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 1q83_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXGNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.612 176.600 0.019 0.000 1.382 1 E CA 0.000 56.416 56.400 0.026 0.000 0.976 1 E CB 0.000 29.718 29.700 0.030 0.000 0.812 2 G N -0.094 108.718 108.800 0.019 0.000 2.705 2 G HA2 -0.162 3.804 3.960 0.010 0.000 0.193 2 G HA3 -0.162 3.804 3.960 0.010 0.000 0.193 2 G C 0.803 175.712 174.900 0.014 0.000 1.015 2 G CA 0.154 45.263 45.100 0.014 0.000 0.743 2 G HN 0.295 nan 8.290 nan 0.000 0.476 3 R N 1.193 121.702 120.500 0.015 0.000 2.437 3 R HA 0.236 4.582 4.340 0.010 0.000 0.257 3 R C 0.399 176.708 176.300 0.016 0.000 0.927 3 R CA 0.507 56.615 56.100 0.013 0.000 1.078 3 R CB 0.625 30.930 30.300 0.010 0.000 1.161 3 R HN 0.688 nan 8.270 nan 0.000 0.529 4 E N 0.926 121.139 120.200 0.021 0.000 2.239 4 E HA 0.162 4.518 4.350 0.010 0.000 0.261 4 E C -0.791 175.830 176.600 0.035 0.000 1.016 4 E CA -0.985 55.430 56.400 0.025 0.000 0.882 4 E CB 0.903 30.620 29.700 0.028 0.000 1.190 4 E HN -0.254 nan 8.360 nan 0.000 0.415 5 D N 2.086 122.513 120.400 0.046 0.000 2.451 5 D HA -0.014 4.632 4.640 0.010 0.000 0.254 5 D C -1.306 175.034 176.300 0.066 0.000 1.204 5 D CA -1.731 52.312 54.000 0.072 0.000 0.896 5 D CB 0.830 41.695 40.800 0.108 0.000 1.136 5 D HN 0.193 nan 8.370 nan 0.000 0.499 6 P HA -0.068 nan 4.420 nan 0.000 0.237 6 P C 0.439 177.756 177.300 0.027 0.000 1.178 6 P CA 0.664 63.784 63.100 0.033 0.000 0.766 6 P CB 0.328 32.037 31.700 0.015 0.000 0.876 7 Q N -0.495 119.320 119.800 0.025 0.000 2.320 7 Q HA 0.226 4.572 4.340 0.010 0.000 0.201 7 Q C 1.230 177.283 176.000 0.089 0.000 0.910 7 Q CA 0.216 56.001 55.803 -0.030 0.000 0.946 7 Q CB 0.109 28.695 28.738 -0.253 0.000 1.062 7 Q HN 0.331 nan 8.270 nan 0.000 0.503 8 L N 0.169 121.480 121.223 0.147 0.000 3.184 8 L HA 0.297 4.643 4.340 0.010 0.000 0.283 8 L C -0.408 176.639 176.870 0.295 0.000 1.218 8 L CA -0.052 54.919 54.840 0.219 0.000 1.028 8 L CB 0.698 42.808 42.059 0.086 0.000 1.400 8 L HN 0.104 nan 8.230 nan 0.000 0.591 9 L N 1.199 122.537 121.223 0.191 0.000 2.265 9 L HA 0.564 4.910 4.340 0.010 0.000 0.289 9 L C -0.632 176.273 176.870 0.059 0.000 1.033 9 L CA -0.462 54.466 54.840 0.146 0.000 0.814 9 L CB 1.697 43.805 42.059 0.082 0.000 1.203 9 L HN -0.199 nan 8.230 nan 0.000 0.423 10 V N 3.286 123.204 119.914 0.008 0.000 2.962 10 V HA 0.534 4.660 4.120 0.010 0.000 0.313 10 V C -0.355 175.649 176.094 -0.149 0.000 1.099 10 V CA -0.805 61.360 62.300 -0.225 0.000 0.971 10 V CB 2.837 34.257 31.823 -0.671 0.000 1.028 10 V HN 0.751 nan 8.190 nan 0.000 0.430 11 R N 2.041 122.427 120.500 -0.190 0.000 2.514 11 R HA 0.846 5.192 4.340 0.010 0.000 0.301 11 R C -1.027 175.175 176.300 -0.163 0.000 0.962 11 R CA -0.347 55.683 56.100 -0.116 0.000 0.882 11 R CB 1.938 32.175 30.300 -0.106 0.000 1.143 11 R HN 0.704 nan 8.270 nan 0.000 0.452 12 V N 1.543 121.416 119.914 -0.069 0.000 3.155 12 V HA 0.516 4.641 4.120 0.010 0.000 0.313 12 V C 1.043 177.057 176.094 -0.134 0.000 1.162 12 V CA -1.018 61.235 62.300 -0.078 0.000 1.048 12 V CB 1.661 33.558 31.823 0.123 0.000 1.092 12 V HN 0.869 nan 8.190 nan 0.000 0.447 13 R N 1.506 121.913 120.500 -0.155 0.000 2.133 13 R HA -0.041 4.305 4.340 0.010 0.000 0.247 13 R C 1.812 177.980 176.300 -0.220 0.000 1.151 13 R CA 2.543 58.549 56.100 -0.156 0.000 0.971 13 R CB -1.215 29.011 30.300 -0.125 0.000 0.866 13 R HN 1.053 nan 8.270 nan 0.000 0.447 14 G N -2.070 106.555 108.800 -0.292 0.000 2.623 14 G HA2 0.361 4.327 3.960 0.010 0.000 0.214 14 G HA3 0.361 4.327 3.960 0.010 0.000 0.214 14 G C 0.426 174.416 174.900 -1.518 0.000 1.138 14 G CA 0.453 45.102 45.100 -0.751 0.000 0.794 14 G HN 0.745 nan 8.290 nan 0.000 0.535 15 G N -1.250 106.927 108.800 -1.038 0.000 2.339 15 G HA2 0.186 4.151 3.960 0.010 0.000 0.275 15 G HA3 0.186 4.151 3.960 0.010 0.000 0.275 15 G C -1.272 173.577 174.900 -0.085 0.000 1.323 15 G CA -0.921 43.728 45.100 -0.752 0.000 0.927 15 G HN 0.220 nan 8.290 nan 0.000 0.486 16 Q N -0.252 119.635 119.800 0.145 0.000 2.293 16 Q HA 0.622 4.968 4.340 0.010 0.000 0.251 16 Q C -0.524 175.733 176.000 0.428 0.000 0.930 16 Q CA 0.063 56.006 55.803 0.233 0.000 0.893 16 Q CB 1.625 30.462 28.738 0.164 0.000 1.215 16 Q HN 0.423 nan 8.270 nan 0.000 0.425 17 L N 1.682 123.094 121.223 0.316 0.000 2.381 17 L HA 0.587 4.933 4.340 0.010 0.000 0.268 17 L C -0.328 176.731 176.870 0.315 0.000 0.997 17 L CA -0.739 54.310 54.840 0.348 0.000 0.818 17 L CB 2.166 44.473 42.059 0.413 0.000 1.310 17 L HN 0.431 nan 8.230 nan 0.000 0.416 18 R N 0.887 121.546 120.500 0.265 0.000 2.393 18 R HA 0.645 4.991 4.340 0.010 0.000 0.315 18 R C -0.275 176.111 176.300 0.144 0.000 0.952 18 R CA -0.298 55.926 56.100 0.207 0.000 0.842 18 R CB 1.752 32.112 30.300 0.100 0.000 1.163 18 R HN 0.843 nan 8.270 nan 0.000 0.450 19 G N 3.204 112.005 108.800 0.002 0.000 2.606 19 G HA2 0.496 4.462 3.960 0.010 0.000 0.262 19 G HA3 0.496 4.462 3.960 0.010 0.000 0.262 19 G C -1.002 173.684 174.900 -0.356 0.000 1.394 19 G CA -0.645 44.145 45.100 -0.517 0.000 1.044 19 G HN 0.578 nan 8.290 nan 0.000 0.553 20 I N -0.910 119.401 120.570 -0.432 0.000 2.619 20 I HA 0.477 4.653 4.170 0.010 0.000 0.292 20 I C -0.125 175.852 176.117 -0.233 0.000 1.100 20 I CA -1.025 60.118 61.300 -0.262 0.000 1.043 20 I CB 2.090 39.944 38.000 -0.244 0.000 1.239 20 I HN 0.419 nan 8.210 nan 0.000 0.420 21 R N 7.615 128.007 120.500 -0.179 0.000 2.296 21 R HA 0.459 4.805 4.340 0.010 0.000 0.323 21 R C -1.485 174.685 176.300 -0.216 0.000 1.067 21 R CA -0.168 55.783 56.100 -0.247 0.000 0.946 21 R CB 0.361 30.450 30.300 -0.352 0.000 0.991 21 R HN 0.632 nan 8.270 nan 0.000 0.448 22 L N 3.677 124.792 121.223 -0.180 0.000 2.334 22 L HA 0.444 4.790 4.340 0.010 0.000 0.272 22 L C 0.089 176.875 176.870 -0.140 0.000 1.020 22 L CA -0.828 53.932 54.840 -0.133 0.000 0.812 22 L CB 1.722 43.739 42.059 -0.070 0.000 1.264 22 L HN 0.487 nan 8.230 nan 0.000 0.439 23 K N 1.777 122.105 120.400 -0.120 0.000 2.234 23 K HA 0.672 4.998 4.320 0.010 0.000 0.277 23 K C -0.941 175.594 176.600 -0.107 0.000 1.038 23 K CA -0.315 55.908 56.287 -0.107 0.000 0.888 23 K CB 1.461 33.911 32.500 -0.084 0.000 1.091 23 K HN 0.720 nan 8.250 nan 0.000 0.467 24 A N 5.097 127.857 122.820 -0.100 0.000 2.322 24 A HA 0.513 4.839 4.320 0.010 0.000 0.327 24 A C -2.095 175.486 177.584 -0.004 0.000 1.134 24 A CA -1.706 50.270 52.037 -0.102 0.000 0.831 24 A CB 0.844 19.753 19.000 -0.152 0.000 1.288 24 A HN 0.606 nan 8.150 nan 0.000 0.472 25 P HA -0.129 nan 4.420 nan 0.000 0.216 25 P C 1.254 178.578 177.300 0.041 0.000 1.157 25 P CA 2.217 65.360 63.100 0.071 0.000 0.880 25 P CB 0.206 31.974 31.700 0.114 0.000 0.791 26 G N -2.431 106.395 108.800 0.044 0.000 3.088 26 G HA2 0.470 4.436 3.960 0.010 0.000 0.217 26 G HA3 0.470 4.436 3.960 0.010 0.000 0.217 26 G C 0.450 175.364 174.900 0.022 0.000 1.159 26 G CA 0.440 45.558 45.100 0.031 0.000 0.760 26 G HN 0.614 nan 8.290 nan 0.000 0.550 27 G N -0.420 108.386 108.800 0.010 0.000 2.337 27 G HA2 0.398 4.364 3.960 0.010 0.000 0.298 27 G HA3 0.398 4.364 3.960 0.010 0.000 0.298 27 G C -3.397 171.487 174.900 -0.027 0.000 1.335 27 G CA -0.775 44.326 45.100 0.002 0.000 0.875 27 G HN 0.019 nan 8.290 nan 0.000 0.579 28 P HA 0.510 nan 4.420 nan 0.000 0.274 28 P C -0.068 177.220 177.300 -0.020 0.000 1.231 28 P CA -0.213 62.804 63.100 -0.138 0.000 0.790 28 P CB 1.669 33.148 31.700 -0.368 0.000 0.951 29 V N -1.204 118.694 119.914 -0.027 0.000 3.007 29 V HA 0.623 4.749 4.120 0.010 0.000 0.311 29 V C -0.424 175.743 176.094 0.121 0.000 1.120 29 V CA -0.857 61.514 62.300 0.118 0.000 0.980 29 V CB 1.868 33.764 31.823 0.121 0.000 1.033 29 V HN 0.444 nan 8.190 nan 0.000 0.429 30 S N 2.153 117.999 115.700 0.243 0.000 2.537 30 S HA 0.851 5.327 4.470 0.010 0.000 0.275 30 S C 0.070 174.668 174.600 -0.005 0.000 1.272 30 S CA 0.070 58.355 58.200 0.140 0.000 1.050 30 S CB 1.247 64.622 63.200 0.292 0.000 0.961 30 S HN 1.643 nan 8.310 nan 0.000 0.496 31 A N 2.528 125.157 122.820 -0.320 0.000 2.374 31 A HA 0.778 5.104 4.320 0.010 0.000 0.305 31 A C -1.257 175.916 177.584 -0.684 0.000 1.053 31 A CA -0.652 51.100 52.037 -0.474 0.000 0.726 31 A CB 0.516 19.209 19.000 -0.511 0.000 1.229 31 A HN 0.679 nan 8.150 nan 0.000 0.431 32 F N 2.892 122.686 119.950 -0.260 0.000 2.359 32 F HA 0.464 4.997 4.527 0.010 0.000 0.369 32 F C -0.169 175.459 175.800 -0.287 0.000 1.084 32 F CA -0.302 57.617 58.000 -0.135 0.000 1.096 32 F CB 1.233 40.308 39.000 0.125 0.000 1.335 32 F HN 0.345 nan 8.300 nan 0.000 0.457 33 L N 2.189 123.270 121.223 -0.235 0.000 2.325 33 L HA 0.688 5.034 4.340 0.010 0.000 0.278 33 L C 0.903 177.676 176.870 -0.161 0.000 1.023 33 L CA -0.940 53.699 54.840 -0.335 0.000 0.811 33 L CB 1.700 43.367 42.059 -0.653 0.000 1.249 33 L HN 0.820 nan 8.230 nan 0.000 0.431 34 G N 3.157 111.920 108.800 -0.062 0.000 2.225 34 G HA2 -0.249 3.717 3.960 0.010 0.000 0.264 34 G HA3 -0.249 3.717 3.960 0.010 0.000 0.264 34 G C -0.141 174.794 174.900 0.059 0.000 1.060 34 G CA -0.371 44.703 45.100 -0.043 0.000 0.833 34 G HN 0.482 nan 8.290 nan 0.000 0.498 35 I N 2.162 122.786 120.570 0.090 0.000 2.471 35 I HA 0.244 4.420 4.170 0.010 0.000 0.286 35 I C -1.422 174.784 176.117 0.149 0.000 1.079 35 I CA -2.090 59.262 61.300 0.086 0.000 1.398 35 I CB 1.040 39.043 38.000 0.006 0.000 1.403 35 I HN -0.022 nan 8.210 nan 0.000 0.530 36 P HA 0.066 nan 4.420 nan 0.000 0.281 36 P C -0.248 177.042 177.300 -0.017 0.000 1.252 36 P CA -0.053 62.971 63.100 -0.126 0.000 0.778 36 P CB 0.535 32.148 31.700 -0.146 0.000 0.895 37 F N 1.106 120.925 119.950 -0.218 0.000 2.682 37 F HA 0.729 5.262 4.527 0.010 0.000 0.308 37 F C 0.054 175.852 175.800 -0.003 0.000 1.093 37 F CA -0.721 57.211 58.000 -0.113 0.000 1.244 37 F CB 0.272 39.098 39.000 -0.291 0.000 1.052 37 F HN 0.319 nan 8.300 nan 0.000 0.573 38 A N 0.115 122.633 122.820 -0.503 0.000 2.587 38 A HA 0.550 4.876 4.320 0.010 0.000 0.293 38 A C -0.867 176.556 177.584 -0.269 0.000 1.087 38 A CA -0.800 51.037 52.037 -0.333 0.000 0.692 38 A CB 1.016 19.727 19.000 -0.481 0.000 1.291 38 A HN 0.080 nan 8.150 nan 0.000 0.407 39 E N 1.339 121.459 120.200 -0.132 0.000 2.384 39 E HA 0.220 4.576 4.350 0.010 0.000 0.266 39 E C -2.296 174.211 176.600 -0.155 0.000 1.012 39 E CA -1.267 55.072 56.400 -0.103 0.000 0.901 39 E CB 0.095 29.773 29.700 -0.036 0.000 0.967 39 E HN 0.233 nan 8.360 nan 0.000 0.435 40 P HA -0.016 nan 4.420 nan 0.000 0.256 40 P C -2.256 174.981 177.300 -0.106 0.000 1.173 40 P CA -0.677 62.339 63.100 -0.141 0.000 0.768 40 P CB -0.152 31.502 31.700 -0.077 0.000 0.758 41 P HA 0.021 nan 4.420 nan 0.000 0.220 41 P C -0.348 176.899 177.300 -0.090 0.000 1.806 41 P CA 0.089 63.136 63.100 -0.088 0.000 0.976 41 P CB -0.060 31.591 31.700 -0.082 0.000 1.952 42 V N -2.162 117.705 119.914 -0.078 0.000 3.019 42 V HA 0.923 5.049 4.120 0.010 0.000 0.317 42 V C 0.830 176.885 176.094 -0.065 0.000 1.094 42 V CA 0.105 62.357 62.300 -0.079 0.000 1.000 42 V CB 1.026 32.811 31.823 -0.064 0.000 1.060 42 V HN 0.575 nan 8.190 nan 0.000 0.443 43 G N 2.601 111.361 108.800 -0.066 0.000 2.565 43 G HA2 -0.319 3.647 3.960 0.010 0.000 0.295 43 G HA3 -0.319 3.647 3.960 0.010 0.000 0.295 43 G C 1.171 176.043 174.900 -0.046 0.000 1.165 43 G CA 1.450 46.523 45.100 -0.046 0.000 0.977 43 G HN 2.388 nan 8.290 nan 0.000 0.546 44 S N 0.424 116.110 115.700 -0.022 0.000 2.555 44 S HA 0.093 4.568 4.470 0.010 0.000 0.230 44 S C 1.843 176.437 174.600 -0.010 0.000 0.978 44 S CA 1.509 59.705 58.200 -0.006 0.000 0.934 44 S CB 0.038 63.243 63.200 0.009 0.000 0.766 44 S HN 0.685 nan 8.310 nan 0.000 0.533 45 R N 0.833 121.314 120.500 -0.032 0.000 2.317 45 R HA 0.282 4.628 4.340 0.010 0.000 0.208 45 R C 0.835 177.094 176.300 -0.068 0.000 0.914 45 R CA -0.219 55.863 56.100 -0.031 0.000 1.060 45 R CB 0.061 30.342 30.300 -0.031 0.000 1.015 45 R HN 0.333 nan 8.270 nan 0.000 0.498 46 R N 0.771 121.181 120.500 -0.150 0.000 2.537 46 R HA -0.061 4.285 4.340 0.010 0.000 0.280 46 R C -0.462 175.631 176.300 -0.346 0.000 1.058 46 R CA 0.412 56.297 56.100 -0.358 0.000 1.057 46 R CB 0.185 30.136 30.300 -0.582 0.000 0.973 46 R HN 0.141 nan 8.270 nan 0.000 0.438 47 F N -0.586 119.383 119.950 0.033 0.000 2.656 47 F HA -0.272 4.261 4.527 0.010 0.000 0.381 47 F C -0.091 175.708 175.800 -0.002 0.000 0.603 47 F CA 0.426 58.424 58.000 -0.004 0.000 1.335 47 F CB -1.441 37.545 39.000 -0.022 0.000 1.836 47 F HN 0.435 nan 8.300 nan 0.000 0.290 48 M N 0.871 120.544 119.600 0.122 0.000 2.444 48 M HA 0.446 4.932 4.480 0.010 0.000 0.319 48 M C -1.916 174.421 176.300 0.061 0.000 1.183 48 M CA -1.963 53.389 55.300 0.088 0.000 1.032 48 M CB 0.375 33.011 32.600 0.060 0.000 1.569 48 M HN -0.355 nan 8.290 nan 0.000 0.468 49 P HA 0.072 nan 4.420 nan 0.000 0.266 49 P C -2.389 174.944 177.300 0.055 0.000 1.193 49 P CA -0.365 62.775 63.100 0.067 0.000 0.770 49 P CB -0.467 31.280 31.700 0.079 0.000 0.836 50 P HA 0.142 nan 4.420 nan 0.000 0.279 50 P C -0.639 176.693 177.300 0.054 0.000 1.239 50 P CA -0.006 63.118 63.100 0.040 0.000 0.789 50 P CB 0.953 32.691 31.700 0.063 0.000 0.933 51 E N 3.318 123.536 120.200 0.029 0.000 2.242 51 E HA 0.365 4.721 4.350 0.010 0.000 0.275 51 E C -2.318 174.315 176.600 0.054 0.000 1.002 51 E CA -2.293 54.134 56.400 0.046 0.000 0.841 51 E CB 0.073 29.792 29.700 0.032 0.000 1.109 51 E HN 0.338 nan 8.360 nan 0.000 0.394 52 P HA -0.066 nan 4.420 nan 0.000 0.267 52 P C -0.473 176.891 177.300 0.105 0.000 1.200 52 P CA -0.063 63.114 63.100 0.128 0.000 0.772 52 P CB 0.402 32.184 31.700 0.137 0.000 0.855 53 K N 3.414 123.898 120.400 0.140 0.000 2.448 53 K HA 0.035 4.361 4.320 0.010 0.000 0.278 53 K C 0.124 176.827 176.600 0.172 0.000 1.009 53 K CA 0.448 56.824 56.287 0.148 0.000 0.995 53 K CB 0.191 32.829 32.500 0.231 0.000 0.917 53 K HN 0.273 nan 8.250 nan 0.000 0.481 54 R N 5.052 125.642 120.500 0.150 0.000 2.490 54 R HA 0.201 4.547 4.340 0.010 0.000 0.280 54 R C -2.004 174.393 176.300 0.163 0.000 1.077 54 R CA -1.734 54.440 56.100 0.123 0.000 1.065 54 R CB 0.331 30.688 30.300 0.095 0.000 1.003 54 R HN 0.618 nan 8.270 nan 0.000 0.470 55 P HA -0.104 nan 4.420 nan 0.000 0.267 55 P C -1.055 176.276 177.300 0.051 0.000 1.201 55 P CA 0.285 63.319 63.100 -0.110 0.000 0.775 55 P CB 0.304 31.905 31.700 -0.165 0.000 0.854 56 W N 0.406 121.741 121.300 0.058 0.000 2.902 56 W HA 0.719 5.384 4.660 0.010 0.000 0.346 56 W C -0.834 175.712 176.519 0.045 0.000 1.139 56 W CA -1.002 56.374 57.345 0.052 0.000 1.139 56 W CB 0.179 29.678 29.460 0.065 0.000 1.439 56 W HN 0.395 nan 8.180 nan 0.000 0.558 57 S N 1.371 117.253 115.700 0.303 0.000 2.638 57 S HA 0.857 5.333 4.470 0.010 0.000 0.298 57 S C 0.379 175.138 174.600 0.264 0.000 1.111 57 S CA 0.034 58.343 58.200 0.181 0.000 1.027 57 S CB 0.972 64.237 63.200 0.109 0.000 1.064 57 S HN 2.292 nan 8.310 nan 0.000 0.525 58 G N 0.198 109.106 108.800 0.180 0.000 2.697 58 G HA2 -0.139 3.826 3.960 0.010 0.000 0.240 58 G HA3 -0.139 3.826 3.960 0.010 0.000 0.240 58 G C -0.710 174.351 174.900 0.267 0.000 1.346 58 G CA -0.321 44.885 45.100 0.177 0.000 0.887 58 G HN 1.693 nan 8.290 nan 0.000 0.569 59 V N 0.918 120.953 119.914 0.201 0.000 2.350 59 V HA 0.527 4.653 4.120 0.010 0.000 0.276 59 V C 0.867 177.057 176.094 0.160 0.000 1.028 59 V CA -0.220 62.208 62.300 0.213 0.000 0.860 59 V CB 1.141 33.046 31.823 0.135 0.000 0.990 59 V HN 0.838 nan 8.190 nan 0.000 0.453 60 L N 4.569 125.900 121.223 0.179 0.000 2.367 60 L HA 0.358 4.704 4.340 0.010 0.000 0.275 60 L C 0.520 177.383 176.870 -0.013 0.000 1.129 60 L CA 0.040 54.831 54.840 -0.082 0.000 0.839 60 L CB 0.730 42.492 42.059 -0.495 0.000 1.133 60 L HN 0.698 nan 8.230 nan 0.000 0.453 61 D N 4.668 125.033 120.400 -0.057 0.000 2.343 61 D HA 0.215 4.861 4.640 0.010 0.000 0.255 61 D C -0.477 175.784 176.300 -0.064 0.000 1.187 61 D CA 0.038 54.013 54.000 -0.042 0.000 0.875 61 D CB 1.558 42.322 40.800 -0.060 0.000 1.136 61 D HN 0.701 nan 8.370 nan 0.000 0.469 62 A N 3.056 125.860 122.820 -0.027 0.000 2.956 62 A HA 0.212 4.538 4.320 0.010 0.000 0.294 62 A C 0.790 178.293 177.584 -0.133 0.000 0.993 62 A CA -0.449 51.568 52.037 -0.034 0.000 1.032 62 A CB -0.043 19.041 19.000 0.141 0.000 1.129 62 A HN 0.556 nan 8.150 nan 0.000 0.505 63 T N -3.233 111.219 114.554 -0.170 0.000 3.044 63 T HA 0.295 4.651 4.350 0.010 0.000 0.260 63 T C 0.618 175.155 174.700 -0.272 0.000 1.019 63 T CA 0.712 62.679 62.100 -0.223 0.000 0.921 63 T CB -0.151 68.618 68.868 -0.165 0.000 1.053 63 T HN 0.766 nan 8.240 nan 0.000 0.533 64 T N -0.408 113.985 114.554 -0.269 0.000 2.916 64 T HA 0.688 5.043 4.350 0.010 0.000 0.305 64 T C -0.757 173.777 174.700 -0.276 0.000 1.119 64 T CA -0.881 61.049 62.100 -0.284 0.000 1.008 64 T CB 1.021 69.792 68.868 -0.162 0.000 1.129 64 T HN -0.013 nan 8.240 nan 0.000 0.480 65 F N 2.210 122.085 119.950 -0.125 0.000 2.602 65 F HA 0.261 4.794 4.527 0.010 0.000 0.367 65 F C 1.518 177.213 175.800 -0.175 0.000 1.126 65 F CA 0.022 57.949 58.000 -0.122 0.000 1.321 65 F CB 0.351 39.307 39.000 -0.074 0.000 1.094 65 F HN 0.506 nan 8.300 nan 0.000 0.594 66 Q N 1.300 121.097 119.800 -0.006 0.000 2.173 66 Q HA 0.227 4.573 4.340 0.010 0.000 0.186 66 Q C -0.180 175.735 176.000 -0.143 0.000 1.018 66 Q CA -0.864 54.784 55.803 -0.259 0.000 1.064 66 Q CB 0.562 28.830 28.738 -0.783 0.000 1.130 66 Q HN 0.502 nan 8.270 nan 0.000 0.553 67 N N -0.020 118.565 118.700 -0.191 0.000 2.395 67 N HA -0.001 4.745 4.740 0.010 0.000 0.246 67 N C -0.524 174.965 175.510 -0.034 0.000 1.246 67 N CA 0.172 53.167 53.050 -0.092 0.000 0.879 67 N CB 0.326 38.779 38.487 -0.057 0.000 1.098 67 N HN 0.174 nan 8.380 nan 0.000 0.444 68 V N 1.771 121.635 119.914 -0.084 0.000 2.649 68 V HA 0.076 4.202 4.120 0.010 0.000 0.292 68 V C 0.704 176.739 176.094 -0.098 0.000 1.055 68 V CA -0.802 61.436 62.300 -0.104 0.000 1.023 68 V CB 0.938 32.657 31.823 -0.173 0.000 0.992 68 V HN 0.693 nan 8.190 nan 0.000 0.480 69 c N 3.969 122.530 118.600 -0.066 0.000 2.662 69 c HA 0.165 4.741 4.570 0.010 0.000 0.420 69 c C 0.462 174.501 174.090 -0.084 0.000 1.314 69 c CA -0.642 55.656 56.329 -0.052 0.000 1.963 69 c CB -0.931 41.583 42.510 0.006 0.000 2.686 69 c HN 0.765 nan 8.230 nan 0.000 0.609 70 Y N 3.603 123.774 120.300 -0.215 0.000 2.717 70 Y HA 0.252 4.808 4.550 0.010 0.000 0.330 70 Y C 0.827 176.746 175.900 0.031 0.000 1.217 70 Y CA 1.005 58.981 58.100 -0.207 0.000 1.506 70 Y CB 0.194 38.322 38.460 -0.553 0.000 1.268 70 Y HN 0.755 nan 8.280 nan 0.000 0.561 71 Q N 3.947 123.852 119.800 0.176 0.000 2.633 71 Q HA 0.197 4.543 4.340 0.010 0.000 0.289 71 Q C -1.942 174.229 176.000 0.285 0.000 0.940 71 Q CA -1.206 54.776 55.803 0.298 0.000 0.785 71 Q CB 1.205 30.018 28.738 0.125 0.000 1.467 71 Q HN 0.678 nan 8.270 nan 0.000 0.401 72 Y N 1.320 121.805 120.300 0.308 0.000 2.526 72 Y HA 0.373 4.928 4.550 0.010 0.000 0.330 72 Y C -0.919 175.088 175.900 0.177 0.000 1.156 72 Y CA 0.030 58.281 58.100 0.252 0.000 1.419 72 Y CB 0.925 39.556 38.460 0.284 0.000 1.250 72 Y HN 0.440 nan 8.280 nan 0.000 0.540 73 V N 6.892 126.393 119.914 -0.688 0.000 2.370 73 V HA 0.092 4.218 4.120 0.010 0.000 0.279 73 V C -0.267 175.341 176.094 -0.810 0.000 1.029 73 V CA -0.957 61.018 62.300 -0.542 0.000 0.870 73 V CB 1.182 32.812 31.823 -0.321 0.000 0.984 73 V HN 0.733 nan 8.190 nan 0.000 0.451 74 D N 4.036 124.259 120.400 -0.293 0.000 2.371 74 D HA 0.127 4.772 4.640 0.010 0.000 0.256 74 D C 0.964 177.262 176.300 -0.003 0.000 1.193 74 D CA 0.287 54.296 54.000 0.014 0.000 0.881 74 D CB 1.424 42.398 40.800 0.289 0.000 1.143 74 D HN 0.743 nan 8.370 nan 0.000 0.473 75 T N 1.299 115.850 114.554 -0.004 0.000 3.170 75 T HA 0.021 4.377 4.350 0.010 0.000 0.288 75 T C 1.702 176.385 174.700 -0.028 0.000 0.992 75 T CA -0.464 61.632 62.100 -0.006 0.000 0.909 75 T CB 0.024 68.868 68.868 -0.040 0.000 1.133 75 T HN 0.189 nan 8.240 nan 0.000 0.530 76 L N 1.436 122.608 121.223 -0.085 0.000 2.026 76 L HA -0.130 4.216 4.340 0.010 0.000 0.231 76 L C -0.028 176.641 176.870 -0.334 0.000 1.095 76 L CA 1.904 56.540 54.840 -0.340 0.000 0.810 76 L CB -0.819 40.895 42.059 -0.575 0.000 0.909 76 L HN 0.527 nan 8.230 nan 0.000 0.444 77 Y N -0.224 120.111 120.300 0.058 0.000 2.863 77 Y HA 0.397 4.953 4.550 0.010 0.000 0.348 77 Y C -2.049 173.897 175.900 0.077 0.000 1.028 77 Y CA -3.483 54.636 58.100 0.033 0.000 1.213 77 Y CB -0.161 38.309 38.460 0.017 0.000 1.120 77 Y HN 0.148 nan 8.280 nan 0.000 0.598 78 P HA 0.132 nan 4.420 nan 0.000 0.264 78 P C 1.057 178.417 177.300 0.101 0.000 1.193 78 P CA 1.277 64.434 63.100 0.095 0.000 0.763 78 P CB 0.899 32.626 31.700 0.045 0.000 0.810 79 G N 2.312 111.157 108.800 0.074 0.000 2.217 79 G HA2 -0.277 3.689 3.960 0.010 0.000 0.246 79 G HA3 -0.277 3.689 3.960 0.010 0.000 0.246 79 G C -0.130 174.813 174.900 0.072 0.000 0.990 79 G CA -0.360 44.768 45.100 0.047 0.000 0.627 79 G HN 0.538 nan 8.290 nan 0.000 0.522 80 F N 2.331 122.240 119.950 -0.069 0.000 2.421 80 F HA 0.649 5.181 4.527 0.009 0.000 0.358 80 F C 1.315 177.012 175.800 -0.172 0.000 1.115 80 F CA -0.661 57.249 58.000 -0.150 0.000 1.160 80 F CB 1.470 40.361 39.000 -0.180 0.000 1.123 80 F HN 0.153 nan 8.300 nan 0.000 0.508 81 E N 4.047 123.838 120.200 -0.682 0.000 2.085 81 E HA -0.103 4.253 4.350 0.010 0.000 0.194 81 E C 2.221 178.329 176.600 -0.820 0.000 0.994 81 E CA 1.955 57.972 56.400 -0.638 0.000 0.801 81 E CB -0.502 28.894 29.700 -0.506 0.000 0.743 81 E HN 0.902 nan 8.360 nan 0.000 0.453 82 G N -0.782 107.056 108.800 -1.603 0.000 2.475 82 G HA2 -0.327 3.639 3.960 0.010 0.000 0.220 82 G HA3 -0.327 3.639 3.960 0.010 0.000 0.220 82 G C 1.711 176.557 174.900 -0.090 0.000 1.125 82 G CA 1.763 46.209 45.100 -1.090 0.000 0.755 82 G HN 0.504 nan 8.290 nan 0.000 0.565 83 T N -2.041 112.466 114.554 -0.079 0.000 3.033 83 T HA 0.139 4.495 4.350 0.010 0.000 0.248 83 T C 1.887 176.696 174.700 0.182 0.000 1.040 83 T CA 0.810 63.141 62.100 0.386 0.000 1.133 83 T CB 0.076 69.306 68.868 0.603 0.000 0.895 83 T HN 0.175 nan 8.240 nan 0.000 0.465 84 E N 2.120 122.301 120.200 -0.031 0.000 2.274 84 E HA -0.012 4.344 4.350 0.010 0.000 0.194 84 E C 2.205 178.686 176.600 -0.198 0.000 0.996 84 E CA 0.955 57.305 56.400 -0.083 0.000 0.840 84 E CB -0.416 29.218 29.700 -0.111 0.000 0.772 84 E HN 0.786 nan 8.360 nan 0.000 0.491 85 M N -2.196 117.192 119.600 -0.354 0.000 2.460 85 M HA -0.042 4.444 4.480 0.010 0.000 0.263 85 M C 1.208 177.117 176.300 -0.652 0.000 1.071 85 M CA 1.330 56.287 55.300 -0.573 0.000 1.096 85 M CB -0.467 31.674 32.600 -0.765 0.000 1.408 85 M HN -0.006 nan 8.290 nan 0.000 0.463 86 W N 1.010 122.180 121.300 -0.218 0.000 3.114 86 W HA 0.273 4.938 4.660 0.009 0.000 0.279 86 W C 0.408 176.794 176.519 -0.222 0.000 1.277 86 W CA -0.918 56.281 57.345 -0.243 0.000 1.630 86 W CB -0.201 29.141 29.460 -0.198 0.000 1.087 86 W HN 0.113 nan 8.180 nan 0.000 0.637 87 N N 1.524 120.215 118.700 -0.014 0.000 2.444 87 N HA 0.134 4.880 4.740 0.010 0.000 0.255 87 N C -2.403 173.021 175.510 -0.144 0.000 1.255 87 N CA -1.473 51.536 53.050 -0.069 0.000 0.933 87 N CB -0.278 38.169 38.487 -0.067 0.000 1.143 87 N HN -0.330 nan 8.380 nan 0.000 0.453 88 P HA 0.054 nan 4.420 nan 0.000 0.265 88 P C 0.222 177.414 177.300 -0.180 0.000 1.193 88 P CA 0.064 63.050 63.100 -0.191 0.000 0.765 88 P CB 0.325 31.907 31.700 -0.197 0.000 0.823 89 N N 2.149 120.733 118.700 -0.193 0.000 2.200 89 N HA 0.093 4.839 4.740 0.010 0.000 0.224 89 N C 0.121 175.552 175.510 -0.132 0.000 1.179 89 N CA -0.021 52.929 53.050 -0.167 0.000 0.877 89 N CB 0.438 38.809 38.487 -0.194 0.000 1.072 89 N HN 0.158 nan 8.380 nan 0.000 0.519 90 R N 0.012 120.429 120.500 -0.138 0.000 2.831 90 R HA 0.273 4.619 4.340 0.010 0.000 0.266 90 R C -0.701 175.522 176.300 -0.128 0.000 1.051 90 R CA -0.667 55.367 56.100 -0.110 0.000 0.943 90 R CB 1.002 31.248 30.300 -0.090 0.000 1.228 90 R HN 0.245 nan 8.270 nan 0.000 0.467 91 E N 1.431 121.562 120.200 -0.115 0.000 2.452 91 E HA -0.008 4.348 4.350 0.010 0.000 0.261 91 E C -0.463 176.040 176.600 -0.163 0.000 0.987 91 E CA 0.083 56.408 56.400 -0.126 0.000 0.926 91 E CB 0.521 30.163 29.700 -0.096 0.000 0.934 91 E HN 0.247 nan 8.360 nan 0.000 0.452 92 L N 3.427 124.509 121.223 -0.235 0.000 2.331 92 L HA 0.238 4.584 4.340 0.010 0.000 0.278 92 L C 0.301 177.031 176.870 -0.233 0.000 1.106 92 L CA 0.004 54.623 54.840 -0.368 0.000 0.824 92 L CB 1.158 42.760 42.059 -0.763 0.000 1.142 92 L HN 0.385 nan 8.230 nan 0.000 0.443 93 S N 1.208 116.835 115.700 -0.121 0.000 2.537 93 S HA 0.205 4.681 4.470 0.010 0.000 0.271 93 S C 0.310 174.905 174.600 -0.008 0.000 1.148 93 S CA -0.663 57.549 58.200 0.020 0.000 0.868 93 S CB 1.651 64.850 63.200 -0.003 0.000 1.115 93 S HN 0.749 nan 8.310 nan 0.000 0.461 94 E N 1.033 121.207 120.200 -0.044 0.000 2.268 94 E HA -0.081 4.275 4.350 0.010 0.000 0.195 94 E C -0.237 176.308 176.600 -0.091 0.000 0.995 94 E CA 0.509 56.807 56.400 -0.170 0.000 0.836 94 E CB 0.106 29.666 29.700 -0.234 0.000 0.763 94 E HN 0.535 nan 8.360 nan 0.000 0.491 95 D N 0.467 120.849 120.400 -0.029 0.000 2.470 95 D HA -0.016 4.630 4.640 0.010 0.000 0.226 95 D C 0.041 176.423 176.300 0.135 0.000 1.196 95 D CA -0.160 53.854 54.000 0.022 0.000 0.979 95 D CB -0.052 40.783 40.800 0.059 0.000 1.059 95 D HN 0.146 nan 8.370 nan 0.000 0.515 96 c N 2.435 121.075 118.600 0.066 0.000 3.865 96 c HA 0.368 4.944 4.570 0.010 0.000 0.297 96 c C 0.636 174.793 174.090 0.112 0.000 1.758 96 c CA -0.663 55.772 56.329 0.177 0.000 1.778 96 c CB -1.173 41.375 42.510 0.064 0.000 3.158 96 c HN 0.423 nan 8.230 nan 0.000 0.598 97 L N 2.511 123.538 121.223 -0.326 0.000 2.399 97 L HA 0.410 4.756 4.340 0.010 0.000 0.257 97 L C -0.936 175.361 176.870 -0.955 0.000 1.236 97 L CA 0.462 54.927 54.840 -0.625 0.000 1.144 97 L CB -0.675 40.880 42.059 -0.840 0.000 1.379 97 L HN 0.388 nan 8.230 nan 0.000 0.414 98 Y N 1.682 121.999 120.300 0.028 0.000 2.570 98 Y HA 0.654 5.210 4.550 0.010 0.000 0.345 98 Y C -0.001 176.089 175.900 0.316 0.000 1.014 98 Y CA -1.164 57.015 58.100 0.132 0.000 1.063 98 Y CB 2.023 40.502 38.460 0.032 0.000 1.272 98 Y HN 0.195 nan 8.280 nan 0.000 0.477 99 L N -0.274 121.123 121.223 0.290 0.000 2.303 99 L HA 0.784 5.130 4.340 0.010 0.000 0.256 99 L C -1.285 175.582 176.870 -0.006 0.000 1.034 99 L CA -1.119 53.765 54.840 0.072 0.000 0.832 99 L CB 1.717 43.630 42.059 -0.244 0.000 1.403 99 L HN 0.450 nan 8.230 nan 0.000 0.419 100 N N -0.101 118.590 118.700 -0.015 0.000 2.238 100 N HA 0.740 5.486 4.740 0.010 0.000 0.302 100 N C -1.531 173.873 175.510 -0.177 0.000 1.072 100 N CA -0.405 52.557 53.050 -0.146 0.000 0.792 100 N CB 2.886 41.305 38.487 -0.112 0.000 1.425 100 N HN 0.500 nan 8.380 nan 0.000 0.478 101 V N 1.341 121.081 119.914 -0.291 0.000 2.638 101 V HA 0.497 4.623 4.120 0.010 0.000 0.306 101 V C -0.889 175.132 176.094 -0.120 0.000 1.052 101 V CA -0.771 61.453 62.300 -0.126 0.000 0.885 101 V CB 2.458 34.098 31.823 -0.305 0.000 0.999 101 V HN 0.551 nan 8.190 nan 0.000 0.424 102 W N 2.715 124.107 121.300 0.152 0.000 2.702 102 W HA 0.703 5.370 4.660 0.011 0.000 0.331 102 W C 0.041 176.666 176.519 0.175 0.000 1.049 102 W CA -0.419 57.019 57.345 0.156 0.000 1.230 102 W CB 2.502 32.033 29.460 0.118 0.000 1.408 102 W HN 0.684 nan 8.180 nan 0.000 0.492 103 T N 0.056 114.861 114.554 0.418 0.000 2.864 103 T HA 0.517 4.873 4.350 0.010 0.000 0.299 103 T C -2.857 172.012 174.700 0.281 0.000 1.166 103 T CA -2.360 59.938 62.100 0.330 0.000 1.007 103 T CB 2.209 71.292 68.868 0.358 0.000 1.219 103 T HN -0.105 nan 8.240 nan 0.000 0.506 104 P HA 0.146 nan 4.420 nan 0.000 0.269 104 P C -1.541 175.903 177.300 0.240 0.000 1.205 104 P CA 0.018 63.234 63.100 0.193 0.000 0.780 104 P CB 0.068 31.851 31.700 0.138 0.000 0.858 105 Y N 2.096 122.447 120.300 0.084 0.000 2.326 105 Y HA 0.429 4.984 4.550 0.010 0.000 0.329 105 Y C -2.307 173.624 175.900 0.052 0.000 0.973 105 Y CA -2.486 55.656 58.100 0.070 0.000 1.162 105 Y CB 1.009 39.498 38.460 0.048 0.000 1.147 105 Y HN 0.338 nan 8.280 nan 0.000 0.456 106 P HA 0.242 nan 4.420 nan 0.000 0.272 106 P C -0.870 176.391 177.300 -0.065 0.000 1.240 106 P CA -0.408 62.507 63.100 -0.307 0.000 0.791 106 P CB 0.744 32.288 31.700 -0.259 0.000 0.978 107 R N 1.636 122.111 120.500 -0.041 0.000 2.583 107 R HA 0.076 4.422 4.340 0.010 0.000 0.274 107 R C -1.733 174.592 176.300 0.042 0.000 0.998 107 R CA -0.796 55.342 56.100 0.063 0.000 1.081 107 R CB -0.866 29.483 30.300 0.082 0.000 0.940 107 R HN 0.470 nan 8.270 nan 0.000 0.413 108 P HA -0.059 nan 4.420 nan 0.000 0.268 108 P C -0.070 177.248 177.300 0.030 0.000 1.208 108 P CA 0.150 63.281 63.100 0.052 0.000 0.777 108 P CB 0.676 32.417 31.700 0.068 0.000 0.875 109 A N 2.660 125.492 122.820 0.020 0.000 1.854 109 A HA -0.010 4.315 4.320 0.010 0.000 0.214 109 A C 1.173 178.763 177.584 0.009 0.000 1.192 109 A CA 1.655 53.697 52.037 0.009 0.000 0.611 109 A CB -1.106 17.897 19.000 0.006 0.000 0.832 109 A HN 0.711 nan 8.150 nan 0.000 0.442 110 S N -0.551 115.156 115.700 0.013 0.000 2.690 110 S HA 0.604 5.080 4.470 0.010 0.000 0.291 110 S C -3.062 171.549 174.600 0.018 0.000 1.138 110 S CA -1.779 56.427 58.200 0.010 0.000 1.013 110 S CB 0.853 64.056 63.200 0.006 0.000 1.053 110 S HN 0.087 nan 8.310 nan 0.000 0.539 111 P HA 0.239 nan 4.420 nan 0.000 0.266 111 P C -0.687 176.628 177.300 0.026 0.000 1.215 111 P CA 0.104 63.218 63.100 0.023 0.000 0.763 111 P CB 0.118 31.824 31.700 0.011 0.000 0.806 112 T N 5.658 120.240 114.554 0.046 0.000 2.829 112 T HA 0.386 4.742 4.350 0.010 0.000 0.282 112 T C -2.358 172.372 174.700 0.050 0.000 0.990 112 T CA -1.776 60.352 62.100 0.047 0.000 1.028 112 T CB 0.607 69.515 68.868 0.066 0.000 0.951 112 T HN 0.167 nan 8.240 nan 0.000 0.460 113 P HA 0.123 nan 4.420 nan 0.000 0.265 113 P C -0.972 176.366 177.300 0.064 0.000 1.187 113 P CA -0.177 62.943 63.100 0.032 0.000 0.766 113 P CB 0.378 32.079 31.700 0.002 0.000 0.820 114 V N 5.173 125.141 119.914 0.089 0.000 2.384 114 V HA 0.293 4.419 4.120 0.010 0.000 0.287 114 V C 0.257 176.433 176.094 0.137 0.000 1.020 114 V CA -0.477 61.899 62.300 0.127 0.000 0.850 114 V CB 1.108 33.020 31.823 0.148 0.000 0.987 114 V HN 0.343 nan 8.190 nan 0.000 0.436 115 L N 6.065 127.378 121.223 0.149 0.000 2.289 115 L HA 0.591 4.937 4.340 0.010 0.000 0.285 115 L C -0.419 176.677 176.870 0.377 0.000 1.049 115 L CA -0.169 54.783 54.840 0.188 0.000 0.804 115 L CB 1.423 43.483 42.059 0.001 0.000 1.195 115 L HN 0.470 nan 8.230 nan 0.000 0.428 116 I N 2.556 123.391 120.570 0.442 0.000 2.382 116 I HA 0.225 4.401 4.170 0.010 0.000 0.286 116 I C -0.706 175.700 176.117 0.483 0.000 1.002 116 I CA -0.436 61.103 61.300 0.399 0.000 1.135 116 I CB 1.372 39.484 38.000 0.185 0.000 1.288 116 I HN 0.649 nan 8.210 nan 0.000 0.448 117 W N 8.356 129.765 121.300 0.183 0.000 2.365 117 W HA 0.589 5.254 4.660 0.009 0.000 0.316 117 W C -1.542 174.883 176.519 -0.157 0.000 1.164 117 W CA -0.634 56.596 57.345 -0.191 0.000 1.204 117 W CB 1.266 30.628 29.460 -0.164 0.000 1.213 117 W HN 0.349 nan 8.180 nan 0.000 0.539 118 I N 8.801 128.767 120.570 -1.007 0.000 2.411 118 I HA 0.068 4.243 4.170 0.010 0.000 0.284 118 I C -0.285 175.053 176.117 -1.298 0.000 1.012 118 I CA -1.113 59.646 61.300 -0.902 0.000 1.119 118 I CB 0.768 38.393 38.000 -0.625 0.000 1.261 118 I HN 0.315 nan 8.210 nan 0.000 0.448 119 Y N 4.592 124.420 120.300 -0.787 0.000 2.511 119 Y HA 0.614 5.170 4.550 0.010 0.000 0.347 119 Y C 0.796 176.511 175.900 -0.307 0.000 1.257 119 Y CA -0.649 57.100 58.100 -0.585 0.000 1.469 119 Y CB -0.055 38.299 38.460 -0.177 0.000 1.353 119 Y HN 0.527 nan 8.280 nan 0.000 0.617 120 G N -0.797 107.996 108.800 -0.011 0.000 2.583 120 G HA2 0.490 4.456 3.960 0.010 0.000 0.280 120 G HA3 0.490 4.456 3.960 0.010 0.000 0.280 120 G C 0.287 175.169 174.900 -0.031 0.000 1.376 120 G CA -0.925 44.123 45.100 -0.085 0.000 1.043 120 G HN 1.740 nan 8.290 nan 0.000 0.538 121 G N -2.818 105.828 108.800 -0.258 0.000 2.192 121 G HA2 0.405 4.371 3.960 0.010 0.000 0.152 121 G HA3 0.405 4.371 3.960 0.010 0.000 0.152 121 G C 1.020 175.577 174.900 -0.573 0.000 1.057 121 G CA 0.688 45.546 45.100 -0.404 0.000 0.748 121 G HN 2.337 nan 8.290 nan 0.000 0.488 122 G N -0.497 107.888 108.800 -0.692 0.000 2.203 122 G HA2 -0.120 3.846 3.960 0.010 0.000 0.263 122 G HA3 -0.120 3.846 3.960 0.010 0.000 0.263 122 G C 0.886 175.605 174.900 -0.301 0.000 1.012 122 G CA 0.687 45.069 45.100 -1.197 0.000 0.749 122 G HN 1.770 nan 8.290 nan 0.000 0.512 123 F N -3.107 116.785 119.950 -0.096 0.000 3.021 123 F HA -0.325 4.208 4.527 0.010 0.000 0.294 123 F C 1.449 177.434 175.800 0.308 0.000 0.761 123 F CA 2.313 60.377 58.000 0.106 0.000 1.102 123 F CB -2.015 36.896 39.000 -0.148 0.000 1.380 123 F HN 0.955 nan 8.300 nan 0.000 0.387 124 Y N -1.418 119.034 120.300 0.253 0.000 2.471 124 Y HA 0.614 5.169 4.550 0.010 0.000 0.249 124 Y C 0.566 176.604 175.900 0.231 0.000 1.116 124 Y CA 0.405 58.688 58.100 0.306 0.000 1.240 124 Y CB 0.082 38.723 38.460 0.302 0.000 1.251 124 Y HN 0.041 nan 8.280 nan 0.000 0.527 125 S N -0.578 114.855 115.700 -0.445 0.000 2.705 125 S HA 0.914 5.390 4.470 0.010 0.000 0.280 125 S C -0.140 174.290 174.600 -0.284 0.000 1.174 125 S CA -0.562 57.389 58.200 -0.414 0.000 0.823 125 S CB 1.569 64.349 63.200 -0.700 0.000 1.162 125 S HN 1.304 nan 8.310 nan 0.000 0.487 126 G N -0.819 107.761 108.800 -0.368 0.000 2.406 126 G HA2 0.544 4.510 3.960 0.010 0.000 0.680 126 G HA3 0.544 4.510 3.960 0.010 0.000 0.680 126 G C -0.794 173.424 174.900 -1.137 0.000 1.338 126 G CA -0.151 44.562 45.100 -0.645 0.000 0.941 126 G HN 2.110 nan 8.290 nan 0.000 0.633 127 A N -1.017 121.023 122.820 -1.300 0.000 2.577 127 A HA 0.993 5.319 4.320 0.010 0.000 0.297 127 A C 0.558 177.924 177.584 -0.362 0.000 1.060 127 A CA 0.549 52.083 52.037 -0.839 0.000 0.697 127 A CB 1.061 19.814 19.000 -0.412 0.000 1.281 127 A HN 2.576 nan 8.150 nan 0.000 0.402 128 A N 0.577 123.414 122.820 0.029 0.000 2.238 128 A HA 0.272 4.598 4.320 0.010 0.000 0.208 128 A C 1.614 179.231 177.584 0.055 0.000 1.177 128 A CA 1.677 53.909 52.037 0.325 0.000 0.804 128 A CB -0.506 18.754 19.000 0.434 0.000 0.823 128 A HN 1.780 nan 8.150 nan 0.000 0.482 129 S N -0.646 114.842 115.700 -0.352 0.000 2.556 129 S HA 0.351 4.827 4.470 0.010 0.000 0.216 129 S C 0.466 174.601 174.600 -0.774 0.000 0.970 129 S CA -0.489 57.026 58.200 -1.143 0.000 0.912 129 S CB -0.535 61.940 63.200 -1.208 0.000 0.790 129 S HN 0.366 nan 8.310 nan 0.000 0.504 130 L N 2.065 123.007 121.223 -0.467 0.000 2.483 130 L HA 0.176 4.522 4.340 0.010 0.000 0.275 130 L C 1.200 177.757 176.870 -0.522 0.000 1.220 130 L CA -0.430 54.092 54.840 -0.531 0.000 0.833 130 L CB 0.173 41.792 42.059 -0.734 0.000 1.102 130 L HN 0.061 nan 8.230 nan 0.000 0.490 131 D N 0.773 120.900 120.400 -0.455 0.000 2.182 131 D HA -0.136 4.510 4.640 0.010 0.000 0.201 131 D C 1.968 177.997 176.300 -0.453 0.000 0.986 131 D CA 1.198 54.990 54.000 -0.348 0.000 0.847 131 D CB 0.004 40.630 40.800 -0.290 0.000 0.942 131 D HN 0.513 nan 8.370 nan 0.000 0.467 132 V N -1.431 118.058 119.914 -0.708 0.000 2.970 132 V HA -0.151 3.975 4.120 0.010 0.000 0.260 132 V C 1.133 176.672 176.094 -0.925 0.000 1.100 132 V CA 1.032 62.878 62.300 -0.755 0.000 1.122 132 V CB -1.085 30.227 31.823 -0.853 0.000 0.721 132 V HN 0.073 nan 8.190 nan 0.000 0.483 133 Y N 0.345 120.102 120.300 -0.904 0.000 2.571 133 Y HA 0.448 5.003 4.550 0.009 0.000 0.275 133 Y C 0.792 176.120 175.900 -0.954 0.000 1.179 133 Y CA -1.919 55.287 58.100 -1.491 0.000 1.242 133 Y CB -0.885 37.060 38.460 -0.858 0.000 1.126 133 Y HN 0.254 nan 8.280 nan 0.000 0.524 134 D N 0.687 120.807 120.400 -0.467 0.000 2.382 134 D HA 0.072 4.718 4.640 0.010 0.000 0.259 134 D C 1.405 177.380 176.300 -0.541 0.000 1.224 134 D CA 0.378 54.166 54.000 -0.355 0.000 0.894 134 D CB 1.259 41.988 40.800 -0.118 0.000 1.127 134 D HN 0.440 nan 8.370 nan 0.000 0.487 135 G N 3.887 111.748 108.800 -1.565 0.000 2.920 135 G HA2 -0.158 3.808 3.960 0.010 0.000 0.208 135 G HA3 -0.158 3.808 3.960 0.010 0.000 0.208 135 G C 1.441 175.741 174.900 -0.999 0.000 1.159 135 G CA 0.205 44.533 45.100 -1.287 0.000 0.784 135 G HN 0.620 nan 8.290 nan 0.000 0.535 136 R N -0.695 119.204 120.500 -1.001 0.000 2.115 136 R HA 0.037 4.383 4.340 0.010 0.000 0.230 136 R C 1.618 177.648 176.300 -0.449 0.000 1.111 136 R CA 1.125 56.870 56.100 -0.591 0.000 0.976 136 R CB -0.597 29.370 30.300 -0.556 0.000 0.870 136 R HN 0.322 nan 8.270 nan 0.000 0.445 137 F N 1.273 121.125 119.950 -0.163 0.000 2.234 137 F HA 0.112 4.646 4.527 0.010 0.000 0.296 137 F C 2.157 177.894 175.800 -0.105 0.000 1.089 137 F CA 0.567 58.498 58.000 -0.115 0.000 1.343 137 F CB -0.358 38.564 39.000 -0.129 0.000 1.040 137 F HN -0.133 nan 8.300 nan 0.000 0.498 138 L N -0.197 121.048 121.223 0.037 0.000 2.141 138 L HA -0.133 4.213 4.340 0.010 0.000 0.209 138 L C 2.677 179.549 176.870 0.003 0.000 1.094 138 L CA 1.012 55.838 54.840 -0.024 0.000 0.763 138 L CB -0.816 41.181 42.059 -0.102 0.000 0.908 138 L HN 0.167 nan 8.230 nan 0.000 0.437 139 A N -0.978 121.846 122.820 0.007 0.000 1.898 139 A HA -0.218 4.108 4.320 0.010 0.000 0.216 139 A C 2.286 179.911 177.584 0.068 0.000 1.181 139 A CA 1.404 53.484 52.037 0.072 0.000 0.620 139 A CB -0.395 18.689 19.000 0.139 0.000 0.819 139 A HN 0.367 nan 8.150 nan 0.000 0.442 140 Q N -0.189 119.634 119.800 0.039 0.000 2.062 140 Q HA -0.048 4.298 4.340 0.010 0.000 0.196 140 Q C 2.152 178.181 176.000 0.048 0.000 0.967 140 Q CA 1.900 57.731 55.803 0.047 0.000 0.832 140 Q CB -0.184 28.567 28.738 0.022 0.000 0.899 140 Q HN 0.403 nan 8.270 nan 0.000 0.442 141 V N 1.200 121.141 119.914 0.045 0.000 2.535 141 V HA -0.089 4.037 4.120 0.010 0.000 0.246 141 V C 1.653 177.761 176.094 0.022 0.000 1.045 141 V CA 1.434 63.755 62.300 0.034 0.000 1.058 141 V CB -0.085 31.757 31.823 0.032 0.000 0.689 141 V HN 0.224 nan 8.190 nan 0.000 0.461 142 E N -0.326 119.885 120.200 0.019 0.000 2.498 142 E HA 0.217 4.572 4.350 0.010 0.000 0.203 142 E C 1.680 178.296 176.600 0.026 0.000 1.013 142 E CA 0.732 57.140 56.400 0.013 0.000 0.927 142 E CB 0.677 30.376 29.700 -0.002 0.000 1.012 142 E HN 0.569 nan 8.360 nan 0.000 0.482 143 G N 1.744 110.570 108.800 0.042 0.000 2.153 143 G HA2 -0.310 3.656 3.960 0.010 0.000 0.252 143 G HA3 -0.310 3.656 3.960 0.010 0.000 0.252 143 G C 0.526 175.467 174.900 0.069 0.000 0.994 143 G CA 0.375 45.510 45.100 0.059 0.000 0.698 143 G HN 0.481 nan 8.290 nan 0.000 0.521 144 A N -0.802 122.057 122.820 0.064 0.000 2.351 144 A HA 0.702 5.028 4.320 0.010 0.000 0.257 144 A C 0.499 178.160 177.584 0.128 0.000 1.087 144 A CA 0.185 52.266 52.037 0.074 0.000 0.798 144 A CB 1.133 20.158 19.000 0.040 0.000 1.033 144 A HN 1.134 nan 8.150 nan 0.000 0.488 145 V N 2.771 122.770 119.914 0.142 0.000 2.350 145 V HA 0.383 4.509 4.120 0.010 0.000 0.276 145 V C -0.149 176.075 176.094 0.217 0.000 1.028 145 V CA -0.110 62.306 62.300 0.194 0.000 0.860 145 V CB 0.785 32.713 31.823 0.176 0.000 0.990 145 V HN 0.717 nan 8.190 nan 0.000 0.453 146 L N 6.039 127.445 121.223 0.306 0.000 2.341 146 L HA 0.752 5.097 4.340 0.010 0.000 0.278 146 L C -0.951 176.209 176.870 0.484 0.000 1.005 146 L CA -0.380 54.688 54.840 0.380 0.000 0.818 146 L CB 1.976 44.250 42.059 0.360 0.000 1.259 146 L HN 0.434 nan 8.230 nan 0.000 0.418 147 V N 2.930 123.099 119.914 0.426 0.000 2.588 147 V HA 0.642 4.768 4.120 0.010 0.000 0.304 147 V C -0.436 175.902 176.094 0.406 0.000 1.042 147 V CA -0.492 62.016 62.300 0.347 0.000 0.877 147 V CB 1.959 33.909 31.823 0.212 0.000 0.996 147 V HN 0.832 nan 8.190 nan 0.000 0.425 148 S N 5.417 121.363 115.700 0.411 0.000 2.542 148 S HA 0.901 5.377 4.470 0.010 0.000 0.293 148 S C -0.744 174.003 174.600 0.244 0.000 1.089 148 S CA -0.812 57.628 58.200 0.400 0.000 0.961 148 S CB 2.308 65.869 63.200 0.601 0.000 1.062 148 S HN 0.858 nan 8.310 nan 0.000 0.483 149 M N 1.346 121.055 119.600 0.181 0.000 2.602 149 M HA 0.637 5.123 4.480 0.010 0.000 0.312 149 M C -1.799 174.703 176.300 0.336 0.000 1.181 149 M CA -0.561 54.828 55.300 0.147 0.000 0.910 149 M CB 1.263 33.779 32.600 -0.140 0.000 1.723 149 M HN 0.541 nan 8.290 nan 0.000 0.459 150 N N 2.847 121.805 118.700 0.429 0.000 2.499 150 N HA 0.574 5.320 4.740 0.010 0.000 0.281 150 N C -1.426 174.358 175.510 0.458 0.000 1.098 150 N CA 0.118 53.447 53.050 0.465 0.000 0.979 150 N CB 0.543 39.241 38.487 0.352 0.000 1.121 150 N HN 0.706 nan 8.380 nan 0.000 0.466 151 Y N -1.580 118.884 120.300 0.274 0.000 2.553 151 Y HA 0.573 5.129 4.550 0.010 0.000 0.347 151 Y C -0.102 175.932 175.900 0.223 0.000 1.019 151 Y CA -1.339 56.878 58.100 0.196 0.000 1.032 151 Y CB 0.978 39.488 38.460 0.083 0.000 1.284 151 Y HN 0.195 nan 8.280 nan 0.000 0.466 152 R N 1.897 122.536 120.500 0.232 0.000 2.537 152 R HA 0.504 4.850 4.340 0.010 0.000 0.280 152 R C -0.374 176.073 176.300 0.244 0.000 1.058 152 R CA -0.236 55.958 56.100 0.156 0.000 1.057 152 R CB 0.957 31.323 30.300 0.109 0.000 0.973 152 R HN 0.729 nan 8.270 nan 0.000 0.438 153 V N -0.364 119.739 119.914 0.315 0.000 3.113 153 V HA 0.891 5.017 4.120 0.010 0.000 0.316 153 V C 0.672 177.116 176.094 0.583 0.000 1.125 153 V CA -0.083 62.533 62.300 0.526 0.000 1.026 153 V CB 1.258 33.299 31.823 0.364 0.000 1.080 153 V HN 0.976 nan 8.190 nan 0.000 0.444 154 G N 1.983 111.189 108.800 0.677 0.000 2.564 154 G HA2 -0.277 3.689 3.960 0.010 0.000 0.273 154 G HA3 -0.277 3.689 3.960 0.010 0.000 0.273 154 G C 0.988 176.063 174.900 0.293 0.000 1.242 154 G CA 1.359 46.790 45.100 0.552 0.000 0.951 154 G HN 2.358 nan 8.290 nan 0.000 0.564 155 T N -1.629 112.811 114.554 -0.190 0.000 2.699 155 T HA -0.136 4.220 4.350 0.010 0.000 0.268 155 T C 2.123 176.718 174.700 -0.174 0.000 1.036 155 T CA 2.656 64.410 62.100 -0.576 0.000 1.147 155 T CB -0.422 67.969 68.868 -0.794 0.000 0.862 155 T HN 0.594 nan 8.240 nan 0.000 0.446 156 F N 2.114 122.145 119.950 0.136 0.000 2.234 156 F HA 0.243 4.776 4.527 0.010 0.000 0.299 156 F C 2.781 178.604 175.800 0.038 0.000 1.087 156 F CA 0.742 58.785 58.000 0.070 0.000 1.340 156 F CB -0.903 38.101 39.000 0.006 0.000 1.031 156 F HN 0.364 nan 8.300 nan 0.000 0.500 157 G N -1.932 106.958 108.800 0.151 0.000 2.595 157 G HA2 -0.001 3.965 3.960 0.010 0.000 0.213 157 G HA3 -0.001 3.965 3.960 0.010 0.000 0.213 157 G C 0.888 175.359 174.900 -0.715 0.000 1.141 157 G CA 0.305 45.222 45.100 -0.305 0.000 0.806 157 G HN 0.356 nan 8.290 nan 0.000 0.530 158 F N -0.772 119.291 119.950 0.188 0.000 2.915 158 F HA 0.417 4.950 4.527 0.010 0.000 0.347 158 F C 0.429 176.333 175.800 0.172 0.000 1.104 158 F CA -0.980 57.112 58.000 0.154 0.000 1.126 158 F CB 0.327 39.428 39.000 0.168 0.000 1.145 158 F HN -0.088 nan 8.300 nan 0.000 0.541 159 L N 2.295 123.602 121.223 0.140 0.000 2.462 159 L HA 0.556 4.902 4.340 0.010 0.000 0.272 159 L C -0.102 176.752 176.870 -0.027 0.000 1.166 159 L CA -0.033 54.796 54.840 -0.018 0.000 0.880 159 L CB 0.442 42.196 42.059 -0.508 0.000 1.142 159 L HN 0.124 nan 8.230 nan 0.000 0.473 160 A N 6.326 129.174 122.820 0.046 0.000 2.398 160 A HA 0.632 4.958 4.320 0.010 0.000 0.301 160 A C -1.029 176.546 177.584 -0.016 0.000 1.041 160 A CA -0.591 51.452 52.037 0.009 0.000 0.711 160 A CB 1.267 20.304 19.000 0.062 0.000 1.240 160 A HN 0.726 nan 8.150 nan 0.000 0.420 161 L N 3.677 124.872 121.223 -0.046 0.000 2.417 161 L HA 0.318 4.664 4.340 0.010 0.000 0.258 161 L C -2.380 174.484 176.870 -0.008 0.000 1.088 161 L CA -1.689 53.133 54.840 -0.031 0.000 0.975 161 L CB 1.050 43.078 42.059 -0.052 0.000 1.341 161 L HN 0.397 nan 8.230 nan 0.000 0.431 162 P HA 0.099 nan 4.420 nan 0.000 0.265 162 P C 0.997 178.304 177.300 0.011 0.000 1.193 162 P CA 0.669 63.777 63.100 0.013 0.000 0.765 162 P CB 1.036 32.744 31.700 0.014 0.000 0.823 163 G N 1.741 110.552 108.800 0.018 0.000 2.254 163 G HA2 -0.236 3.730 3.960 0.010 0.000 0.225 163 G HA3 -0.236 3.730 3.960 0.010 0.000 0.225 163 G C 0.409 175.319 174.900 0.016 0.000 1.003 163 G CA 0.224 45.334 45.100 0.016 0.000 0.622 163 G HN 0.807 nan 8.290 nan 0.000 0.507 164 S N -0.023 115.685 115.700 0.014 0.000 2.603 164 S HA 0.600 5.076 4.470 0.010 0.000 0.268 164 S C 1.188 175.803 174.600 0.025 0.000 1.317 164 S CA 0.494 58.703 58.200 0.015 0.000 1.012 164 S CB 1.998 65.201 63.200 0.005 0.000 0.926 164 S HN 0.482 nan 8.310 nan 0.000 0.539 165 R N 0.317 120.834 120.500 0.028 0.000 2.093 165 R HA 0.001 4.347 4.340 0.010 0.000 0.224 165 R C 1.293 177.622 176.300 0.047 0.000 1.101 165 R CA 1.394 57.516 56.100 0.036 0.000 0.979 165 R CB -0.150 30.169 30.300 0.033 0.000 0.877 165 R HN 0.828 nan 8.270 nan 0.000 0.441 166 E N -1.212 119.016 120.200 0.048 0.000 2.452 166 E HA 0.147 4.503 4.350 0.010 0.000 0.197 166 E C -0.324 176.334 176.600 0.097 0.000 1.022 166 E CA 0.434 56.877 56.400 0.073 0.000 0.890 166 E CB 1.396 31.137 29.700 0.068 0.000 0.918 166 E HN 0.225 nan 8.360 nan 0.000 0.496 167 A N 1.139 123.988 122.820 0.048 0.000 3.422 167 A HA 0.268 4.594 4.320 0.010 0.000 0.271 167 A C -2.221 175.374 177.584 0.017 0.000 1.104 167 A CA -0.873 51.179 52.037 0.025 0.000 0.899 167 A CB 0.401 19.326 19.000 -0.125 0.000 1.309 167 A HN -0.086 nan 8.150 nan 0.000 0.580 168 P HA 0.152 nan 4.420 nan 0.000 0.233 168 P C 0.900 178.229 177.300 0.048 0.000 1.167 168 P CA 1.774 64.901 63.100 0.045 0.000 0.770 168 P CB 0.142 31.878 31.700 0.059 0.000 0.837 169 G N 0.698 109.526 108.800 0.047 0.000 2.690 169 G HA2 -0.164 3.802 3.960 0.010 0.000 0.686 169 G HA3 -0.164 3.802 3.960 0.010 0.000 0.686 169 G C -0.131 174.787 174.900 0.031 0.000 1.277 169 G CA -0.337 44.796 45.100 0.055 0.000 0.799 169 G HN 0.115 nan 8.290 nan 0.000 0.613 170 N N -2.267 116.452 118.700 0.032 0.000 2.753 170 N HA -0.279 4.467 4.740 0.010 0.000 0.251 170 N C 1.862 177.262 175.510 -0.183 0.000 1.097 170 N CA 2.332 55.341 53.050 -0.067 0.000 0.786 170 N CB -1.626 36.745 38.487 -0.193 0.000 1.137 170 N HN 1.913 nan 8.380 nan 0.000 0.566 171 V N -2.813 116.992 119.914 -0.181 0.000 2.626 171 V HA 0.034 4.160 4.120 0.010 0.000 0.252 171 V C 2.284 178.278 176.094 -0.167 0.000 1.067 171 V CA 2.203 64.435 62.300 -0.113 0.000 1.081 171 V CB -0.782 31.020 31.823 -0.036 0.000 0.686 171 V HN 0.266 nan 8.190 nan 0.000 0.468 172 G N 0.453 108.973 108.800 -0.467 0.000 2.408 172 G HA2 -0.126 3.839 3.960 0.010 0.000 0.217 172 G HA3 -0.126 3.839 3.960 0.010 0.000 0.217 172 G C 1.544 176.434 174.900 -0.016 0.000 1.150 172 G CA 1.102 46.044 45.100 -0.263 0.000 0.776 172 G HN 0.533 nan 8.290 nan 0.000 0.542 173 L N -0.098 121.066 121.223 -0.098 0.000 2.156 173 L HA 0.088 4.434 4.340 0.010 0.000 0.208 173 L C 2.791 179.690 176.870 0.049 0.000 1.095 173 L CA 0.325 55.070 54.840 -0.159 0.000 0.770 173 L CB -0.256 41.367 42.059 -0.727 0.000 0.914 173 L HN 0.179 nan 8.230 nan 0.000 0.439 174 L N -0.546 120.716 121.223 0.063 0.000 2.141 174 L HA -0.198 4.148 4.340 0.010 0.000 0.209 174 L C 2.113 179.118 176.870 0.225 0.000 1.094 174 L CA 0.823 55.798 54.840 0.225 0.000 0.763 174 L CB -0.566 41.597 42.059 0.174 0.000 0.908 174 L HN 0.296 nan 8.230 nan 0.000 0.437 175 D N -0.070 120.451 120.400 0.200 0.000 2.097 175 D HA -0.191 4.455 4.640 0.010 0.000 0.195 175 D C 2.261 178.732 176.300 0.285 0.000 0.989 175 D CA 1.107 55.299 54.000 0.320 0.000 0.827 175 D CB -0.197 40.808 40.800 0.341 0.000 0.966 175 D HN 0.365 nan 8.370 nan 0.000 0.456 176 Q N 0.206 120.103 119.800 0.161 0.000 2.061 176 Q HA -0.181 4.165 4.340 0.010 0.000 0.204 176 Q C 2.294 178.303 176.000 0.016 0.000 0.984 176 Q CA 1.272 57.089 55.803 0.024 0.000 0.846 176 Q CB -0.119 28.636 28.738 0.028 0.000 0.902 176 Q HN 0.213 nan 8.270 nan 0.000 0.421 177 R N 0.532 121.151 120.500 0.198 0.000 2.081 177 R HA -0.175 4.171 4.340 0.010 0.000 0.235 177 R C 2.206 178.585 176.300 0.132 0.000 1.131 177 R CA 1.043 57.258 56.100 0.192 0.000 0.960 177 R CB -0.237 30.282 30.300 0.364 0.000 0.856 177 R HN 0.220 nan 8.270 nan 0.000 0.436 178 L N 0.813 122.145 121.223 0.182 0.000 2.046 178 L HA -0.038 4.308 4.340 0.010 0.000 0.208 178 L C 2.279 179.230 176.870 0.136 0.000 1.077 178 L CA 2.122 57.097 54.840 0.225 0.000 0.747 178 L CB -0.699 41.578 42.059 0.364 0.000 0.896 178 L HN 0.283 nan 8.230 nan 0.000 0.432 179 A N -0.681 122.033 122.820 -0.177 0.000 1.933 179 A HA -0.138 4.188 4.320 0.010 0.000 0.218 179 A C 2.224 179.768 177.584 -0.066 0.000 1.175 179 A CA 1.749 53.514 52.037 -0.454 0.000 0.628 179 A CB -0.759 17.709 19.000 -0.886 0.000 0.814 179 A HN 0.499 nan 8.150 nan 0.000 0.444 180 L N -1.000 120.198 121.223 -0.042 0.000 2.046 180 L HA -0.255 4.091 4.340 0.010 0.000 0.208 180 L C 2.837 179.768 176.870 0.101 0.000 1.077 180 L CA 1.692 56.543 54.840 0.019 0.000 0.747 180 L CB -0.876 41.157 42.059 -0.043 0.000 0.896 180 L HN 0.498 nan 8.230 nan 0.000 0.432 181 Q N -1.021 118.851 119.800 0.121 0.000 2.124 181 Q HA -0.266 4.080 4.340 0.010 0.000 0.202 181 Q C 2.050 178.154 176.000 0.173 0.000 0.977 181 Q CA 2.012 57.896 55.803 0.134 0.000 0.850 181 Q CB -0.275 28.547 28.738 0.139 0.000 0.901 181 Q HN 0.557 nan 8.270 nan 0.000 0.429 182 W N 0.270 121.593 121.300 0.038 0.000 2.363 182 W HA -0.179 4.487 4.660 0.009 0.000 0.296 182 W C 1.755 178.306 176.519 0.053 0.000 1.212 182 W CA 1.070 58.452 57.345 0.061 0.000 1.260 182 W CB 0.081 29.580 29.460 0.066 0.000 1.131 182 W HN -0.154 nan 8.180 nan 0.000 0.530 183 V N 0.729 120.864 119.914 0.368 0.000 2.358 183 V HA -0.310 3.815 4.120 0.010 0.000 0.246 183 V C 2.525 178.653 176.094 0.056 0.000 1.047 183 V CA 1.860 64.301 62.300 0.234 0.000 1.035 183 V CB -0.968 30.997 31.823 0.237 0.000 0.658 183 V HN 0.148 nan 8.190 nan 0.000 0.452 184 Q N 0.034 119.870 119.800 0.061 0.000 2.077 184 Q HA -0.272 4.074 4.340 0.010 0.000 0.206 184 Q C 2.261 178.240 176.000 -0.035 0.000 0.989 184 Q CA 2.329 58.150 55.803 0.030 0.000 0.853 184 Q CB -0.309 28.454 28.738 0.041 0.000 0.907 184 Q HN 0.839 nan 8.270 nan 0.000 0.418 185 E N -0.509 119.634 120.200 -0.096 0.000 2.170 185 E HA -0.065 4.290 4.350 0.010 0.000 0.191 185 E C 1.176 177.629 176.600 -0.244 0.000 0.981 185 E CA 0.749 57.058 56.400 -0.151 0.000 0.830 185 E CB 0.289 29.898 29.700 -0.150 0.000 0.775 185 E HN 0.273 nan 8.360 nan 0.000 0.470 186 N N -0.135 118.322 118.700 -0.405 0.000 2.317 186 N HA 0.002 4.748 4.740 0.010 0.000 0.199 186 N C 1.499 176.900 175.510 -0.182 0.000 1.145 186 N CA 0.072 52.835 53.050 -0.479 0.000 0.882 186 N CB 0.287 38.101 38.487 -1.121 0.000 1.113 186 N HN 0.127 nan 8.380 nan 0.000 0.486 187 I N 2.442 122.961 120.570 -0.085 0.000 2.423 187 I HA -0.139 4.037 4.170 0.010 0.000 0.254 187 I C 2.123 178.361 176.117 0.202 0.000 1.151 187 I CA 0.611 62.002 61.300 0.151 0.000 1.421 187 I CB -0.153 37.921 38.000 0.122 0.000 1.079 187 I HN 0.058 nan 8.210 nan 0.000 0.431 188 A N 0.204 123.065 122.820 0.069 0.000 2.019 188 A HA -0.081 4.245 4.320 0.010 0.000 0.219 188 A C 2.500 180.082 177.584 -0.003 0.000 1.164 188 A CA 1.389 53.448 52.037 0.036 0.000 0.644 188 A CB -1.054 17.941 19.000 -0.007 0.000 0.805 188 A HN 0.475 nan 8.150 nan 0.000 0.449 189 A N -1.176 121.601 122.820 -0.071 0.000 2.032 189 A HA -0.063 4.263 4.320 0.010 0.000 0.221 189 A C 1.556 178.916 177.584 -0.374 0.000 1.165 189 A CA 1.549 53.425 52.037 -0.269 0.000 0.645 189 A CB -0.674 18.050 19.000 -0.459 0.000 0.807 189 A HN 0.532 nan 8.150 nan 0.000 0.453 190 F N -1.643 118.262 119.950 -0.076 0.000 2.695 190 F HA 0.405 4.938 4.527 0.010 0.000 0.303 190 F C 1.755 177.568 175.800 0.021 0.000 1.091 190 F CA 0.419 58.395 58.000 -0.040 0.000 1.300 190 F CB 0.264 39.255 39.000 -0.016 0.000 1.071 190 F HN 0.328 nan 8.300 nan 0.000 0.578 191 G N 0.271 109.161 108.800 0.150 0.000 2.157 191 G HA2 -0.179 3.787 3.960 0.010 0.000 0.239 191 G HA3 -0.179 3.787 3.960 0.010 0.000 0.239 191 G C 0.643 175.614 174.900 0.118 0.000 0.982 191 G CA -0.253 44.912 45.100 0.108 0.000 0.650 191 G HN 0.723 nan 8.290 nan 0.000 0.527 192 G N -0.541 108.350 108.800 0.152 0.000 2.476 192 G HA2 0.482 4.448 3.960 0.010 0.000 0.286 192 G HA3 0.482 4.448 3.960 0.010 0.000 0.286 192 G C -0.763 174.189 174.900 0.087 0.000 1.177 192 G CA 0.299 45.474 45.100 0.125 0.000 0.870 192 G HN 0.236 nan 8.290 nan 0.000 0.528 193 D N 1.156 121.598 120.400 0.070 0.000 2.412 193 D HA 0.305 4.951 4.640 0.010 0.000 0.224 193 D C -1.234 175.103 176.300 0.061 0.000 1.093 193 D CA -2.406 51.620 54.000 0.044 0.000 0.850 193 D CB 1.978 42.787 40.800 0.015 0.000 1.046 193 D HN 0.033 nan 8.370 nan 0.000 0.507 194 P HA -0.082 nan 4.420 nan 0.000 0.226 194 P C 1.292 178.686 177.300 0.156 0.000 1.153 194 P CA 0.592 63.755 63.100 0.106 0.000 0.777 194 P CB 0.140 31.883 31.700 0.071 0.000 0.794 195 M N -1.128 118.494 119.600 0.038 0.000 2.619 195 M HA 0.062 4.548 4.480 0.010 0.000 0.251 195 M C 0.808 176.822 176.300 -0.477 0.000 1.106 195 M CA 0.840 56.060 55.300 -0.133 0.000 1.086 195 M CB -0.649 31.864 32.600 -0.145 0.000 1.465 195 M HN -0.095 nan 8.290 nan 0.000 0.506 196 S N 0.924 116.538 115.700 -0.144 0.000 2.383 196 S HA 0.470 4.946 4.470 0.010 0.000 0.196 196 S C -1.178 173.503 174.600 0.134 0.000 1.364 196 S CA -0.450 57.692 58.200 -0.097 0.000 1.212 196 S CB 0.563 63.701 63.200 -0.103 0.000 1.171 196 S HN -0.009 nan 8.310 nan 0.000 0.456 197 V N 4.212 124.348 119.914 0.370 0.000 2.443 197 V HA 0.521 4.647 4.120 0.010 0.000 0.293 197 V C -0.103 176.166 176.094 0.291 0.000 1.021 197 V CA -0.460 62.018 62.300 0.297 0.000 0.848 197 V CB 1.950 33.948 31.823 0.291 0.000 0.998 197 V HN 0.740 nan 8.190 nan 0.000 0.424 198 T N 6.634 121.313 114.554 0.209 0.000 2.771 198 T HA 0.600 4.956 4.350 0.010 0.000 0.281 198 T C -0.164 174.671 174.700 0.225 0.000 0.982 198 T CA -0.298 61.927 62.100 0.210 0.000 0.978 198 T CB 0.838 69.782 68.868 0.127 0.000 0.930 198 T HN 0.337 nan 8.240 nan 0.000 0.447 199 L N 4.831 126.154 121.223 0.167 0.000 2.350 199 L HA 0.679 5.025 4.340 0.010 0.000 0.275 199 L C -0.393 176.674 176.870 0.329 0.000 1.099 199 L CA -0.771 54.135 54.840 0.111 0.000 0.808 199 L CB 0.393 42.293 42.059 -0.265 0.000 1.149 199 L HN 0.637 nan 8.230 nan 0.000 0.442 200 F N 0.420 120.427 119.950 0.095 0.000 2.619 200 F HA 0.932 5.465 4.527 0.009 0.000 0.308 200 F C -0.412 175.389 175.800 0.001 0.000 1.097 200 F CA -1.247 56.859 58.000 0.177 0.000 0.953 200 F CB 1.500 40.742 39.000 0.404 0.000 1.287 200 F HN 0.471 nan 8.300 nan 0.000 0.446 201 G N 1.285 109.964 108.800 -0.202 0.000 2.623 201 G HA2 0.525 4.491 3.960 0.010 0.000 0.290 201 G HA3 0.525 4.491 3.960 0.010 0.000 0.290 201 G C -2.532 172.146 174.900 -0.370 0.000 1.437 201 G CA -0.773 43.833 45.100 -0.824 0.000 0.798 201 G HN 0.877 nan 8.290 nan 0.000 0.488 202 E N 0.099 120.027 120.200 -0.454 0.000 2.340 202 E HA 0.634 4.990 4.350 0.010 0.000 0.273 202 E C 0.502 177.047 176.600 -0.090 0.000 0.891 202 E CA 0.222 56.585 56.400 -0.063 0.000 0.757 202 E CB 2.262 32.071 29.700 0.182 0.000 1.231 202 E HN 0.903 nan 8.360 nan 0.000 0.439 203 S N 2.263 117.991 115.700 0.047 0.000 4.059 203 S HA -0.381 4.095 4.470 0.010 0.000 0.624 203 S C 1.432 176.134 174.600 0.170 0.000 2.019 203 S CA 2.112 60.422 58.200 0.184 0.000 4.197 203 S CB -1.596 61.664 63.200 0.100 0.000 0.215 203 S HN 1.047 nan 8.310 nan 0.000 0.609 204 A N 1.026 123.825 122.820 -0.034 0.000 2.076 204 A HA 0.137 4.463 4.320 0.010 0.000 0.220 204 A C 2.417 179.746 177.584 -0.425 0.000 1.160 204 A CA 2.434 54.263 52.037 -0.347 0.000 0.653 204 A CB -1.548 16.817 19.000 -1.057 0.000 0.801 204 A HN 1.555 nan 8.150 nan 0.000 0.455 205 G N -0.426 108.176 108.800 -0.329 0.000 2.421 205 G HA2 -0.002 3.964 3.960 0.010 0.000 0.216 205 G HA3 -0.002 3.964 3.960 0.010 0.000 0.216 205 G C 1.740 176.463 174.900 -0.295 0.000 1.171 205 G CA 1.301 46.151 45.100 -0.418 0.000 0.775 205 G HN 0.775 nan 8.290 nan 0.000 0.543 206 A N 1.086 123.809 122.820 -0.162 0.000 1.930 206 A HA 0.311 4.637 4.320 0.010 0.000 0.217 206 A C 2.784 180.348 177.584 -0.033 0.000 1.175 206 A CA 2.152 54.155 52.037 -0.057 0.000 0.627 206 A CB -0.697 18.330 19.000 0.044 0.000 0.815 206 A HN 0.765 nan 8.150 nan 0.000 0.443 207 A N -0.678 122.142 122.820 0.000 0.000 1.969 207 A HA -0.022 4.304 4.320 0.010 0.000 0.218 207 A C 2.415 180.005 177.584 0.010 0.000 1.169 207 A CA 1.903 53.934 52.037 -0.011 0.000 0.635 207 A CB -0.727 18.273 19.000 0.000 0.000 0.810 207 A HN 0.433 nan 8.150 nan 0.000 0.445 208 S N -0.383 115.314 115.700 -0.004 0.000 2.356 208 S HA -0.137 4.339 4.470 0.010 0.000 0.223 208 S C 1.915 176.505 174.600 -0.018 0.000 1.032 208 S CA 1.424 59.603 58.200 -0.035 0.000 1.005 208 S CB -0.490 62.618 63.200 -0.153 0.000 0.867 208 S HN 0.345 nan 8.310 nan 0.000 0.449 209 V N 1.681 121.577 119.914 -0.030 0.000 2.332 209 V HA -0.201 3.924 4.120 0.010 0.000 0.248 209 V C 2.587 178.685 176.094 0.006 0.000 1.055 209 V CA 2.044 64.329 62.300 -0.026 0.000 1.038 209 V CB -1.459 30.316 31.823 -0.080 0.000 0.651 209 V HN 0.606 nan 8.190 nan 0.000 0.450 210 G N -1.213 107.583 108.800 -0.007 0.000 2.422 210 G HA2 -0.265 3.701 3.960 0.010 0.000 0.218 210 G HA3 -0.265 3.701 3.960 0.010 0.000 0.218 210 G C 1.625 176.545 174.900 0.034 0.000 1.146 210 G CA 0.983 46.083 45.100 -0.000 0.000 0.769 210 G HN 0.438 nan 8.290 nan 0.000 0.547 211 M N -0.119 119.485 119.600 0.007 0.000 2.159 211 M HA -0.016 4.470 4.480 0.010 0.000 0.263 211 M C 2.347 178.707 176.300 0.100 0.000 1.063 211 M CA 0.959 56.285 55.300 0.042 0.000 1.110 211 M CB -0.257 32.331 32.600 -0.020 0.000 1.374 211 M HN 0.225 nan 8.290 nan 0.000 0.411 212 H N -0.192 118.994 119.070 0.193 0.000 2.389 212 H HA -0.046 4.516 4.556 0.009 0.000 0.299 212 H C 2.121 177.654 175.328 0.342 0.000 1.081 212 H CA 1.500 57.675 56.048 0.212 0.000 1.345 212 H CB -0.387 29.378 29.762 0.005 0.000 1.393 212 H HN 0.420 nan 8.280 nan 0.000 0.520 213 I N 0.700 121.520 120.570 0.416 0.000 2.361 213 I HA -0.236 3.940 4.170 0.010 0.000 0.251 213 I C 1.846 178.142 176.117 0.299 0.000 1.133 213 I CA 1.058 62.611 61.300 0.422 0.000 1.413 213 I CB -0.065 38.084 38.000 0.248 0.000 1.073 213 I HN 0.116 nan 8.210 nan 0.000 0.424 214 L N -0.944 120.408 121.223 0.216 0.000 2.592 214 L HA 0.132 4.478 4.340 0.010 0.000 0.227 214 L C 0.777 177.702 176.870 0.093 0.000 1.127 214 L CA 0.034 54.982 54.840 0.180 0.000 0.884 214 L CB 0.096 42.239 42.059 0.141 0.000 1.065 214 L HN 0.011 nan 8.230 nan 0.000 0.457 215 S N -0.439 115.288 115.700 0.044 0.000 2.596 215 S HA 0.350 4.826 4.470 0.010 0.000 0.318 215 S C 0.733 175.268 174.600 -0.108 0.000 1.097 215 S CA -0.596 57.522 58.200 -0.137 0.000 1.080 215 S CB 1.529 64.422 63.200 -0.511 0.000 0.991 215 S HN 0.145 nan 8.310 nan 0.000 0.471 216 L N 5.993 127.156 121.223 -0.099 0.000 2.012 216 L HA 0.008 4.354 4.340 0.010 0.000 0.210 216 L C -0.852 175.976 176.870 -0.069 0.000 1.073 216 L CA 1.729 56.529 54.840 -0.067 0.000 0.748 216 L CB -0.781 41.240 42.059 -0.063 0.000 0.891 216 L HN 0.521 nan 8.230 nan 0.000 0.431 217 P HA -0.124 nan 4.420 nan 0.000 0.219 217 P C 1.538 178.831 177.300 -0.011 0.000 1.146 217 P CA 1.267 64.330 63.100 -0.062 0.000 0.808 217 P CB 0.069 31.719 31.700 -0.083 0.000 0.779 218 S N -1.064 114.649 115.700 0.022 0.000 2.461 218 S HA -0.018 4.458 4.470 0.010 0.000 0.228 218 S C 1.826 176.541 174.600 0.190 0.000 1.005 218 S CA 0.556 58.877 58.200 0.203 0.000 0.942 218 S CB -0.381 63.095 63.200 0.460 0.000 0.776 218 S HN 0.065 nan 8.310 nan 0.000 0.514 219 R N 1.949 122.458 120.500 0.014 0.000 2.120 219 R HA 0.021 4.367 4.340 0.010 0.000 0.234 219 R C 2.261 178.337 176.300 -0.375 0.000 1.123 219 R CA 1.317 57.269 56.100 -0.246 0.000 0.975 219 R CB -1.215 28.992 30.300 -0.154 0.000 0.866 219 R HN 0.560 nan 8.270 nan 0.000 0.446 220 S N 0.010 115.596 115.700 -0.189 0.000 2.607 220 S HA 0.074 4.550 4.470 0.010 0.000 0.224 220 S C 1.693 176.187 174.600 -0.176 0.000 0.969 220 S CA 0.306 58.402 58.200 -0.173 0.000 0.927 220 S CB -0.127 63.026 63.200 -0.079 0.000 0.772 220 S HN 0.207 nan 8.310 nan 0.000 0.533 221 L N 0.498 121.648 121.223 -0.121 0.000 2.640 221 L HA 0.480 4.826 4.340 0.010 0.000 0.230 221 L C -0.052 176.848 176.870 0.050 0.000 1.123 221 L CA -0.331 54.511 54.840 0.004 0.000 0.900 221 L CB -0.094 42.030 42.059 0.108 0.000 1.146 221 L HN 0.483 nan 8.230 nan 0.000 0.484 222 F N -4.289 115.461 119.950 -0.332 0.000 2.713 222 F HA 0.452 4.984 4.527 0.009 0.000 0.311 222 F C 0.300 175.749 175.800 -0.584 0.000 1.141 222 F CA -1.003 56.773 58.000 -0.373 0.000 0.939 222 F CB 0.799 39.734 39.000 -0.109 0.000 1.325 222 F HN -0.151 nan 8.300 nan 0.000 0.453 223 H N -0.370 118.756 119.070 0.094 0.000 3.058 223 H HA 0.462 5.024 4.556 0.009 0.000 0.258 223 H C -0.129 175.242 175.328 0.072 0.000 1.015 223 H CA 0.021 56.055 56.048 -0.023 0.000 1.210 223 H CB 0.962 30.712 29.762 -0.020 0.000 1.481 223 H HN 0.452 nan 8.280 nan 0.000 0.492 224 R N 0.060 120.772 120.500 0.353 0.000 2.710 224 R HA 0.687 5.033 4.340 0.010 0.000 0.270 224 R C -1.514 175.047 176.300 0.435 0.000 1.021 224 R CA -0.642 55.635 56.100 0.295 0.000 0.889 224 R CB 2.890 33.188 30.300 -0.004 0.000 1.243 224 R HN 0.138 nan 8.270 nan 0.000 0.464 225 A N 1.301 124.391 122.820 0.449 0.000 2.486 225 A HA 0.693 5.019 4.320 0.010 0.000 0.300 225 A C -1.447 176.281 177.584 0.239 0.000 1.048 225 A CA -0.592 51.630 52.037 0.308 0.000 0.696 225 A CB 1.938 21.077 19.000 0.231 0.000 1.278 225 A HN 0.292 nan 8.150 nan 0.000 0.405 226 V N 2.146 122.165 119.914 0.175 0.000 2.487 226 V HA 0.523 4.649 4.120 0.010 0.000 0.298 226 V C -1.094 175.094 176.094 0.157 0.000 1.028 226 V CA -0.316 62.035 62.300 0.085 0.000 0.860 226 V CB 1.284 33.193 31.823 0.143 0.000 0.991 226 V HN 0.694 nan 8.190 nan 0.000 0.427 227 L N 5.181 126.469 121.223 0.108 0.000 2.316 227 L HA 0.533 4.879 4.340 0.010 0.000 0.280 227 L C -0.072 176.898 176.870 0.168 0.000 1.006 227 L CA 0.016 54.916 54.840 0.099 0.000 0.836 227 L CB 1.617 43.690 42.059 0.024 0.000 1.221 227 L HN 0.625 nan 8.230 nan 0.000 0.418 228 Q N 2.099 122.043 119.800 0.239 0.000 2.372 228 Q HA 0.467 4.813 4.340 0.010 0.000 0.259 228 Q C 0.105 176.239 176.000 0.223 0.000 0.993 228 Q CA -0.529 55.471 55.803 0.329 0.000 0.854 228 Q CB 1.391 30.415 28.738 0.476 0.000 1.231 228 Q HN 0.632 nan 8.270 nan 0.000 0.462 229 S N 0.877 116.696 115.700 0.199 0.000 3.682 229 S HA -0.157 4.319 4.470 0.010 0.000 0.354 229 S C 0.045 174.848 174.600 0.340 0.000 1.034 229 S CA 0.519 58.873 58.200 0.256 0.000 1.084 229 S CB -1.264 62.099 63.200 0.271 0.000 0.903 229 S HN 1.007 nan 8.310 nan 0.000 0.470 230 G N -0.555 108.391 108.800 0.243 0.000 2.519 230 G HA2 0.679 4.645 3.960 0.010 0.000 0.292 230 G HA3 0.679 4.645 3.960 0.010 0.000 0.292 230 G C -0.931 174.033 174.900 0.106 0.000 1.507 230 G CA 0.267 45.553 45.100 0.310 0.000 0.806 230 G HN 1.099 nan 8.290 nan 0.000 0.523 231 T N -1.686 112.863 114.554 -0.009 0.000 2.840 231 T HA 0.730 5.086 4.350 0.010 0.000 0.317 231 T C -2.425 172.122 174.700 -0.256 0.000 1.401 231 T CA -1.069 60.953 62.100 -0.130 0.000 1.028 231 T CB 2.909 71.690 68.868 -0.146 0.000 1.317 231 T HN 0.322 nan 8.240 nan 0.000 0.495 232 P HA -0.004 nan 4.420 nan 0.000 0.220 232 P C 0.297 177.445 177.300 -0.252 0.000 1.152 232 P CA 0.636 63.616 63.100 -0.200 0.000 0.812 232 P CB -0.107 31.532 31.700 -0.101 0.000 0.792 233 N N 0.772 119.339 118.700 -0.221 0.000 2.347 233 N HA 0.280 5.026 4.740 0.010 0.000 0.253 233 N C 0.815 176.126 175.510 -0.332 0.000 1.274 233 N CA 0.702 53.621 53.050 -0.218 0.000 0.941 233 N CB -0.066 38.334 38.487 -0.144 0.000 1.200 233 N HN 0.228 nan 8.380 nan 0.000 0.514 234 G N -0.942 107.681 108.800 -0.294 0.000 2.603 234 G HA2 -0.119 3.847 3.960 0.010 0.000 0.686 234 G HA3 -0.119 3.847 3.960 0.010 0.000 0.686 234 G C -2.291 172.374 174.900 -0.391 0.000 1.286 234 G CA -0.234 44.643 45.100 -0.371 0.000 0.871 234 G HN 0.541 nan 8.290 nan 0.000 0.568 235 P HA 0.120 nan 4.420 nan 0.000 0.236 235 P C 1.431 178.669 177.300 -0.103 0.000 1.177 235 P CA 1.932 64.897 63.100 -0.226 0.000 0.773 235 P CB -0.055 31.472 31.700 -0.288 0.000 0.878 236 W N -1.746 119.461 121.300 -0.156 0.000 2.873 236 W HA 0.555 5.220 4.660 0.009 0.000 0.282 236 W C 1.059 177.651 176.519 0.122 0.000 1.118 236 W CA 0.434 57.768 57.345 -0.019 0.000 1.480 236 W CB -0.715 28.770 29.460 0.041 0.000 0.954 236 W HN -0.175 nan 8.180 nan 0.000 0.591 237 A N 1.981 124.537 122.820 -0.441 0.000 2.119 237 A HA 0.139 4.465 4.320 0.010 0.000 0.216 237 A C 1.150 178.606 177.584 -0.213 0.000 1.152 237 A CA 1.788 53.623 52.037 -0.337 0.000 0.708 237 A CB -0.777 17.767 19.000 -0.760 0.000 0.805 237 A HN 0.253 nan 8.150 nan 0.000 0.460 238 T N -3.341 111.098 114.554 -0.192 0.000 2.865 238 T HA 0.632 4.988 4.350 0.010 0.000 0.294 238 T C -0.642 173.994 174.700 -0.107 0.000 1.119 238 T CA -0.118 61.881 62.100 -0.169 0.000 1.007 238 T CB 1.430 70.204 68.868 -0.156 0.000 1.225 238 T HN 0.915 nan 8.240 nan 0.000 0.515 239 V N -1.352 118.504 119.914 -0.096 0.000 3.007 239 V HA 0.884 5.010 4.120 0.010 0.000 0.311 239 V C 0.202 176.262 176.094 -0.056 0.000 1.120 239 V CA -0.874 61.384 62.300 -0.071 0.000 0.980 239 V CB 1.364 33.144 31.823 -0.071 0.000 1.033 239 V HN 1.383 nan 8.190 nan 0.000 0.429 240 S N 2.058 117.729 115.700 -0.047 0.000 2.589 240 S HA 0.558 5.034 4.470 0.010 0.000 0.265 240 S C 1.468 176.052 174.600 -0.025 0.000 1.342 240 S CA 0.116 58.296 58.200 -0.034 0.000 1.005 240 S CB 1.174 64.355 63.200 -0.032 0.000 0.909 240 S HN 2.009 nan 8.310 nan 0.000 0.555 241 A N 2.322 125.134 122.820 -0.015 0.000 1.892 241 A HA 0.045 4.371 4.320 0.010 0.000 0.218 241 A C 2.262 179.839 177.584 -0.011 0.000 1.188 241 A CA 1.958 53.991 52.037 -0.007 0.000 0.631 241 A CB -1.918 17.081 19.000 -0.001 0.000 0.822 241 A HN 1.196 nan 8.150 nan 0.000 0.447 242 G N -0.668 108.122 108.800 -0.017 0.000 2.440 242 G HA2 -0.255 3.711 3.960 0.010 0.000 0.218 242 G HA3 -0.255 3.711 3.960 0.010 0.000 0.218 242 G C 1.488 176.373 174.900 -0.026 0.000 1.154 242 G CA 1.458 46.546 45.100 -0.019 0.000 0.767 242 G HN 0.576 nan 8.290 nan 0.000 0.552 243 E N 0.948 121.128 120.200 -0.034 0.000 2.107 243 E HA 0.143 4.499 4.350 0.010 0.000 0.191 243 E C 2.646 179.214 176.600 -0.052 0.000 0.982 243 E CA 1.264 57.635 56.400 -0.048 0.000 0.809 243 E CB -0.555 29.111 29.700 -0.057 0.000 0.756 243 E HN 0.260 nan 8.360 nan 0.000 0.459 244 A N 0.842 123.642 122.820 -0.035 0.000 1.933 244 A HA -0.160 4.166 4.320 0.010 0.000 0.218 244 A C 2.283 179.873 177.584 0.011 0.000 1.175 244 A CA 1.686 53.717 52.037 -0.011 0.000 0.628 244 A CB -0.581 18.431 19.000 0.020 0.000 0.814 244 A HN 0.260 nan 8.150 nan 0.000 0.444 245 R N -0.532 119.967 120.500 -0.001 0.000 2.073 245 R HA -0.135 4.210 4.340 0.010 0.000 0.234 245 R C 2.462 178.760 176.300 -0.004 0.000 1.134 245 R CA 1.659 57.758 56.100 -0.002 0.000 0.952 245 R CB -0.317 29.978 30.300 -0.009 0.000 0.850 245 R HN 0.498 nan 8.270 nan 0.000 0.433 246 R N 0.402 120.892 120.500 -0.016 0.000 2.081 246 R HA -0.122 4.224 4.340 0.010 0.000 0.235 246 R C 2.211 178.500 176.300 -0.019 0.000 1.131 246 R CA 1.763 57.850 56.100 -0.022 0.000 0.960 246 R CB -0.087 30.192 30.300 -0.035 0.000 0.856 246 R HN 0.271 nan 8.270 nan 0.000 0.436 247 R N -0.345 120.134 120.500 -0.035 0.000 2.092 247 R HA -0.037 4.309 4.340 0.010 0.000 0.231 247 R C 2.320 178.689 176.300 0.115 0.000 1.119 247 R CA 1.248 57.323 56.100 -0.042 0.000 0.970 247 R CB -0.260 29.895 30.300 -0.243 0.000 0.864 247 R HN 0.228 nan 8.270 nan 0.000 0.440 248 A N 0.531 123.440 122.820 0.149 0.000 1.898 248 A HA -0.178 4.148 4.320 0.010 0.000 0.216 248 A C 2.264 179.874 177.584 0.044 0.000 1.181 248 A CA 2.047 54.173 52.037 0.148 0.000 0.620 248 A CB -0.827 18.203 19.000 0.050 0.000 0.819 248 A HN 0.447 nan 8.150 nan 0.000 0.442 249 T N -1.998 112.567 114.554 0.018 0.000 2.985 249 T HA -0.039 4.317 4.350 0.010 0.000 0.266 249 T C 1.748 176.451 174.700 0.005 0.000 1.076 249 T CA 1.325 63.423 62.100 -0.004 0.000 1.135 249 T CB -0.317 68.543 68.868 -0.013 0.000 0.890 249 T HN 0.192 nan 8.240 nan 0.000 0.480 250 L N 0.645 121.880 121.223 0.021 0.000 2.056 250 L HA 0.274 4.620 4.340 0.010 0.000 0.207 250 L C 2.254 179.149 176.870 0.042 0.000 1.078 250 L CA 1.531 56.385 54.840 0.023 0.000 0.749 250 L CB -1.049 41.020 42.059 0.018 0.000 0.901 250 L HN 0.391 nan 8.230 nan 0.000 0.433 251 L N -0.334 120.942 121.223 0.087 0.000 2.083 251 L HA -0.069 4.277 4.340 0.010 0.000 0.209 251 L C 2.490 179.363 176.870 0.005 0.000 1.083 251 L CA 1.842 56.740 54.840 0.097 0.000 0.752 251 L CB -0.736 41.435 42.059 0.185 0.000 0.899 251 L HN 0.273 nan 8.230 nan 0.000 0.433 252 A N -0.200 122.613 122.820 -0.011 0.000 1.883 252 A HA -0.232 4.094 4.320 0.010 0.000 0.217 252 A C 2.394 179.954 177.584 -0.040 0.000 1.186 252 A CA 1.853 53.869 52.037 -0.035 0.000 0.624 252 A CB -0.605 18.372 19.000 -0.038 0.000 0.822 252 A HN 0.493 nan 8.150 nan 0.000 0.444 253 R N -0.607 119.875 120.500 -0.030 0.000 2.091 253 R HA -0.109 4.237 4.340 0.010 0.000 0.238 253 R C 2.018 178.281 176.300 -0.062 0.000 1.136 253 R CA 1.597 57.677 56.100 -0.034 0.000 0.959 253 R CB -0.635 29.653 30.300 -0.020 0.000 0.856 253 R HN 0.540 nan 8.270 nan 0.000 0.437 254 L N 0.787 121.959 121.223 -0.085 0.000 2.275 254 L HA -0.083 4.263 4.340 0.010 0.000 0.215 254 L C 2.030 178.673 176.870 -0.378 0.000 1.119 254 L CA 0.651 55.381 54.840 -0.183 0.000 0.790 254 L CB -0.154 41.826 42.059 -0.131 0.000 0.919 254 L HN 0.129 nan 8.230 nan 0.000 0.443 255 V N -3.906 115.845 119.914 -0.271 0.000 3.483 255 V HA 0.517 4.643 4.120 0.010 0.000 0.301 255 V C 0.918 176.964 176.094 -0.079 0.000 1.389 255 V CA 0.144 62.323 62.300 -0.201 0.000 1.101 255 V CB -0.240 31.513 31.823 -0.117 0.000 0.971 255 V HN 0.386 nan 8.190 nan 0.000 0.434 256 G N -0.301 108.459 108.800 -0.066 0.000 2.467 256 G HA2 -0.168 3.798 3.960 0.010 0.000 0.242 256 G HA3 -0.168 3.798 3.960 0.010 0.000 0.242 256 G C -0.296 174.593 174.900 -0.018 0.000 1.127 256 G CA -0.175 44.907 45.100 -0.031 0.000 0.924 256 G HN 0.806 nan 8.290 nan 0.000 0.499 257 c N 1.203 119.790 118.600 -0.021 0.000 3.171 257 c HA 0.553 5.129 4.570 0.010 0.000 0.336 257 c C -1.353 172.728 174.090 -0.015 0.000 1.035 257 c CA -0.721 55.600 56.329 -0.013 0.000 1.361 257 c CB 0.815 43.317 42.510 -0.013 0.000 1.804 257 c HN 0.674 nan 8.230 nan 0.000 0.535 265 N N 0.092 118.790 118.700 -0.003 0.000 2.267 265 N HA 0.032 4.778 4.740 0.010 0.000 0.226 265 N C 0.513 176.021 175.510 -0.004 0.000 1.314 265 N CA 0.327 53.376 53.050 -0.002 0.000 0.887 265 N CB 0.935 39.422 38.487 0.001 0.000 1.120 265 N HN 0.070 nan 8.380 nan 0.000 0.440 266 D N -0.425 119.972 120.400 -0.005 0.000 2.117 266 D HA -0.088 4.558 4.640 0.010 0.000 0.198 266 D C 1.417 177.715 176.300 -0.003 0.000 0.982 266 D CA 1.592 55.586 54.000 -0.010 0.000 0.828 266 D CB -0.692 40.102 40.800 -0.010 0.000 0.967 266 D HN 0.685 nan 8.370 nan 0.000 0.464 267 T N 0.820 115.378 114.554 0.006 0.000 2.665 267 T HA -0.190 4.165 4.350 0.010 0.000 0.268 267 T C 1.818 176.529 174.700 0.018 0.000 1.035 267 T CA 1.377 63.486 62.100 0.016 0.000 1.151 267 T CB -0.210 68.668 68.868 0.017 0.000 0.862 267 T HN 0.257 nan 8.240 nan 0.000 0.438 268 E N 0.105 120.311 120.200 0.011 0.000 2.058 268 E HA -0.118 4.238 4.350 0.010 0.000 0.194 268 E C 2.169 178.776 176.600 0.011 0.000 0.997 268 E CA 0.892 57.299 56.400 0.012 0.000 0.801 268 E CB -0.189 29.515 29.700 0.007 0.000 0.746 268 E HN 0.293 nan 8.360 nan 0.000 0.450 269 L N 0.467 121.690 121.223 0.001 0.000 2.056 269 L HA -0.149 4.196 4.340 0.010 0.000 0.207 269 L C 2.090 178.956 176.870 -0.006 0.000 1.078 269 L CA 1.310 56.145 54.840 -0.009 0.000 0.749 269 L CB -0.079 41.965 42.059 -0.025 0.000 0.901 269 L HN 0.157 nan 8.230 nan 0.000 0.433 270 I N -0.797 119.773 120.570 -0.001 0.000 2.353 270 I HA -0.190 3.986 4.170 0.010 0.000 0.248 270 I C 2.572 178.756 176.117 0.112 0.000 1.119 270 I CA 0.957 62.277 61.300 0.033 0.000 1.417 270 I CB -0.535 37.483 38.000 0.031 0.000 1.078 270 I HN 0.275 nan 8.210 nan 0.000 0.421 271 A N -0.275 122.589 122.820 0.073 0.000 1.940 271 A HA -0.302 4.024 4.320 0.010 0.000 0.219 271 A C 2.505 180.129 177.584 0.066 0.000 1.176 271 A CA 2.048 54.126 52.037 0.069 0.000 0.631 271 A CB -1.275 17.752 19.000 0.044 0.000 0.814 271 A HN 0.639 nan 8.150 nan 0.000 0.446 272 c N -0.894 117.738 118.600 0.054 0.000 2.486 272 c HA 0.157 4.732 4.570 0.010 0.000 0.279 272 c C 2.505 176.634 174.090 0.065 0.000 1.302 272 c CA 0.801 57.157 56.329 0.045 0.000 1.720 272 c CB -1.497 41.028 42.510 0.025 0.000 2.030 272 c HN 0.568 nan 8.230 nan 0.000 0.490 273 L N 0.575 121.852 121.223 0.090 0.000 2.127 273 L HA -0.139 4.207 4.340 0.010 0.000 0.211 273 L C 2.970 179.965 176.870 0.209 0.000 1.089 273 L CA 1.564 56.498 54.840 0.156 0.000 0.757 273 L CB -0.581 41.584 42.059 0.177 0.000 0.899 273 L HN 0.384 nan 8.230 nan 0.000 0.434 274 R N -0.785 119.828 120.500 0.188 0.000 2.235 274 R HA -0.087 4.258 4.340 0.010 0.000 0.213 274 R C 2.100 178.421 176.300 0.035 0.000 1.059 274 R CA 1.536 57.687 56.100 0.084 0.000 0.997 274 R CB -0.191 30.154 30.300 0.076 0.000 0.884 274 R HN 0.475 nan 8.270 nan 0.000 0.462 275 T N -1.651 112.931 114.554 0.046 0.000 3.100 275 T HA 0.138 4.494 4.350 0.010 0.000 0.253 275 T C 0.835 175.552 174.700 0.028 0.000 1.118 275 T CA -0.133 61.984 62.100 0.029 0.000 1.058 275 T CB 0.176 69.061 68.868 0.028 0.000 0.953 275 T HN -0.159 nan 8.240 nan 0.000 0.515 276 R N 2.599 123.123 120.500 0.039 0.000 2.410 276 R HA 0.437 4.783 4.340 0.010 0.000 0.288 276 R C -2.764 173.552 176.300 0.027 0.000 1.051 276 R CA -2.643 53.480 56.100 0.038 0.000 1.021 276 R CB 0.088 30.418 30.300 0.050 0.000 1.032 276 R HN 0.235 nan 8.270 nan 0.000 0.481 277 P HA 0.045 nan 4.420 nan 0.000 0.268 277 P C 0.226 177.511 177.300 -0.025 0.000 1.205 277 P CA 0.081 63.176 63.100 -0.008 0.000 0.771 277 P CB 0.613 32.318 31.700 0.009 0.000 0.858 278 A N 2.694 125.437 122.820 -0.130 0.000 1.948 278 A HA -0.280 4.046 4.320 0.010 0.000 0.220 278 A C 2.135 179.623 177.584 -0.159 0.000 1.177 278 A CA 1.945 53.882 52.037 -0.167 0.000 0.636 278 A CB -1.136 17.348 19.000 -0.860 0.000 0.815 278 A HN 0.554 nan 8.150 nan 0.000 0.449 279 Q N -0.133 119.550 119.800 -0.195 0.000 2.230 279 Q HA -0.112 4.234 4.340 0.010 0.000 0.202 279 Q C 1.261 177.339 176.000 0.129 0.000 0.963 279 Q CA 1.724 57.560 55.803 0.055 0.000 0.866 279 Q CB -0.337 28.481 28.738 0.134 0.000 0.931 279 Q HN 0.626 nan 8.270 nan 0.000 0.452 280 D N -0.439 120.027 120.400 0.111 0.000 2.123 280 D HA -0.157 4.489 4.640 0.010 0.000 0.196 280 D C 1.597 178.032 176.300 0.225 0.000 0.992 280 D CA 1.224 55.332 54.000 0.181 0.000 0.833 280 D CB -0.084 40.801 40.800 0.142 0.000 0.954 280 D HN 0.294 nan 8.370 nan 0.000 0.455 281 L N -0.135 121.167 121.223 0.132 0.000 2.046 281 L HA -0.124 4.221 4.340 0.010 0.000 0.208 281 L C 2.401 179.348 176.870 0.129 0.000 1.077 281 L CA 0.611 55.493 54.840 0.070 0.000 0.747 281 L CB -0.485 41.493 42.059 -0.135 0.000 0.896 281 L HN -0.003 nan 8.230 nan 0.000 0.432 282 V N -0.315 119.720 119.914 0.201 0.000 2.427 282 V HA -0.245 3.881 4.120 0.010 0.000 0.248 282 V C 1.946 178.161 176.094 0.202 0.000 1.051 282 V CA 1.663 64.130 62.300 0.279 0.000 1.048 282 V CB -0.523 31.563 31.823 0.438 0.000 0.666 282 V HN 0.393 nan 8.190 nan 0.000 0.456 283 D N -1.013 119.480 120.400 0.155 0.000 2.263 283 D HA -0.114 4.532 4.640 0.010 0.000 0.208 283 D C 1.804 177.959 176.300 -0.243 0.000 0.971 283 D CA 1.175 55.175 54.000 -0.001 0.000 0.867 283 D CB -0.128 40.658 40.800 -0.023 0.000 0.929 283 D HN 0.559 nan 8.370 nan 0.000 0.492 284 H N -0.983 118.114 119.070 0.045 0.000 2.893 284 H HA 0.140 4.702 4.556 0.010 0.000 0.270 284 H C 1.460 176.781 175.328 -0.012 0.000 1.095 284 H CA -0.097 55.953 56.048 0.003 0.000 1.186 284 H CB 0.818 30.685 29.762 0.175 0.000 1.562 284 H HN 0.227 nan 8.280 nan 0.000 0.536 285 E N 0.852 121.152 120.200 0.167 0.000 2.136 285 E HA -0.241 4.115 4.350 0.010 0.000 0.202 285 E C 1.643 178.399 176.600 0.260 0.000 1.019 285 E CA 1.440 58.017 56.400 0.296 0.000 0.819 285 E CB -0.022 29.843 29.700 0.275 0.000 0.739 285 E HN 0.372 nan 8.360 nan 0.000 0.458 286 W N 0.559 121.754 121.300 -0.175 0.000 2.584 286 W HA -0.012 4.653 4.660 0.009 0.000 0.264 286 W C 1.362 177.836 176.519 -0.075 0.000 1.264 286 W CA 1.261 58.492 57.345 -0.191 0.000 1.306 286 W CB -0.167 29.104 29.460 -0.315 0.000 1.110 286 W HN 0.248 nan 8.180 nan 0.000 0.606 287 H N -1.008 118.101 119.070 0.066 0.000 2.563 287 H HA -0.039 4.523 4.556 0.010 0.000 0.272 287 H C 1.946 177.219 175.328 -0.092 0.000 1.005 287 H CA 0.967 56.982 56.048 -0.056 0.000 1.171 287 H CB -0.000 29.816 29.762 0.090 0.000 1.351 287 H HN 0.115 nan 8.280 nan 0.000 0.602 288 V N -1.591 118.327 119.914 0.008 0.000 3.647 288 V HA 0.155 4.281 4.120 0.010 0.000 0.279 288 V C 0.560 176.564 176.094 -0.149 0.000 1.314 288 V CA -0.092 62.179 62.300 -0.049 0.000 1.125 288 V CB -0.462 31.346 31.823 -0.025 0.000 0.907 288 V HN 0.135 nan 8.190 nan 0.000 0.434 289 L N 2.373 123.466 121.223 -0.217 0.000 2.416 289 L HA 0.267 4.613 4.340 0.010 0.000 0.272 289 L C -0.450 176.306 176.870 -0.190 0.000 1.161 289 L CA -1.093 53.608 54.840 -0.232 0.000 0.845 289 L CB 0.940 42.811 42.059 -0.313 0.000 1.119 289 L HN 0.145 nan 8.230 nan 0.000 0.464 290 P HA -0.067 nan 4.420 nan 0.000 0.223 290 P C -0.317 176.916 177.300 -0.112 0.000 1.151 290 P CA 0.996 64.027 63.100 -0.115 0.000 0.787 290 P CB 0.472 32.116 31.700 -0.093 0.000 0.788 291 Q N -1.321 118.402 119.800 -0.128 0.000 2.501 291 Q HA 0.329 4.675 4.340 0.010 0.000 0.288 291 Q C -0.637 175.275 176.000 -0.148 0.000 1.051 291 Q CA -0.768 54.967 55.803 -0.114 0.000 0.788 291 Q CB 1.319 30.009 28.738 -0.080 0.000 1.469 291 Q HN -0.062 nan 8.270 nan 0.000 0.416 292 E N 0.955 121.082 120.200 -0.123 0.000 2.415 292 E HA 0.312 4.668 4.350 0.010 0.000 0.263 292 E C -1.061 175.495 176.600 -0.074 0.000 0.995 292 E CA 0.220 56.553 56.400 -0.111 0.000 0.915 292 E CB 0.334 29.997 29.700 -0.061 0.000 0.951 292 E HN 0.592 nan 8.360 nan 0.000 0.449 293 S N 3.513 119.178 115.700 -0.059 0.000 2.565 293 S HA 0.506 4.982 4.470 0.010 0.000 0.274 293 S C -0.503 174.098 174.600 0.001 0.000 1.144 293 S CA -1.051 57.126 58.200 -0.038 0.000 0.849 293 S CB 0.466 63.620 63.200 -0.077 0.000 1.103 293 S HN 0.546 nan 8.310 nan 0.000 0.455 294 I N -2.099 118.467 120.570 -0.007 0.000 2.910 294 I HA 0.807 4.983 4.170 0.010 0.000 0.310 294 I C -0.013 176.049 176.117 -0.093 0.000 1.043 294 I CA -1.199 60.097 61.300 -0.006 0.000 1.053 294 I CB 0.732 38.760 38.000 0.046 0.000 1.242 294 I HN 0.754 nan 8.210 nan 0.000 0.452 295 F N 1.653 121.366 119.950 -0.395 0.000 3.090 295 F HA -0.197 4.336 4.527 0.010 0.000 0.282 295 F C -0.203 175.039 175.800 -0.929 0.000 0.923 295 F CA 0.700 58.212 58.000 -0.812 0.000 0.977 295 F CB -0.644 37.805 39.000 -0.918 0.000 0.954 295 F HN 0.558 nan 8.300 nan 0.000 0.695 296 R N 0.300 120.319 120.500 -0.802 0.000 2.686 296 R HA 0.660 5.006 4.340 0.010 0.000 0.283 296 R C -0.998 174.826 176.300 -0.794 0.000 0.978 296 R CA -0.591 55.111 56.100 -0.663 0.000 0.897 296 R CB 1.542 31.693 30.300 -0.248 0.000 1.192 296 R HN -0.001 nan 8.270 nan 0.000 0.457 297 F N -0.909 119.126 119.950 0.142 0.000 2.576 297 F HA 0.360 4.893 4.527 0.009 0.000 0.313 297 F C 1.418 177.245 175.800 0.045 0.000 1.078 297 F CA -0.827 57.257 58.000 0.140 0.000 0.921 297 F CB 1.962 41.132 39.000 0.282 0.000 1.232 297 F HN 0.345 nan 8.300 nan 0.000 0.459 298 S N 0.571 116.365 115.700 0.157 0.000 2.395 298 S HA 0.086 4.562 4.470 0.010 0.000 0.225 298 S C -0.114 174.137 174.600 -0.583 0.000 1.027 298 S CA 1.010 59.067 58.200 -0.238 0.000 0.965 298 S CB -0.153 62.925 63.200 -0.204 0.000 0.812 298 S HN 0.362 nan 8.310 nan 0.000 0.482 299 F N 1.485 121.565 119.950 0.216 0.000 2.532 299 F HA 0.502 5.035 4.527 0.010 0.000 0.365 299 F C -0.084 175.777 175.800 0.101 0.000 1.112 299 F CA -1.017 57.099 58.000 0.193 0.000 1.082 299 F CB 1.250 40.406 39.000 0.260 0.000 1.319 299 F HN -0.126 nan 8.300 nan 0.000 0.457 300 V N 0.508 120.409 119.914 -0.022 0.000 3.155 300 V HA 0.783 4.909 4.120 0.010 0.000 0.313 300 V C -2.835 172.906 176.094 -0.587 0.000 1.162 300 V CA -3.394 58.558 62.300 -0.580 0.000 1.048 300 V CB 2.013 33.671 31.823 -0.274 0.000 1.092 300 V HN 0.232 nan 8.190 nan 0.000 0.447 301 P HA 0.136 nan 4.420 nan 0.000 0.264 301 P C -0.676 176.503 177.300 -0.201 0.000 1.179 301 P CA 0.525 63.370 63.100 -0.424 0.000 0.763 301 P CB 0.541 31.923 31.700 -0.530 0.000 0.806 302 V N 4.729 124.599 119.914 -0.073 0.000 2.667 302 V HA 0.276 4.402 4.120 0.010 0.000 0.308 302 V C -0.381 175.703 176.094 -0.018 0.000 1.048 302 V CA -0.862 61.417 62.300 -0.034 0.000 0.928 302 V CB 2.144 33.974 31.823 0.013 0.000 1.004 302 V HN 0.126 nan 8.190 nan 0.000 0.444 303 V N 7.130 127.034 119.914 -0.016 0.000 2.326 303 V HA 0.206 4.332 4.120 0.010 0.000 0.249 303 V C 0.694 176.799 176.094 0.019 0.000 1.114 303 V CA 0.270 62.572 62.300 0.004 0.000 1.028 303 V CB 0.157 31.974 31.823 -0.010 0.000 1.170 303 V HN 1.069 nan 8.190 nan 0.000 0.494 304 D N 2.563 122.989 120.400 0.042 0.000 2.354 304 D HA 0.129 4.775 4.640 0.010 0.000 0.209 304 D C 1.610 177.937 176.300 0.046 0.000 1.015 304 D CA 0.801 54.829 54.000 0.047 0.000 0.867 304 D CB 0.373 41.214 40.800 0.069 0.000 0.933 304 D HN 0.652 nan 8.370 nan 0.000 0.520 305 G N 0.444 109.272 108.800 0.046 0.000 2.179 305 G HA2 -0.324 3.641 3.960 0.010 0.000 0.260 305 G HA3 -0.324 3.641 3.960 0.010 0.000 0.260 305 G C 0.526 175.453 174.900 0.045 0.000 0.977 305 G CA 0.691 45.813 45.100 0.037 0.000 0.641 305 G HN 0.525 nan 8.290 nan 0.000 0.533 306 D N -1.315 119.129 120.400 0.073 0.000 3.013 306 D HA 0.269 4.915 4.640 0.010 0.000 0.235 306 D C 1.831 178.193 176.300 0.103 0.000 1.540 306 D CA 0.344 54.393 54.000 0.080 0.000 1.303 306 D CB -0.530 40.329 40.800 0.098 0.000 0.980 306 D HN 0.069 nan 8.370 nan 0.000 0.250 307 F N 1.084 121.047 119.950 0.022 0.000 2.091 307 F HA 0.088 4.620 4.527 0.009 0.000 0.299 307 F C 0.683 176.489 175.800 0.009 0.000 1.103 307 F CA 1.258 59.270 58.000 0.021 0.000 1.228 307 F CB 0.089 39.100 39.000 0.019 0.000 0.984 307 F HN -0.013 nan 8.300 nan 0.000 0.477 308 L N 0.672 122.068 121.223 0.288 0.000 2.276 308 L HA 0.192 4.538 4.340 0.010 0.000 0.286 308 L C 1.303 178.220 176.870 0.079 0.000 1.024 308 L CA -0.244 54.690 54.840 0.157 0.000 0.826 308 L CB 1.406 43.544 42.059 0.132 0.000 1.211 308 L HN 0.053 nan 8.230 nan 0.000 0.422 309 S N 0.333 116.060 115.700 0.046 0.000 2.453 309 S HA 0.027 4.503 4.470 0.010 0.000 0.231 309 S C 0.448 175.061 174.600 0.021 0.000 1.005 309 S CA 0.298 58.513 58.200 0.026 0.000 0.949 309 S CB 0.192 63.397 63.200 0.008 0.000 0.774 309 S HN 0.690 nan 8.310 nan 0.000 0.510 310 D N 0.391 120.805 120.400 0.023 0.000 2.759 310 D HA 0.299 4.944 4.640 0.010 0.000 0.321 310 D C -0.815 175.492 176.300 0.011 0.000 1.267 310 D CA -0.073 53.935 54.000 0.013 0.000 0.933 310 D CB 1.509 42.314 40.800 0.009 0.000 1.431 310 D HN 0.219 nan 8.370 nan 0.000 0.504 311 T N -0.968 113.584 114.554 -0.002 0.000 2.932 311 T HA 0.205 4.561 4.350 0.010 0.000 0.312 311 T C -1.825 172.870 174.700 -0.009 0.000 1.071 311 T CA -0.703 61.388 62.100 -0.015 0.000 1.128 311 T CB 0.953 69.805 68.868 -0.026 0.000 0.984 311 T HN 0.095 nan 8.240 nan 0.000 0.549 312 P HA -0.092 nan 4.420 nan 0.000 0.216 312 P C 1.326 178.620 177.300 -0.010 0.000 1.150 312 P CA 1.052 64.141 63.100 -0.019 0.000 0.843 312 P CB 0.073 31.732 31.700 -0.067 0.000 0.787 313 E N -0.469 119.715 120.200 -0.027 0.000 2.051 313 E HA -0.136 4.220 4.350 0.010 0.000 0.192 313 E C 2.162 178.768 176.600 0.010 0.000 0.991 313 E CA 1.558 57.949 56.400 -0.016 0.000 0.799 313 E CB -1.053 28.629 29.700 -0.029 0.000 0.748 313 E HN 0.129 nan 8.360 nan 0.000 0.449 314 A N 0.318 123.143 122.820 0.008 0.000 1.972 314 A HA -0.122 4.204 4.320 0.010 0.000 0.219 314 A C 2.122 179.727 177.584 0.035 0.000 1.169 314 A CA 1.029 53.075 52.037 0.016 0.000 0.635 314 A CB -0.492 18.511 19.000 0.006 0.000 0.810 314 A HN 0.184 nan 8.150 nan 0.000 0.446 315 L N -0.217 121.036 121.223 0.050 0.000 2.131 315 L HA -0.056 4.290 4.340 0.010 0.000 0.206 315 L C 2.521 179.496 176.870 0.175 0.000 1.087 315 L CA 1.246 56.138 54.840 0.086 0.000 0.767 315 L CB -0.483 41.631 42.059 0.091 0.000 0.917 315 L HN 0.650 nan 8.230 nan 0.000 0.441 316 I N -2.984 117.691 120.570 0.176 0.000 2.546 316 I HA -0.109 4.067 4.170 0.010 0.000 0.255 316 I C 1.842 178.093 176.117 0.223 0.000 1.163 316 I CA 1.135 62.591 61.300 0.261 0.000 1.457 316 I CB -0.389 37.664 38.000 0.089 0.000 1.092 316 I HN 0.173 nan 8.210 nan 0.000 0.434 317 N N 1.474 120.244 118.700 0.117 0.000 2.331 317 N HA -0.094 4.652 4.740 0.010 0.000 0.180 317 N C 1.818 177.365 175.510 0.063 0.000 1.019 317 N CA 2.037 55.136 53.050 0.082 0.000 0.881 317 N CB -0.251 38.263 38.487 0.045 0.000 0.972 317 N HN 0.672 nan 8.380 nan 0.000 0.435 318 T N -3.704 110.874 114.554 0.041 0.000 3.044 318 T HA 0.312 4.668 4.350 0.010 0.000 0.260 318 T C 0.926 175.571 174.700 -0.092 0.000 1.019 318 T CA -0.422 61.670 62.100 -0.014 0.000 0.921 318 T CB 0.090 68.948 68.868 -0.018 0.000 1.053 318 T HN 0.032 nan 8.240 nan 0.000 0.533 319 G N 0.832 109.548 108.800 -0.139 0.000 2.527 319 G HA2 0.403 4.369 3.960 0.010 0.000 0.248 319 G HA3 0.403 4.369 3.960 0.010 0.000 0.248 319 G C -1.034 173.423 174.900 -0.740 0.000 1.231 319 G CA -0.387 44.395 45.100 -0.531 0.000 0.838 319 G HN 0.274 nan 8.290 nan 0.000 0.570 320 D N 0.738 120.689 120.400 -0.747 0.000 2.373 320 D HA 0.299 4.945 4.640 0.010 0.000 0.227 320 D C -0.601 175.329 176.300 -0.616 0.000 1.091 320 D CA -0.628 53.068 54.000 -0.507 0.000 0.840 320 D CB 0.626 41.272 40.800 -0.257 0.000 1.060 320 D HN 0.096 nan 8.370 nan 0.000 0.502 321 F N 2.555 122.512 119.950 0.012 0.000 2.963 321 F HA 0.222 4.755 4.527 0.010 0.000 0.321 321 F C 1.870 177.680 175.800 0.017 0.000 1.234 321 F CA -0.485 57.526 58.000 0.018 0.000 1.296 321 F CB 0.361 39.381 39.000 0.033 0.000 0.981 321 F HN 0.363 nan 8.300 nan 0.000 0.507 322 Q N 1.403 121.257 119.800 0.090 0.000 2.084 322 Q HA -0.181 4.165 4.340 0.010 0.000 0.202 322 Q C 1.239 177.279 176.000 0.067 0.000 0.978 322 Q CA 2.037 57.877 55.803 0.063 0.000 0.844 322 Q CB 0.105 28.853 28.738 0.015 0.000 0.898 322 Q HN 0.435 nan 8.270 nan 0.000 0.426 323 D N -0.301 120.135 120.400 0.060 0.000 2.738 323 D HA 0.087 4.732 4.640 0.010 0.000 0.246 323 D C -0.703 175.636 176.300 0.065 0.000 1.270 323 D CA -0.270 53.758 54.000 0.047 0.000 0.833 323 D CB -0.026 40.786 40.800 0.021 0.000 1.040 323 D HN 0.150 nan 8.370 nan 0.000 0.487 324 L N 0.458 121.744 121.223 0.105 0.000 2.341 324 L HA 0.492 4.838 4.340 0.010 0.000 0.278 324 L C -1.158 175.794 176.870 0.137 0.000 1.005 324 L CA -0.313 54.603 54.840 0.127 0.000 0.818 324 L CB 2.042 44.209 42.059 0.180 0.000 1.259 324 L HN -0.163 nan 8.230 nan 0.000 0.418 325 Q N 3.895 123.793 119.800 0.163 0.000 2.316 325 Q HA 0.739 5.085 4.340 0.010 0.000 0.264 325 Q C -1.173 175.093 176.000 0.444 0.000 0.987 325 Q CA -0.564 55.393 55.803 0.256 0.000 0.852 325 Q CB 2.449 31.297 28.738 0.183 0.000 1.287 325 Q HN 0.541 nan 8.270 nan 0.000 0.448 326 V N 0.101 120.238 119.914 0.371 0.000 2.709 326 V HA 0.756 4.882 4.120 0.010 0.000 0.308 326 V C -1.512 174.530 176.094 -0.087 0.000 1.062 326 V CA -1.113 61.303 62.300 0.195 0.000 0.901 326 V CB 1.757 33.614 31.823 0.058 0.000 1.003 326 V HN 0.646 nan 8.190 nan 0.000 0.425 327 L N 6.207 127.152 121.223 -0.462 0.000 2.313 327 L HA 0.926 5.272 4.340 0.010 0.000 0.283 327 L C -0.311 176.446 176.870 -0.188 0.000 1.013 327 L CA -0.222 54.294 54.840 -0.540 0.000 0.816 327 L CB 1.572 42.885 42.059 -1.243 0.000 1.236 327 L HN 1.099 nan 8.230 nan 0.000 0.419 328 V N 2.116 121.995 119.914 -0.059 0.000 3.007 328 V HA 1.132 5.258 4.120 0.010 0.000 0.311 328 V C -0.259 175.644 176.094 -0.319 0.000 1.120 328 V CA 0.268 62.515 62.300 -0.088 0.000 0.980 328 V CB 1.210 32.949 31.823 -0.140 0.000 1.033 328 V HN 1.132 nan 8.190 nan 0.000 0.429 329 G N 0.812 109.265 108.800 -0.579 0.000 2.428 329 G HA2 0.786 4.752 3.960 0.010 0.000 0.304 329 G HA3 0.786 4.752 3.960 0.010 0.000 0.304 329 G C -1.135 173.453 174.900 -0.520 0.000 1.303 329 G CA 0.176 44.594 45.100 -1.137 0.000 0.825 329 G HN 2.148 nan 8.290 nan 0.000 0.484 330 V N -2.551 117.182 119.914 -0.302 0.000 3.188 330 V HA 0.912 5.038 4.120 0.010 0.000 0.305 330 V C 0.160 176.438 176.094 0.307 0.000 1.232 330 V CA -0.348 62.000 62.300 0.081 0.000 1.043 330 V CB 1.071 32.920 31.823 0.043 0.000 1.068 330 V HN 1.948 nan 8.190 nan 0.000 0.439 331 V N -0.630 119.486 119.914 0.336 0.000 3.109 331 V HA 0.580 4.706 4.120 0.010 0.000 0.317 331 V C 1.391 177.672 176.094 0.311 0.000 1.074 331 V CA -0.012 62.532 62.300 0.407 0.000 1.033 331 V CB 1.265 33.328 31.823 0.399 0.000 1.111 331 V HN 1.066 nan 8.190 nan 0.000 0.458 332 K N -0.188 120.393 120.400 0.301 0.000 2.152 332 K HA -0.081 4.245 4.320 0.010 0.000 0.206 332 K C 0.320 177.040 176.600 0.200 0.000 1.048 332 K CA 1.936 58.356 56.287 0.221 0.000 0.933 332 K CB 0.066 32.674 32.500 0.181 0.000 0.721 332 K HN 0.910 nan 8.250 nan 0.000 0.447 333 D N 0.641 121.169 120.400 0.213 0.000 2.739 333 D HA 0.024 4.670 4.640 0.010 0.000 0.335 333 D C 0.054 176.489 176.300 0.224 0.000 1.216 333 D CA -0.079 54.037 54.000 0.194 0.000 0.808 333 D CB 1.243 42.139 40.800 0.159 0.000 1.121 333 D HN 0.106 nan 8.370 nan 0.000 0.499 334 E N 0.572 120.916 120.200 0.239 0.000 2.130 334 E HA -0.137 4.219 4.350 0.010 0.000 0.196 334 E C 1.941 178.727 176.600 0.309 0.000 0.998 334 E CA 0.905 57.483 56.400 0.298 0.000 0.806 334 E CB 0.122 29.956 29.700 0.223 0.000 0.738 334 E HN 0.436 nan 8.360 nan 0.000 0.459 335 G N 0.780 109.715 108.800 0.226 0.000 2.683 335 G HA2 -0.135 3.831 3.960 0.010 0.000 0.213 335 G HA3 -0.135 3.831 3.960 0.010 0.000 0.213 335 G C 1.664 176.724 174.900 0.267 0.000 1.142 335 G CA 0.736 45.980 45.100 0.240 0.000 0.793 335 G HN 0.348 nan 8.290 nan 0.000 0.534 336 S N 0.363 116.189 115.700 0.209 0.000 2.374 336 S HA -0.278 4.198 4.470 0.010 0.000 0.227 336 S C 2.168 176.811 174.600 0.071 0.000 1.037 336 S CA 1.533 59.834 58.200 0.169 0.000 1.024 336 S CB -0.648 62.594 63.200 0.071 0.000 0.861 336 S HN 0.481 nan 8.310 nan 0.000 0.456 337 Y N 1.978 122.182 120.300 -0.159 0.000 2.263 337 Y HA 0.130 4.685 4.550 0.009 0.000 0.292 337 Y C 1.578 177.267 175.900 -0.352 0.000 1.130 337 Y CA 0.518 58.359 58.100 -0.432 0.000 1.179 337 Y CB -0.803 37.219 38.460 -0.730 0.000 0.998 337 Y HN 0.242 nan 8.280 nan 0.000 0.532 338 F N 0.231 119.837 119.950 -0.573 0.000 2.546 338 F HA -0.123 4.410 4.527 0.010 0.000 0.298 338 F C 1.943 177.560 175.800 -0.306 0.000 1.120 338 F CA 0.839 58.475 58.000 -0.607 0.000 1.456 338 F CB -0.460 38.300 39.000 -0.401 0.000 1.088 338 F HN 0.089 nan 8.300 nan 0.000 0.572 339 L N -0.410 120.763 121.223 -0.085 0.000 2.179 339 L HA -0.081 4.265 4.340 0.010 0.000 0.208 339 L C 2.468 179.379 176.870 0.069 0.000 1.096 339 L CA 0.840 55.577 54.840 -0.173 0.000 0.779 339 L CB -0.759 40.944 42.059 -0.593 0.000 0.922 339 L HN 0.186 nan 8.230 nan 0.000 0.443 340 V N -3.963 116.093 119.914 0.237 0.000 3.041 340 V HA -0.174 3.951 4.120 0.010 0.000 0.260 340 V C 2.210 178.478 176.094 0.290 0.000 1.105 340 V CA 0.783 63.326 62.300 0.405 0.000 1.125 340 V CB -0.793 31.373 31.823 0.571 0.000 0.730 340 V HN 0.185 nan 8.190 nan 0.000 0.479 341 Y N 2.830 123.105 120.300 -0.041 0.000 2.144 341 Y HA 0.304 4.860 4.550 0.010 0.000 0.272 341 Y C 2.651 178.569 175.900 0.030 0.000 1.092 341 Y CA 1.902 59.972 58.100 -0.050 0.000 1.080 341 Y CB -1.142 37.209 38.460 -0.181 0.000 1.003 341 Y HN 0.326 nan 8.280 nan 0.000 0.477 342 G N -1.093 107.818 108.800 0.184 0.000 3.324 342 G HA2 0.322 4.288 3.960 0.010 0.000 0.251 342 G HA3 0.322 4.288 3.960 0.010 0.000 0.251 342 G C -0.736 174.250 174.900 0.144 0.000 1.072 342 G CA 0.007 45.205 45.100 0.164 0.000 0.787 342 G HN 0.064 nan 8.290 nan 0.000 0.537 343 V N 2.104 122.114 119.914 0.160 0.000 2.370 343 V HA 0.312 4.438 4.120 0.010 0.000 0.279 343 V C -2.191 174.091 176.094 0.314 0.000 1.029 343 V CA -2.059 60.367 62.300 0.210 0.000 0.870 343 V CB 1.680 33.595 31.823 0.154 0.000 0.984 343 V HN -0.012 nan 8.190 nan 0.000 0.451 344 P HA 0.316 nan 4.420 nan 0.000 0.267 344 P C 0.996 178.385 177.300 0.148 0.000 1.205 344 P CA 1.097 64.293 63.100 0.158 0.000 0.765 344 P CB 0.811 32.570 31.700 0.098 0.000 0.828 345 G N 1.304 110.128 108.800 0.041 0.000 2.278 345 G HA2 -0.194 3.772 3.960 0.010 0.000 0.210 345 G HA3 -0.194 3.772 3.960 0.010 0.000 0.210 345 G C -0.203 174.491 174.900 -0.342 0.000 1.000 345 G CA -0.587 44.400 45.100 -0.188 0.000 0.635 345 G HN 0.402 nan 8.290 nan 0.000 0.495 346 F N 1.515 121.485 119.950 0.033 0.000 2.458 346 F HA 0.806 5.339 4.527 0.010 0.000 0.330 346 F C 0.618 176.527 175.800 0.182 0.000 1.082 346 F CA -0.043 57.996 58.000 0.066 0.000 0.995 346 F CB 2.285 41.367 39.000 0.135 0.000 1.170 346 F HN 0.269 nan 8.300 nan 0.000 0.478 347 S N 1.308 117.286 115.700 0.463 0.000 2.552 347 S HA 0.253 4.729 4.470 0.010 0.000 0.272 347 S C 0.146 175.110 174.600 0.607 0.000 1.150 347 S CA -0.817 57.657 58.200 0.456 0.000 0.849 347 S CB 1.502 64.862 63.200 0.266 0.000 1.113 347 S HN 0.794 nan 8.310 nan 0.000 0.458 348 K N 1.115 121.795 120.400 0.467 0.000 2.288 348 K HA 0.055 4.381 4.320 0.010 0.000 0.201 348 K C 0.103 176.803 176.600 0.166 0.000 1.048 348 K CA 1.359 57.828 56.287 0.304 0.000 0.956 348 K CB -0.189 32.301 32.500 -0.016 0.000 0.746 348 K HN 0.550 nan 8.250 nan 0.000 0.461 349 D N 0.978 121.457 120.400 0.133 0.000 2.350 349 D HA -0.005 4.641 4.640 0.010 0.000 0.213 349 D C -0.145 176.219 176.300 0.107 0.000 1.031 349 D CA 0.293 54.329 54.000 0.059 0.000 0.861 349 D CB 0.092 40.903 40.800 0.019 0.000 0.926 349 D HN 0.466 nan 8.370 nan 0.000 0.520 350 N N -0.692 118.112 118.700 0.173 0.000 2.629 350 N HA 0.088 4.834 4.740 0.010 0.000 0.279 350 N C 0.502 176.107 175.510 0.158 0.000 1.344 350 N CA -0.515 52.608 53.050 0.122 0.000 0.789 350 N CB 1.005 39.515 38.487 0.039 0.000 1.508 350 N HN -0.438 nan 8.380 nan 0.000 0.516 351 E N -0.328 119.890 120.200 0.030 0.000 2.409 351 E HA -0.023 4.333 4.350 0.010 0.000 0.198 351 E C -0.347 175.957 176.600 -0.494 0.000 1.024 351 E CA 0.540 56.888 56.400 -0.087 0.000 0.861 351 E CB -0.674 28.993 29.700 -0.055 0.000 0.788 351 E HN 0.623 nan 8.360 nan 0.000 0.521 352 S N -0.012 115.426 115.700 -0.436 0.000 3.614 352 S HA -0.202 4.274 4.470 0.010 0.000 0.360 352 S C 0.338 174.549 174.600 -0.648 0.000 1.023 352 S CA 0.173 57.986 58.200 -0.645 0.000 1.114 352 S CB -1.958 60.656 63.200 -0.977 0.000 0.907 352 S HN 0.281 nan 8.310 nan 0.000 0.470 353 L N 1.604 122.586 121.223 -0.401 0.000 2.418 353 L HA 0.450 4.796 4.340 0.010 0.000 0.274 353 L C 0.711 177.395 176.870 -0.309 0.000 1.135 353 L CA 0.007 54.665 54.840 -0.303 0.000 0.870 353 L CB 0.116 42.064 42.059 -0.186 0.000 1.154 353 L HN 0.467 nan 8.230 nan 0.000 0.462 354 I N 0.002 120.390 120.570 -0.303 0.000 2.957 354 I HA 0.685 4.861 4.170 0.010 0.000 0.310 354 I C 0.338 176.381 176.117 -0.123 0.000 1.063 354 I CA -0.684 60.463 61.300 -0.254 0.000 1.033 354 I CB 2.104 39.899 38.000 -0.342 0.000 1.230 354 I HN 0.546 nan 8.210 nan 0.000 0.447 355 S N 2.093 117.753 115.700 -0.067 0.000 2.707 355 S HA 0.402 4.878 4.470 0.010 0.000 0.276 355 S C 0.918 175.546 174.600 0.047 0.000 1.179 355 S CA -0.471 57.720 58.200 -0.016 0.000 0.992 355 S CB 1.590 64.785 63.200 -0.007 0.000 1.030 355 S HN 0.905 nan 8.310 nan 0.000 0.554 356 R N 0.217 120.752 120.500 0.059 0.000 2.092 356 R HA -0.020 4.326 4.340 0.010 0.000 0.231 356 R C 2.243 178.639 176.300 0.160 0.000 1.119 356 R CA 1.425 57.602 56.100 0.128 0.000 0.970 356 R CB -1.059 29.291 30.300 0.085 0.000 0.864 356 R HN 0.812 nan 8.270 nan 0.000 0.440 357 A N 0.668 123.544 122.820 0.094 0.000 1.902 357 A HA -0.185 4.141 4.320 0.010 0.000 0.217 357 A C 2.007 179.639 177.584 0.080 0.000 1.181 357 A CA 1.398 53.480 52.037 0.074 0.000 0.623 357 A CB -0.420 18.607 19.000 0.046 0.000 0.818 357 A HN 0.510 nan 8.150 nan 0.000 0.443 358 Q N -1.894 117.958 119.800 0.087 0.000 2.224 358 Q HA -0.108 4.238 4.340 0.010 0.000 0.203 358 Q C 1.820 177.926 176.000 0.178 0.000 0.970 358 Q CA 1.394 57.256 55.803 0.098 0.000 0.865 358 Q CB -0.254 28.511 28.738 0.044 0.000 0.922 358 Q HN 0.828 nan 8.270 nan 0.000 0.445 359 F N 0.858 120.839 119.950 0.051 0.000 2.163 359 F HA -0.134 4.399 4.527 0.010 0.000 0.297 359 F C 1.669 177.507 175.800 0.064 0.000 1.094 359 F CA 0.863 58.906 58.000 0.071 0.000 1.290 359 F CB 0.141 39.166 39.000 0.042 0.000 1.017 359 F HN -0.058 nan 8.300 nan 0.000 0.483 360 L N 0.241 121.373 121.223 -0.150 0.000 2.093 360 L HA -0.140 4.206 4.340 0.010 0.000 0.208 360 L C 2.856 179.644 176.870 -0.137 0.000 1.085 360 L CA 0.995 55.704 54.840 -0.219 0.000 0.755 360 L CB -1.378 40.644 42.059 -0.061 0.000 0.904 360 L HN 0.230 nan 8.230 nan 0.000 0.435 361 A N 0.761 123.554 122.820 -0.045 0.000 1.902 361 A HA -0.112 4.214 4.320 0.010 0.000 0.217 361 A C 2.439 180.016 177.584 -0.011 0.000 1.181 361 A CA 1.752 53.783 52.037 -0.010 0.000 0.623 361 A CB -1.258 17.760 19.000 0.029 0.000 0.818 361 A HN 0.429 nan 8.150 nan 0.000 0.443 362 G N -0.730 108.074 108.800 0.006 0.000 2.422 362 G HA2 -0.085 3.881 3.960 0.010 0.000 0.218 362 G HA3 -0.085 3.881 3.960 0.010 0.000 0.218 362 G C 1.479 176.343 174.900 -0.060 0.000 1.146 362 G CA 1.170 46.287 45.100 0.029 0.000 0.769 362 G HN 0.315 nan 8.290 nan 0.000 0.547 363 V N 0.911 120.717 119.914 -0.180 0.000 2.427 363 V HA -0.114 4.012 4.120 0.010 0.000 0.248 363 V C 2.975 179.016 176.094 -0.088 0.000 1.051 363 V CA 1.525 63.713 62.300 -0.187 0.000 1.048 363 V CB -0.354 31.263 31.823 -0.344 0.000 0.666 363 V HN 0.206 nan 8.190 nan 0.000 0.456 364 R N -0.016 120.440 120.500 -0.074 0.000 2.096 364 R HA 0.002 4.348 4.340 0.010 0.000 0.235 364 R C 2.037 178.322 176.300 -0.025 0.000 1.127 364 R CA 1.417 57.493 56.100 -0.039 0.000 0.968 364 R CB -0.864 29.418 30.300 -0.031 0.000 0.861 364 R HN 0.471 nan 8.270 nan 0.000 0.440 365 I N -0.435 120.123 120.570 -0.019 0.000 2.406 365 I HA -0.074 4.102 4.170 0.010 0.000 0.249 365 I C 2.242 178.356 176.117 -0.006 0.000 1.122 365 I CA 1.340 62.636 61.300 -0.007 0.000 1.431 365 I CB -0.477 37.531 38.000 0.012 0.000 1.087 365 I HN 0.197 nan 8.210 nan 0.000 0.424 366 G N 0.375 109.168 108.800 -0.011 0.000 2.464 366 G HA2 -0.023 3.943 3.960 0.010 0.000 0.217 366 G HA3 -0.023 3.943 3.960 0.010 0.000 0.217 366 G C 0.811 175.732 174.900 0.035 0.000 1.138 366 G CA 0.381 45.480 45.100 -0.002 0.000 0.793 366 G HN 0.242 nan 8.290 nan 0.000 0.539 367 V N 1.801 121.723 119.914 0.014 0.000 2.320 367 V HA 0.224 4.350 4.120 0.010 0.000 0.257 367 V C -1.589 174.512 176.094 0.012 0.000 0.996 367 V CA -1.102 61.203 62.300 0.008 0.000 0.928 367 V CB 1.603 33.410 31.823 -0.026 0.000 1.169 367 V HN 0.048 nan 8.190 nan 0.000 0.475 368 P HA -0.124 nan 4.420 nan 0.000 0.223 368 P C 0.958 178.254 177.300 -0.007 0.000 1.151 368 P CA 0.989 64.085 63.100 -0.006 0.000 0.787 368 P CB 0.415 32.102 31.700 -0.021 0.000 0.788 369 Q N -0.021 119.786 119.800 0.012 0.000 2.435 369 Q HA 0.210 4.555 4.340 0.010 0.000 0.207 369 Q C 1.120 177.114 176.000 -0.010 0.000 0.956 369 Q CA 0.326 56.130 55.803 0.001 0.000 0.917 369 Q CB -0.815 27.934 28.738 0.018 0.000 0.997 369 Q HN 0.142 nan 8.270 nan 0.000 0.497 370 A N 1.460 124.275 122.820 -0.009 0.000 2.409 370 A HA 0.458 4.784 4.320 0.010 0.000 0.262 370 A C 0.493 178.065 177.584 -0.019 0.000 1.113 370 A CA -0.363 51.664 52.037 -0.018 0.000 0.790 370 A CB 0.206 19.200 19.000 -0.011 0.000 1.046 370 A HN 0.355 nan 8.150 nan 0.000 0.496 371 S N 1.986 117.671 115.700 -0.025 0.000 2.612 371 S HA 0.051 4.527 4.470 0.010 0.000 0.253 371 S C 0.491 175.086 174.600 -0.009 0.000 1.346 371 S CA 0.494 58.683 58.200 -0.020 0.000 0.976 371 S CB 0.219 63.405 63.200 -0.025 0.000 0.949 371 S HN 0.628 nan 8.310 nan 0.000 0.584 372 D N 0.057 120.455 120.400 -0.004 0.000 2.123 372 D HA -0.079 4.567 4.640 0.010 0.000 0.196 372 D C 1.717 178.028 176.300 0.019 0.000 0.992 372 D CA 1.100 55.103 54.000 0.006 0.000 0.833 372 D CB -0.435 40.369 40.800 0.007 0.000 0.954 372 D HN 0.414 nan 8.370 nan 0.000 0.455 373 L N 0.525 121.759 121.223 0.018 0.000 2.056 373 L HA 0.011 4.357 4.340 0.010 0.000 0.207 373 L C 2.026 178.928 176.870 0.054 0.000 1.078 373 L CA 1.716 56.578 54.840 0.036 0.000 0.749 373 L CB -0.857 41.216 42.059 0.025 0.000 0.901 373 L HN -0.002 nan 8.230 nan 0.000 0.433 374 A N -0.609 122.224 122.820 0.022 0.000 1.930 374 A HA -0.042 4.284 4.320 0.010 0.000 0.217 374 A C 2.409 180.030 177.584 0.062 0.000 1.175 374 A CA 1.575 53.626 52.037 0.023 0.000 0.627 374 A CB -1.035 17.939 19.000 -0.043 0.000 0.815 374 A HN 0.551 nan 8.150 nan 0.000 0.443 375 A N -0.813 122.030 122.820 0.037 0.000 1.969 375 A HA -0.089 4.237 4.320 0.010 0.000 0.218 375 A C 1.986 179.601 177.584 0.051 0.000 1.169 375 A CA 1.548 53.603 52.037 0.029 0.000 0.635 375 A CB -0.319 18.679 19.000 -0.004 0.000 0.810 375 A HN 0.407 nan 8.150 nan 0.000 0.445 376 E N 0.043 120.287 120.200 0.073 0.000 2.072 376 E HA -0.086 4.270 4.350 0.010 0.000 0.191 376 E C 2.349 179.038 176.600 0.148 0.000 0.985 376 E CA 1.135 57.597 56.400 0.104 0.000 0.801 376 E CB -0.441 29.317 29.700 0.097 0.000 0.750 376 E HN 0.528 nan 8.360 nan 0.000 0.452 377 A N 0.729 123.655 122.820 0.177 0.000 1.902 377 A HA -0.148 4.177 4.320 0.010 0.000 0.217 377 A C 2.589 180.267 177.584 0.158 0.000 1.181 377 A CA 1.519 53.704 52.037 0.247 0.000 0.623 377 A CB -0.665 18.599 19.000 0.440 0.000 0.818 377 A HN 0.145 nan 8.150 nan 0.000 0.443 378 V N -0.508 119.516 119.914 0.184 0.000 2.261 378 V HA -0.234 3.891 4.120 0.010 0.000 0.246 378 V C 2.571 178.813 176.094 0.246 0.000 1.047 378 V CA 2.030 64.402 62.300 0.121 0.000 1.015 378 V CB -0.808 31.105 31.823 0.149 0.000 0.642 378 V HN 0.368 nan 8.190 nan 0.000 0.446 379 V N -0.205 119.822 119.914 0.188 0.000 2.343 379 V HA -0.254 3.871 4.120 0.010 0.000 0.247 379 V C 2.280 178.586 176.094 0.353 0.000 1.051 379 V CA 1.979 64.443 62.300 0.272 0.000 1.036 379 V CB -0.504 31.400 31.823 0.134 0.000 0.654 379 V HN 0.447 nan 8.190 nan 0.000 0.451 380 L N -0.755 120.657 121.223 0.314 0.000 2.056 380 L HA -0.189 4.157 4.340 0.010 0.000 0.207 380 L C 2.559 179.644 176.870 0.358 0.000 1.078 380 L CA 1.971 57.080 54.840 0.448 0.000 0.749 380 L CB -0.783 41.478 42.059 0.337 0.000 0.901 380 L HN 0.430 nan 8.230 nan 0.000 0.433 381 H N -0.931 118.144 119.070 0.007 0.000 2.389 381 H HA -0.181 4.380 4.556 0.009 0.000 0.299 381 H C 1.635 176.851 175.328 -0.186 0.000 1.081 381 H CA 1.775 57.683 56.048 -0.233 0.000 1.345 381 H CB 0.086 29.376 29.762 -0.787 0.000 1.393 381 H HN 0.272 nan 8.280 nan 0.000 0.520 382 Y N -0.408 119.940 120.300 0.080 0.000 2.462 382 Y HA 0.169 4.725 4.550 0.011 0.000 0.261 382 Y C 0.637 176.571 175.900 0.056 0.000 1.146 382 Y CA 0.098 58.264 58.100 0.110 0.000 1.283 382 Y CB 0.555 39.199 38.460 0.306 0.000 1.090 382 Y HN 0.032 nan 8.280 nan 0.000 0.526 383 T N 1.119 115.690 114.554 0.027 0.000 2.884 383 T HA -0.008 4.348 4.350 0.010 0.000 0.298 383 T C -0.443 173.943 174.700 -0.523 0.000 0.998 383 T CA -0.346 61.533 62.100 -0.368 0.000 1.124 383 T CB 0.405 68.706 68.868 -0.944 0.000 0.931 383 T HN 0.053 nan 8.240 nan 0.000 0.531 384 D N 2.107 122.170 120.400 -0.562 0.000 2.411 384 D HA 0.119 4.765 4.640 0.010 0.000 0.225 384 D C 0.077 176.083 176.300 -0.491 0.000 1.156 384 D CA -0.731 52.934 54.000 -0.559 0.000 0.874 384 D CB 0.285 40.554 40.800 -0.885 0.000 1.034 384 D HN 0.589 nan 8.370 nan 0.000 0.502 385 W N 3.107 124.338 121.300 -0.115 0.000 2.825 385 W HA 0.072 4.737 4.660 0.008 0.000 0.243 385 W C 1.856 178.295 176.519 -0.132 0.000 1.293 385 W CA -0.213 57.077 57.345 -0.092 0.000 1.403 385 W CB 0.062 29.478 29.460 -0.074 0.000 1.134 385 W HN 0.427 nan 8.180 nan 0.000 0.666 386 L N -1.146 120.041 121.223 -0.061 0.000 2.209 386 L HA -0.029 4.317 4.340 0.010 0.000 0.207 386 L C 0.027 176.558 176.870 -0.565 0.000 1.094 386 L CA 1.036 55.708 54.840 -0.280 0.000 0.790 386 L CB -0.190 41.674 42.059 -0.326 0.000 0.932 386 L HN 0.010 nan 8.230 nan 0.000 0.447 387 H N -1.455 117.542 119.070 -0.122 0.000 2.429 387 H HA 0.169 4.730 4.556 0.009 0.000 0.231 387 H C -1.931 173.290 175.328 -0.179 0.000 1.416 387 H CA -1.321 54.654 56.048 -0.122 0.000 1.443 387 H CB 0.323 30.013 29.762 -0.120 0.000 1.591 387 H HN -0.050 nan 8.280 nan 0.000 0.507 388 P HA -0.053 nan 4.420 nan 0.000 0.241 388 P C 0.601 177.831 177.300 -0.117 0.000 1.191 388 P CA 0.806 63.777 63.100 -0.216 0.000 0.771 388 P CB 0.800 32.364 31.700 -0.228 0.000 0.929 389 E N -0.425 119.750 120.200 -0.042 0.000 2.501 389 E HA 0.051 4.407 4.350 0.010 0.000 0.201 389 E C 0.213 176.802 176.600 -0.020 0.000 1.016 389 E CA -0.037 56.350 56.400 -0.021 0.000 0.920 389 E CB 0.098 29.799 29.700 0.002 0.000 1.023 389 E HN 0.332 nan 8.360 nan 0.000 0.474 390 D N 2.735 123.128 120.400 -0.012 0.000 2.358 390 D HA 0.011 4.657 4.640 0.010 0.000 0.258 390 D C -1.483 174.796 176.300 -0.034 0.000 1.223 390 D CA -1.548 52.444 54.000 -0.014 0.000 0.886 390 D CB 1.753 42.546 40.800 -0.011 0.000 1.120 390 D HN -0.079 nan 8.370 nan 0.000 0.482 391 P HA -0.067 nan 4.420 nan 0.000 0.222 391 P C 1.245 178.482 177.300 -0.106 0.000 1.153 391 P CA 0.585 63.631 63.100 -0.090 0.000 0.798 391 P CB 0.373 32.016 31.700 -0.095 0.000 0.796 392 T N -0.787 113.723 114.554 -0.073 0.000 2.737 392 T HA -0.155 4.201 4.350 0.010 0.000 0.265 392 T C 1.827 176.498 174.700 -0.047 0.000 1.038 392 T CA 1.631 63.694 62.100 -0.061 0.000 1.144 392 T CB -1.044 67.804 68.868 -0.033 0.000 0.866 392 T HN 0.286 nan 8.240 nan 0.000 0.434 393 H N 0.901 119.908 119.070 -0.104 0.000 2.387 393 H HA 0.104 4.666 4.556 0.009 0.000 0.299 393 H C 1.989 177.218 175.328 -0.166 0.000 1.090 393 H CA 1.191 57.174 56.048 -0.109 0.000 1.332 393 H CB -0.488 29.200 29.762 -0.123 0.000 1.386 393 H HN 0.232 nan 8.280 nan 0.000 0.516 394 L N 0.117 121.186 121.223 -0.257 0.000 2.046 394 L HA -0.178 4.168 4.340 0.010 0.000 0.208 394 L C 2.920 179.631 176.870 -0.265 0.000 1.077 394 L CA 1.558 56.140 54.840 -0.429 0.000 0.747 394 L CB -0.511 41.376 42.059 -0.287 0.000 0.896 394 L HN 0.301 nan 8.230 nan 0.000 0.432 395 R N 0.612 121.032 120.500 -0.135 0.000 2.080 395 R HA -0.207 4.139 4.340 0.010 0.000 0.236 395 R C 1.698 178.043 176.300 0.075 0.000 1.137 395 R CA 2.347 58.458 56.100 0.017 0.000 0.943 395 R CB -0.522 29.692 30.300 -0.144 0.000 0.846 395 R HN 0.339 nan 8.270 nan 0.000 0.431 396 D N 0.297 120.677 120.400 -0.032 0.000 2.218 396 D HA -0.091 4.555 4.640 0.010 0.000 0.204 396 D C 1.675 177.946 176.300 -0.048 0.000 0.976 396 D CA 1.351 55.358 54.000 0.011 0.000 0.853 396 D CB -0.154 40.645 40.800 -0.002 0.000 0.939 396 D HN 0.418 nan 8.370 nan 0.000 0.481 397 A N 0.499 123.173 122.820 -0.242 0.000 1.897 397 A HA -0.091 4.235 4.320 0.010 0.000 0.215 397 A C 2.108 179.705 177.584 0.022 0.000 1.181 397 A CA 1.103 53.032 52.037 -0.180 0.000 0.620 397 A CB -0.410 18.292 19.000 -0.496 0.000 0.821 397 A HN 0.109 nan 8.150 nan 0.000 0.443 398 M N 0.195 119.871 119.600 0.128 0.000 2.108 398 M HA -0.124 4.362 4.480 0.010 0.000 0.261 398 M C 2.293 178.633 176.300 0.068 0.000 1.066 398 M CA 2.163 57.613 55.300 0.249 0.000 1.107 398 M CB -0.588 32.225 32.600 0.355 0.000 1.356 398 M HN 0.417 nan 8.290 nan 0.000 0.406 399 S N -0.565 115.184 115.700 0.082 0.000 2.368 399 S HA -0.030 4.446 4.470 0.010 0.000 0.224 399 S C 2.017 176.666 174.600 0.081 0.000 1.029 399 S CA 1.332 59.590 58.200 0.097 0.000 0.988 399 S CB -0.502 62.822 63.200 0.206 0.000 0.838 399 S HN 0.606 nan 8.310 nan 0.000 0.462 400 A N 0.754 123.627 122.820 0.089 0.000 1.930 400 A HA 0.060 4.386 4.320 0.010 0.000 0.217 400 A C 2.314 179.917 177.584 0.031 0.000 1.175 400 A CA 1.519 53.638 52.037 0.136 0.000 0.627 400 A CB -0.921 18.246 19.000 0.279 0.000 0.815 400 A HN 0.447 nan 8.150 nan 0.000 0.443 401 V N -0.456 119.342 119.914 -0.194 0.000 2.295 401 V HA -0.229 3.897 4.120 0.010 0.000 0.246 401 V C 2.571 178.573 176.094 -0.152 0.000 1.049 401 V CA 2.089 64.219 62.300 -0.282 0.000 1.024 401 V CB -0.632 31.039 31.823 -0.254 0.000 0.648 401 V HN 0.379 nan 8.190 nan 0.000 0.447 402 V N 0.584 120.436 119.914 -0.102 0.000 2.379 402 V HA -0.115 4.011 4.120 0.010 0.000 0.245 402 V C 2.602 178.582 176.094 -0.189 0.000 1.044 402 V CA 2.057 64.284 62.300 -0.122 0.000 1.036 402 V CB -1.262 30.528 31.823 -0.056 0.000 0.664 402 V HN 0.603 nan 8.190 nan 0.000 0.453 403 G N -0.199 108.550 108.800 -0.084 0.000 2.421 403 G HA2 -0.246 3.720 3.960 0.010 0.000 0.216 403 G HA3 -0.246 3.720 3.960 0.010 0.000 0.216 403 G C 1.239 176.056 174.900 -0.138 0.000 1.171 403 G CA 1.078 46.140 45.100 -0.063 0.000 0.775 403 G HN 0.498 nan 8.290 nan 0.000 0.543 404 D N -0.269 120.061 120.400 -0.117 0.000 2.117 404 D HA -0.085 4.561 4.640 0.010 0.000 0.198 404 D C 2.116 178.101 176.300 -0.525 0.000 0.982 404 D CA 1.267 55.166 54.000 -0.169 0.000 0.828 404 D CB -0.458 40.401 40.800 0.099 0.000 0.967 404 D HN 0.403 nan 8.370 nan 0.000 0.464 405 H N 0.847 119.338 119.070 -0.965 0.000 2.389 405 H HA 0.038 4.599 4.556 0.009 0.000 0.299 405 H C 1.438 176.378 175.328 -0.647 0.000 1.081 405 H CA 1.549 56.868 56.048 -1.215 0.000 1.345 405 H CB 0.078 29.042 29.762 -1.329 0.000 1.393 405 H HN -0.004 nan 8.280 nan 0.000 0.520 406 N N -0.867 117.401 118.700 -0.721 0.000 2.415 406 N HA 0.018 4.764 4.740 0.010 0.000 0.174 406 N C 1.173 176.419 175.510 -0.440 0.000 1.048 406 N CA 1.039 53.605 53.050 -0.807 0.000 0.895 406 N CB 1.192 38.699 38.487 -1.634 0.000 1.036 406 N HN 0.274 nan 8.380 nan 0.000 0.449 407 V N -0.548 119.171 119.914 -0.325 0.000 3.161 407 V HA 0.074 4.200 4.120 0.010 0.000 0.221 407 V C 2.130 178.173 176.094 -0.085 0.000 1.296 407 V CA 0.192 62.431 62.300 -0.102 0.000 1.306 407 V CB -0.010 31.821 31.823 0.014 0.000 1.171 407 V HN -0.176 nan 8.190 nan 0.000 0.513 408 V N -0.016 119.848 119.914 -0.084 0.000 2.307 408 V HA -0.257 3.869 4.120 0.010 0.000 0.245 408 V C 2.481 178.535 176.094 -0.066 0.000 1.045 408 V CA 2.514 64.782 62.300 -0.053 0.000 1.024 408 V CB -0.686 31.134 31.823 -0.006 0.000 0.651 408 V HN 0.657 nan 8.190 nan 0.000 0.449 409 c N -0.503 118.052 118.600 -0.076 0.000 2.475 409 c HA 0.032 4.607 4.570 0.010 0.000 0.279 409 c C 0.539 174.596 174.090 -0.054 0.000 1.322 409 c CA 0.694 57.009 56.329 -0.023 0.000 1.734 409 c CB -1.658 40.876 42.510 0.039 0.000 2.005 409 c HN 0.455 nan 8.230 nan 0.000 0.495 410 P HA -0.091 nan 4.420 nan 0.000 0.215 410 P C 1.774 179.008 177.300 -0.110 0.000 1.157 410 P CA 1.440 64.464 63.100 -0.126 0.000 0.868 410 P CB -0.153 31.436 31.700 -0.186 0.000 0.788 411 V N -0.036 119.814 119.914 -0.107 0.000 2.343 411 V HA -0.266 3.860 4.120 0.010 0.000 0.247 411 V C 2.428 178.426 176.094 -0.160 0.000 1.051 411 V CA 2.256 64.480 62.300 -0.127 0.000 1.036 411 V CB -1.703 30.044 31.823 -0.127 0.000 0.654 411 V HN 0.104 nan 8.190 nan 0.000 0.451 412 A N -0.419 122.322 122.820 -0.133 0.000 1.877 412 A HA -0.293 4.033 4.320 0.010 0.000 0.216 412 A C 2.181 179.728 177.584 -0.061 0.000 1.186 412 A CA 2.111 54.074 52.037 -0.123 0.000 0.620 412 A CB -0.584 18.392 19.000 -0.039 0.000 0.822 412 A HN 0.538 nan 8.150 nan 0.000 0.443 413 Q N -0.345 119.438 119.800 -0.030 0.000 2.045 413 Q HA -0.196 4.150 4.340 0.010 0.000 0.206 413 Q C 1.873 177.855 176.000 -0.030 0.000 0.991 413 Q CA 2.174 57.972 55.803 -0.007 0.000 0.851 413 Q CB -0.612 28.118 28.738 -0.013 0.000 0.911 413 Q HN 0.537 nan 8.270 nan 0.000 0.418 414 L N 0.082 121.259 121.223 -0.077 0.000 2.017 414 L HA -0.036 4.310 4.340 0.010 0.000 0.208 414 L C 2.177 178.986 176.870 -0.102 0.000 1.073 414 L CA 2.352 57.133 54.840 -0.098 0.000 0.745 414 L CB -1.155 40.829 42.059 -0.125 0.000 0.894 414 L HN 0.274 nan 8.230 nan 0.000 0.432 415 A N -0.475 122.255 122.820 -0.151 0.000 1.908 415 A HA -0.140 4.185 4.320 0.010 0.000 0.218 415 A C 2.321 179.931 177.584 0.043 0.000 1.181 415 A CA 1.780 53.701 52.037 -0.193 0.000 0.627 415 A CB -1.656 16.993 19.000 -0.585 0.000 0.818 415 A HN 0.570 nan 8.150 nan 0.000 0.445 416 G N -0.933 107.936 108.800 0.115 0.000 2.402 416 G HA2 -0.164 3.802 3.960 0.010 0.000 0.216 416 G HA3 -0.164 3.802 3.960 0.010 0.000 0.216 416 G C 1.694 176.677 174.900 0.140 0.000 1.162 416 G CA 0.718 45.959 45.100 0.235 0.000 0.777 416 G HN 0.396 nan 8.290 nan 0.000 0.539 417 R N 0.320 120.870 120.500 0.083 0.000 2.062 417 R HA 0.142 4.488 4.340 0.010 0.000 0.229 417 R C 2.688 179.056 176.300 0.114 0.000 1.128 417 R CA 0.497 56.652 56.100 0.092 0.000 0.960 417 R CB -1.300 29.044 30.300 0.074 0.000 0.855 417 R HN 0.390 nan 8.270 nan 0.000 0.432 418 L N 0.494 121.734 121.223 0.028 0.000 2.012 418 L HA -0.180 4.166 4.340 0.010 0.000 0.210 418 L C 2.635 179.571 176.870 0.110 0.000 1.073 418 L CA 1.705 56.547 54.840 0.003 0.000 0.748 418 L CB -0.806 41.151 42.059 -0.170 0.000 0.891 418 L HN 0.164 nan 8.230 nan 0.000 0.431 419 A N -0.059 122.827 122.820 0.111 0.000 1.933 419 A HA -0.142 4.184 4.320 0.010 0.000 0.218 419 A C 2.504 180.145 177.584 0.095 0.000 1.175 419 A CA 1.720 53.826 52.037 0.115 0.000 0.628 419 A CB -0.690 18.410 19.000 0.167 0.000 0.814 419 A HN 0.422 nan 8.150 nan 0.000 0.444 420 A N -1.178 121.703 122.820 0.103 0.000 2.015 420 A HA -0.080 4.246 4.320 0.010 0.000 0.219 420 A C 1.731 179.369 177.584 0.090 0.000 1.163 420 A CA 1.466 53.552 52.037 0.083 0.000 0.646 420 A CB -0.242 18.806 19.000 0.080 0.000 0.806 420 A HN 0.593 nan 8.150 nan 0.000 0.448 421 Q N -1.661 118.221 119.800 0.136 0.000 2.206 421 Q HA 0.420 4.766 4.340 0.010 0.000 0.265 421 Q C 0.705 176.797 176.000 0.153 0.000 0.866 421 Q CA 0.394 56.279 55.803 0.137 0.000 1.073 421 Q CB 0.586 29.429 28.738 0.175 0.000 1.165 421 Q HN 0.739 nan 8.270 nan 0.000 0.465 422 G N -0.500 108.375 108.800 0.124 0.000 2.195 422 G HA2 -0.244 3.722 3.960 0.010 0.000 0.224 422 G HA3 -0.244 3.722 3.960 0.010 0.000 0.224 422 G C 0.326 175.294 174.900 0.114 0.000 0.990 422 G CA -0.238 44.923 45.100 0.101 0.000 0.639 422 G HN 0.554 nan 8.290 nan 0.000 0.514 423 A N -0.207 122.700 122.820 0.145 0.000 2.332 423 A HA 0.788 5.114 4.320 0.010 0.000 0.258 423 A C 0.528 178.149 177.584 0.062 0.000 1.087 423 A CA 0.331 52.438 52.037 0.116 0.000 0.802 423 A CB 0.456 19.514 19.000 0.097 0.000 1.042 423 A HN 0.694 nan 8.150 nan 0.000 0.489 424 R N 0.599 121.131 120.500 0.053 0.000 2.229 424 R HA 0.522 4.867 4.340 0.010 0.000 0.328 424 R C -1.387 174.896 176.300 -0.029 0.000 1.009 424 R CA 0.084 56.176 56.100 -0.014 0.000 0.864 424 R CB 0.676 30.994 30.300 0.031 0.000 1.085 424 R HN 0.438 nan 8.270 nan 0.000 0.453 425 V N 5.854 125.682 119.914 -0.143 0.000 2.540 425 V HA 0.442 4.568 4.120 0.010 0.000 0.302 425 V C -1.043 174.881 176.094 -0.284 0.000 1.035 425 V CA -0.785 61.457 62.300 -0.096 0.000 0.873 425 V CB 1.496 33.333 31.823 0.024 0.000 0.992 425 V HN 0.649 nan 8.190 nan 0.000 0.428 426 Y N 2.125 122.394 120.300 -0.051 0.000 2.429 426 Y HA 0.820 5.375 4.550 0.008 0.000 0.342 426 Y C 0.339 176.321 175.900 0.136 0.000 1.004 426 Y CA -0.614 57.459 58.100 -0.044 0.000 1.075 426 Y CB 2.235 40.322 38.460 -0.621 0.000 1.214 426 Y HN 0.754 nan 8.280 nan 0.000 0.455 427 A N 2.719 125.921 122.820 0.637 0.000 2.414 427 A HA 0.828 5.154 4.320 0.010 0.000 0.306 427 A C -1.931 176.013 177.584 0.599 0.000 1.054 427 A CA -0.707 51.569 52.037 0.398 0.000 0.724 427 A CB 0.994 20.054 19.000 0.100 0.000 1.267 427 A HN 0.745 nan 8.150 nan 0.000 0.418 428 Y N -0.259 120.267 120.300 0.377 0.000 2.581 428 Y HA 0.820 5.375 4.550 0.008 0.000 0.345 428 Y C -1.138 174.929 175.900 0.278 0.000 1.036 428 Y CA -1.686 56.593 58.100 0.299 0.000 1.042 428 Y CB 1.374 40.011 38.460 0.296 0.000 1.289 428 Y HN 0.725 nan 8.280 nan 0.000 0.471 429 I N 3.175 124.046 120.570 0.501 0.000 2.498 429 I HA 0.492 4.668 4.170 0.010 0.000 0.290 429 I C -1.957 174.491 176.117 0.553 0.000 1.032 429 I CA -1.053 60.513 61.300 0.444 0.000 1.073 429 I CB 1.311 39.502 38.000 0.318 0.000 1.251 429 I HN 0.748 nan 8.210 nan 0.000 0.426 430 F N 7.201 127.426 119.950 0.459 0.000 2.404 430 F HA 0.436 4.969 4.527 0.010 0.000 0.354 430 F C 0.407 176.359 175.800 0.253 0.000 1.122 430 F CA 0.011 58.228 58.000 0.361 0.000 1.080 430 F CB 1.039 40.275 39.000 0.394 0.000 1.131 430 F HN 0.547 nan 8.300 nan 0.000 0.471 431 E N 2.978 123.069 120.200 -0.181 0.000 2.676 431 E HA -0.007 4.349 4.350 0.010 0.000 0.222 431 E C -0.818 175.677 176.600 -0.175 0.000 0.968 431 E CA -0.207 56.153 56.400 -0.067 0.000 1.090 431 E CB 0.310 29.993 29.700 -0.028 0.000 1.066 431 E HN 0.520 nan 8.360 nan 0.000 0.496 432 H N 1.935 120.663 119.070 -0.570 0.000 2.562 432 H HA 0.215 4.776 4.556 0.009 0.000 0.314 432 H C -0.289 174.994 175.328 -0.076 0.000 1.079 432 H CA -0.477 55.312 56.048 -0.431 0.000 1.349 432 H CB 0.562 29.875 29.762 -0.749 0.000 1.432 432 H HN -0.115 nan 8.280 nan 0.000 0.479 433 R N 4.215 124.355 120.500 -0.600 0.000 2.265 433 R HA 0.500 4.846 4.340 0.010 0.000 0.314 433 R C -0.657 175.335 176.300 -0.514 0.000 1.053 433 R CA -0.622 55.274 56.100 -0.340 0.000 0.931 433 R CB 0.454 30.651 30.300 -0.172 0.000 1.024 433 R HN 0.785 nan 8.270 nan 0.000 0.457 434 A N 3.197 126.029 122.820 0.020 0.000 2.546 434 A HA 0.014 4.340 4.320 0.010 0.000 0.243 434 A C 1.418 179.075 177.584 0.121 0.000 1.063 434 A CA 0.504 52.751 52.037 0.350 0.000 0.757 434 A CB 0.342 19.653 19.000 0.518 0.000 0.991 434 A HN 1.042 nan 8.150 nan 0.000 0.503 435 S N 1.781 117.594 115.700 0.189 0.000 2.419 435 S HA -0.194 4.282 4.470 0.010 0.000 0.235 435 S C 1.424 175.990 174.600 -0.057 0.000 1.019 435 S CA 1.951 60.186 58.200 0.060 0.000 0.982 435 S CB -0.902 62.356 63.200 0.098 0.000 0.789 435 S HN 1.343 nan 8.310 nan 0.000 0.490 436 T N -1.101 113.366 114.554 -0.145 0.000 3.129 436 T HA 0.356 4.712 4.350 0.010 0.000 0.251 436 T C 0.365 174.960 174.700 -0.176 0.000 1.117 436 T CA -0.491 61.459 62.100 -0.250 0.000 1.034 436 T CB -0.466 68.092 68.868 -0.516 0.000 0.968 436 T HN 0.269 nan 8.240 nan 0.000 0.526 437 L N 3.596 124.755 121.223 -0.108 0.000 2.456 437 L HA 0.333 4.679 4.340 0.010 0.000 0.272 437 L C 1.498 178.285 176.870 -0.138 0.000 1.189 437 L CA 0.752 55.515 54.840 -0.128 0.000 0.846 437 L CB 1.096 43.084 42.059 -0.118 0.000 1.111 437 L HN 0.406 nan 8.230 nan 0.000 0.475 438 T N -1.179 113.250 114.554 -0.209 0.000 3.023 438 T HA 0.156 4.512 4.350 0.010 0.000 0.253 438 T C 0.257 174.884 174.700 -0.123 0.000 1.038 438 T CA -0.478 61.499 62.100 -0.205 0.000 0.962 438 T CB -0.307 68.333 68.868 -0.380 0.000 1.018 438 T HN 0.387 nan 8.240 nan 0.000 0.521 439 W N 3.482 124.758 121.300 -0.040 0.000 2.126 439 W HA 0.442 5.109 4.660 0.011 0.000 0.346 439 W C -2.016 174.421 176.519 -0.138 0.000 1.279 439 W CA -2.100 55.219 57.345 -0.044 0.000 1.259 439 W CB 0.197 29.552 29.460 -0.175 0.000 1.133 439 W HN -0.029 nan 8.180 nan 0.000 0.592 440 P HA 0.023 nan 4.420 nan 0.000 0.272 440 P C 0.558 177.802 177.300 -0.093 0.000 1.240 440 P CA -0.045 63.039 63.100 -0.027 0.000 0.791 440 P CB 0.907 32.593 31.700 -0.025 0.000 0.978 441 L N 0.391 121.622 121.223 0.013 0.000 2.079 441 L HA -0.153 4.193 4.340 0.010 0.000 0.210 441 L C 2.554 179.474 176.870 0.084 0.000 1.081 441 L CA 1.576 56.443 54.840 0.045 0.000 0.752 441 L CB -0.829 41.285 42.059 0.091 0.000 0.896 441 L HN 0.616 nan 8.230 nan 0.000 0.433 442 W N -0.953 120.405 121.300 0.096 0.000 2.421 442 W HA -0.168 4.497 4.660 0.009 0.000 0.270 442 W C 1.737 178.326 176.519 0.117 0.000 1.233 442 W CA 0.517 57.923 57.345 0.102 0.000 1.226 442 W CB -0.735 28.791 29.460 0.110 0.000 1.121 442 W HN 0.177 nan 8.180 nan 0.000 0.579 443 M N 1.329 120.644 119.600 -0.474 0.000 2.562 443 M HA 0.112 4.598 4.480 0.010 0.000 0.257 443 M C 1.813 178.040 176.300 -0.122 0.000 1.099 443 M CA 1.540 56.542 55.300 -0.496 0.000 1.099 443 M CB -0.546 31.607 32.600 -0.746 0.000 1.427 443 M HN 0.224 nan 8.290 nan 0.000 0.489 444 G N 0.486 109.264 108.800 -0.036 0.000 2.565 444 G HA2 -0.292 3.674 3.960 0.010 0.000 0.295 444 G HA3 -0.292 3.674 3.960 0.010 0.000 0.295 444 G C -0.123 174.787 174.900 0.016 0.000 1.165 444 G CA -0.113 45.004 45.100 0.029 0.000 0.977 444 G HN 0.223 nan 8.290 nan 0.000 0.546 445 V N 3.695 123.660 119.914 0.085 0.000 2.259 445 V HA 0.464 4.590 4.120 0.010 0.000 0.267 445 V C -1.840 174.371 176.094 0.195 0.000 1.051 445 V CA -0.785 61.610 62.300 0.158 0.000 0.830 445 V CB 1.038 33.014 31.823 0.256 0.000 1.080 445 V HN 0.515 nan 8.190 nan 0.000 0.467 446 P HA 0.164 nan 4.420 nan 0.000 0.276 446 P C -0.119 177.374 177.300 0.322 0.000 1.252 446 P CA -0.550 62.642 63.100 0.154 0.000 0.802 446 P CB 0.338 31.979 31.700 -0.098 0.000 1.035 447 H N 0.954 120.120 119.070 0.159 0.000 3.237 447 H HA 0.146 4.707 4.556 0.009 0.000 0.263 447 H C 1.558 176.858 175.328 -0.046 0.000 0.854 447 H CA 2.401 58.520 56.048 0.118 0.000 1.416 447 H CB -1.064 28.803 29.762 0.175 0.000 1.432 447 H HN 0.736 nan 8.280 nan 0.000 0.529 448 G N 3.553 112.190 108.800 -0.272 0.000 2.218 448 G HA2 -0.277 3.689 3.960 0.010 0.000 0.216 448 G HA3 -0.277 3.689 3.960 0.010 0.000 0.216 448 G C 0.565 175.387 174.900 -0.131 0.000 0.994 448 G CA 0.164 45.072 45.100 -0.319 0.000 0.637 448 G HN 0.608 nan 8.290 nan 0.000 0.505 449 Y N 1.637 122.032 120.300 0.157 0.000 2.495 449 Y HA 0.263 4.819 4.550 0.009 0.000 0.293 449 Y C 2.251 178.275 175.900 0.208 0.000 1.186 449 Y CA 0.827 59.065 58.100 0.230 0.000 1.266 449 Y CB 0.512 39.123 38.460 0.250 0.000 1.101 449 Y HN 0.477 nan 8.280 nan 0.000 0.517 450 E N 0.009 120.197 120.200 -0.021 0.000 2.364 450 E HA -0.041 4.315 4.350 0.010 0.000 0.196 450 E C 1.561 178.049 176.600 -0.187 0.000 0.990 450 E CA 0.592 56.651 56.400 -0.567 0.000 0.886 450 E CB -0.303 28.623 29.700 -1.290 0.000 0.866 450 E HN 0.543 nan 8.360 nan 0.000 0.493 451 I N 2.842 123.395 120.570 -0.028 0.000 2.179 451 I HA -0.294 3.882 4.170 0.010 0.000 0.242 451 I C 2.726 178.833 176.117 -0.016 0.000 1.088 451 I CA 2.068 63.389 61.300 0.034 0.000 1.357 451 I CB -0.491 37.600 38.000 0.151 0.000 1.051 451 I HN 0.210 nan 8.210 nan 0.000 0.409 452 E N 1.206 121.344 120.200 -0.103 0.000 2.209 452 E HA -0.237 4.119 4.350 0.010 0.000 0.196 452 E C 2.039 178.382 176.600 -0.428 0.000 0.993 452 E CA 1.483 57.717 56.400 -0.275 0.000 0.819 452 E CB -0.539 28.977 29.700 -0.307 0.000 0.745 452 E HN 0.452 nan 8.360 nan 0.000 0.477 453 F N 1.351 121.187 119.950 -0.190 0.000 2.163 453 F HA -0.053 4.482 4.527 0.012 0.000 0.297 453 F C 2.352 177.913 175.800 -0.398 0.000 1.094 453 F CA 0.544 58.371 58.000 -0.288 0.000 1.290 453 F CB -0.148 38.753 39.000 -0.165 0.000 1.017 453 F HN -0.020 nan 8.300 nan 0.000 0.483 454 I N -0.788 119.613 120.570 -0.283 0.000 2.286 454 I HA -0.279 3.897 4.170 0.010 0.000 0.248 454 I C 2.096 177.949 176.117 -0.440 0.000 1.115 454 I CA 1.680 62.647 61.300 -0.554 0.000 1.392 454 I CB -1.463 36.093 38.000 -0.740 0.000 1.065 454 I HN 0.092 nan 8.210 nan 0.000 0.418 455 F N 0.895 120.646 119.950 -0.331 0.000 2.710 455 F HA 0.204 4.737 4.527 0.010 0.000 0.298 455 F C 1.881 177.532 175.800 -0.247 0.000 1.137 455 F CA 0.893 58.742 58.000 -0.252 0.000 1.444 455 F CB -0.233 38.602 39.000 -0.275 0.000 1.111 455 F HN 0.295 nan 8.300 nan 0.000 0.580 456 G N -0.103 108.529 108.800 -0.278 0.000 2.132 456 G HA2 -0.278 3.688 3.960 0.010 0.000 0.228 456 G HA3 -0.278 3.688 3.960 0.010 0.000 0.228 456 G C 0.949 175.268 174.900 -0.969 0.000 1.000 456 G CA 0.250 45.064 45.100 -0.477 0.000 0.693 456 G HN 0.279 nan 8.290 nan 0.000 0.515 457 L N 0.511 121.202 121.223 -0.886 0.000 2.042 457 L HA 0.022 4.368 4.340 0.010 0.000 0.210 457 L C 0.456 176.770 176.870 -0.927 0.000 1.076 457 L CA 2.848 57.103 54.840 -0.974 0.000 0.749 457 L CB -0.957 40.772 42.059 -0.551 0.000 0.893 457 L HN 0.213 nan 8.230 nan 0.000 0.432 458 P HA -0.167 nan 4.420 nan 0.000 0.222 458 P C 1.490 178.526 177.300 -0.440 0.000 1.142 458 P CA 0.951 63.478 63.100 -0.955 0.000 0.788 458 P CB 0.031 31.155 31.700 -0.960 0.000 0.767 459 L N -1.458 119.467 121.223 -0.497 0.000 2.478 459 L HA 0.004 4.350 4.340 0.010 0.000 0.223 459 L C 0.940 177.717 176.870 -0.154 0.000 1.140 459 L CA 1.071 55.743 54.840 -0.280 0.000 0.842 459 L CB -0.972 40.936 42.059 -0.251 0.000 0.953 459 L HN -0.056 nan 8.230 nan 0.000 0.452 460 D N 0.106 120.383 120.400 -0.204 0.000 2.336 460 D HA 0.084 4.730 4.640 0.010 0.000 0.249 460 D C -1.573 174.730 176.300 0.005 0.000 1.213 460 D CA -1.862 52.134 54.000 -0.005 0.000 0.870 460 D CB 1.649 42.476 40.800 0.045 0.000 1.076 460 D HN -0.022 nan 8.370 nan 0.000 0.483 461 P HA -0.144 nan 4.420 nan 0.000 0.217 461 P C 1.356 178.667 177.300 0.019 0.000 1.150 461 P CA 0.895 64.008 63.100 0.020 0.000 0.832 461 P CB -0.024 31.686 31.700 0.016 0.000 0.787 462 S N -0.608 115.102 115.700 0.015 0.000 2.493 462 S HA -0.104 4.372 4.470 0.010 0.000 0.243 462 S C 1.655 176.249 174.600 -0.011 0.000 0.991 462 S CA 0.879 59.079 58.200 0.000 0.000 0.957 462 S CB -1.502 61.698 63.200 0.001 0.000 0.756 462 S HN 0.131 nan 8.310 nan 0.000 0.521 463 L N 0.522 121.753 121.223 0.013 0.000 2.592 463 L HA 0.246 4.591 4.340 0.010 0.000 0.227 463 L C 0.276 177.100 176.870 -0.078 0.000 1.127 463 L CA -0.118 54.718 54.840 -0.006 0.000 0.884 463 L CB -0.651 41.469 42.059 0.101 0.000 1.065 463 L HN 0.205 nan 8.230 nan 0.000 0.457 464 N N -1.564 117.118 118.700 -0.031 0.000 2.782 464 N HA -0.234 4.512 4.740 0.010 0.000 0.251 464 N C -0.434 175.021 175.510 -0.092 0.000 1.101 464 N CA 0.879 53.885 53.050 -0.073 0.000 0.764 464 N CB -1.806 36.603 38.487 -0.130 0.000 1.122 464 N HN 0.293 nan 8.380 nan 0.000 0.561 465 Y N 0.812 121.090 120.300 -0.037 0.000 2.326 465 Y HA 0.193 4.749 4.550 0.010 0.000 0.333 465 Y C 1.935 177.850 175.900 0.024 0.000 1.240 465 Y CA 0.206 58.308 58.100 0.004 0.000 1.365 465 Y CB 0.537 38.984 38.460 -0.020 0.000 1.289 465 Y HN 0.087 nan 8.280 nan 0.000 0.548 466 T N -2.290 112.400 114.554 0.226 0.000 2.766 466 T HA 0.017 4.373 4.350 0.010 0.000 0.295 466 T C 1.167 175.942 174.700 0.126 0.000 1.024 466 T CA -0.248 61.936 62.100 0.140 0.000 1.018 466 T CB 0.811 69.754 68.868 0.125 0.000 1.002 466 T HN 0.735 nan 8.240 nan 0.000 0.532 467 T N 1.236 115.835 114.554 0.076 0.000 2.746 467 T HA -0.068 4.288 4.350 0.010 0.000 0.267 467 T C 1.823 176.554 174.700 0.052 0.000 1.039 467 T CA 1.833 63.965 62.100 0.053 0.000 1.142 467 T CB -0.439 68.448 68.868 0.032 0.000 0.866 467 T HN 0.787 nan 8.240 nan 0.000 0.444 468 E N 1.243 121.470 120.200 0.046 0.000 2.110 468 E HA -0.097 4.259 4.350 0.010 0.000 0.193 468 E C 2.163 178.798 176.600 0.058 0.000 0.988 468 E CA 0.938 57.351 56.400 0.022 0.000 0.804 468 E CB -0.170 29.516 29.700 -0.023 0.000 0.745 468 E HN 0.549 nan 8.360 nan 0.000 0.458 469 E N 0.414 120.687 120.200 0.122 0.000 2.077 469 E HA -0.172 4.184 4.350 0.010 0.000 0.193 469 E C 2.133 178.857 176.600 0.208 0.000 0.989 469 E CA 0.710 57.271 56.400 0.267 0.000 0.800 469 E CB -0.024 29.951 29.700 0.459 0.000 0.746 469 E HN 0.096 nan 8.360 nan 0.000 0.452 470 R N 1.073 121.625 120.500 0.087 0.000 2.081 470 R HA -0.145 4.201 4.340 0.010 0.000 0.235 470 R C 2.108 178.410 176.300 0.004 0.000 1.131 470 R CA 1.222 57.315 56.100 -0.011 0.000 0.960 470 R CB -0.308 29.979 30.300 -0.022 0.000 0.856 470 R HN 0.186 nan 8.270 nan 0.000 0.436 471 I N 0.592 121.188 120.570 0.042 0.000 2.394 471 I HA -0.236 3.940 4.170 0.010 0.000 0.251 471 I C 2.217 178.379 176.117 0.075 0.000 1.136 471 I CA 0.894 62.216 61.300 0.036 0.000 1.425 471 I CB -0.309 37.711 38.000 0.034 0.000 1.079 471 I HN 0.140 nan 8.210 nan 0.000 0.425 472 F N 1.784 121.697 119.950 -0.062 0.000 2.206 472 F HA -0.097 4.435 4.527 0.009 0.000 0.298 472 F C 2.389 178.176 175.800 -0.021 0.000 1.090 472 F CA 1.103 59.058 58.000 -0.075 0.000 1.323 472 F CB -0.553 38.348 39.000 -0.165 0.000 1.028 472 F HN -0.002 nan 8.300 nan 0.000 0.492 473 A N 0.079 122.824 122.820 -0.125 0.000 1.933 473 A HA -0.197 4.129 4.320 0.010 0.000 0.218 473 A C 2.173 179.621 177.584 -0.227 0.000 1.175 473 A CA 1.671 53.573 52.037 -0.226 0.000 0.628 473 A CB -0.774 18.113 19.000 -0.188 0.000 0.814 473 A HN 0.589 nan 8.150 nan 0.000 0.444 474 Q N -0.976 118.733 119.800 -0.153 0.000 2.079 474 Q HA -0.132 4.214 4.340 0.010 0.000 0.200 474 Q C 2.383 178.283 176.000 -0.166 0.000 0.974 474 Q CA 1.287 57.011 55.803 -0.132 0.000 0.840 474 Q CB -0.155 28.533 28.738 -0.083 0.000 0.898 474 Q HN 0.623 nan 8.270 nan 0.000 0.430 475 R N 0.419 120.809 120.500 -0.183 0.000 2.083 475 R HA -0.153 4.193 4.340 0.010 0.000 0.237 475 R C 2.243 178.291 176.300 -0.421 0.000 1.137 475 R CA 1.308 57.226 56.100 -0.303 0.000 0.951 475 R CB -0.214 29.987 30.300 -0.166 0.000 0.851 475 R HN 0.223 nan 8.270 nan 0.000 0.434 476 L N -0.276 120.775 121.223 -0.288 0.000 2.056 476 L HA -0.151 4.195 4.340 0.010 0.000 0.207 476 L C 2.507 179.354 176.870 -0.038 0.000 1.078 476 L CA 1.167 55.939 54.840 -0.114 0.000 0.749 476 L CB -0.274 41.566 42.059 -0.367 0.000 0.901 476 L HN 0.246 nan 8.230 nan 0.000 0.433 477 M N -0.578 118.926 119.600 -0.159 0.000 2.149 477 M HA -0.237 4.249 4.480 0.010 0.000 0.261 477 M C 2.264 178.566 176.300 0.002 0.000 1.064 477 M CA 1.761 56.999 55.300 -0.103 0.000 1.102 477 M CB -0.313 32.206 32.600 -0.135 0.000 1.369 477 M HN 0.098 nan 8.290 nan 0.000 0.408 478 K N -0.663 119.704 120.400 -0.056 0.000 2.097 478 K HA -0.137 4.189 4.320 0.010 0.000 0.205 478 K C 1.858 178.509 176.600 0.085 0.000 1.050 478 K CA 1.288 57.551 56.287 -0.039 0.000 0.938 478 K CB -0.075 32.342 32.500 -0.138 0.000 0.718 478 K HN 0.248 nan 8.250 nan 0.000 0.442 479 Y N -0.089 120.339 120.300 0.212 0.000 2.114 479 Y HA -0.226 4.331 4.550 0.012 0.000 0.284 479 Y C 2.237 178.250 175.900 0.189 0.000 1.143 479 Y CA 0.758 59.004 58.100 0.243 0.000 1.135 479 Y CB -0.795 37.950 38.460 0.475 0.000 0.980 479 Y HN 0.206 nan 8.280 nan 0.000 0.499 480 W N 0.698 122.068 121.300 0.116 0.000 2.335 480 W HA -0.252 4.414 4.660 0.009 0.000 0.311 480 W C 2.444 178.957 176.519 -0.010 0.000 1.213 480 W CA 2.384 59.730 57.345 0.002 0.000 1.274 480 W CB -0.671 28.713 29.460 -0.127 0.000 1.148 480 W HN 0.241 nan 8.180 nan 0.000 0.498 481 T N -2.636 112.019 114.554 0.167 0.000 3.023 481 T HA -0.086 4.270 4.350 0.010 0.000 0.266 481 T C 1.322 176.041 174.700 0.031 0.000 1.093 481 T CA 1.009 63.140 62.100 0.051 0.000 1.129 481 T CB -0.464 68.415 68.868 0.018 0.000 0.899 481 T HN -0.088 nan 8.240 nan 0.000 0.491 482 N N 0.807 119.541 118.700 0.058 0.000 2.216 482 N HA 0.073 4.819 4.740 0.010 0.000 0.183 482 N C 1.257 176.752 175.510 -0.026 0.000 1.017 482 N CA 0.666 53.727 53.050 0.020 0.000 0.861 482 N CB -0.612 37.905 38.487 0.050 0.000 0.986 482 N HN 0.467 nan 8.380 nan 0.000 0.428 483 F N 1.712 121.564 119.950 -0.163 0.000 2.146 483 F HA -0.030 4.502 4.527 0.010 0.000 0.298 483 F C 2.138 177.850 175.800 -0.147 0.000 1.096 483 F CA 1.226 59.082 58.000 -0.239 0.000 1.275 483 F CB -0.438 38.327 39.000 -0.391 0.000 1.008 483 F HN 0.024 nan 8.300 nan 0.000 0.480 484 A N 0.526 123.270 122.820 -0.127 0.000 1.908 484 A HA -0.196 4.130 4.320 0.010 0.000 0.218 484 A C 2.358 179.833 177.584 -0.183 0.000 1.181 484 A CA 1.834 53.775 52.037 -0.160 0.000 0.627 484 A CB -0.702 18.266 19.000 -0.053 0.000 0.818 484 A HN 0.464 nan 8.150 nan 0.000 0.445 485 R N -1.354 119.065 120.500 -0.135 0.000 2.093 485 R HA -0.048 4.298 4.340 0.010 0.000 0.224 485 R C 1.881 178.097 176.300 -0.139 0.000 1.101 485 R CA 1.740 57.778 56.100 -0.104 0.000 0.979 485 R CB -0.096 30.169 30.300 -0.059 0.000 0.877 485 R HN 0.731 nan 8.270 nan 0.000 0.441 486 T N -5.725 108.717 114.554 -0.186 0.000 3.041 486 T HA 0.231 4.587 4.350 0.010 0.000 0.276 486 T C 1.134 175.706 174.700 -0.213 0.000 0.948 486 T CA 0.375 62.380 62.100 -0.158 0.000 0.885 486 T CB 1.359 70.170 68.868 -0.094 0.000 1.175 486 T HN 0.290 nan 8.240 nan 0.000 0.529 487 G N 1.318 109.864 108.800 -0.423 0.000 2.148 487 G HA2 -0.166 3.800 3.960 0.010 0.000 0.254 487 G HA3 -0.166 3.800 3.960 0.010 0.000 0.254 487 G C -0.356 174.462 174.900 -0.138 0.000 0.981 487 G CA 0.221 45.032 45.100 -0.480 0.000 0.670 487 G HN 0.818 nan 8.290 nan 0.000 0.528 488 D N -0.752 119.553 120.400 -0.157 0.000 2.736 488 D HA 0.452 5.098 4.640 0.010 0.000 0.243 488 D C -1.489 174.649 176.300 -0.270 0.000 1.304 488 D CA -1.626 52.247 54.000 -0.212 0.000 0.934 488 D CB 1.982 42.746 40.800 -0.060 0.000 1.382 488 D HN -0.013 nan 8.370 nan 0.000 0.571 489 P HA -0.018 nan 4.420 nan 0.000 0.237 489 P C 0.017 177.330 177.300 0.021 0.000 1.178 489 P CA 0.119 63.036 63.100 -0.305 0.000 0.766 489 P CB 0.370 31.568 31.700 -0.837 0.000 0.876 490 N N 1.225 119.904 118.700 -0.035 0.000 2.503 490 N HA 0.037 4.783 4.740 0.010 0.000 0.267 490 N C -0.007 175.571 175.510 0.114 0.000 1.214 490 N CA 0.182 53.310 53.050 0.129 0.000 0.959 490 N CB 0.642 39.192 38.487 0.105 0.000 1.142 490 N HN 0.015 nan 8.380 nan 0.000 0.455 491 D N 1.388 121.872 120.400 0.139 0.000 2.317 491 D HA 0.125 4.771 4.640 0.010 0.000 0.252 491 D C -1.420 174.921 176.300 0.068 0.000 1.174 491 D CA -1.531 52.520 54.000 0.085 0.000 0.866 491 D CB 1.488 42.333 40.800 0.075 0.000 1.127 491 D HN 0.246 nan 8.370 nan 0.000 0.467 492 P HA -0.131 nan 4.420 nan 0.000 0.216 492 P C 1.358 178.682 177.300 0.040 0.000 1.153 492 P CA 1.109 64.233 63.100 0.040 0.000 0.848 492 P CB 0.174 31.889 31.700 0.026 0.000 0.787 493 R N -0.483 120.038 120.500 0.036 0.000 2.075 493 R HA 0.005 4.351 4.340 0.010 0.000 0.226 493 R C 0.673 176.996 176.300 0.039 0.000 1.114 493 R CA 0.833 56.952 56.100 0.032 0.000 0.972 493 R CB -1.497 28.818 30.300 0.025 0.000 0.869 493 R HN 0.005 nan 8.270 nan 0.000 0.437 494 D N 1.718 122.145 120.400 0.046 0.000 2.359 494 D HA 0.045 4.691 4.640 0.010 0.000 0.273 494 D C 0.666 177.002 176.300 0.060 0.000 1.362 494 D CA 0.566 54.597 54.000 0.051 0.000 1.010 494 D CB 1.236 42.071 40.800 0.058 0.000 1.090 494 D HN 0.487 nan 8.370 nan 0.000 0.521 495 S N 3.345 119.075 115.700 0.050 0.000 2.406 495 S HA -0.059 4.417 4.470 0.010 0.000 0.224 495 S C 2.033 176.665 174.600 0.053 0.000 1.030 495 S CA 1.275 59.506 58.200 0.051 0.000 0.958 495 S CB -0.184 63.041 63.200 0.041 0.000 0.811 495 S HN 0.477 nan 8.310 nan 0.000 0.489 496 K N 1.168 121.596 120.400 0.047 0.000 2.057 496 K HA 0.202 4.527 4.320 0.010 0.000 0.207 496 K C 1.374 178.007 176.600 0.055 0.000 1.049 496 K CA 1.204 57.517 56.287 0.044 0.000 0.931 496 K CB -1.231 31.291 32.500 0.036 0.000 0.714 496 K HN 0.414 nan 8.250 nan 0.000 0.440 497 S N 2.000 117.741 115.700 0.068 0.000 2.549 497 S HA 0.257 4.733 4.470 0.010 0.000 0.286 497 S C -2.279 172.385 174.600 0.106 0.000 1.314 497 S CA -0.989 57.265 58.200 0.091 0.000 1.062 497 S CB 1.018 64.284 63.200 0.111 0.000 0.865 497 S HN 0.471 nan 8.310 nan 0.000 0.498 498 P HA 0.121 nan 4.420 nan 0.000 0.271 498 P C -0.800 176.587 177.300 0.144 0.000 1.218 498 P CA -0.448 62.713 63.100 0.102 0.000 0.780 498 P CB 0.454 32.197 31.700 0.072 0.000 0.901 499 Q N 1.061 120.946 119.800 0.142 0.000 2.259 499 Q HA 0.162 4.508 4.340 0.010 0.000 0.249 499 Q C -0.480 175.668 176.000 0.247 0.000 0.914 499 Q CA -0.012 55.907 55.803 0.195 0.000 0.904 499 Q CB 0.912 29.751 28.738 0.169 0.000 1.213 499 Q HN 0.567 nan 8.270 nan 0.000 0.428 500 W N 6.402 127.746 121.300 0.072 0.000 2.387 500 W HA 0.288 4.954 4.660 0.009 0.000 0.310 500 W C -2.428 174.217 176.519 0.211 0.000 1.181 500 W CA -2.342 55.055 57.345 0.087 0.000 1.333 500 W CB 0.365 29.807 29.460 -0.030 0.000 1.286 500 W HN 0.388 nan 8.180 nan 0.000 0.455 501 P HA 0.294 nan 4.420 nan 0.000 0.281 501 P C -2.618 174.910 177.300 0.380 0.000 1.249 501 P CA -1.899 61.431 63.100 0.382 0.000 0.810 501 P CB 0.744 32.580 31.700 0.227 0.000 1.008 502 P HA -0.011 nan 4.420 nan 0.000 0.265 502 P C -0.571 176.738 177.300 0.016 0.000 1.187 502 P CA 0.317 63.262 63.100 -0.260 0.000 0.766 502 P CB -0.040 31.477 31.700 -0.306 0.000 0.820 503 Y N 3.488 123.751 120.300 -0.063 0.000 2.465 503 Y HA 0.302 4.860 4.550 0.014 0.000 0.331 503 Y C 0.538 176.432 175.900 -0.011 0.000 1.102 503 Y CA 0.556 58.676 58.100 0.033 0.000 1.358 503 Y CB 0.221 38.725 38.460 0.073 0.000 1.213 503 Y HN 0.406 nan 8.280 nan 0.000 0.525 504 T N 0.154 114.435 114.554 -0.455 0.000 2.907 504 T HA 0.285 4.641 4.350 0.010 0.000 0.290 504 T C 0.896 175.315 174.700 -0.469 0.000 1.066 504 T CA -0.177 61.737 62.100 -0.310 0.000 1.012 504 T CB 1.314 70.085 68.868 -0.162 0.000 1.184 504 T HN 0.624 nan 8.240 nan 0.000 0.522 505 T N -1.206 113.222 114.554 -0.210 0.000 2.896 505 T HA 0.123 4.479 4.350 0.010 0.000 0.263 505 T C 2.315 176.942 174.700 -0.122 0.000 1.050 505 T CA 0.823 62.836 62.100 -0.145 0.000 1.140 505 T CB -0.879 67.974 68.868 -0.024 0.000 0.877 505 T HN 0.865 nan 8.240 nan 0.000 0.457 506 A N 2.259 125.019 122.820 -0.099 0.000 1.849 506 A HA 0.254 4.580 4.320 0.010 0.000 0.217 506 A C 2.659 180.198 177.584 -0.076 0.000 1.202 506 A CA 2.262 54.260 52.037 -0.065 0.000 0.629 506 A CB -1.325 17.646 19.000 -0.048 0.000 0.834 506 A HN 0.865 nan 8.150 nan 0.000 0.447 507 A N -2.645 120.107 122.820 -0.112 0.000 2.288 507 A HA 0.349 4.675 4.320 0.010 0.000 0.216 507 A C 0.815 178.337 177.584 -0.104 0.000 1.199 507 A CA 0.779 52.770 52.037 -0.078 0.000 0.891 507 A CB -0.168 18.803 19.000 -0.048 0.000 0.923 507 A HN 0.570 nan 8.150 nan 0.000 0.500 508 Q N 0.059 119.684 119.800 -0.292 0.000 2.434 508 Q HA -0.235 4.111 4.340 0.010 0.000 0.299 508 Q C -0.743 175.308 176.000 0.086 0.000 1.286 508 Q CA 0.767 56.354 55.803 -0.360 0.000 0.872 508 Q CB -1.716 27.011 28.738 -0.018 0.000 1.193 508 Q HN 0.831 nan 8.270 nan 0.000 0.466 509 Q N 0.472 120.317 119.800 0.074 0.000 2.286 509 Q HA 0.467 4.813 4.340 0.010 0.000 0.257 509 Q C -0.372 175.924 176.000 0.492 0.000 0.941 509 Q CA -0.109 55.833 55.803 0.232 0.000 0.912 509 Q CB 0.583 29.395 28.738 0.124 0.000 1.192 509 Q HN 0.338 nan 8.270 nan 0.000 0.410 510 Y N -1.222 119.226 120.300 0.247 0.000 2.669 510 Y HA 0.777 5.338 4.550 0.018 0.000 0.335 510 Y C -0.894 175.030 175.900 0.040 0.000 1.116 510 Y CA -1.547 56.686 58.100 0.222 0.000 1.081 510 Y CB 0.497 39.075 38.460 0.197 0.000 1.297 510 Y HN 0.331 nan 8.280 nan 0.000 0.484 511 V N -0.822 119.045 119.914 -0.079 0.000 2.864 511 V HA 0.810 4.936 4.120 0.010 0.000 0.314 511 V C -0.325 175.684 176.094 -0.140 0.000 1.073 511 V CA -0.777 61.320 62.300 -0.340 0.000 0.956 511 V CB 1.279 32.642 31.823 -0.768 0.000 1.023 511 V HN 1.122 nan 8.190 nan 0.000 0.435 512 S N 3.237 118.852 115.700 -0.142 0.000 2.489 512 S HA 0.678 5.153 4.470 0.010 0.000 0.277 512 S C -0.423 174.141 174.600 -0.059 0.000 1.230 512 S CA -0.632 57.550 58.200 -0.029 0.000 1.053 512 S CB 0.555 63.730 63.200 -0.043 0.000 0.955 512 S HN 0.732 nan 8.310 nan 0.000 0.488 513 L N 4.350 125.589 121.223 0.026 0.000 2.272 513 L HA 0.469 4.815 4.340 0.010 0.000 0.284 513 L C -0.131 176.648 176.870 -0.151 0.000 1.045 513 L CA -0.394 54.491 54.840 0.075 0.000 0.842 513 L CB -0.254 41.964 42.059 0.266 0.000 1.224 513 L HN 0.914 nan 8.230 nan 0.000 0.430 514 N N 2.313 120.845 118.700 -0.281 0.000 3.522 514 N HA 0.330 5.076 4.740 0.010 0.000 0.328 514 N C 0.206 175.146 175.510 -0.950 0.000 1.623 514 N CA -0.927 51.685 53.050 -0.731 0.000 0.812 514 N CB 0.605 38.847 38.487 -0.410 0.000 2.008 514 N HN 0.156 nan 8.380 nan 0.000 0.601 515 L N -0.749 119.968 121.223 -0.844 0.000 2.217 515 L HA 0.135 4.481 4.340 0.010 0.000 0.211 515 L C 0.523 177.209 176.870 -0.308 0.000 1.107 515 L CA 0.821 55.272 54.840 -0.649 0.000 0.783 515 L CB -0.427 41.339 42.059 -0.488 0.000 0.919 515 L HN 0.357 nan 8.230 nan 0.000 0.442 516 K N 0.591 120.851 120.400 -0.233 0.000 2.168 516 K HA 0.248 4.574 4.320 0.010 0.000 0.258 516 K C -2.196 174.355 176.600 -0.080 0.000 1.010 516 K CA -1.911 54.302 56.287 -0.123 0.000 0.929 516 K CB -0.036 32.405 32.500 -0.098 0.000 0.998 516 K HN -0.196 nan 8.250 nan 0.000 0.479 517 P HA -0.025 nan 4.420 nan 0.000 0.269 517 P C -0.234 177.067 177.300 0.002 0.000 1.217 517 P CA -0.146 62.963 63.100 0.015 0.000 0.783 517 P CB 0.370 32.082 31.700 0.021 0.000 0.898 518 L N 1.428 122.669 121.223 0.031 0.000 2.706 518 L HA -0.111 4.235 4.340 0.010 0.000 0.282 518 L C 1.155 177.990 176.870 -0.058 0.000 1.219 518 L CA 0.919 55.738 54.840 -0.036 0.000 0.935 518 L CB -0.371 41.667 42.059 -0.035 0.000 1.204 518 L HN 0.502 nan 8.230 nan 0.000 0.491 519 E N 3.359 123.502 120.200 -0.096 0.000 2.179 519 E HA 0.408 4.764 4.350 0.010 0.000 0.275 519 E C -1.269 175.241 176.600 -0.150 0.000 0.945 519 E CA -0.803 55.539 56.400 -0.096 0.000 0.792 519 E CB 1.891 31.540 29.700 -0.085 0.000 1.125 519 E HN 0.303 nan 8.360 nan 0.000 0.397 520 V N 5.102 124.940 119.914 -0.127 0.000 2.407 520 V HA 0.424 4.550 4.120 0.010 0.000 0.278 520 V C 0.220 176.187 176.094 -0.212 0.000 1.037 520 V CA -0.338 61.866 62.300 -0.160 0.000 0.900 520 V CB 1.112 32.895 31.823 -0.066 0.000 0.983 520 V HN 0.696 nan 8.190 nan 0.000 0.459 521 R N 4.010 124.267 120.500 -0.405 0.000 2.892 521 R HA 0.759 5.105 4.340 0.010 0.000 0.265 521 R C -0.903 175.197 176.300 -0.332 0.000 1.025 521 R CA -1.052 54.787 56.100 -0.435 0.000 0.982 521 R CB 2.416 32.292 30.300 -0.705 0.000 1.185 521 R HN 0.602 nan 8.270 nan 0.000 0.484 522 R N 0.075 120.544 120.500 -0.051 0.000 2.621 522 R HA 0.516 4.862 4.340 0.010 0.000 0.292 522 R C -0.668 175.816 176.300 0.308 0.000 0.969 522 R CA -0.748 55.437 56.100 0.142 0.000 0.887 522 R CB 2.150 32.493 30.300 0.073 0.000 1.180 522 R HN 0.882 nan 8.270 nan 0.000 0.450 523 G N 2.353 111.386 108.800 0.389 0.000 3.450 523 G HA2 -0.194 3.772 3.960 0.010 0.000 0.668 523 G HA3 -0.194 3.772 3.960 0.010 0.000 0.668 523 G C -0.957 174.139 174.900 0.327 0.000 0.941 523 G CA -0.945 44.346 45.100 0.318 0.000 0.766 523 G HN 0.334 nan 8.290 nan 0.000 0.451 524 L N 4.510 125.819 121.223 0.143 0.000 2.302 524 L HA 0.456 4.801 4.340 0.010 0.000 0.285 524 L C 1.623 178.503 176.870 0.016 0.000 1.090 524 L CA -0.182 54.576 54.840 -0.137 0.000 0.866 524 L CB -0.098 41.804 42.059 -0.261 0.000 1.244 524 L HN 0.752 nan 8.230 nan 0.000 0.435 525 R N 2.637 123.182 120.500 0.076 0.000 3.301 525 R HA -0.271 4.075 4.340 0.010 0.000 0.249 525 R C 1.308 177.702 176.300 0.157 0.000 0.964 525 R CA 0.705 56.886 56.100 0.135 0.000 0.653 525 R CB -1.861 28.527 30.300 0.148 0.000 1.043 525 R HN 0.732 nan 8.270 nan 0.000 0.454 526 A N 0.398 123.309 122.820 0.152 0.000 1.877 526 A HA -0.262 4.064 4.320 0.010 0.000 0.216 526 A C 2.062 179.740 177.584 0.155 0.000 1.186 526 A CA 1.702 53.829 52.037 0.151 0.000 0.620 526 A CB -0.189 18.896 19.000 0.143 0.000 0.822 526 A HN 0.430 nan 8.150 nan 0.000 0.443 527 Q N -0.792 119.098 119.800 0.150 0.000 2.050 527 Q HA -0.097 4.249 4.340 0.010 0.000 0.202 527 Q C 2.157 178.282 176.000 0.208 0.000 0.980 527 Q CA 2.420 58.315 55.803 0.152 0.000 0.840 527 Q CB -0.795 28.017 28.738 0.123 0.000 0.898 527 Q HN 0.571 nan 8.270 nan 0.000 0.424 528 T N -0.875 113.830 114.554 0.252 0.000 2.867 528 T HA -0.110 4.246 4.350 0.010 0.000 0.268 528 T C 1.723 176.659 174.700 0.393 0.000 1.057 528 T CA 1.165 63.472 62.100 0.345 0.000 1.136 528 T CB -0.339 68.765 68.868 0.394 0.000 0.874 528 T HN 0.363 nan 8.240 nan 0.000 0.466 529 c N 1.358 120.161 118.600 0.339 0.000 2.468 529 c HA 0.298 4.874 4.570 0.010 0.000 0.277 529 c C 3.069 177.316 174.090 0.262 0.000 1.400 529 c CA -0.052 56.483 56.329 0.343 0.000 1.770 529 c CB -1.270 41.376 42.510 0.226 0.000 1.905 529 c HN 0.637 nan 8.230 nan 0.000 0.519 530 A N 0.226 123.168 122.820 0.203 0.000 1.933 530 A HA -0.204 4.122 4.320 0.010 0.000 0.218 530 A C 1.848 179.520 177.584 0.147 0.000 1.175 530 A CA 1.617 53.747 52.037 0.154 0.000 0.628 530 A CB -0.767 18.309 19.000 0.127 0.000 0.814 530 A HN 0.556 nan 8.150 nan 0.000 0.444 531 F N -0.742 119.184 119.950 -0.040 0.000 2.051 531 F HA -0.184 4.348 4.527 0.008 0.000 0.296 531 F C 1.953 177.683 175.800 -0.118 0.000 1.122 531 F CA 1.932 59.811 58.000 -0.202 0.000 1.201 531 F CB -0.564 38.015 39.000 -0.701 0.000 0.978 531 F HN 0.375 nan 8.300 nan 0.000 0.472 532 W N 0.387 121.680 121.300 -0.012 0.000 2.436 532 W HA -0.082 4.582 4.660 0.007 0.000 0.284 532 W C 2.084 178.553 176.519 -0.084 0.000 1.225 532 W CA 0.836 58.127 57.345 -0.090 0.000 1.271 532 W CB -0.511 29.026 29.460 0.127 0.000 1.114 532 W HN -0.012 nan 8.180 nan 0.000 0.559 533 N N -0.451 118.368 118.700 0.198 0.000 2.415 533 N HA 0.055 4.801 4.740 0.010 0.000 0.174 533 N C 1.483 177.022 175.510 0.048 0.000 1.048 533 N CA 0.813 53.930 53.050 0.112 0.000 0.895 533 N CB -0.127 38.429 38.487 0.115 0.000 1.036 533 N HN 0.203 nan 8.380 nan 0.000 0.449 534 R N -1.369 119.158 120.500 0.045 0.000 2.225 534 R HA 0.243 4.589 4.340 0.010 0.000 0.194 534 R C 1.309 177.629 176.300 0.034 0.000 0.949 534 R CA 0.067 56.192 56.100 0.042 0.000 1.088 534 R CB -0.040 30.306 30.300 0.076 0.000 1.106 534 R HN 0.036 nan 8.270 nan 0.000 0.566 535 F N 1.133 120.980 119.950 -0.172 0.000 2.164 535 F HA 0.083 4.616 4.527 0.010 0.000 0.287 535 F C 1.863 177.480 175.800 -0.304 0.000 1.086 535 F CA 0.700 58.566 58.000 -0.224 0.000 1.249 535 F CB -0.307 38.543 39.000 -0.249 0.000 1.059 535 F HN -0.159 nan 8.300 nan 0.000 0.490 536 L N 1.450 122.284 121.223 -0.648 0.000 2.013 536 L HA -0.164 4.182 4.340 0.010 0.000 0.212 536 L C -0.493 176.103 176.870 -0.457 0.000 1.073 536 L CA 2.427 56.847 54.840 -0.700 0.000 0.753 536 L CB -2.385 39.304 42.059 -0.617 0.000 0.890 536 L HN 0.080 nan 8.230 nan 0.000 0.432 537 P HA -0.198 nan 4.420 nan 0.000 0.216 537 P C 1.403 178.563 177.300 -0.234 0.000 1.153 537 P CA 1.492 64.477 63.100 -0.192 0.000 0.858 537 P CB -0.106 31.525 31.700 -0.116 0.000 0.789 538 K N -1.168 119.044 120.400 -0.312 0.000 2.280 538 K HA -0.067 4.259 4.320 0.010 0.000 0.202 538 K C 0.705 177.098 176.600 -0.345 0.000 1.047 538 K CA 0.714 56.825 56.287 -0.292 0.000 0.942 538 K CB -0.659 31.687 32.500 -0.258 0.000 0.739 538 K HN 0.170 nan 8.250 nan 0.000 0.457 539 L N 2.732 123.663 121.223 -0.488 0.000 2.650 539 L HA 0.002 4.348 4.340 0.010 0.000 0.239 539 L C 1.236 177.985 176.870 -0.203 0.000 1.412 539 L CA 0.389 55.030 54.840 -0.332 0.000 1.219 539 L CB -0.957 40.878 42.059 -0.373 0.000 1.534 539 L HN 0.069 nan 8.230 nan 0.000 0.430 540 L N -3.008 118.120 121.223 -0.158 0.000 2.253 540 L HA 0.312 4.658 4.340 0.010 0.000 0.205 540 L C 1.369 178.193 176.870 -0.078 0.000 1.078 540 L CA 0.507 55.285 54.840 -0.103 0.000 0.805 540 L CB -0.886 41.120 42.059 -0.089 0.000 0.963 540 L HN 0.110 nan 8.230 nan 0.000 0.459 541 S N 0.000 115.653 115.700 -0.078 0.000 2.498 541 S HA 0.000 4.476 4.470 0.010 0.000 0.327 541 S CA 0.000 58.167 58.200 -0.056 0.000 1.107 541 S CB 0.000 63.171 63.200 -0.048 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517