L CA 0.757 55.515 54.840 -0.136 0.000 0.872 308 L CB -1.041 40.837 42.059 -0.302 0.000 0.992 308 L HN 0.594 nan 8.230 nan 0.000 0.447 309 G N 0.303 109.155 108.800 0.088 0.000 2.136 309 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 309 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 309 G C 0.073 174.946 174.900 -0.044 0.000 0.989 309 G CA -0.194 44.965 45.100 0.099 0.000 0.682 309 G HN 0.228 nan 8.290 nan 0.000 0.522 310 L N 1.333 122.488 121.223 -0.114 0.000 2.379 310 L HA 0.538 4.878 4.340 -0.000 0.000 0.269 310 L C -1.535 175.232 176.870 -0.170 0.000 1.084 310 L CA -2.413 52.352 54.840 -0.124 0.000 0.802 310 L CB 1.277 43.255 42.059 -0.135 0.000 1.175 310 L HN -0.066 nan 8.230 nan 0.000 0.448 311 P HA 0.067 nan 4.420 nan 0.000 0.279 311 P C 0.534 177.715 177.300 -0.198 0.000 1.239 311 P CA -0.320 62.691 63.100 -0.149 0.000 0.789 311 P CB 1.616 33.263 31.700 -0.090 0.000 0.933 312 V N 2.288 122.019 119.914 -0.306 0.000 2.346 312 V HA -0.037 4.082 4.120 -0.000 0.000 0.244 312 V C 2.164 178.053 176.094 -0.341 0.000 1.037 312 V CA 2.640 64.676 62.300 -0.441 0.000 1.029 312 V CB -1.593 29.704 31.823 -0.876 0.000 0.663 312 V HN 0.994 nan 8.190 nan 0.000 0.454 313 G N -0.341 108.300 108.800 -0.266 0.000 4.655 313 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.220 313 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.220 313 G C 0.596 175.461 174.900 -0.059 0.000 1.403 313 G CA 0.007 45.050 45.100 -0.094 0.000 0.931 313 G HN 1.664 nan 8.290 nan 0.000 0.654 314 G N -1.111 107.611 108.800 -0.130 0.000 2.466 314 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 314 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 314 G C -1.637 173.205 174.900 -0.097 0.000 1.460 314 G CA -0.206 44.861 45.100 -0.055 0.000 0.791 314 G HN 1.009 nan 8.290 nan 0.000 0.505 315 I N 0.383 120.914 120.570 -0.064 0.000 2.466 315 I HA 0.509 4.679 4.170 -0.000 0.000 0.289 315 I C 0.157 176.212 176.117 -0.102 0.000 1.026 315 I CA -0.794 60.451 61.300 -0.093 0.000 1.078 315 I CB 2.362 40.318 38.000 -0.075 0.000 1.249 315 I HN 0.447 nan 8.210 nan 0.000 0.429 316 R N 5.019 125.417 120.500 -0.170 0.000 2.312 316 R HA 0.350 4.690 4.340 -0.000 0.000 0.311 316 R C -0.786 175.288 176.300 -0.377 0.000 1.004 316 R CA -0.486 55.473 56.100 -0.234 0.000 0.902 316 R CB 1.221 31.368 30.300 -0.255 0.000 1.073 316 R HN 0.535 nan 8.270 nan 0.000 0.457 317 Q N 4.162 123.805 119.800 -0.262 0.000 2.322 317 Q HA 0.101 4.440 4.340 -0.000 0.000 0.265 317 Q C -0.671 175.247 176.000 -0.136 0.000 0.985 317 Q CA -0.242 55.434 55.803 -0.212 0.000 0.849 317 Q CB 1.349 30.044 28.738 -0.073 0.000 1.274 317 Q HN 0.824 nan 8.270 nan 0.000 0.449 318 Y N 1.597 121.914 120.300 0.028 0.000 2.529 318 Y HA 0.240 4.789 4.550 -0.000 0.000 0.290 318 Y C 1.355 177.273 175.900 0.030 0.000 1.177 318 Y CA 0.349 58.465 58.100 0.027 0.000 1.305 318 Y CB 0.819 39.295 38.460 0.027 0.000 1.047 318 Y HN 0.831 nan 8.280 nan 0.000 0.522 319 G N -0.169 108.728 108.800 0.161 0.000 2.353 319 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.615 319 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.615 319 G C -3.129 171.835 174.900 0.108 0.000 1.280 319 G CA -1.602 43.566 45.100 0.113 0.000 1.000 319 G HN -0.208 nan 8.290 nan 0.000 0.516 320 P HA 0.442 nan 4.420 nan 0.000 0.262 320 P C 0.053 177.419 177.300 0.110 0.000 1.182 320 P CA 1.225 64.383 63.100 0.095 0.000 0.761 320 P CB 1.000 32.741 31.700 0.068 0.000 0.795 321 A N 2.374 125.279 122.820 0.140 0.000 2.594 321 A HA 0.890 5.210 4.320 -0.000 0.000 0.291 321 A C -1.492 176.213 177.584 0.202 0.000 1.105 321 A CA -0.321 51.806 52.037 0.150 0.000 0.694 321 A CB 1.752 20.838 19.000 0.144 0.000 1.291 321 A HN 0.535 nan 8.150 nan 0.000 0.410 322 A N -0.033 122.904 122.820 0.195 0.000 2.606 322 A HA 0.910 5.230 4.320 -0.000 0.000 0.293 322 A C -0.333 177.384 177.584 0.221 0.000 1.082 322 A CA 0.193 52.383 52.037 0.256 0.000 0.685 322 A CB 1.179 20.335 19.000 0.259 0.000 1.284 322 A HN 2.380 nan 8.150 nan 0.000 0.408 323 S N -0.101 115.761 115.700 0.270 0.000 2.566 323 S HA 0.915 5.385 4.470 -0.000 0.000 0.298 323 S C -0.480 174.281 174.600 0.269 0.000 1.083 323 S CA -0.041 58.315 58.200 0.261 0.000 0.978 323 S CB 1.865 65.252 63.200 0.312 0.000 1.073 323 S HN 2.377 nan 8.310 nan 0.000 0.491 324 A N 1.759 124.681 122.820 0.170 0.000 2.408 324 A HA 0.689 5.009 4.320 -0.000 0.000 0.295 324 A C -0.119 177.467 177.584 0.003 0.000 1.040 324 A CA -0.600 51.491 52.037 0.089 0.000 0.707 324 A CB 1.080 20.130 19.000 0.083 0.000 1.235 324 A HN 1.947 nan 8.150 nan 0.000 0.418 325 V N 0.572 120.417 119.914 -0.114 0.000 2.881 325 V HA 0.638 4.757 4.120 -0.000 0.000 0.303 325 V C 0.053 176.101 176.094 -0.076 0.000 1.070 325 V CA -0.327 61.899 62.300 -0.125 0.000 1.074 325 V CB 0.772 32.442 31.823 -0.255 0.000 1.012 325 V HN 0.606 nan 8.190 nan 0.000 0.482 326 I N 4.165 124.690 120.570 -0.075 0.000 2.337 326 I HA 0.360 4.530 4.170 -0.000 0.000 0.285 326 I C -0.433 175.672 176.117 -0.020 0.000 1.041 326 I CA -0.130 61.137 61.300 -0.056 0.000 1.199 326 I CB 1.255 39.198 38.000 -0.095 0.000 1.370 326 I HN 0.542 nan 8.210 nan 0.000 0.470 327 L N 10.047 131.265 121.223 -0.009 0.000 2.495 327 L HA 0.552 4.891 4.340 -0.000 0.000 0.248 327 L C -2.206 174.672 176.870 0.013 0.000 1.229 327 L CA -1.346 53.498 54.840 0.006 0.000 0.942 327 L CB 0.306 42.356 42.059 -0.014 0.000 1.242 327 L HN 0.265 nan 8.230 nan 0.000 0.484 328 P HA 0.192 nan 4.420 nan 0.000 0.277 328 P C -1.369 175.937 177.300 0.010 0.000 1.271 328 P CA -0.451 62.658 63.100 0.015 0.000 0.795 328 P CB 0.900 32.611 31.700 0.019 0.000 1.101 329 Q N 0.811 120.610 119.800 -0.001 0.000 2.337 329 Q HA 0.612 4.952 4.340 -0.000 0.000 0.264 329 Q C -1.040 174.953 176.000 -0.011 0.000 1.007 329 Q CA -0.569 55.233 55.803 -0.002 0.000 0.727 329 Q CB 0.432 29.170 28.738 -0.001 0.000 1.256 329 Q HN 0.535 nan 8.270 nan 0.000 0.467 330 L N -0.413 120.802 121.223 -0.013 0.000 2.999 330 L HA 0.737 5.077 4.340 -0.000 0.000 0.274 330 L C -1.432 175.426 176.870 -0.020 0.000 1.044 330 L CA -0.907 53.920 54.840 -0.022 0.000 0.943 330 L CB 2.251 44.289 42.059 -0.036 0.000 1.522 330 L HN 0.224 nan 8.230 nan 0.000 0.400 331 T N 1.176 115.716 114.554 -0.023 0.000 2.864 331 T HA 0.695 5.045 4.350 -0.000 0.000 0.299 331 T C -0.754 173.930 174.700 -0.025 0.000 1.011 331 T CA -0.404 61.684 62.100 -0.021 0.000 0.975 331 T CB 1.079 69.937 68.868 -0.016 0.000 0.962 331 T HN 0.800 nan 8.240 nan 0.000 0.448 332 S N 2.554 118.239 115.700 -0.025 0.000 2.578 332 S HA 0.404 4.874 4.470 -0.000 0.000 0.272 332 S C -1.240 173.349 174.600 -0.018 0.000 1.145 332 S CA -0.631 57.552 58.200 -0.029 0.000 0.835 332 S CB 1.603 64.773 63.200 -0.050 0.000 1.104 332 S HN 0.490 nan 8.310 nan 0.000 0.458 333 Q N 1.908 121.700 119.800 -0.013 0.000 2.135 333 Q HA 0.470 4.810 4.340 -0.000 0.000 0.231 333 Q C -0.423 175.579 176.000 0.004 0.000 0.817 333 Q CA -0.092 55.712 55.803 0.003 0.000 1.073 333 Q CB 0.674 29.417 28.738 0.009 0.000 1.176 333 Q HN 0.440 nan 8.270 nan 0.000 0.478 334 N N -0.222 118.467 118.700 -0.017 0.000 2.635 334 N HA 0.107 4.847 4.740 -0.000 0.000 0.252 334 N C -1.570 173.896 175.510 -0.072 0.000 1.589 334 N CA -0.023 53.013 53.050 -0.024 0.000 0.828 334 N CB 0.766 39.240 38.487 -0.022 0.000 1.403 334 N HN -0.126 nan 8.380 nan 0.000 0.518 335 V N 1.248 121.103 119.914 -0.099 0.000 2.637 335 V HA 0.375 4.495 4.120 -0.000 0.000 0.296 335 V C 0.949 176.808 176.094 -0.392 0.000 1.046 335 V CA 0.068 62.214 62.300 -0.256 0.000 1.066 335 V CB 0.938 32.600 31.823 -0.269 0.000 0.968 335 V HN 0.584 nan 8.190 nan 0.000 0.483 336 T N 1.497 115.729 114.554 -0.536 0.000 2.924 336 T HA 0.780 5.130 4.350 -0.000 0.000 0.291 336 T C -1.049 173.183 174.700 -0.779 0.000 1.045 336 T CA -0.594 61.224 62.100 -0.470 0.000 1.015 336 T CB 1.634 70.392 68.868 -0.183 0.000 1.103 336 T HN 0.189 nan 8.240 nan 0.000 0.496 337 F N 1.034 120.969 119.950 -0.026 0.000 2.496 337 F HA 0.529 5.056 4.527 -0.000 0.000 0.341 337 F C 0.096 175.878 175.800 -0.030 0.000 1.134 337 F CA -0.915 57.064 58.000 -0.035 0.000 0.968 337 F CB 1.657 40.628 39.000 -0.048 0.000 1.205 337 F HN 0.598 nan 8.300 nan 0.000 0.436 338 D N 0.880 121.329 120.400 0.081 0.000 2.442 338 D HA 0.265 4.905 4.640 -0.000 0.000 0.254 338 D C 0.433 176.759 176.300 0.043 0.000 1.069 338 D CA -0.260 53.768 54.000 0.047 0.000 1.017 338 D CB 1.294 42.099 40.800 0.008 0.000 1.172 338 D HN 0.515 nan 8.370 nan 0.000 0.561 339 N N -0.046 118.669 118.700 0.025 0.000 2.782 339 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 339 N C 0.697 176.217 175.510 0.016 0.000 1.101 339 N CA 0.898 53.957 53.050 0.015 0.000 0.764 339 N CB -1.174 37.316 38.487 0.004 0.000 1.122 339 N HN 0.143 nan 8.380 nan 0.000 0.561 340 V N 0.709 120.638 119.914 0.025 0.000 2.594 340 V HA -0.277 3.843 4.120 -0.000 0.000 0.253 340 V C 2.520 178.617 176.094 0.006 0.000 1.069 340 V CA 2.167 64.475 62.300 0.013 0.000 1.082 340 V CB -0.467 31.365 31.823 0.015 0.000 0.680 340 V HN 0.668 nan 8.190 nan 0.000 0.469 341 Q N 0.179 119.985 119.800 0.010 0.000 2.439 341 Q HA -0.178 4.162 4.340 -0.000 0.000 0.211 341 Q C 1.063 177.072 176.000 0.014 0.000 0.978 341 Q CA 1.413 57.222 55.803 0.010 0.000 0.897 341 Q CB -0.551 28.194 28.738 0.011 0.000 0.956 341 Q HN 0.618 nan 8.270 nan 0.000 0.483 342 N N 0.054 118.763 118.700 0.015 0.000 2.235 342 N HA 0.236 4.975 4.740 -0.000 0.000 0.209 342 N C 0.265 175.790 175.510 0.024 0.000 1.122 342 N CA 0.665 53.730 53.050 0.025 0.000 0.845 342 N CB 1.127 39.629 38.487 0.025 0.000 1.004 342 N HN 0.382 nan 8.380 nan 0.000 0.499 343 A N -0.025 122.801 122.820 0.010 0.000 2.469 343 A HA 0.298 4.618 4.320 -0.000 0.000 0.245 343 A C 0.561 178.150 177.584 0.008 0.000 1.221 343 A CA -0.112 51.926 52.037 0.002 0.000 0.946 343 A CB 0.326 19.313 19.000 -0.022 0.000 1.049 343 A HN 0.020 nan 8.150 nan 0.000 0.529 344 V N -4.835 115.086 119.914 0.012 0.000 3.130 344 V HA 1.028 5.147 4.120 -0.000 0.000 0.310 344 V C 0.026 176.130 176.094 0.016 0.000 1.158 344 V CA -0.063 62.242 62.300 0.010 0.000 1.029 344 V CB 1.200 33.022 31.823 -0.002 0.000 1.057 344 V HN 1.315 nan 8.190 nan 0.000 0.436 345 G N 0.137 108.945 108.800 0.014 0.000 2.398 345 G HA2 0.626 4.586 3.960 -0.000 0.000 0.251 345 G HA3 0.626 4.586 3.960 -0.000 0.000 0.251 345 G C -0.243 174.662 174.900 0.009 0.000 1.277 345 G CA -0.022 45.085 45.100 0.012 0.000 0.927 345 G HN 2.043 nan 8.290 nan 0.000 0.477 346 A N 0.209 123.033 122.820 0.007 0.000 2.524 346 A HA 0.473 4.793 4.320 -0.000 0.000 0.250 346 A C 0.822 178.411 177.584 0.008 0.000 1.078 346 A CA 1.320 53.359 52.037 0.003 0.000 0.761 346 A CB -0.443 18.557 19.000 0.001 0.000 1.012 346 A HN 1.403 nan 8.150 nan 0.000 0.500 347 D N -1.153 119.251 120.400 0.005 0.000 2.811 347 D HA -0.184 4.456 4.640 -0.000 0.000 0.231 347 D C -0.456 175.860 176.300 0.026 0.000 1.157 347 D CA 1.664 55.672 54.000 0.013 0.000 0.716 347 D CB -1.289 39.520 40.800 0.014 0.000 1.077 347 D HN 0.531 nan 8.370 nan 0.000 0.428 348 L N 0.042 121.279 121.223 0.024 0.000 2.505 348 L HA 0.384 4.724 4.340 -0.000 0.000 0.266 348 L C -1.090 175.794 176.870 0.022 0.000 0.954 348 L CA -0.158 54.701 54.840 0.031 0.000 0.852 348 L CB 1.952 44.032 42.059 0.035 0.000 1.282 348 L HN -0.010 nan 8.230 nan 0.000 0.403 349 Q N 4.370 124.185 119.800 0.024 0.000 2.544 349 Q HA 0.784 5.124 4.340 -0.000 0.000 0.291 349 Q C -1.296 174.702 176.000 -0.003 0.000 1.068 349 Q CA -0.904 54.906 55.803 0.010 0.000 0.785 349 Q CB 3.213 31.963 28.738 0.020 0.000 1.481 349 Q HN 0.739 nan 8.270 nan 0.000 0.430 350 I N -2.877 117.674 120.570 -0.032 0.000 3.174 350 I HA 0.735 4.904 4.170 -0.000 0.000 0.313 350 I C -1.277 174.780 176.117 -0.100 0.000 1.155 350 I CA -1.217 60.038 61.300 -0.076 0.000 0.977 350 I CB 2.249 40.175 38.000 -0.123 0.000 1.248 350 I HN 0.301 nan 8.210 nan 0.000 0.453 351 R N 3.302 123.696 120.500 -0.175 0.000 2.575 351 R HA 0.687 5.026 4.340 -0.000 0.000 0.293 351 R C -1.656 174.338 176.300 -0.509 0.000 0.983 351 R CA -0.745 55.232 56.100 -0.206 0.000 0.887 351 R CB 2.164 32.451 30.300 -0.023 0.000 1.184 351 R HN 0.697 nan 8.270 nan 0.000 0.445 352 L N 3.459 124.401 121.223 -0.468 0.000 2.349 352 L HA 0.420 4.759 4.340 -0.000 0.000 0.278 352 L C 0.481 177.140 176.870 -0.353 0.000 0.996 352 L CA -0.554 53.887 54.840 -0.666 0.000 0.825 352 L CB 1.163 42.778 42.059 -0.741 0.000 1.243 352 L HN 0.472 nan 8.230 nan 0.000 0.412 353 F N 1.280 121.116 119.950 -0.191 0.000 2.502 353 F HA 0.107 4.634 4.527 -0.000 0.000 0.298 353 F C 1.923 177.602 175.800 -0.202 0.000 1.111 353 F CA 0.435 58.339 58.000 -0.161 0.000 1.445 353 F CB -0.544 38.390 39.000 -0.110 0.000 1.081 353 F HN 0.774 nan 8.300 nan 0.000 0.558 354 G N 0.405 109.215 108.800 0.017 0.000 2.136 354 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.242 354 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.242 354 G C 0.350 175.283 174.900 0.055 0.000 0.989 354 G CA -0.223 44.864 45.100 -0.023 0.000 0.682 354 G HN 0.352 nan 8.290 nan 0.000 0.522 355 K N 0.697 121.180 120.400 0.138 0.000 2.451 355 K HA 0.240 4.560 4.320 -0.000 0.000 0.280 355 K C -0.652 176.064 176.600 0.193 0.000 1.020 355 K CA -0.635 55.762 56.287 0.183 0.000 1.008 355 K CB 1.196 33.804 32.500 0.181 0.000 0.917 355 K HN 0.108 nan 8.250 nan 0.000 0.478 356 P HA -0.179 nan 4.420 nan 0.000 0.221 356 P C -0.452 176.909 177.300 0.102 0.000 1.150 356 P CA 1.382 64.588 63.100 0.176 0.000 0.800 356 P CB 0.225 32.051 31.700 0.210 0.000 0.787 357 E N -1.684 118.556 120.200 0.067 0.000 2.429 357 E HA 0.614 4.964 4.350 -0.000 0.000 0.280 357 E C -1.553 175.048 176.600 0.002 0.000 1.068 357 E CA -1.101 55.314 56.400 0.024 0.000 0.837 357 E CB 1.219 30.923 29.700 0.007 0.000 1.357 357 E HN -0.047 nan 8.360 nan 0.000 0.455 358 I N 0.448 121.014 120.570 -0.007 0.000 2.827 358 I HA 0.449 4.619 4.170 -0.000 0.000 0.298 358 I C -2.043 174.063 176.117 -0.018 0.000 1.235 358 I CA -0.471 60.823 61.300 -0.010 0.000 1.021 358 I CB 2.357 40.361 38.000 0.006 0.000 1.259 358 I HN 0.727 nan 8.210 nan 0.000 0.427 359 D N 5.043 125.431 120.400 -0.019 0.000 2.978 359 D HA 0.605 5.245 4.640 -0.000 0.000 0.268 359 D C -0.344 175.950 176.300 -0.010 0.000 1.252 359 D CA 0.788 54.778 54.000 -0.017 0.000 0.771 359 D CB 0.674 41.461 40.800 -0.021 0.000 1.361 359 D HN 1.054 nan 8.370 nan 0.000 0.558 360 G N 0.279 109.075 108.800 -0.006 0.000 2.236 360 G HA2 0.187 4.147 3.960 -0.000 0.000 0.231 360 G HA3 0.187 4.147 3.960 -0.000 0.000 0.231 360 G C -1.137 173.766 174.900 0.005 0.000 1.334 360 G CA -0.297 44.803 45.100 0.001 0.000 1.137 360 G HN 0.464 nan 8.290 nan 0.000 0.482 361 S N -0.059 115.648 115.700 0.012 0.000 2.475 361 S HA 0.724 5.194 4.470 -0.000 0.000 0.281 361 S C 0.027 174.641 174.600 0.023 0.000 1.198 361 S CA 0.052 58.263 58.200 0.017 0.000 1.063 361 S CB 0.689 63.901 63.200 0.020 0.000 0.972 361 S HN 0.885 nan 8.310 nan 0.000 0.486 362 R N 3.233 123.751 120.500 0.030 0.000 2.561 362 R HA 0.263 4.603 4.340 -0.000 0.000 0.266 362 R C -1.163 175.177 176.300 0.066 0.000 1.091 362 R CA -0.748 55.378 56.100 0.043 0.000 0.927 362 R CB 1.132 31.455 30.300 0.037 0.000 1.240 362 R HN 0.763 nan 8.270 nan 0.000 0.449 363 R N 4.836 125.388 120.500 0.087 0.000 2.351 363 R HA 0.123 4.463 4.340 -0.000 0.000 0.318 363 R C 0.032 176.454 176.300 0.204 0.000 1.055 363 R CA 0.201 56.377 56.100 0.126 0.000 0.968 363 R CB 0.397 30.790 30.300 0.156 0.000 0.974 363 R HN 0.641 nan 8.270 nan 0.000 0.439 364 L N 3.621 124.910 121.223 0.109 0.000 2.664 364 L HA 0.378 4.718 4.340 -0.000 0.000 0.233 364 L C 0.953 177.576 176.870 -0.410 0.000 1.113 364 L CA 0.181 55.066 54.840 0.074 0.000 0.896 364 L CB 0.758 42.937 42.059 0.198 0.000 1.163 364 L HN 0.891 nan 8.230 nan 0.000 0.497 365 G N -0.059 108.353 108.800 -0.647 0.000 2.428 365 G HA2 0.507 4.467 3.960 -0.000 0.000 0.304 365 G HA3 0.507 4.467 3.960 -0.000 0.000 0.304 365 G C -1.750 172.776 174.900 -0.623 0.000 1.303 365 G CA -0.007 44.313 45.100 -1.300 0.000 0.825 365 G HN -0.180 nan 8.290 nan 0.000 0.484 366 V N -3.413 116.234 119.914 -0.445 0.000 3.120 366 V HA 0.953 5.073 4.120 -0.000 0.000 0.303 366 V C -0.070 175.978 176.094 -0.077 0.000 1.238 366 V CA -0.574 61.667 62.300 -0.098 0.000 1.008 366 V CB 1.174 33.086 31.823 0.148 0.000 1.064 366 V HN 2.286 nan 8.190 nan 0.000 0.434 367 A N 3.255 126.069 122.820 -0.010 0.000 2.325 367 A HA 0.986 5.306 4.320 -0.000 0.000 0.333 367 A C -0.843 176.782 177.584 0.069 0.000 1.155 367 A CA -0.770 51.273 52.037 0.009 0.000 0.814 367 A CB 1.217 20.222 19.000 0.008 0.000 1.206 367 A HN 1.052 nan 8.150 nan 0.000 0.482 368 L N 0.950 122.214 121.223 0.070 0.000 2.408 368 L HA 0.816 5.156 4.340 -0.000 0.000 0.268 368 L C 0.016 176.937 176.870 0.084 0.000 0.986 368 L CA -0.438 54.460 54.840 0.098 0.000 0.820 368 L CB 2.228 44.346 42.059 0.099 0.000 1.303 368 L HN 0.896 nan 8.230 nan 0.000 0.411 369 A N 0.977 123.856 122.820 0.097 0.000 2.572 369 A HA 0.896 5.215 4.320 -0.000 0.000 0.295 369 A C -0.673 176.963 177.584 0.088 0.000 1.072 369 A CA -0.475 51.610 52.037 0.080 0.000 0.691 369 A CB 2.109 21.154 19.000 0.076 0.000 1.291 369 A HN 0.631 nan 8.150 nan 0.000 0.404 370 T N -1.330 113.265 114.554 0.069 0.000 2.924 370 T HA 0.979 5.329 4.350 -0.000 0.000 0.291 370 T C -0.163 174.567 174.700 0.051 0.000 1.045 370 T CA 0.008 62.150 62.100 0.070 0.000 1.015 370 T CB 1.729 70.636 68.868 0.066 0.000 1.103 370 T HN 2.459 nan 8.240 nan 0.000 0.496 371 A N 0.769 123.619 122.820 0.049 0.000 2.467 371 A HA 0.665 4.985 4.320 -0.000 0.000 0.301 371 A C 0.203 177.805 177.584 0.030 0.000 1.126 371 A CA -0.653 51.402 52.037 0.031 0.000 0.632 371 A CB 0.297 19.311 19.000 0.023 0.000 1.331 371 A HN 0.652 nan 8.150 nan 0.000 0.482 372 E N 0.256 120.467 120.200 0.017 0.000 2.481 372 E HA 0.097 4.447 4.350 -0.000 0.000 0.195 372 E C 0.446 177.054 176.600 0.013 0.000 1.047 372 E CA 1.253 57.663 56.400 0.016 0.000 0.867 372 E CB 0.110 29.815 29.700 0.009 0.000 0.858 372 E HN 0.719 nan 8.360 nan 0.000 0.513 373 S N -1.239 114.466 115.700 0.008 0.000 2.579 373 S HA 0.272 4.742 4.470 -0.000 0.000 0.272 373 S C 1.002 175.599 174.600 -0.005 0.000 1.141 373 S CA -0.335 57.863 58.200 -0.004 0.000 0.843 373 S CB 1.729 64.915 63.200 -0.025 0.000 1.122 373 S HN -0.119 nan 8.310 nan 0.000 0.468 374 V N 0.110 120.013 119.914 -0.018 0.000 2.407 374 V HA -0.046 4.073 4.120 -0.000 0.000 0.248 374 V C 1.948 177.975 176.094 -0.112 0.000 1.055 374 V CA 1.575 63.858 62.300 -0.029 0.000 1.049 374 V CB -1.452 30.358 31.823 -0.022 0.000 0.662 374 V HN 0.694 nan 8.190 nan 0.000 0.455 375 V N 1.375 121.205 119.914 -0.141 0.000 2.255 375 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 375 V C 2.611 178.654 176.094 -0.085 0.000 1.051 375 V CA 2.725 64.937 62.300 -0.147 0.000 1.018 375 V CB -0.868 30.881 31.823 -0.123 0.000 0.641 375 V HN 0.562 nan 8.190 nan 0.000 0.445 376 D N 0.006 120.375 120.400 -0.051 0.000 2.144 376 D HA -0.070 4.569 4.640 -0.000 0.000 0.200 376 D C 2.192 178.490 176.300 -0.004 0.000 0.978 376 D CA 1.480 55.464 54.000 -0.027 0.000 0.833 376 D CB -0.322 40.468 40.800 -0.018 0.000 0.961 376 D HN 0.447 nan 8.370 nan 0.000 0.470 377 A N 0.821 123.649 122.820 0.012 0.000 1.902 377 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 377 A C 2.354 179.976 177.584 0.064 0.000 1.181 377 A CA 0.860 52.927 52.037 0.050 0.000 0.623 377 A CB -0.713 18.335 19.000 0.081 0.000 0.818 377 A HN 0.176 nan 8.150 nan 0.000 0.443 378 I N -0.517 120.077 120.570 0.040 0.000 2.179 378 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 378 I C 2.563 178.707 176.117 0.046 0.000 1.088 378 I CA 1.853 63.185 61.300 0.054 0.000 1.357 378 I CB -0.273 37.700 38.000 -0.045 0.000 1.051 378 I HN 0.450 nan 8.210 nan 0.000 0.409 379 E N 1.437 121.645 120.200 0.014 0.000 2.077 379 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 379 E C 2.229 178.867 176.600 0.063 0.000 0.989 379 E CA 1.492 57.908 56.400 0.026 0.000 0.800 379 E CB -0.214 29.482 29.700 -0.008 0.000 0.746 379 E HN 0.250 nan 8.360 nan 0.000 0.452 380 R N -0.333 120.197 120.500 0.051 0.000 2.081 380 R HA -0.084 4.255 4.340 -0.000 0.000 0.235 380 R C 2.203 178.566 176.300 0.105 0.000 1.131 380 R CA 1.517 57.659 56.100 0.070 0.000 0.960 380 R CB -0.437 29.890 30.300 0.045 0.000 0.856 380 R HN 0.260 nan 8.270 nan 0.000 0.436 381 A N 0.996 123.872 122.820 0.094 0.000 1.898 381 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 381 A C 1.966 179.601 177.584 0.085 0.000 1.181 381 A CA 1.461 53.554 52.037 0.093 0.000 0.620 381 A CB -0.291 18.777 19.000 0.113 0.000 0.819 381 A HN 0.327 nan 8.150 nan 0.000 0.442 382 K N -1.356 119.099 120.400 0.092 0.000 2.026 382 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 382 K C 2.097 178.736 176.600 0.064 0.000 1.048 382 K CA 1.764 58.094 56.287 0.072 0.000 0.929 382 K CB -0.371 32.172 32.500 0.072 0.000 0.713 382 K HN 0.725 nan 8.250 nan 0.000 0.439 383 H N 0.570 119.649 119.070 0.014 0.000 2.319 383 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 383 H C 1.821 177.154 175.328 0.008 0.000 1.092 383 H CA 2.018 58.071 56.048 0.008 0.000 1.302 383 H CB -0.119 29.646 29.762 0.006 0.000 1.373 383 H HN 0.241 nan 8.280 nan 0.000 0.497 384 A N 0.828 123.676 122.820 0.046 0.000 1.877 384 A HA -0.105 4.214 4.320 -0.000 0.000 0.216 384 A C 2.631 180.180 177.584 -0.057 0.000 1.186 384 A CA 1.853 53.886 52.037 -0.006 0.000 0.620 384 A CB -1.436 17.591 19.000 0.044 0.000 0.822 384 A HN 0.632 nan 8.150 nan 0.000 0.443 385 A N -0.580 122.219 122.820 -0.035 0.000 1.940 385 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 385 A C 2.361 179.908 177.584 -0.063 0.000 1.176 385 A CA 1.949 53.958 52.037 -0.045 0.000 0.631 385 A CB -1.315 17.668 19.000 -0.028 0.000 0.814 385 A HN 0.793 nan 8.150 nan 0.000 0.446 386 G N -1.610 107.133 108.800 -0.094 0.000 2.484 386 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.218 386 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.218 386 G C 1.467 176.283 174.900 -0.140 0.000 1.130 386 G CA 0.686 45.720 45.100 -0.111 0.000 0.784 386 G HN 0.459 nan 8.290 nan 0.000 0.543 387 Q N 0.088 119.777 119.800 -0.185 0.000 2.230 387 Q HA 0.045 4.385 4.340 -0.000 0.000 0.202 387 Q C 1.159 177.122 176.000 -0.061 0.000 0.963 387 Q CA 0.143 55.857 55.803 -0.147 0.000 0.866 387 Q CB -0.248 28.400 28.738 -0.151 0.000 0.931 387 Q HN 0.321 nan 8.270 nan 0.000 0.452 388 V N 2.632 122.525 119.914 -0.035 0.000 2.529 388 V HA -0.027 4.093 4.120 -0.000 0.000 0.292 388 V C 0.596 176.709 176.094 0.032 0.000 1.028 388 V CA 0.231 62.544 62.300 0.021 0.000 1.074 388 V CB 0.358 32.207 31.823 0.044 0.000 0.958 388 V HN 0.053 nan 8.190 nan 0.000 0.481 389 K N 4.860 125.282 120.400 0.035 0.000 2.266 389 K HA 0.423 4.743 4.320 -0.000 0.000 0.274 389 K C -0.941 175.650 176.600 -0.015 0.000 1.090 389 K CA -0.439 55.850 56.287 0.002 0.000 0.925 389 K CB 0.940 33.434 32.500 -0.010 0.000 1.225 389 K HN 0.557 nan 8.250 nan 0.000 0.458 390 V N 5.098 124.992 119.914 -0.034 0.000 2.406 390 V HA 0.213 4.333 4.120 -0.000 0.000 0.272 390 V C -0.102 175.896 176.094 -0.160 0.000 1.043 390 V CA -0.367 61.849 62.300 -0.140 0.000 0.915 390 V CB 1.121 32.907 31.823 -0.062 0.000 0.988 390 V HN 0.796 nan 8.190 nan 0.000 0.466 391 Q N 2.242 121.903 119.800 -0.233 0.000 2.495 391 Q HA 0.847 5.187 4.340 -0.000 0.000 0.287 391 Q C -0.090 175.798 176.000 -0.187 0.000 1.078 391 Q CA -0.651 55.054 55.803 -0.162 0.000 0.793 391 Q CB 2.948 31.612 28.738 -0.123 0.000 1.459 391 Q HN 0.907 nan 8.270 nan 0.000 0.422 392 G N 0.000 108.726 108.800 -0.124 0.000 5.446 392 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 392 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 392 G CA 0.000 45.033 45.100 -0.111 0.000 0.502 392 G HN 0.000 nan 8.290 nan 0.000 0.925