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 3n23_1_A DATA FIRST_RESID 25 DATA SEQUENCE MDELKKEVSM DDHKLSLDEL HRKYGTDLSR GLTPARAAEI LARDGPNALT DATA SEQUENCE PPPTTPEWVK FCRQLFGGFS MLLWIGAILC FLAYGIQAAT EEEPQNDNLY DATA SEQUENCE LGVVLSAVVI ITGCFSYYQE AKSSKIMESF KNMVPQQALV IRNGEKMSIN DATA SEQUENCE AEEVVVGDLV EVKGGDRIPA DLRIISANGC KVDNSSLTGE SEPQTRSPDF DATA SEQUENCE TNENPLETRN IAFFSTNCVE GTARGIVVYT GDRTVMGRIA TLASGLEGGQ DATA SEQUENCE TPIAAEIEHF IHIITGVAVF LGVSFFILSL ILEYTWLEAV IFLIGIIVAN DATA SEQUENCE VPEGLLATVT VCLTLTAKRM ARKNCLVKNL EAVETLGSTS TICSXKTGTL DATA SEQUENCE TQNRMTVAHM WSDNQIHEAD TTENQSGVSF DKTSATWLAL SRIAGLCNRA DATA SEQUENCE VFQANQENLP ILKRAVAGDA SESALLKCIE LCCGSVKEMR ERYTKIVEIP DATA SEQUENCE FNSTNKYQLS IHKNPNTAEP RHLLVMKGAP ERILDRCSSI LIHGKEQPLD DATA SEQUENCE EELKDAFQNA YLELGGLGER VLGFCHLFLP DEQFPEGFQF DTDDVNFPLD DATA SEQUENCE NLCFVGLISM IDPPRAAVPD AVGKCRSAGI KVIMVTGDHP ITAKAIAKGV DATA SEQUENCE GIISEGNETV EDIAARLNIP VSQVNPRDAK ACVVHGSDLK DMTSEQLDDI DATA SEQUENCE LKYHTEIVFA RTSPQQKLII VEGCQRQGAI VAVTGDGVND SPASKKADIG DATA SEQUENCE VAMGIAGSDV SKQAADMILL DDNFASIVTG VEEGRLIFDN LKKSIAYTLT DATA SEQUENCE SNIPEITPFL IFIIANIPLP LGTVTILCID LGTDMVPAIS LAYEQAESDI DATA SEQUENCE MKRQPRNPKT DKLVNEQLIS MAYGQIGMIQ ALGGFFTYFV ILAENGFLPI DATA SEQUENCE HLLGLRVNWD DRWINDVEDS YGQQWTYEQR KIVEFTCHTP FFVTIVVVQW DATA SEQUENCE ADLVICKTRR NSVFQQGMKN KILIFGLFEE TALAAFLSYC PGMGVALRMY DATA SEQUENCE PLKPTWWFCA FPYSLLIFVY DEVRKLIIRR RPGGWVEKET YY 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 25 M HA 0.000 nan 4.480 nan 0.000 0.227 25 M C 0.000 176.293 176.300 -0.012 0.000 1.140 25 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 25 M CB 0.000 32.594 32.600 -0.009 0.000 1.302 26 D N 1.283 121.674 120.400 -0.015 0.000 2.218 26 D HA -0.077 4.546 4.640 -0.027 0.000 0.204 26 D C 1.591 177.880 176.300 -0.017 0.000 0.976 26 D CA 1.379 55.368 54.000 -0.018 0.000 0.853 26 D CB -0.002 40.785 40.800 -0.021 0.000 0.939 26 D HN 0.404 nan 8.370 nan 0.000 0.481 27 E N -0.094 120.098 120.200 -0.014 0.000 2.219 27 E HA -0.153 4.181 4.350 -0.027 0.000 0.198 27 E C 1.727 178.321 176.600 -0.010 0.000 0.998 27 E CA 0.258 56.651 56.400 -0.012 0.000 0.818 27 E CB -0.188 29.507 29.700 -0.009 0.000 0.741 27 E HN 0.194 nan 8.360 nan 0.000 0.477 28 L N 0.506 121.724 121.223 -0.009 0.000 2.275 28 L HA -0.094 4.230 4.340 -0.027 0.000 0.215 28 L C 1.243 178.107 176.870 -0.010 0.000 1.119 28 L CA 1.602 56.438 54.840 -0.006 0.000 0.790 28 L CB 0.066 42.122 42.059 -0.006 0.000 0.919 28 L HN -0.059 nan 8.230 nan 0.000 0.443 29 K N -0.635 119.756 120.400 -0.016 0.000 2.404 29 K HA 0.067 4.370 4.320 -0.027 0.000 0.194 29 K C 1.109 177.695 176.600 -0.022 0.000 1.023 29 K CA 0.109 56.384 56.287 -0.021 0.000 1.094 29 K CB 0.262 32.746 32.500 -0.026 0.000 0.841 29 K HN 0.335 nan 8.250 nan 0.000 0.523 30 K N 1.282 121.671 120.400 -0.019 0.000 2.417 30 K HA 0.075 4.378 4.320 -0.027 0.000 0.196 30 K C -0.265 176.326 176.600 -0.015 0.000 1.023 30 K CA 0.352 56.626 56.287 -0.022 0.000 1.122 30 K CB 0.381 32.868 32.500 -0.022 0.000 0.850 30 K HN 0.196 nan 8.250 nan 0.000 0.521 31 E N 0.218 120.413 120.200 -0.009 0.000 2.288 31 E HA 0.223 4.557 4.350 -0.027 0.000 0.268 31 E C -0.713 175.891 176.600 0.007 0.000 0.885 31 E CA -0.751 55.650 56.400 0.001 0.000 0.767 31 E CB 2.589 32.294 29.700 0.007 0.000 1.220 31 E HN -0.223 nan 8.360 nan 0.000 0.427 32 V N 2.057 121.981 119.914 0.016 0.000 3.083 32 V HA -0.074 4.029 4.120 -0.027 0.000 0.303 32 V C 0.158 176.275 176.094 0.039 0.000 1.151 32 V CA 0.663 62.979 62.300 0.027 0.000 1.275 32 V CB 0.914 32.761 31.823 0.040 0.000 0.950 32 V HN 0.707 nan 8.190 nan 0.000 0.506 33 S N 3.928 119.659 115.700 0.053 0.000 2.707 33 S HA 0.815 5.269 4.470 -0.027 0.000 0.276 33 S C -0.373 174.294 174.600 0.112 0.000 1.179 33 S CA -0.789 57.455 58.200 0.074 0.000 0.992 33 S CB 1.449 64.697 63.200 0.079 0.000 1.030 33 S HN 0.605 nan 8.310 nan 0.000 0.554 34 M N 0.474 120.159 119.600 0.143 0.000 2.761 34 M HA 0.724 5.187 4.480 -0.027 0.000 0.305 34 M C -0.739 175.702 176.300 0.236 0.000 1.235 34 M CA -0.509 54.892 55.300 0.169 0.000 0.850 34 M CB 0.928 33.605 32.600 0.129 0.000 1.744 34 M HN 0.396 nan 8.290 nan 0.000 0.480 35 D N -0.772 119.772 120.400 0.240 0.000 2.838 35 D HA 0.389 5.012 4.640 -0.027 0.000 0.334 35 D C -1.198 175.233 176.300 0.218 0.000 1.315 35 D CA -0.163 54.002 54.000 0.274 0.000 0.917 35 D CB 1.933 42.933 40.800 0.334 0.000 1.435 35 D HN 0.869 nan 8.370 nan 0.000 0.517 36 D N -2.392 118.136 120.400 0.214 0.000 2.672 36 D HA 0.014 4.637 4.640 -0.027 0.000 0.287 36 D C 0.782 177.061 176.300 -0.034 0.000 1.559 36 D CA -0.067 53.935 54.000 0.003 0.000 0.796 36 D CB -1.217 39.569 40.800 -0.024 0.000 1.181 36 D HN 0.523 nan 8.370 nan 0.000 0.458 37 H N 0.443 119.496 119.070 -0.028 0.000 2.539 37 H HA 0.008 4.552 4.556 -0.019 0.000 0.292 37 H C 0.707 175.989 175.328 -0.078 0.000 1.069 37 H CA 0.901 56.941 56.048 -0.014 0.000 1.244 37 H CB -0.145 29.648 29.762 0.053 0.000 1.365 37 H HN 0.018 nan 8.280 nan 0.000 0.575 38 K N 0.956 121.006 120.400 -0.583 0.000 2.546 38 K HA 0.215 4.519 4.320 -0.027 0.000 0.198 38 K C -0.527 175.896 176.600 -0.295 0.000 1.028 38 K CA -0.030 55.912 56.287 -0.575 0.000 1.150 38 K CB 0.354 32.438 32.500 -0.692 0.000 0.876 38 K HN 0.317 nan 8.250 nan 0.000 0.508 39 L N 1.200 122.315 121.223 -0.180 0.000 2.317 39 L HA 0.229 4.553 4.340 -0.027 0.000 0.281 39 L C 0.510 177.339 176.870 -0.068 0.000 1.024 39 L CA -0.899 53.869 54.840 -0.120 0.000 0.810 39 L CB 1.611 43.599 42.059 -0.120 0.000 1.240 39 L HN 0.099 nan 8.230 nan 0.000 0.427 40 S N 2.082 117.749 115.700 -0.055 0.000 2.573 40 S HA 0.084 4.537 4.470 -0.027 0.000 0.277 40 S C 1.195 175.787 174.600 -0.013 0.000 1.346 40 S CA -0.576 57.609 58.200 -0.025 0.000 1.034 40 S CB 0.668 63.854 63.200 -0.023 0.000 0.879 40 S HN 0.495 nan 8.310 nan 0.000 0.528 41 L N 1.512 122.734 121.223 -0.001 0.000 2.211 41 L HA -0.149 4.175 4.340 -0.027 0.000 0.216 41 L C 2.370 179.242 176.870 0.004 0.000 1.092 41 L CA 2.275 57.117 54.840 0.003 0.000 0.767 41 L CB -1.143 40.911 42.059 -0.007 0.000 0.894 41 L HN 0.976 nan 8.230 nan 0.000 0.437 42 D N -0.405 119.993 120.400 -0.002 0.000 2.087 42 D HA -0.163 4.460 4.640 -0.027 0.000 0.201 42 D C 1.868 178.261 176.300 0.154 0.000 0.980 42 D CA 1.408 55.436 54.000 0.047 0.000 0.849 42 D CB -0.208 40.601 40.800 0.015 0.000 1.001 42 D HN 0.385 nan 8.370 nan 0.000 0.452 43 E N -0.011 120.209 120.200 0.034 0.000 2.095 43 E HA -0.255 4.079 4.350 -0.027 0.000 0.212 43 E C 2.389 178.912 176.600 -0.128 0.000 1.044 43 E CA 1.306 57.679 56.400 -0.045 0.000 0.857 43 E CB -0.509 29.143 29.700 -0.080 0.000 0.764 43 E HN 0.293 nan 8.360 nan 0.000 0.462 44 L N 0.710 121.855 121.223 -0.130 0.000 2.197 44 L HA -0.241 4.083 4.340 -0.027 0.000 0.215 44 L C 2.688 179.423 176.870 -0.225 0.000 1.095 44 L CA 1.461 56.152 54.840 -0.248 0.000 0.764 44 L CB -0.416 41.599 42.059 -0.074 0.000 0.897 44 L HN 0.382 nan 8.230 nan 0.000 0.436 45 H N -0.816 118.170 119.070 -0.140 0.000 2.465 45 H HA -0.050 4.489 4.556 -0.028 0.000 0.289 45 H C 2.151 177.435 175.328 -0.074 0.000 1.022 45 H CA 0.838 56.852 56.048 -0.057 0.000 1.340 45 H CB 0.016 29.767 29.762 -0.020 0.000 1.437 45 H HN 0.277 nan 8.280 nan 0.000 0.539 46 R N 1.107 121.301 120.500 -0.509 0.000 2.193 46 R HA -0.009 4.315 4.340 -0.027 0.000 0.213 46 R C 1.999 178.108 176.300 -0.318 0.000 1.055 46 R CA 0.408 56.206 56.100 -0.502 0.000 0.995 46 R CB 0.149 30.323 30.300 -0.211 0.000 0.893 46 R HN 0.211 nan 8.270 nan 0.000 0.459 47 K N -0.569 119.619 120.400 -0.353 0.000 2.186 47 K HA -0.071 4.232 4.320 -0.027 0.000 0.202 47 K C 0.712 177.178 176.600 -0.223 0.000 1.052 47 K CA 0.849 56.925 56.287 -0.353 0.000 0.965 47 K CB 0.260 32.434 32.500 -0.543 0.000 0.746 47 K HN 0.190 nan 8.250 nan 0.000 0.457 48 Y N -0.230 120.006 120.300 -0.107 0.000 2.458 48 Y HA 0.253 4.790 4.550 -0.022 0.000 0.256 48 Y C 0.967 176.809 175.900 -0.097 0.000 1.159 48 Y CA -0.490 57.560 58.100 -0.084 0.000 1.261 48 Y CB 0.068 38.493 38.460 -0.059 0.000 1.119 48 Y HN 0.071 nan 8.280 nan 0.000 0.524 49 G N 1.784 110.548 108.800 -0.059 0.000 2.386 49 G HA2 -0.244 3.699 3.960 -0.027 0.000 0.295 49 G HA3 -0.244 3.699 3.960 -0.027 0.000 0.295 49 G C 0.264 175.152 174.900 -0.019 0.000 0.979 49 G CA 1.123 46.160 45.100 -0.105 0.000 1.193 49 G HN 0.450 nan 8.290 nan 0.000 0.508 50 T N -1.320 113.246 114.554 0.020 0.000 2.864 50 T HA 0.594 4.928 4.350 -0.027 0.000 0.289 50 T C -1.162 173.654 174.700 0.193 0.000 1.082 50 T CA -0.236 61.923 62.100 0.098 0.000 1.009 50 T CB 2.156 71.091 68.868 0.112 0.000 1.234 50 T HN 0.141 nan 8.240 nan 0.000 0.526 51 D N 1.139 121.624 120.400 0.141 0.000 2.185 51 D HA 0.295 4.919 4.640 -0.027 0.000 0.247 51 D C 0.695 177.046 176.300 0.086 0.000 1.027 51 D CA -0.503 53.573 54.000 0.127 0.000 0.861 51 D CB 1.930 42.775 40.800 0.074 0.000 1.202 51 D HN 0.493 nan 8.370 nan 0.000 0.453 52 L N 2.652 123.903 121.223 0.046 0.000 2.307 52 L HA -0.036 4.288 4.340 -0.027 0.000 0.211 52 L C 1.654 178.532 176.870 0.013 0.000 1.099 52 L CA 0.907 55.761 54.840 0.024 0.000 0.816 52 L CB 0.075 42.123 42.059 -0.018 0.000 0.952 52 L HN 0.410 nan 8.230 nan 0.000 0.455 53 S N -2.325 113.380 115.700 0.007 0.000 2.505 53 S HA 0.187 4.641 4.470 -0.027 0.000 0.216 53 S C 1.862 176.469 174.600 0.012 0.000 1.018 53 S CA -0.606 57.597 58.200 0.006 0.000 0.911 53 S CB 0.163 63.361 63.200 -0.003 0.000 0.818 53 S HN 0.246 nan 8.310 nan 0.000 0.497 54 R N 1.569 122.081 120.500 0.019 0.000 2.121 54 R HA 0.416 4.739 4.340 -0.027 0.000 0.206 54 R C 1.181 177.496 176.300 0.024 0.000 1.094 54 R CA 1.031 57.143 56.100 0.020 0.000 1.055 54 R CB -0.793 29.520 30.300 0.023 0.000 0.964 54 R HN 0.568 nan 8.270 nan 0.000 0.473 55 G N 1.680 110.501 108.800 0.034 0.000 2.731 55 G HA2 -0.202 3.741 3.960 -0.027 0.000 0.686 55 G HA3 -0.202 3.741 3.960 -0.027 0.000 0.686 55 G C -0.273 174.647 174.900 0.033 0.000 1.395 55 G CA -0.256 44.865 45.100 0.035 0.000 0.870 55 G HN 0.127 nan 8.290 nan 0.000 0.591 56 L N -0.225 121.017 121.223 0.032 0.000 2.435 56 L HA 0.590 4.913 4.340 -0.027 0.000 0.258 56 L C 1.349 178.229 176.870 0.017 0.000 1.257 56 L CA 0.069 54.925 54.840 0.026 0.000 0.823 56 L CB -1.040 41.032 42.059 0.021 0.000 1.111 56 L HN 0.694 nan 8.230 nan 0.000 0.543 57 T N 1.006 115.569 114.554 0.014 0.000 2.856 57 T HA 0.256 4.590 4.350 -0.027 0.000 0.292 57 T C -1.615 173.088 174.700 0.006 0.000 0.980 57 T CA -0.770 61.336 62.100 0.010 0.000 1.091 57 T CB 1.172 70.046 68.868 0.010 0.000 0.936 57 T HN 0.562 nan 8.240 nan 0.000 0.503 58 P HA -0.200 nan 4.420 nan 0.000 0.218 58 P C 1.234 178.535 177.300 0.001 0.000 1.146 58 P CA 1.028 64.129 63.100 0.003 0.000 0.820 58 P CB 0.067 31.769 31.700 0.003 0.000 0.778 59 A N 0.177 122.999 122.820 0.002 0.000 1.872 59 A HA -0.112 4.191 4.320 -0.027 0.000 0.214 59 A C 2.291 179.875 177.584 0.001 0.000 1.187 59 A CA 1.063 53.101 52.037 0.002 0.000 0.614 59 A CB -0.834 18.168 19.000 0.003 0.000 0.826 59 A HN -0.053 nan 8.150 nan 0.000 0.442 60 R N 0.058 120.559 120.500 0.002 0.000 2.285 60 R HA 0.048 4.371 4.340 -0.027 0.000 0.213 60 R C 1.964 178.262 176.300 -0.003 0.000 1.068 60 R CA 1.052 57.153 56.100 0.001 0.000 1.004 60 R CB -1.063 29.239 30.300 0.004 0.000 0.873 60 R HN 0.572 nan 8.270 nan 0.000 0.467 61 A N 0.518 123.336 122.820 -0.003 0.000 1.859 61 A HA 0.145 4.448 4.320 -0.027 0.000 0.212 61 A C 2.267 179.845 177.584 -0.009 0.000 1.238 61 A CA 1.013 53.046 52.037 -0.007 0.000 0.613 61 A CB -0.768 18.229 19.000 -0.005 0.000 0.904 61 A HN 0.235 nan 8.150 nan 0.000 0.457 62 A N 0.021 122.837 122.820 -0.006 0.000 1.986 62 A HA -0.222 4.081 4.320 -0.027 0.000 0.220 62 A C 1.986 179.566 177.584 -0.007 0.000 1.171 62 A CA 2.051 54.084 52.037 -0.006 0.000 0.640 62 A CB -0.614 18.384 19.000 -0.004 0.000 0.811 62 A HN 0.741 nan 8.150 nan 0.000 0.451 63 E N 0.116 120.313 120.200 -0.006 0.000 2.001 63 E HA -0.184 4.150 4.350 -0.027 0.000 0.195 63 E C 1.671 178.266 176.600 -0.009 0.000 1.002 63 E CA 1.519 57.915 56.400 -0.006 0.000 0.819 63 E CB -0.333 29.364 29.700 -0.004 0.000 0.769 63 E HN 0.605 nan 8.360 nan 0.000 0.454 64 I N 1.521 122.084 120.570 -0.012 0.000 2.953 64 I HA -0.214 3.940 4.170 -0.027 0.000 0.271 64 I C 2.331 178.436 176.117 -0.021 0.000 1.286 64 I CA 0.301 61.590 61.300 -0.017 0.000 1.449 64 I CB -0.243 37.742 38.000 -0.025 0.000 1.086 64 I HN 0.331 nan 8.210 nan 0.000 0.483 65 L N 0.758 121.971 121.223 -0.017 0.000 2.071 65 L HA -0.053 4.271 4.340 -0.027 0.000 0.201 65 L C 2.676 179.537 176.870 -0.015 0.000 1.076 65 L CA 1.270 56.099 54.840 -0.018 0.000 0.755 65 L CB -0.240 41.810 42.059 -0.015 0.000 0.915 65 L HN 0.212 nan 8.230 nan 0.000 0.445 66 A N -0.443 122.370 122.820 -0.011 0.000 2.172 66 A HA -0.199 4.104 4.320 -0.027 0.000 0.216 66 A C 2.261 179.840 177.584 -0.009 0.000 1.154 66 A CA 1.169 53.201 52.037 -0.009 0.000 0.701 66 A CB -0.599 18.397 19.000 -0.007 0.000 0.789 66 A HN 0.461 nan 8.150 nan 0.000 0.465 67 R N -0.269 120.225 120.500 -0.009 0.000 2.061 67 R HA -0.122 4.202 4.340 -0.027 0.000 0.230 67 R C 1.099 177.394 176.300 -0.008 0.000 1.140 67 R CA 1.968 58.063 56.100 -0.007 0.000 0.940 67 R CB -0.143 30.153 30.300 -0.007 0.000 0.839 67 R HN 0.483 nan 8.270 nan 0.000 0.429 68 D N -1.555 118.838 120.400 -0.012 0.000 2.527 68 D HA 0.228 4.851 4.640 -0.027 0.000 0.249 68 D C 0.842 177.132 176.300 -0.016 0.000 1.029 68 D CA 1.352 55.345 54.000 -0.012 0.000 0.951 68 D CB 0.430 41.221 40.800 -0.015 0.000 1.093 68 D HN 0.445 nan 8.370 nan 0.000 0.464 69 G N -0.114 108.674 108.800 -0.021 0.000 2.333 69 G HA2 0.314 4.258 3.960 -0.027 0.000 0.288 69 G HA3 0.314 4.258 3.960 -0.027 0.000 0.288 69 G C -2.956 171.927 174.900 -0.028 0.000 1.286 69 G CA -0.842 44.244 45.100 -0.023 0.000 0.865 69 G HN -0.076 nan 8.290 nan 0.000 0.506 70 P HA 0.287 nan 4.420 nan 0.000 0.278 70 P C -0.627 176.643 177.300 -0.049 0.000 1.258 70 P CA -0.740 62.340 63.100 -0.034 0.000 0.811 70 P CB 0.737 32.420 31.700 -0.028 0.000 1.063 71 N N 0.670 119.338 118.700 -0.053 0.000 2.807 71 N HA 0.393 5.116 4.740 -0.027 0.000 0.259 71 N C -1.184 174.267 175.510 -0.098 0.000 1.149 71 N CA 0.013 53.014 53.050 -0.082 0.000 1.042 71 N CB -0.323 38.123 38.487 -0.069 0.000 1.367 71 N HN 0.403 nan 8.380 nan 0.000 0.516 72 A N 2.865 125.616 122.820 -0.115 0.000 2.586 72 A HA 0.345 4.649 4.320 -0.027 0.000 0.291 72 A C -1.127 176.386 177.584 -0.119 0.000 1.062 72 A CA -0.687 51.280 52.037 -0.116 0.000 0.666 72 A CB 0.797 19.765 19.000 -0.054 0.000 1.281 72 A HN 0.418 nan 8.150 nan 0.000 0.421 73 L N 2.475 123.637 121.223 -0.101 0.000 2.360 73 L HA 0.295 4.618 4.340 -0.027 0.000 0.276 73 L C 1.012 177.856 176.870 -0.043 0.000 1.121 73 L CA -0.353 54.443 54.840 -0.074 0.000 0.845 73 L CB 0.828 42.865 42.059 -0.036 0.000 1.143 73 L HN 0.945 nan 8.230 nan 0.000 0.452 74 T N 1.987 116.516 114.554 -0.042 0.000 2.923 74 T HA 0.008 4.341 4.350 -0.027 0.000 0.320 74 T C -2.268 172.420 174.700 -0.019 0.000 1.074 74 T CA -1.212 60.871 62.100 -0.029 0.000 1.131 74 T CB -0.517 68.334 68.868 -0.027 0.000 1.058 74 T HN 0.349 nan 8.240 nan 0.000 0.535 75 P HA 0.162 nan 4.420 nan 0.000 0.256 75 P C -2.234 175.061 177.300 -0.009 0.000 1.173 75 P CA -0.816 62.278 63.100 -0.010 0.000 0.768 75 P CB -0.683 31.012 31.700 -0.008 0.000 0.758 76 P HA 0.049 nan 4.420 nan 0.000 0.260 76 P C -2.110 175.184 177.300 -0.009 0.000 1.185 76 P CA -0.779 62.315 63.100 -0.009 0.000 0.763 76 P CB -0.512 31.183 31.700 -0.008 0.000 0.776 77 P HA 0.025 nan 4.420 nan 0.000 0.238 77 P C -0.428 176.868 177.300 -0.006 0.000 1.649 77 P CA 0.669 63.765 63.100 -0.006 0.000 0.960 77 P CB -0.620 31.077 31.700 -0.006 0.000 1.911 78 T N -0.985 113.564 114.554 -0.008 0.000 3.327 78 T HA 0.164 4.498 4.350 -0.027 0.000 0.244 78 T C 0.239 174.934 174.700 -0.008 0.000 1.074 78 T CA -0.200 61.894 62.100 -0.011 0.000 1.156 78 T CB -0.159 68.700 68.868 -0.017 0.000 1.087 78 T HN 0.005 nan 8.240 nan 0.000 0.575 79 T N 3.435 117.988 114.554 -0.001 0.000 3.154 79 T HA 0.402 4.736 4.350 -0.027 0.000 0.381 79 T C -1.954 172.754 174.700 0.014 0.000 1.368 79 T CA -1.020 61.082 62.100 0.002 0.000 1.155 79 T CB 0.838 69.708 68.868 0.004 0.000 1.120 79 T HN 0.196 nan 8.240 nan 0.000 0.570 80 P HA 0.602 nan 4.420 nan 0.000 0.307 80 P C 0.002 177.333 177.300 0.052 0.000 1.306 80 P CA -0.645 62.478 63.100 0.039 0.000 0.742 80 P CB 0.754 32.475 31.700 0.034 0.000 1.349 81 E N -2.613 117.645 120.200 0.097 0.000 2.422 81 E HA 0.016 4.349 4.350 -0.027 0.000 0.280 81 E C 0.236 176.986 176.600 0.249 0.000 1.091 81 E CA -0.543 55.928 56.400 0.120 0.000 0.849 81 E CB -0.006 29.768 29.700 0.123 0.000 1.353 81 E HN 0.370 nan 8.360 nan 0.000 0.449 82 W N 1.462 122.858 121.300 0.161 0.000 2.292 82 W HA -0.211 4.433 4.660 -0.027 0.000 0.304 82 W C 1.859 178.527 176.519 0.248 0.000 1.228 82 W CA 2.440 59.908 57.345 0.206 0.000 1.241 82 W CB -0.699 28.802 29.460 0.069 0.000 1.142 82 W HN 0.429 nan 8.180 nan 0.000 0.520 83 V N -0.787 119.353 119.914 0.377 0.000 2.794 83 V HA -0.279 3.824 4.120 -0.027 0.000 0.260 83 V C 2.222 178.478 176.094 0.270 0.000 1.103 83 V CA 1.900 64.349 62.300 0.248 0.000 1.125 83 V CB -0.920 30.997 31.823 0.156 0.000 0.702 83 V HN -0.125 nan 8.190 nan 0.000 0.494 84 K N 0.564 121.151 120.400 0.311 0.000 2.113 84 K HA -0.127 4.177 4.320 -0.027 0.000 0.208 84 K C 1.720 178.471 176.600 0.253 0.000 1.047 84 K CA 1.750 58.187 56.287 0.251 0.000 0.928 84 K CB -1.106 31.544 32.500 0.249 0.000 0.716 84 K HN 0.619 nan 8.250 nan 0.000 0.446 85 F N 0.404 120.457 119.950 0.170 0.000 2.176 85 F HA -0.374 4.137 4.527 -0.027 0.000 0.301 85 F C 2.661 178.508 175.800 0.079 0.000 1.071 85 F CA 1.106 59.179 58.000 0.121 0.000 1.289 85 F CB -0.632 38.391 39.000 0.038 0.000 1.028 85 F HN 0.054 nan 8.300 nan 0.000 0.494 86 C N -0.064 119.365 119.300 0.216 0.000 2.413 86 C HA -0.187 4.256 4.460 -0.027 0.000 0.276 86 C C 2.849 177.887 174.990 0.078 0.000 1.248 86 C CA 0.816 59.873 59.018 0.065 0.000 1.742 86 C CB -0.902 26.844 27.740 0.009 0.000 2.017 86 C HN 0.318 nan 8.230 nan 0.000 0.481 87 R N 0.649 121.244 120.500 0.158 0.000 2.211 87 R HA -0.103 4.221 4.340 -0.027 0.000 0.240 87 R C 1.768 178.182 176.300 0.191 0.000 1.144 87 R CA 1.018 57.256 56.100 0.229 0.000 0.992 87 R CB -0.648 29.754 30.300 0.170 0.000 0.869 87 R HN 0.649 nan 8.270 nan 0.000 0.462 88 Q N -0.023 119.862 119.800 0.141 0.000 2.444 88 Q HA 0.120 4.443 4.340 -0.027 0.000 0.206 88 Q C 1.242 177.316 176.000 0.123 0.000 0.948 88 Q CA 0.463 56.346 55.803 0.134 0.000 0.946 88 Q CB 0.380 29.200 28.738 0.137 0.000 1.027 88 Q HN 0.363 nan 8.270 nan 0.000 0.513 89 L N -1.796 119.467 121.223 0.067 0.000 3.069 89 L HA 0.249 4.573 4.340 -0.027 0.000 0.271 89 L C 0.950 177.793 176.870 -0.046 0.000 1.201 89 L CA -0.176 54.640 54.840 -0.040 0.000 1.015 89 L CB 0.030 41.932 42.059 -0.263 0.000 1.371 89 L HN -0.062 nan 8.230 nan 0.000 0.574 90 F N 1.630 121.568 119.950 -0.021 0.000 2.387 90 F HA 0.261 4.771 4.527 -0.027 0.000 0.294 90 F C 1.992 177.793 175.800 0.003 0.000 1.093 90 F CA -0.350 57.639 58.000 -0.018 0.000 1.420 90 F CB -0.072 38.920 39.000 -0.014 0.000 1.086 90 F HN 0.045 nan 8.300 nan 0.000 0.531 91 G N 0.092 109.032 108.800 0.233 0.000 2.202 91 G HA2 0.228 4.171 3.960 -0.027 0.000 0.251 91 G HA3 0.228 4.171 3.960 -0.027 0.000 0.251 91 G C 1.296 176.288 174.900 0.153 0.000 1.219 91 G CA 0.185 45.370 45.100 0.141 0.000 0.943 91 G HN 0.494 nan 8.290 nan 0.000 0.465 92 G N 2.751 111.613 108.800 0.102 0.000 2.606 92 G HA2 -0.354 3.590 3.960 -0.027 0.000 0.221 92 G HA3 -0.354 3.590 3.960 -0.027 0.000 0.221 92 G C 1.476 176.550 174.900 0.289 0.000 1.152 92 G CA 1.151 46.333 45.100 0.136 0.000 0.765 92 G HN 0.514 nan 8.290 nan 0.000 0.595 93 F N 1.797 121.801 119.950 0.091 0.000 2.069 93 F HA -0.091 4.420 4.527 -0.027 0.000 0.298 93 F C 3.141 179.009 175.800 0.113 0.000 1.113 93 F CA 1.200 59.261 58.000 0.103 0.000 1.214 93 F CB -1.077 37.972 39.000 0.082 0.000 0.978 93 F HN 0.148 nan 8.300 nan 0.000 0.474 94 S N -0.184 115.712 115.700 0.327 0.000 2.402 94 S HA -0.233 4.221 4.470 -0.027 0.000 0.233 94 S C 2.130 176.882 174.600 0.255 0.000 1.030 94 S CA 1.172 59.525 58.200 0.255 0.000 1.003 94 S CB -0.250 63.069 63.200 0.200 0.000 0.813 94 S HN 0.225 nan 8.310 nan 0.000 0.477 95 M N 0.466 120.191 119.600 0.210 0.000 2.077 95 M HA -0.016 4.448 4.480 -0.027 0.000 0.261 95 M C 2.114 178.540 176.300 0.211 0.000 1.070 95 M CA 1.238 56.646 55.300 0.180 0.000 1.125 95 M CB -1.490 31.188 32.600 0.131 0.000 1.339 95 M HN 0.258 nan 8.290 nan 0.000 0.409 96 L N 0.474 121.809 121.223 0.186 0.000 1.963 96 L HA -0.261 4.063 4.340 -0.027 0.000 0.220 96 L C 2.520 179.466 176.870 0.127 0.000 1.076 96 L CA 1.692 56.613 54.840 0.135 0.000 0.772 96 L CB -1.115 41.003 42.059 0.098 0.000 0.892 96 L HN 0.268 nan 8.230 nan 0.000 0.435 97 L N -2.405 118.895 121.223 0.129 0.000 2.064 97 L HA -0.327 3.997 4.340 -0.027 0.000 0.216 97 L C 2.438 179.358 176.870 0.083 0.000 1.077 97 L CA 1.965 56.858 54.840 0.090 0.000 0.766 97 L CB -0.712 41.414 42.059 0.112 0.000 0.890 97 L HN 0.463 nan 8.230 nan 0.000 0.435 98 W N -0.352 120.956 121.300 0.013 0.000 2.441 98 W HA -0.098 4.546 4.660 -0.027 0.000 0.302 98 W C 2.435 178.952 176.519 -0.004 0.000 1.191 98 W CA 0.823 58.163 57.345 -0.007 0.000 1.327 98 W CB -0.218 29.233 29.460 -0.015 0.000 1.128 98 W HN -0.032 nan 8.180 nan 0.000 0.522 99 I N -0.034 120.677 120.570 0.235 0.000 2.454 99 I HA -0.178 3.976 4.170 -0.027 0.000 0.254 99 I C 2.135 178.303 176.117 0.084 0.000 1.156 99 I CA 1.836 63.223 61.300 0.145 0.000 1.433 99 I CB -0.589 37.483 38.000 0.120 0.000 1.082 99 I HN 0.061 nan 8.210 nan 0.000 0.432 100 G N -0.200 108.638 108.800 0.063 0.000 2.473 100 G HA2 -0.129 3.815 3.960 -0.027 0.000 0.212 100 G HA3 -0.129 3.815 3.960 -0.027 0.000 0.212 100 G C 1.688 176.597 174.900 0.016 0.000 1.211 100 G CA 0.508 45.625 45.100 0.029 0.000 0.813 100 G HN 0.470 nan 8.290 nan 0.000 0.541 101 A N 0.109 122.914 122.820 -0.025 0.000 2.131 101 A HA 0.085 4.388 4.320 -0.027 0.000 0.220 101 A C 2.216 179.809 177.584 0.015 0.000 1.158 101 A CA 1.196 53.212 52.037 -0.035 0.000 0.665 101 A CB -0.287 18.616 19.000 -0.161 0.000 0.795 101 A HN 0.436 nan 8.150 nan 0.000 0.460 102 I N -1.355 119.199 120.570 -0.026 0.000 2.628 102 I HA -0.019 4.134 4.170 -0.027 0.000 0.255 102 I C 2.185 178.374 176.117 0.120 0.000 1.119 102 I CA 0.759 62.067 61.300 0.013 0.000 1.448 102 I CB 0.051 38.051 38.000 0.000 0.000 1.133 102 I HN 0.427 nan 8.210 nan 0.000 0.438 103 L N 0.969 122.241 121.223 0.082 0.000 2.141 103 L HA -0.191 4.133 4.340 -0.027 0.000 0.209 103 L C 2.492 179.404 176.870 0.070 0.000 1.094 103 L CA 1.754 56.636 54.840 0.071 0.000 0.763 103 L CB -0.301 41.787 42.059 0.047 0.000 0.908 103 L HN 0.579 nan 8.230 nan 0.000 0.437 104 C N -2.629 116.714 119.300 0.072 0.000 2.697 104 C HA 0.184 4.628 4.460 -0.027 0.000 0.267 104 C C 1.941 176.973 174.990 0.070 0.000 1.278 104 C CA -0.740 58.305 59.018 0.045 0.000 1.708 104 C CB -1.753 25.991 27.740 0.006 0.000 1.860 104 C HN 0.563 nan 8.230 nan 0.000 0.589 105 F N 0.507 120.444 119.950 -0.021 0.000 2.765 105 F HA 0.352 4.862 4.527 -0.027 0.000 0.302 105 F C 1.685 177.513 175.800 0.045 0.000 1.111 105 F CA 0.261 58.255 58.000 -0.011 0.000 1.359 105 F CB 0.268 39.235 39.000 -0.056 0.000 1.097 105 F HN 0.277 nan 8.300 nan 0.000 0.577 106 L N -0.932 120.390 121.223 0.165 0.000 2.609 106 L HA 0.456 4.779 4.340 -0.027 0.000 0.230 106 L C 2.111 179.023 176.870 0.070 0.000 1.064 106 L CA 1.183 56.099 54.840 0.127 0.000 0.873 106 L CB -0.621 41.501 42.059 0.106 0.000 1.139 106 L HN -0.084 nan 8.230 nan 0.000 0.490 107 A N -0.339 122.513 122.820 0.054 0.000 1.940 107 A HA -0.287 4.017 4.320 -0.027 0.000 0.219 107 A C 2.208 179.813 177.584 0.034 0.000 1.176 107 A CA 2.004 54.059 52.037 0.030 0.000 0.631 107 A CB -1.133 17.880 19.000 0.022 0.000 0.814 107 A HN 0.669 nan 8.150 nan 0.000 0.446 108 Y N 0.695 120.945 120.300 -0.084 0.000 2.181 108 Y HA -0.041 4.492 4.550 -0.027 0.000 0.288 108 Y C 2.339 178.200 175.900 -0.066 0.000 1.146 108 Y CA 1.588 59.628 58.100 -0.099 0.000 1.164 108 Y CB -0.759 37.595 38.460 -0.176 0.000 0.982 108 Y HN 0.186 nan 8.280 nan 0.000 0.515 109 G N 0.665 109.385 108.800 -0.134 0.000 2.421 109 G HA2 -0.170 3.774 3.960 -0.027 0.000 0.217 109 G HA3 -0.170 3.774 3.960 -0.027 0.000 0.217 109 G C 1.542 176.348 174.900 -0.156 0.000 1.143 109 G CA 0.912 45.890 45.100 -0.203 0.000 0.784 109 G HN 0.387 nan 8.290 nan 0.000 0.541 110 I N 0.757 121.275 120.570 -0.086 0.000 2.163 110 I HA -0.146 4.007 4.170 -0.027 0.000 0.240 110 I C 2.682 178.749 176.117 -0.083 0.000 1.081 110 I CA 1.398 62.663 61.300 -0.059 0.000 1.353 110 I CB -1.051 36.932 38.000 -0.028 0.000 1.054 110 I HN 0.295 nan 8.210 nan 0.000 0.407 111 Q N 0.697 120.435 119.800 -0.103 0.000 2.046 111 Q HA -0.116 4.208 4.340 -0.027 0.000 0.200 111 Q C 2.300 178.210 176.000 -0.150 0.000 0.975 111 Q CA 1.967 57.712 55.803 -0.098 0.000 0.836 111 Q CB -0.135 28.563 28.738 -0.067 0.000 0.896 111 Q HN 0.434 nan 8.270 nan 0.000 0.428 112 A N 0.945 123.589 122.820 -0.293 0.000 1.940 112 A HA -0.282 4.022 4.320 -0.027 0.000 0.221 112 A C 2.319 179.787 177.584 -0.193 0.000 1.190 112 A CA 2.041 53.864 52.037 -0.355 0.000 0.647 112 A CB -1.390 17.191 19.000 -0.699 0.000 0.821 112 A HN 0.608 nan 8.150 nan 0.000 0.457 113 A N -1.578 121.152 122.820 -0.150 0.000 2.084 113 A HA -0.060 4.244 4.320 -0.027 0.000 0.221 113 A C 2.137 179.687 177.584 -0.056 0.000 1.161 113 A CA 2.418 54.405 52.037 -0.083 0.000 0.653 113 A CB -0.760 18.205 19.000 -0.058 0.000 0.802 113 A HN 0.540 nan 8.150 nan 0.000 0.457 114 T N -1.799 112.720 114.554 -0.059 0.000 3.395 114 T HA 0.269 4.603 4.350 -0.027 0.000 0.230 114 T C 0.413 175.100 174.700 -0.022 0.000 0.958 114 T CA 0.686 62.768 62.100 -0.029 0.000 1.377 114 T CB 0.057 68.915 68.868 -0.018 0.000 1.124 114 T HN 0.447 nan 8.240 nan 0.000 0.425 115 E N 1.611 121.795 120.200 -0.026 0.000 2.290 115 E HA 0.207 4.540 4.350 -0.027 0.000 0.274 115 E C -1.236 175.349 176.600 -0.025 0.000 0.889 115 E CA -0.525 55.870 56.400 -0.009 0.000 0.760 115 E CB 1.239 30.953 29.700 0.023 0.000 1.206 115 E HN 0.342 nan 8.360 nan 0.000 0.419 116 E N 4.938 125.128 120.200 -0.017 0.000 1.802 116 E HA 0.057 4.390 4.350 -0.027 0.000 0.265 116 E C -0.180 176.436 176.600 0.026 0.000 1.168 116 E CA -0.006 56.391 56.400 -0.006 0.000 1.033 116 E CB 0.688 30.398 29.700 0.017 0.000 1.095 116 E HN 0.453 nan 8.360 nan 0.000 0.436 117 E N 1.936 122.152 120.200 0.028 0.000 2.110 117 E HA 0.126 4.460 4.350 -0.027 0.000 0.194 117 E C -1.456 175.170 176.600 0.043 0.000 0.944 117 E CA 0.146 56.571 56.400 0.041 0.000 0.899 117 E CB -0.906 28.822 29.700 0.047 0.000 0.907 117 E HN 0.394 nan 8.360 nan 0.000 0.473 118 P HA 0.151 nan 4.420 nan 0.000 0.241 118 P C -0.269 177.065 177.300 0.057 0.000 1.780 118 P CA 0.173 63.293 63.100 0.034 0.000 1.111 118 P CB 0.256 31.983 31.700 0.046 0.000 1.852 119 Q N 1.393 121.196 119.800 0.005 0.000 2.350 119 Q HA 0.032 4.356 4.340 -0.027 0.000 0.225 119 Q C 0.672 176.486 176.000 -0.309 0.000 0.878 119 Q CA 0.348 56.141 55.803 -0.016 0.000 0.935 119 Q CB 0.006 28.783 28.738 0.066 0.000 1.099 119 Q HN 0.062 nan 8.270 nan 0.000 0.527 120 N N 0.394 118.868 118.700 -0.377 0.000 2.405 120 N HA -0.009 4.714 4.740 -0.027 0.000 0.175 120 N C 0.366 175.675 175.510 -0.335 0.000 1.051 120 N CA 0.753 53.382 53.050 -0.702 0.000 0.899 120 N CB 0.087 38.174 38.487 -0.666 0.000 1.000 120 N HN 0.184 nan 8.380 nan 0.000 0.451 121 D N 1.331 121.621 120.400 -0.184 0.000 2.092 121 D HA 0.002 4.626 4.640 -0.027 0.000 0.203 121 D C 1.608 177.858 176.300 -0.083 0.000 0.978 121 D CA 0.963 54.900 54.000 -0.104 0.000 0.861 121 D CB -0.255 40.500 40.800 -0.075 0.000 1.005 121 D HN 0.149 nan 8.370 nan 0.000 0.450 122 N N 1.044 119.702 118.700 -0.071 0.000 2.062 122 N HA -0.112 4.612 4.740 -0.027 0.000 0.191 122 N C 2.006 177.426 175.510 -0.150 0.000 1.042 122 N CA 0.325 53.333 53.050 -0.070 0.000 0.845 122 N CB -0.675 37.810 38.487 -0.002 0.000 1.024 122 N HN 0.113 nan 8.380 nan 0.000 0.424 123 L N 1.131 122.202 121.223 -0.252 0.000 1.990 123 L HA -0.209 4.114 4.340 -0.027 0.000 0.213 123 L C 2.074 178.809 176.870 -0.226 0.000 1.072 123 L CA 1.795 56.336 54.840 -0.499 0.000 0.755 123 L CB -1.185 40.381 42.059 -0.822 0.000 0.889 123 L HN 0.218 nan 8.230 nan 0.000 0.432 124 Y N -0.299 119.830 120.300 -0.284 0.000 2.070 124 Y HA -0.351 4.182 4.550 -0.027 0.000 0.280 124 Y C 2.853 178.661 175.900 -0.153 0.000 1.148 124 Y CA 1.162 59.145 58.100 -0.195 0.000 1.125 124 Y CB -0.170 38.199 38.460 -0.152 0.000 0.975 124 Y HN 0.218 nan 8.280 nan 0.000 0.492 125 L N -0.014 121.227 121.223 0.031 0.000 2.051 125 L HA -0.258 4.066 4.340 -0.027 0.000 0.214 125 L C 2.432 179.286 176.870 -0.027 0.000 1.076 125 L CA 1.928 56.754 54.840 -0.024 0.000 0.758 125 L CB -0.873 41.157 42.059 -0.050 0.000 0.890 125 L HN 0.295 nan 8.230 nan 0.000 0.433 126 G N -1.180 107.608 108.800 -0.020 0.000 2.459 126 G HA2 -0.254 3.690 3.960 -0.027 0.000 0.217 126 G HA3 -0.254 3.690 3.960 -0.027 0.000 0.217 126 G C 1.513 176.496 174.900 0.139 0.000 1.183 126 G CA 0.967 46.139 45.100 0.119 0.000 0.776 126 G HN 0.296 nan 8.290 nan 0.000 0.552 127 V N 0.391 120.370 119.914 0.108 0.000 2.332 127 V HA -0.208 3.896 4.120 -0.027 0.000 0.248 127 V C 3.058 179.113 176.094 -0.064 0.000 1.055 127 V CA 1.621 63.948 62.300 0.046 0.000 1.038 127 V CB -0.412 31.385 31.823 -0.043 0.000 0.651 127 V HN 0.248 nan 8.190 nan 0.000 0.450 128 V N -0.099 119.763 119.914 -0.087 0.000 2.220 128 V HA -0.305 3.798 4.120 -0.027 0.000 0.246 128 V C 2.304 178.347 176.094 -0.086 0.000 1.049 128 V CA 2.442 64.682 62.300 -0.099 0.000 1.003 128 V CB -0.596 31.174 31.823 -0.089 0.000 0.634 128 V HN 0.458 nan 8.190 nan 0.000 0.444 129 L N 0.065 121.242 121.223 -0.078 0.000 2.079 129 L HA -0.212 4.111 4.340 -0.027 0.000 0.210 129 L C 2.718 179.506 176.870 -0.137 0.000 1.081 129 L CA 1.907 56.694 54.840 -0.088 0.000 0.752 129 L CB -0.970 41.041 42.059 -0.080 0.000 0.896 129 L HN 0.480 nan 8.230 nan 0.000 0.433 130 S N 0.291 115.882 115.700 -0.183 0.000 2.365 130 S HA -0.253 4.201 4.470 -0.027 0.000 0.221 130 S C 2.169 176.667 174.600 -0.170 0.000 1.037 130 S CA 1.635 59.658 58.200 -0.295 0.000 1.060 130 S CB -0.182 62.846 63.200 -0.286 0.000 0.974 130 S HN 0.447 nan 8.310 nan 0.000 0.427 131 A N 0.759 123.512 122.820 -0.111 0.000 1.933 131 A HA 0.005 4.309 4.320 -0.027 0.000 0.218 131 A C 2.385 179.948 177.584 -0.035 0.000 1.175 131 A CA 1.732 53.731 52.037 -0.064 0.000 0.628 131 A CB -1.155 17.803 19.000 -0.071 0.000 0.814 131 A HN 0.474 nan 8.150 nan 0.000 0.444 132 V N -0.177 119.707 119.914 -0.049 0.000 2.231 132 V HA -0.320 3.783 4.120 -0.027 0.000 0.250 132 V C 2.602 178.706 176.094 0.017 0.000 1.058 132 V CA 2.345 64.626 62.300 -0.032 0.000 1.022 132 V CB -0.914 30.884 31.823 -0.040 0.000 0.640 132 V HN 0.408 nan 8.190 nan 0.000 0.445 133 V N -0.317 119.624 119.914 0.045 0.000 2.278 133 V HA -0.353 3.751 4.120 -0.027 0.000 0.251 133 V C 2.145 178.345 176.094 0.177 0.000 1.062 133 V CA 2.608 65.003 62.300 0.159 0.000 1.038 133 V CB -0.640 31.357 31.823 0.290 0.000 0.646 133 V HN 0.471 nan 8.190 nan 0.000 0.447 134 I N -0.255 120.397 120.570 0.137 0.000 2.179 134 I HA -0.245 3.909 4.170 -0.027 0.000 0.242 134 I C 2.256 178.468 176.117 0.158 0.000 1.088 134 I CA 1.754 63.146 61.300 0.153 0.000 1.357 134 I CB -0.273 37.778 38.000 0.085 0.000 1.051 134 I HN 0.283 nan 8.210 nan 0.000 0.409 135 I N -0.414 120.210 120.570 0.090 0.000 2.163 135 I HA -0.202 3.952 4.170 -0.027 0.000 0.240 135 I C 2.506 178.671 176.117 0.079 0.000 1.081 135 I CA 1.536 62.882 61.300 0.077 0.000 1.353 135 I CB -1.856 36.123 38.000 -0.034 0.000 1.054 135 I HN 0.190 nan 8.210 nan 0.000 0.407 136 T N 1.671 116.241 114.554 0.026 0.000 2.721 136 T HA -0.171 4.162 4.350 -0.027 0.000 0.268 136 T C 2.026 176.824 174.700 0.163 0.000 1.038 136 T CA 1.707 63.828 62.100 0.035 0.000 1.145 136 T CB -0.992 67.909 68.868 0.055 0.000 0.858 136 T HN 0.634 nan 8.240 nan 0.000 0.459 137 G N 0.622 109.543 108.800 0.201 0.000 2.459 137 G HA2 -0.264 3.679 3.960 -0.027 0.000 0.217 137 G HA3 -0.264 3.679 3.960 -0.027 0.000 0.217 137 G C 1.902 176.970 174.900 0.280 0.000 1.183 137 G CA 1.113 46.356 45.100 0.238 0.000 0.776 137 G HN 0.587 nan 8.290 nan 0.000 0.552 138 C N 0.040 119.548 119.300 0.346 0.000 2.398 138 C HA -0.059 4.384 4.460 -0.027 0.000 0.276 138 C C 2.537 177.817 174.990 0.483 0.000 1.222 138 C CA 0.525 59.794 59.018 0.417 0.000 1.746 138 C CB -1.448 26.538 27.740 0.409 0.000 2.039 138 C HN 0.446 nan 8.230 nan 0.000 0.470 139 F N 0.495 120.538 119.950 0.154 0.000 2.451 139 F HA -0.122 4.389 4.527 -0.027 0.000 0.299 139 F C 2.577 178.548 175.800 0.284 0.000 1.101 139 F CA 0.863 58.975 58.000 0.187 0.000 1.436 139 F CB -0.114 38.938 39.000 0.087 0.000 1.074 139 F HN 0.174 nan 8.300 nan 0.000 0.553 140 S N -1.720 114.199 115.700 0.365 0.000 2.483 140 S HA -0.074 4.380 4.470 -0.027 0.000 0.221 140 S C 1.473 176.144 174.600 0.120 0.000 1.030 140 S CA -0.073 58.251 58.200 0.207 0.000 0.925 140 S CB -0.073 63.225 63.200 0.163 0.000 0.795 140 S HN 0.514 nan 8.310 nan 0.000 0.511 141 Y N 0.843 121.150 120.300 0.011 0.000 2.448 141 Y HA 0.049 4.582 4.550 -0.027 0.000 0.289 141 Y C 1.836 177.715 175.900 -0.035 0.000 1.114 141 Y CA 0.831 58.843 58.100 -0.147 0.000 1.235 141 Y CB -0.254 37.893 38.460 -0.521 0.000 1.045 141 Y HN 0.445 nan 8.280 nan 0.000 0.554 142 Y N -0.129 120.163 120.300 -0.014 0.000 2.509 142 Y HA -0.000 4.534 4.550 -0.027 0.000 0.293 142 Y C 2.019 177.805 175.900 -0.188 0.000 1.133 142 Y CA 0.960 59.005 58.100 -0.092 0.000 1.283 142 Y CB -0.281 38.163 38.460 -0.027 0.000 1.001 142 Y HN 0.142 nan 8.280 nan 0.000 0.555 143 Q N 1.495 120.981 119.800 -0.523 0.000 1.965 143 Q HA -0.159 4.165 4.340 -0.027 0.000 0.200 143 Q C 1.831 177.568 176.000 -0.437 0.000 0.981 143 Q CA 2.049 57.501 55.803 -0.585 0.000 0.834 143 Q CB -0.431 28.165 28.738 -0.235 0.000 0.900 143 Q HN 0.493 nan 8.270 nan 0.000 0.426 144 E N -0.684 119.308 120.200 -0.347 0.000 2.461 144 E HA 0.069 4.403 4.350 -0.027 0.000 0.196 144 E C 0.442 176.817 176.600 -0.376 0.000 1.129 144 E CA 0.645 56.864 56.400 -0.303 0.000 0.902 144 E CB -0.266 29.297 29.700 -0.229 0.000 0.963 144 E HN 0.367 nan 8.360 nan 0.000 0.503 145 A N 0.088 122.630 122.820 -0.464 0.000 1.969 145 A HA 0.116 4.420 4.320 -0.027 0.000 0.205 145 A C 1.780 179.201 177.584 -0.272 0.000 1.364 145 A CA 0.102 51.897 52.037 -0.404 0.000 0.756 145 A CB 0.061 18.759 19.000 -0.504 0.000 0.988 145 A HN 0.041 nan 8.150 nan 0.000 0.490 146 K N 0.609 120.818 120.400 -0.318 0.000 2.097 146 K HA -0.045 4.258 4.320 -0.027 0.000 0.206 146 K C 2.157 178.639 176.600 -0.197 0.000 1.049 146 K CA 1.380 57.519 56.287 -0.246 0.000 0.933 146 K CB -0.726 31.574 32.500 -0.333 0.000 0.717 146 K HN 0.390 nan 8.250 nan 0.000 0.442 147 S N 0.924 116.490 115.700 -0.223 0.000 2.368 147 S HA -0.103 4.351 4.470 -0.027 0.000 0.225 147 S C 1.976 176.512 174.600 -0.107 0.000 1.030 147 S CA 1.504 59.611 58.200 -0.154 0.000 0.999 147 S CB -0.022 63.082 63.200 -0.161 0.000 0.844 147 S HN 0.293 nan 8.310 nan 0.000 0.459 148 S N 1.592 117.219 115.700 -0.123 0.000 2.349 148 S HA -0.062 4.392 4.470 -0.027 0.000 0.216 148 S C 1.949 176.515 174.600 -0.057 0.000 1.033 148 S CA 1.020 59.167 58.200 -0.087 0.000 1.021 148 S CB -0.475 62.663 63.200 -0.105 0.000 0.968 148 S HN 0.306 nan 8.310 nan 0.000 0.426 149 K N 1.220 121.578 120.400 -0.071 0.000 2.089 149 K HA 0.021 4.325 4.320 -0.027 0.000 0.210 149 K C 1.757 178.335 176.600 -0.037 0.000 1.048 149 K CA 0.879 57.136 56.287 -0.051 0.000 0.926 149 K CB -0.859 31.605 32.500 -0.059 0.000 0.714 149 K HN 0.273 nan 8.250 nan 0.000 0.448 150 I N 0.197 120.740 120.570 -0.045 0.000 2.756 150 I HA -0.122 4.031 4.170 -0.027 0.000 0.262 150 I C 1.793 177.936 176.117 0.043 0.000 1.225 150 I CA 1.027 62.309 61.300 -0.030 0.000 1.472 150 I CB -0.495 37.480 38.000 -0.042 0.000 1.094 150 I HN 0.219 nan 8.210 nan 0.000 0.454 151 M N -1.130 118.511 119.600 0.068 0.000 2.306 151 M HA 0.094 4.558 4.480 -0.027 0.000 0.292 151 M C 1.140 177.530 176.300 0.150 0.000 1.018 151 M CA 0.268 55.675 55.300 0.177 0.000 1.007 151 M CB 0.443 33.088 32.600 0.075 0.000 1.510 151 M HN -0.063 nan 8.290 nan 0.000 0.537 152 E N 0.262 120.504 120.200 0.070 0.000 2.340 152 E HA 0.094 4.428 4.350 -0.027 0.000 0.194 152 E C 1.224 177.854 176.600 0.050 0.000 0.996 152 E CA 0.659 57.086 56.400 0.046 0.000 0.869 152 E CB 0.425 30.127 29.700 0.003 0.000 0.835 152 E HN 0.481 nan 8.360 nan 0.000 0.493 153 S N 0.106 115.821 115.700 0.025 0.000 2.710 153 S HA 0.161 4.615 4.470 -0.027 0.000 0.224 153 S C 0.586 175.160 174.600 -0.043 0.000 0.948 153 S CA -0.387 57.799 58.200 -0.024 0.000 0.949 153 S CB -0.299 62.855 63.200 -0.076 0.000 0.778 153 S HN -0.053 nan 8.310 nan 0.000 0.498 154 F N 2.227 122.160 119.950 -0.027 0.000 2.139 154 F HA 0.441 4.952 4.527 -0.027 0.000 0.273 154 F C 0.764 176.553 175.800 -0.019 0.000 1.058 154 F CA -1.095 56.891 58.000 -0.024 0.000 1.149 154 F CB 0.355 39.339 39.000 -0.027 0.000 1.739 154 F HN -0.165 nan 8.300 nan 0.000 0.536 155 K N 2.032 122.671 120.400 0.397 0.000 2.250 155 K HA 0.006 4.310 4.320 -0.027 0.000 0.277 155 K C -0.513 176.150 176.600 0.105 0.000 1.091 155 K CA 0.260 56.657 56.287 0.182 0.000 1.046 155 K CB -1.124 31.470 32.500 0.157 0.000 0.982 155 K HN 0.286 nan 8.250 nan 0.000 0.429 156 N N 2.544 121.289 118.700 0.075 0.000 2.475 156 N HA 0.000 4.724 4.740 -0.027 0.000 0.267 156 N C -0.239 175.292 175.510 0.034 0.000 1.169 156 N CA -0.091 52.988 53.050 0.047 0.000 0.947 156 N CB 0.487 38.995 38.487 0.035 0.000 1.061 156 N HN 0.298 nan 8.380 nan 0.000 0.466 157 M N 3.121 122.736 119.600 0.026 0.000 2.184 157 M HA 0.088 4.552 4.480 -0.027 0.000 0.351 157 M C -0.926 175.388 176.300 0.024 0.000 1.395 157 M CA -0.101 55.212 55.300 0.022 0.000 1.117 157 M CB 0.463 33.074 32.600 0.018 0.000 1.708 157 M HN 0.119 nan 8.290 nan 0.000 0.468 158 V N 8.219 128.147 119.914 0.023 0.000 2.304 158 V HA 0.384 4.487 4.120 -0.027 0.000 0.278 158 V C -1.971 174.138 176.094 0.026 0.000 1.018 158 V CA -1.654 60.660 62.300 0.023 0.000 0.814 158 V CB 0.489 32.324 31.823 0.019 0.000 1.021 158 V HN 0.742 nan 8.190 nan 0.000 0.440 159 P HA 0.140 nan 4.420 nan 0.000 0.264 159 P C 0.014 177.332 177.300 0.031 0.000 1.183 159 P CA 0.237 63.360 63.100 0.038 0.000 0.763 159 P CB 0.557 32.281 31.700 0.041 0.000 0.807 160 Q N 1.285 121.104 119.800 0.033 0.000 2.514 160 Q HA 0.394 4.718 4.340 -0.027 0.000 0.169 160 Q C -0.194 175.822 176.000 0.027 0.000 1.027 160 Q CA -0.918 54.901 55.803 0.027 0.000 0.988 160 Q CB 0.399 29.152 28.738 0.025 0.000 2.123 160 Q HN 0.439 nan 8.270 nan 0.000 0.480 161 Q N -0.413 119.401 119.800 0.023 0.000 2.266 161 Q HA 0.738 5.061 4.340 -0.027 0.000 0.261 161 Q C -1.304 174.710 176.000 0.023 0.000 0.985 161 Q CA -0.913 54.903 55.803 0.021 0.000 0.873 161 Q CB 1.731 30.479 28.738 0.016 0.000 1.306 161 Q HN 0.551 nan 8.270 nan 0.000 0.447 162 A N 1.518 124.351 122.820 0.023 0.000 2.281 162 A HA 0.672 4.975 4.320 -0.027 0.000 0.329 162 A C -1.218 176.377 177.584 0.018 0.000 1.122 162 A CA -0.652 51.399 52.037 0.024 0.000 0.850 162 A CB 0.900 19.916 19.000 0.027 0.000 1.207 162 A HN 0.547 nan 8.150 nan 0.000 0.495 163 L N 1.780 123.014 121.223 0.018 0.000 2.295 163 L HA 0.527 4.851 4.340 -0.027 0.000 0.281 163 L C -0.146 176.732 176.870 0.013 0.000 1.018 163 L CA -0.199 54.650 54.840 0.014 0.000 0.841 163 L CB 1.145 43.213 42.059 0.015 0.000 1.218 163 L HN 0.681 nan 8.230 nan 0.000 0.424 164 V N 2.489 122.410 119.914 0.011 0.000 2.919 164 V HA 0.669 4.773 4.120 -0.027 0.000 0.316 164 V C -0.312 175.788 176.094 0.010 0.000 1.077 164 V CA -0.747 61.558 62.300 0.009 0.000 0.977 164 V CB 2.370 34.197 31.823 0.006 0.000 1.039 164 V HN 0.405 nan 8.190 nan 0.000 0.441 165 I N 2.659 123.236 120.570 0.011 0.000 2.371 165 I HA 0.563 4.716 4.170 -0.027 0.000 0.282 165 I C -0.097 176.027 176.117 0.013 0.000 1.031 165 I CA -0.228 61.079 61.300 0.012 0.000 1.180 165 I CB 0.824 38.833 38.000 0.014 0.000 1.336 165 I HN 0.744 nan 8.210 nan 0.000 0.467 166 R N 5.338 125.845 120.500 0.011 0.000 2.409 166 R HA 0.403 4.726 4.340 -0.027 0.000 0.313 166 R C -0.055 176.252 176.300 0.011 0.000 0.953 166 R CA -0.589 55.517 56.100 0.011 0.000 0.849 166 R CB 0.967 31.272 30.300 0.008 0.000 1.171 166 R HN 0.454 nan 8.270 nan 0.000 0.458 167 N N 1.720 120.428 118.700 0.014 0.000 2.818 167 N HA -0.169 4.554 4.740 -0.027 0.000 0.250 167 N C 0.670 176.187 175.510 0.011 0.000 1.108 167 N CA 1.492 54.550 53.050 0.012 0.000 0.745 167 N CB -0.971 37.522 38.487 0.010 0.000 1.104 167 N HN 1.077 nan 8.380 nan 0.000 0.557 168 G N -1.301 107.507 108.800 0.012 0.000 2.234 168 G HA2 -0.328 3.616 3.960 -0.027 0.000 0.260 168 G HA3 -0.328 3.616 3.960 -0.027 0.000 0.260 168 G C -0.203 174.702 174.900 0.009 0.000 0.987 168 G CA 0.640 45.746 45.100 0.010 0.000 0.625 168 G HN 0.417 nan 8.290 nan 0.000 0.532 169 E N 1.336 121.541 120.200 0.009 0.000 2.259 169 E HA 0.367 4.701 4.350 -0.027 0.000 0.281 169 E C 0.560 177.165 176.600 0.009 0.000 1.027 169 E CA -0.288 56.117 56.400 0.008 0.000 0.838 169 E CB 0.944 30.648 29.700 0.007 0.000 1.066 169 E HN 0.709 nan 8.360 nan 0.000 0.401 170 K N 3.111 123.516 120.400 0.008 0.000 2.172 170 K HA 0.576 4.879 4.320 -0.027 0.000 0.276 170 K C 0.058 176.663 176.600 0.008 0.000 1.013 170 K CA -0.408 55.885 56.287 0.009 0.000 0.913 170 K CB 1.143 33.648 32.500 0.009 0.000 1.055 170 K HN 0.290 nan 8.250 nan 0.000 0.461 171 M N 0.942 120.547 119.600 0.009 0.000 2.664 171 M HA 0.303 4.767 4.480 -0.027 0.000 0.279 171 M C -0.993 175.312 176.300 0.009 0.000 1.275 171 M CA -1.081 54.223 55.300 0.008 0.000 0.829 171 M CB 2.368 34.972 32.600 0.007 0.000 1.727 171 M HN 0.810 nan 8.290 nan 0.000 0.459 172 S N 1.612 117.318 115.700 0.009 0.000 2.482 172 S HA 0.936 5.389 4.470 -0.027 0.000 0.303 172 S C -0.639 173.966 174.600 0.009 0.000 1.091 172 S CA -0.731 57.475 58.200 0.010 0.000 1.057 172 S CB 1.598 64.805 63.200 0.011 0.000 1.031 172 S HN 0.761 nan 8.310 nan 0.000 0.485 173 I N -0.940 119.635 120.570 0.010 0.000 3.279 173 I HA 0.624 4.777 4.170 -0.027 0.000 0.315 173 I C -0.798 175.325 176.117 0.010 0.000 1.187 173 I CA -1.286 60.019 61.300 0.008 0.000 0.953 173 I CB 1.666 39.669 38.000 0.005 0.000 1.279 173 I HN 0.604 nan 8.210 nan 0.000 0.465 174 N N 2.054 120.758 118.700 0.007 0.000 2.411 174 N HA 0.104 4.828 4.740 -0.027 0.000 0.261 174 N C 0.905 176.419 175.510 0.008 0.000 1.248 174 N CA 0.986 54.041 53.050 0.008 0.000 0.885 174 N CB 1.511 40.000 38.487 0.004 0.000 1.062 174 N HN 0.810 nan 8.380 nan 0.000 0.471 175 A N 3.959 126.788 122.820 0.014 0.000 2.076 175 A HA -0.154 4.149 4.320 -0.027 0.000 0.220 175 A C 1.672 179.256 177.584 0.001 0.000 1.160 175 A CA 1.378 53.425 52.037 0.016 0.000 0.653 175 A CB -0.436 18.585 19.000 0.035 0.000 0.801 175 A HN 0.888 nan 8.150 nan 0.000 0.455 176 E N -0.430 119.768 120.200 -0.005 0.000 2.347 176 E HA -0.116 4.218 4.350 -0.027 0.000 0.196 176 E C 1.281 177.870 176.600 -0.019 0.000 1.008 176 E CA 0.794 57.184 56.400 -0.017 0.000 0.852 176 E CB -0.030 29.661 29.700 -0.014 0.000 0.783 176 E HN 0.750 nan 8.360 nan 0.000 0.505 177 E N 0.392 120.585 120.200 -0.012 0.000 2.474 177 E HA 0.026 4.359 4.350 -0.027 0.000 0.194 177 E C -0.094 176.496 176.600 -0.016 0.000 1.041 177 E CA -0.128 56.265 56.400 -0.012 0.000 0.874 177 E CB 0.722 30.418 29.700 -0.007 0.000 0.914 177 E HN -0.034 nan 8.360 nan 0.000 0.498 178 V N 2.811 122.715 119.914 -0.017 0.000 2.485 178 V HA 0.009 4.112 4.120 -0.027 0.000 0.287 178 V C 0.343 176.415 176.094 -0.036 0.000 1.022 178 V CA -0.044 62.243 62.300 -0.021 0.000 1.067 178 V CB 0.597 32.412 31.823 -0.014 0.000 0.967 178 V HN -0.083 nan 8.190 nan 0.000 0.479 179 V N 4.817 124.705 119.914 -0.043 0.000 3.096 179 V HA 0.439 4.542 4.120 -0.027 0.000 0.319 179 V C 0.130 176.166 176.094 -0.096 0.000 1.103 179 V CA -1.036 61.229 62.300 -0.059 0.000 1.016 179 V CB 1.834 33.627 31.823 -0.050 0.000 1.090 179 V HN 0.450 nan 8.190 nan 0.000 0.449 180 V N 2.222 122.058 119.914 -0.130 0.000 2.324 180 V HA 0.533 4.636 4.120 -0.027 0.000 0.244 180 V C 1.215 177.116 176.094 -0.322 0.000 1.144 180 V CA 1.443 63.595 62.300 -0.247 0.000 1.158 180 V CB -0.810 30.855 31.823 -0.262 0.000 1.254 180 V HN 1.311 nan 8.190 nan 0.000 0.492 181 G N 3.671 112.307 108.800 -0.274 0.000 3.509 181 G HA2 -0.092 3.852 3.960 -0.027 0.000 0.220 181 G HA3 -0.092 3.852 3.960 -0.027 0.000 0.220 181 G C -0.220 174.652 174.900 -0.048 0.000 0.951 181 G CA -0.156 44.837 45.100 -0.178 0.000 0.844 181 G HN 0.704 nan 8.290 nan 0.000 0.568 182 D N 0.870 121.240 120.400 -0.050 0.000 2.329 182 D HA 0.565 5.188 4.640 -0.027 0.000 0.246 182 D C 0.179 176.478 176.300 -0.001 0.000 1.111 182 D CA -0.801 53.191 54.000 -0.013 0.000 0.941 182 D CB 1.395 42.186 40.800 -0.014 0.000 1.169 182 D HN 0.143 nan 8.370 nan 0.000 0.441 183 L N 0.908 122.139 121.223 0.013 0.000 2.331 183 L HA 0.382 4.706 4.340 -0.027 0.000 0.278 183 L C -0.904 175.973 176.870 0.012 0.000 1.106 183 L CA -0.321 54.530 54.840 0.018 0.000 0.824 183 L CB 1.154 43.227 42.059 0.023 0.000 1.142 183 L HN 0.331 nan 8.230 nan 0.000 0.443 184 V N 4.853 124.774 119.914 0.012 0.000 2.588 184 V HA 0.408 4.511 4.120 -0.027 0.000 0.304 184 V C -0.453 175.650 176.094 0.015 0.000 1.042 184 V CA -0.770 61.538 62.300 0.013 0.000 0.877 184 V CB 1.741 33.572 31.823 0.013 0.000 0.996 184 V HN 0.797 nan 8.190 nan 0.000 0.425 185 E N 4.073 124.282 120.200 0.016 0.000 2.092 185 E HA 0.595 4.929 4.350 -0.027 0.000 0.271 185 E C -0.839 175.771 176.600 0.017 0.000 0.919 185 E CA -0.499 55.911 56.400 0.016 0.000 0.760 185 E CB 1.866 31.575 29.700 0.014 0.000 1.106 185 E HN 0.649 nan 8.360 nan 0.000 0.408 186 V N 2.285 122.210 119.914 0.018 0.000 2.732 186 V HA 0.713 4.817 4.120 -0.027 0.000 0.310 186 V C -0.663 175.441 176.094 0.017 0.000 1.053 186 V CA -0.516 61.796 62.300 0.019 0.000 0.957 186 V CB 1.459 33.295 31.823 0.022 0.000 1.018 186 V HN 0.808 nan 8.190 nan 0.000 0.452 187 K N 2.313 122.723 120.400 0.016 0.000 2.283 187 K HA 0.785 5.088 4.320 -0.027 0.000 0.257 187 K C 0.051 176.658 176.600 0.013 0.000 1.066 187 K CA -0.499 55.796 56.287 0.014 0.000 0.891 187 K CB 1.513 34.020 32.500 0.013 0.000 1.438 187 K HN 1.020 nan 8.250 nan 0.000 0.464 188 G N -0.685 108.122 108.800 0.011 0.000 2.439 188 G HA2 0.435 4.378 3.960 -0.027 0.000 0.298 188 G HA3 0.435 4.378 3.960 -0.027 0.000 0.298 188 G C 0.532 175.437 174.900 0.009 0.000 1.044 188 G CA 0.289 45.394 45.100 0.009 0.000 1.168 188 G HN 0.946 nan 8.290 nan 0.000 0.433 189 G N 2.853 111.658 108.800 0.009 0.000 3.709 189 G HA2 -0.166 3.778 3.960 -0.027 0.000 0.196 189 G HA3 -0.166 3.778 3.960 -0.027 0.000 0.196 189 G C 0.343 175.248 174.900 0.010 0.000 1.177 189 G CA 0.293 45.398 45.100 0.009 0.000 0.906 189 G HN 0.957 nan 8.290 nan 0.000 0.416 190 D N 0.809 121.216 120.400 0.012 0.000 2.398 190 D HA 0.628 5.252 4.640 -0.027 0.000 0.264 190 D C 0.772 177.080 176.300 0.014 0.000 1.263 190 D CA -0.246 53.763 54.000 0.015 0.000 1.037 190 D CB 0.364 41.175 40.800 0.019 0.000 1.101 190 D HN 0.806 nan 8.370 nan 0.000 0.551 191 R N -1.573 118.938 120.500 0.019 0.000 2.912 191 R HA 0.532 4.856 4.340 -0.027 0.000 0.262 191 R C -0.543 175.779 176.300 0.037 0.000 1.057 191 R CA -1.105 55.004 56.100 0.015 0.000 0.981 191 R CB 0.657 30.958 30.300 0.002 0.000 1.201 191 R HN 0.314 nan 8.270 nan 0.000 0.484 192 I N 2.256 122.851 120.570 0.041 0.000 2.406 192 I HA 0.117 4.270 4.170 -0.027 0.000 0.293 192 I C -1.712 174.496 176.117 0.151 0.000 1.101 192 I CA -2.650 58.698 61.300 0.080 0.000 1.334 192 I CB 0.404 38.455 38.000 0.084 0.000 1.421 192 I HN 0.506 nan 8.210 nan 0.000 0.513 193 P HA -0.076 nan 4.420 nan 0.000 0.216 193 P C 0.368 177.770 177.300 0.171 0.000 1.150 193 P CA 1.284 64.466 63.100 0.137 0.000 0.837 193 P CB 0.552 32.295 31.700 0.072 0.000 0.786 194 A N -2.086 120.829 122.820 0.158 0.000 2.493 194 A HA 0.439 4.742 4.320 -0.027 0.000 0.300 194 A C -1.570 176.106 177.584 0.154 0.000 1.152 194 A CA -0.638 51.478 52.037 0.132 0.000 0.643 194 A CB 0.099 19.119 19.000 0.033 0.000 1.316 194 A HN -0.256 nan 8.150 nan 0.000 0.469 195 D N 1.074 121.562 120.400 0.146 0.000 2.343 195 D HA 0.526 5.149 4.640 -0.027 0.000 0.255 195 D C -0.494 175.820 176.300 0.022 0.000 1.187 195 D CA 0.775 54.851 54.000 0.126 0.000 0.875 195 D CB 0.545 41.497 40.800 0.252 0.000 1.136 195 D HN 0.411 nan 8.370 nan 0.000 0.469 196 L N 2.035 123.232 121.223 -0.042 0.000 2.319 196 L HA 0.535 4.859 4.340 -0.027 0.000 0.267 196 L C 0.391 177.215 176.870 -0.076 0.000 1.011 196 L CA -1.016 53.795 54.840 -0.048 0.000 0.818 196 L CB 1.936 43.978 42.059 -0.028 0.000 1.316 196 L HN 0.024 nan 8.230 nan 0.000 0.432 197 R N 3.062 123.547 120.500 -0.025 0.000 2.363 197 R HA 0.352 4.675 4.340 -0.027 0.000 0.297 197 R C -0.684 175.629 176.300 0.021 0.000 1.208 197 R CA -0.869 55.233 56.100 0.003 0.000 1.121 197 R CB 0.328 30.658 30.300 0.050 0.000 1.124 197 R HN 0.444 nan 8.270 nan 0.000 0.561 198 I N 6.055 126.631 120.570 0.010 0.000 2.948 198 I HA -0.144 4.010 4.170 -0.027 0.000 0.303 198 I C 1.722 177.859 176.117 0.034 0.000 1.224 198 I CA 0.737 62.049 61.300 0.020 0.000 1.442 198 I CB 0.111 38.123 38.000 0.019 0.000 1.328 198 I HN 0.625 nan 8.210 nan 0.000 0.578 199 I N 0.998 121.586 120.570 0.030 0.000 4.557 199 I HA 0.323 4.476 4.170 -0.027 0.000 0.333 199 I C 0.358 176.488 176.117 0.021 0.000 1.332 199 I CA -0.018 61.300 61.300 0.029 0.000 1.240 199 I CB 0.996 39.013 38.000 0.028 0.000 1.312 199 I HN 0.471 nan 8.210 nan 0.000 0.457 200 S N 1.240 116.952 115.700 0.020 0.000 2.548 200 S HA 0.839 5.293 4.470 -0.027 0.000 0.278 200 S C -1.371 173.239 174.600 0.017 0.000 1.150 200 S CA 0.190 58.400 58.200 0.016 0.000 0.907 200 S CB 1.854 65.062 63.200 0.013 0.000 1.108 200 S HN 0.663 nan 8.310 nan 0.000 0.459 201 A N 3.819 126.649 122.820 0.016 0.000 2.530 201 A HA 0.658 4.961 4.320 -0.027 0.000 0.297 201 A C -1.808 175.786 177.584 0.017 0.000 1.059 201 A CA -0.799 51.248 52.037 0.017 0.000 0.782 201 A CB 1.162 20.174 19.000 0.020 0.000 1.301 201 A HN 0.620 nan 8.150 nan 0.000 0.394 202 N N 1.331 120.041 118.700 0.017 0.000 2.564 202 N HA 0.499 5.222 4.740 -0.027 0.000 0.248 202 N C 0.519 176.042 175.510 0.022 0.000 0.986 202 N CA 0.712 53.772 53.050 0.017 0.000 0.921 202 N CB 1.614 40.109 38.487 0.014 0.000 1.136 202 N HN 1.784 nan 8.380 nan 0.000 0.509 203 G N 1.577 110.393 108.800 0.028 0.000 2.371 203 G HA2 -0.259 3.685 3.960 -0.027 0.000 0.299 203 G HA3 -0.259 3.685 3.960 -0.027 0.000 0.299 203 G C 0.062 174.980 174.900 0.029 0.000 1.014 203 G CA -0.046 45.076 45.100 0.036 0.000 1.097 203 G HN 0.645 nan 8.290 nan 0.000 0.512 204 C N 0.833 120.149 119.300 0.027 0.000 2.239 204 C HA 0.776 5.220 4.460 -0.027 0.000 0.325 204 C C 0.559 175.565 174.990 0.025 0.000 1.231 204 C CA -0.983 58.050 59.018 0.024 0.000 1.652 204 C CB 0.146 27.899 27.740 0.023 0.000 2.284 204 C HN 0.603 nan 8.230 nan 0.000 0.499 205 K N 2.758 123.171 120.400 0.021 0.000 2.211 205 K HA 0.896 5.199 4.320 -0.027 0.000 0.237 205 K C -0.782 175.832 176.600 0.024 0.000 1.002 205 K CA -0.445 55.856 56.287 0.022 0.000 0.885 205 K CB 1.823 34.331 32.500 0.013 0.000 1.136 205 K HN 0.486 nan 8.250 nan 0.000 0.448 206 V N -0.322 119.609 119.914 0.028 0.000 3.253 206 V HA 0.347 4.451 4.120 -0.027 0.000 0.300 206 V C -1.985 174.124 176.094 0.026 0.000 1.398 206 V CA -0.727 61.591 62.300 0.030 0.000 1.067 206 V CB 2.412 34.264 31.823 0.048 0.000 1.102 206 V HN 0.834 nan 8.190 nan 0.000 0.455 207 D N 1.900 122.311 120.400 0.018 0.000 2.453 207 D HA 0.389 5.012 4.640 -0.027 0.000 0.238 207 D C -0.600 175.697 176.300 -0.005 0.000 1.088 207 D CA -0.250 53.751 54.000 0.001 0.000 0.854 207 D CB 0.910 41.702 40.800 -0.015 0.000 1.076 207 D HN 0.488 nan 8.370 nan 0.000 0.533 208 N N 1.521 120.217 118.700 -0.007 0.000 2.575 208 N HA -0.019 4.705 4.740 -0.027 0.000 0.275 208 N C 0.873 176.336 175.510 -0.077 0.000 1.202 208 N CA -0.011 53.016 53.050 -0.037 0.000 0.945 208 N CB 0.474 38.943 38.487 -0.030 0.000 1.247 208 N HN 0.286 nan 8.380 nan 0.000 0.510 209 S N -2.273 113.385 115.700 -0.071 0.000 2.710 209 S HA 0.172 4.625 4.470 -0.027 0.000 0.224 209 S C 1.097 175.639 174.600 -0.096 0.000 0.948 209 S CA -0.118 58.034 58.200 -0.080 0.000 0.949 209 S CB 0.135 63.296 63.200 -0.064 0.000 0.778 209 S HN 0.018 nan 8.310 nan 0.000 0.498 210 S N 0.072 115.704 115.700 -0.114 0.000 2.554 210 S HA 0.371 4.825 4.470 -0.027 0.000 0.227 210 S C 0.923 175.435 174.600 -0.146 0.000 1.050 210 S CA -0.159 57.964 58.200 -0.128 0.000 0.927 210 S CB 0.125 63.236 63.200 -0.149 0.000 0.859 210 S HN 0.362 nan 8.310 nan 0.000 0.494 211 L N 1.104 122.219 121.223 -0.179 0.000 2.356 211 L HA 0.216 4.540 4.340 -0.027 0.000 0.193 211 L C 2.517 179.266 176.870 -0.201 0.000 1.087 211 L CA 1.457 56.158 54.840 -0.230 0.000 0.817 211 L CB -1.311 40.512 42.059 -0.393 0.000 1.035 211 L HN 0.356 nan 8.230 nan 0.000 0.482 212 T N -2.901 111.536 114.554 -0.195 0.000 3.081 212 T HA 0.230 4.563 4.350 -0.027 0.000 0.255 212 T C 1.409 176.013 174.700 -0.160 0.000 1.113 212 T CA 0.398 62.385 62.100 -0.189 0.000 1.082 212 T CB -0.256 68.492 68.868 -0.201 0.000 0.939 212 T HN 0.421 nan 8.240 nan 0.000 0.506 213 G N 1.251 109.972 108.800 -0.132 0.000 2.323 213 G HA2 -0.193 3.750 3.960 -0.027 0.000 0.292 213 G HA3 -0.193 3.750 3.960 -0.027 0.000 0.292 213 G C -0.322 174.519 174.900 -0.098 0.000 1.040 213 G CA 0.091 45.127 45.100 -0.107 0.000 0.942 213 G HN 0.586 nan 8.290 nan 0.000 0.506 214 E N 0.024 120.168 120.200 -0.094 0.000 2.182 214 E HA 0.523 4.857 4.350 -0.027 0.000 0.258 214 E C 1.333 177.909 176.600 -0.040 0.000 0.879 214 E CA 0.032 56.390 56.400 -0.070 0.000 0.754 214 E CB 1.091 30.741 29.700 -0.083 0.000 1.162 214 E HN 0.326 nan 8.360 nan 0.000 0.419 215 S N 2.985 118.665 115.700 -0.033 0.000 2.355 215 S HA -0.162 4.291 4.470 -0.027 0.000 0.222 215 S C 0.660 175.255 174.600 -0.010 0.000 1.031 215 S CA 0.675 58.860 58.200 -0.024 0.000 0.993 215 S CB -0.598 62.586 63.200 -0.026 0.000 0.859 215 S HN 0.568 nan 8.310 nan 0.000 0.453 216 E N 4.163 124.363 120.200 -0.000 0.000 2.694 216 E HA 0.093 4.427 4.350 -0.027 0.000 0.250 216 E C -2.319 174.291 176.600 0.016 0.000 0.963 216 E CA -1.487 54.919 56.400 0.010 0.000 0.949 216 E CB -0.478 29.236 29.700 0.024 0.000 0.911 216 E HN 0.271 nan 8.360 nan 0.000 0.500 217 P HA -0.132 nan 4.420 nan 0.000 0.267 217 P C -0.765 176.553 177.300 0.030 0.000 1.195 217 P CA 0.518 63.627 63.100 0.015 0.000 0.773 217 P CB 0.430 32.133 31.700 0.005 0.000 0.837 218 Q N 0.950 120.774 119.800 0.040 0.000 2.347 218 Q HA 0.225 4.548 4.340 -0.027 0.000 0.265 218 Q C -0.166 175.864 176.000 0.051 0.000 1.024 218 Q CA -0.359 55.477 55.803 0.055 0.000 0.731 218 Q CB 0.975 29.759 28.738 0.076 0.000 1.245 218 Q HN 0.356 nan 8.270 nan 0.000 0.472 219 T N 2.942 117.521 114.554 0.042 0.000 2.923 219 T HA 0.014 4.347 4.350 -0.027 0.000 0.320 219 T C 0.279 175.005 174.700 0.042 0.000 1.074 219 T CA 0.353 62.475 62.100 0.037 0.000 1.131 219 T CB 0.345 69.234 68.868 0.033 0.000 1.058 219 T HN 0.172 nan 8.240 nan 0.000 0.535 220 R N 1.955 122.477 120.500 0.037 0.000 2.476 220 R HA 0.511 4.835 4.340 -0.027 0.000 0.305 220 R C -0.551 175.767 176.300 0.030 0.000 0.965 220 R CA -0.592 55.529 56.100 0.037 0.000 0.867 220 R CB 1.844 32.165 30.300 0.034 0.000 1.176 220 R HN 0.781 nan 8.270 nan 0.000 0.447 221 S N 1.749 117.468 115.700 0.032 0.000 2.536 221 S HA 0.509 4.962 4.470 -0.027 0.000 0.287 221 S C -2.245 172.379 174.600 0.040 0.000 1.101 221 S CA -1.465 56.753 58.200 0.030 0.000 0.950 221 S CB 2.594 65.807 63.200 0.022 0.000 1.056 221 S HN 0.162 nan 8.310 nan 0.000 0.481 222 P HA 0.048 nan 4.420 nan 0.000 0.226 222 P C -0.533 176.813 177.300 0.075 0.000 1.146 222 P CA 1.000 64.131 63.100 0.051 0.000 0.773 222 P CB -0.115 31.607 31.700 0.038 0.000 0.772 223 D N -0.212 120.230 120.400 0.069 0.000 2.264 223 D HA 0.134 4.757 4.640 -0.027 0.000 0.250 223 D C 0.021 176.392 176.300 0.119 0.000 1.113 223 D CA -0.610 53.444 54.000 0.091 0.000 0.871 223 D CB 0.131 40.957 40.800 0.044 0.000 1.167 223 D HN 0.018 nan 8.370 nan 0.000 0.447 224 F N 1.589 121.577 119.950 0.063 0.000 2.529 224 F HA 0.160 4.683 4.527 -0.007 0.000 0.365 224 F C 1.178 177.032 175.800 0.089 0.000 1.102 224 F CA 0.190 58.252 58.000 0.104 0.000 1.271 224 F CB 1.013 40.083 39.000 0.116 0.000 1.120 224 F HN 0.237 nan 8.300 nan 0.000 0.579 225 T N 2.742 116.976 114.554 -0.535 0.000 3.480 225 T HA 0.142 4.475 4.350 -0.027 0.000 0.229 225 T C 0.337 174.606 174.700 -0.717 0.000 0.944 225 T CA 0.105 61.839 62.100 -0.611 0.000 1.388 225 T CB -0.372 68.382 68.868 -0.190 0.000 1.180 225 T HN 0.648 nan 8.240 nan 0.000 0.414 226 N N 0.921 119.546 118.700 -0.125 0.000 2.492 226 N HA 0.183 4.907 4.740 -0.027 0.000 0.289 226 N C 0.754 176.617 175.510 0.588 0.000 1.133 226 N CA -0.197 52.943 53.050 0.150 0.000 0.961 226 N CB 1.476 40.044 38.487 0.135 0.000 1.186 226 N HN 0.286 nan 8.380 nan 0.000 0.493 227 E N 0.102 120.632 120.200 0.550 0.000 2.409 227 E HA -0.137 4.197 4.350 -0.027 0.000 0.198 227 E C -0.119 176.741 176.600 0.434 0.000 1.024 227 E CA 0.483 57.180 56.400 0.496 0.000 0.861 227 E CB -0.241 29.620 29.700 0.268 0.000 0.788 227 E HN 0.414 nan 8.360 nan 0.000 0.521 228 N N 1.678 120.571 118.700 0.321 0.000 2.408 228 N HA 0.056 4.780 4.740 -0.027 0.000 0.257 228 N C -2.195 173.393 175.510 0.129 0.000 1.064 228 N CA -2.323 50.856 53.050 0.215 0.000 0.952 228 N CB 1.386 39.969 38.487 0.161 0.000 1.093 228 N HN -0.291 nan 8.380 nan 0.000 0.490 229 P HA -0.040 nan 4.420 nan 0.000 0.240 229 P C 0.500 177.941 177.300 0.235 0.000 1.186 229 P CA 0.971 64.005 63.100 -0.110 0.000 0.755 229 P CB 0.167 31.894 31.700 0.044 0.000 0.870 230 L N -1.677 119.644 121.223 0.164 0.000 2.731 230 L HA 0.175 4.499 4.340 -0.027 0.000 0.240 230 L C 1.633 178.569 176.870 0.111 0.000 1.120 230 L CA 0.425 55.315 54.840 0.083 0.000 0.913 230 L CB 0.094 42.129 42.059 -0.040 0.000 1.213 230 L HN -0.057 nan 8.230 nan 0.000 0.515 231 E N -0.776 119.518 120.200 0.156 0.000 2.474 231 E HA 0.064 4.398 4.350 -0.027 0.000 0.215 231 E C 0.840 177.531 176.600 0.150 0.000 0.867 231 E CA 0.137 56.628 56.400 0.151 0.000 1.135 231 E CB 0.580 30.367 29.700 0.145 0.000 1.147 231 E HN 0.056 nan 8.360 nan 0.000 0.534 232 T N 1.013 115.659 114.554 0.153 0.000 2.939 232 T HA -0.029 4.304 4.350 -0.027 0.000 0.312 232 T C 0.960 175.730 174.700 0.117 0.000 1.064 232 T CA 0.433 62.620 62.100 0.146 0.000 1.136 232 T CB 0.466 69.407 68.868 0.122 0.000 1.035 232 T HN 0.023 nan 8.240 nan 0.000 0.538 233 R N 2.248 122.801 120.500 0.088 0.000 2.334 233 R HA 0.112 4.436 4.340 -0.027 0.000 0.216 233 R C 1.270 177.603 176.300 0.055 0.000 0.905 233 R CA 0.234 56.374 56.100 0.067 0.000 1.064 233 R CB 0.107 30.431 30.300 0.041 0.000 1.046 233 R HN 0.668 nan 8.270 nan 0.000 0.508 234 N N 0.216 118.959 118.700 0.073 0.000 2.230 234 N HA 0.016 4.739 4.740 -0.027 0.000 0.202 234 N C -0.304 175.205 175.510 -0.002 0.000 1.119 234 N CA 0.224 53.312 53.050 0.062 0.000 0.851 234 N CB 0.599 39.163 38.487 0.128 0.000 0.990 234 N HN -0.053 nan 8.380 nan 0.000 0.497 235 I N 1.121 121.638 120.570 -0.089 0.000 2.439 235 I HA 0.495 4.649 4.170 -0.027 0.000 0.285 235 I C -0.388 175.470 176.117 -0.432 0.000 1.021 235 I CA -1.590 59.533 61.300 -0.294 0.000 1.091 235 I CB 0.855 38.569 38.000 -0.476 0.000 1.242 235 I HN 0.033 nan 8.210 nan 0.000 0.439 236 A N 6.888 129.516 122.820 -0.320 0.000 2.301 236 A HA 0.795 5.099 4.320 -0.027 0.000 0.312 236 A C -0.895 176.503 177.584 -0.310 0.000 1.182 236 A CA -0.271 51.641 52.037 -0.209 0.000 0.826 236 A CB 0.271 19.242 19.000 -0.048 0.000 1.134 236 A HN 0.458 nan 8.150 nan 0.000 0.501 237 F N 1.746 121.732 119.950 0.060 0.000 2.421 237 F HA 0.458 4.967 4.527 -0.030 0.000 0.337 237 F C 0.449 176.302 175.800 0.089 0.000 1.105 237 F CA -0.666 57.388 58.000 0.089 0.000 1.049 237 F CB 1.019 40.051 39.000 0.053 0.000 1.139 237 F HN 0.690 nan 8.300 nan 0.000 0.479 238 F N 2.495 122.552 119.950 0.178 0.000 2.640 238 F HA 0.178 4.688 4.527 -0.029 0.000 0.329 238 F C 1.395 177.250 175.800 0.092 0.000 1.224 238 F CA 0.475 58.537 58.000 0.102 0.000 1.373 238 F CB 0.400 39.444 39.000 0.074 0.000 1.129 238 F HN 0.798 nan 8.300 nan 0.000 0.610 239 S N -1.307 113.568 115.700 -1.375 0.000 2.769 239 S HA -0.266 4.188 4.470 -0.027 0.000 0.264 239 S C 0.307 174.633 174.600 -0.457 0.000 1.288 239 S CA 1.235 58.683 58.200 -1.254 0.000 1.378 239 S CB -3.245 59.097 63.200 -1.431 0.000 1.702 239 S HN 1.716 nan 8.310 nan 0.000 0.656 240 T N 0.288 114.695 114.554 -0.245 0.000 2.888 240 T HA 0.672 5.006 4.350 -0.027 0.000 0.283 240 T C -0.421 174.245 174.700 -0.058 0.000 1.013 240 T CA -0.102 61.938 62.100 -0.101 0.000 0.938 240 T CB 0.932 69.798 68.868 -0.003 0.000 1.298 240 T HN 1.319 nan 8.240 nan 0.000 0.580 241 N N -1.511 117.175 118.700 -0.023 0.000 2.455 241 N HA 0.306 5.030 4.740 -0.027 0.000 0.285 241 N C -1.029 174.484 175.510 0.005 0.000 1.080 241 N CA -0.905 52.140 53.050 -0.009 0.000 0.932 241 N CB 0.969 39.445 38.487 -0.019 0.000 1.610 241 N HN 0.926 nan 8.380 nan 0.000 0.493 242 C N 3.179 122.487 119.300 0.013 0.000 2.662 242 C HA 0.169 4.613 4.460 -0.027 0.000 0.402 242 C C 1.749 176.745 174.990 0.010 0.000 1.397 242 C CA -0.307 58.721 59.018 0.016 0.000 1.575 242 C CB -1.451 26.300 27.740 0.018 0.000 2.406 242 C HN 0.644 nan 8.230 nan 0.000 0.609 243 V N 5.448 125.367 119.914 0.009 0.000 2.307 243 V HA -0.017 4.087 4.120 -0.027 0.000 0.245 243 V C 1.183 177.279 176.094 0.003 0.000 1.045 243 V CA 2.316 64.618 62.300 0.003 0.000 1.024 243 V CB -0.714 31.110 31.823 0.001 0.000 0.651 243 V HN 0.988 nan 8.190 nan 0.000 0.449 244 E N -1.824 118.379 120.200 0.005 0.000 2.437 244 E HA 0.498 4.832 4.350 -0.027 0.000 0.280 244 E C -0.065 176.541 176.600 0.010 0.000 1.044 244 E CA -0.267 56.136 56.400 0.005 0.000 0.826 244 E CB 1.607 31.306 29.700 -0.002 0.000 1.358 244 E HN 0.531 nan 8.360 nan 0.000 0.459 245 G N -0.014 108.793 108.800 0.011 0.000 2.855 245 G HA2 -0.130 3.814 3.960 -0.027 0.000 0.352 245 G HA3 -0.130 3.814 3.960 -0.027 0.000 0.352 245 G C -0.384 174.525 174.900 0.015 0.000 1.415 245 G CA -0.033 45.077 45.100 0.015 0.000 0.871 245 G HN 0.734 nan 8.290 nan 0.000 0.543 246 T N -1.001 113.562 114.554 0.016 0.000 2.927 246 T HA 1.020 5.354 4.350 -0.027 0.000 0.286 246 T C 0.215 174.924 174.700 0.016 0.000 1.040 246 T CA 0.984 63.093 62.100 0.015 0.000 1.010 246 T CB 1.340 70.216 68.868 0.014 0.000 1.177 246 T HN 2.562 nan 8.240 nan 0.000 0.546 247 A N 1.481 124.310 122.820 0.016 0.000 2.522 247 A HA 0.746 5.049 4.320 -0.027 0.000 0.291 247 A C -1.715 175.878 177.584 0.016 0.000 1.039 247 A CA -0.796 51.251 52.037 0.016 0.000 0.643 247 A CB 1.098 20.108 19.000 0.017 0.000 1.310 247 A HN 0.738 nan 8.150 nan 0.000 0.436 248 R N -0.620 119.889 120.500 0.016 0.000 2.668 248 R HA 0.681 5.005 4.340 -0.027 0.000 0.272 248 R C -0.370 175.941 176.300 0.018 0.000 1.019 248 R CA -0.294 55.816 56.100 0.016 0.000 0.894 248 R CB 2.590 32.899 30.300 0.016 0.000 1.228 248 R HN 1.654 nan 8.270 nan 0.000 0.460 249 G N 1.725 110.536 108.800 0.018 0.000 2.660 249 G HA2 0.514 4.458 3.960 -0.027 0.000 0.290 249 G HA3 0.514 4.458 3.960 -0.027 0.000 0.290 249 G C -0.885 174.029 174.900 0.024 0.000 1.432 249 G CA -0.856 44.257 45.100 0.021 0.000 0.807 249 G HN 0.411 nan 8.290 nan 0.000 0.485 250 I N -0.031 120.561 120.570 0.037 0.000 2.499 250 I HA 0.446 4.599 4.170 -0.027 0.000 0.296 250 I C 0.034 176.143 176.117 -0.014 0.000 0.992 250 I CA -1.097 60.224 61.300 0.035 0.000 1.297 250 I CB 1.657 39.724 38.000 0.112 0.000 1.410 250 I HN 0.027 nan 8.210 nan 0.000 0.507 251 V N 5.764 125.637 119.914 -0.069 0.000 2.408 251 V HA 0.058 4.162 4.120 -0.027 0.000 0.267 251 V C 0.982 176.918 176.094 -0.264 0.000 1.047 251 V CA -0.251 61.981 62.300 -0.113 0.000 0.937 251 V CB 1.118 32.885 31.823 -0.094 0.000 0.999 251 V HN 0.741 nan 8.190 nan 0.000 0.472 252 V N 2.525 122.295 119.914 -0.240 0.000 3.379 252 V HA 0.300 4.404 4.120 -0.027 0.000 0.249 252 V C 0.256 176.104 176.094 -0.411 0.000 1.184 252 V CA 0.258 62.306 62.300 -0.421 0.000 1.106 252 V CB -0.634 31.017 31.823 -0.287 0.000 0.826 252 V HN 0.669 nan 8.190 nan 0.000 0.465 253 Y N -0.250 119.996 120.300 -0.090 0.000 2.391 253 Y HA 0.681 5.214 4.550 -0.029 0.000 0.341 253 Y C 0.120 175.971 175.900 -0.082 0.000 0.965 253 Y CA -0.595 57.467 58.100 -0.063 0.000 1.067 253 Y CB 2.450 40.904 38.460 -0.011 0.000 1.199 253 Y HN -0.089 nan 8.280 nan 0.000 0.450 254 T N 1.844 116.457 114.554 0.099 0.000 2.907 254 T HA 0.564 4.897 4.350 -0.027 0.000 0.292 254 T C 0.338 174.984 174.700 -0.091 0.000 1.043 254 T CA 0.406 62.490 62.100 -0.027 0.000 1.003 254 T CB 1.422 70.264 68.868 -0.042 0.000 1.084 254 T HN 1.058 nan 8.240 nan 0.000 0.483 255 G N 2.908 111.600 108.800 -0.180 0.000 2.652 255 G HA2 -0.310 3.633 3.960 -0.027 0.000 0.318 255 G HA3 -0.310 3.633 3.960 -0.027 0.000 0.318 255 G C 0.609 175.359 174.900 -0.249 0.000 1.295 255 G CA 0.879 45.845 45.100 -0.224 0.000 0.999 255 G HN 0.747 nan 8.290 nan 0.000 0.548 256 D N 0.378 120.677 120.400 -0.168 0.000 2.263 256 D HA -0.034 4.590 4.640 -0.027 0.000 0.208 256 D C 2.424 178.629 176.300 -0.158 0.000 0.971 256 D CA 0.963 54.876 54.000 -0.145 0.000 0.867 256 D CB -0.190 40.553 40.800 -0.096 0.000 0.929 256 D HN 0.438 nan 8.370 nan 0.000 0.492 257 R N 0.509 120.921 120.500 -0.146 0.000 2.328 257 R HA -0.019 4.304 4.340 -0.027 0.000 0.207 257 R C 0.641 176.685 176.300 -0.426 0.000 1.056 257 R CA 0.468 56.445 56.100 -0.205 0.000 1.016 257 R CB -0.160 30.156 30.300 0.027 0.000 0.872 257 R HN 0.233 nan 8.270 nan 0.000 0.471 258 T N -3.195 111.225 114.554 -0.223 0.000 2.918 258 T HA 0.081 4.415 4.350 -0.027 0.000 0.302 258 T C 1.606 176.254 174.700 -0.087 0.000 1.045 258 T CA -0.779 61.261 62.100 -0.100 0.000 1.114 258 T CB 1.553 70.396 68.868 -0.042 0.000 0.965 258 T HN -0.206 nan 8.240 nan 0.000 0.540 259 V N 3.163 123.114 119.914 0.062 0.000 2.220 259 V HA -0.300 3.804 4.120 -0.027 0.000 0.250 259 V C 2.740 178.886 176.094 0.086 0.000 1.056 259 V CA 2.920 65.280 62.300 0.099 0.000 1.016 259 V CB -0.987 31.040 31.823 0.339 0.000 0.639 259 V HN 1.063 nan 8.190 nan 0.000 0.446 260 M N 0.452 120.168 119.600 0.193 0.000 2.296 260 M HA 0.005 4.469 4.480 -0.027 0.000 0.265 260 M C 1.926 178.344 176.300 0.197 0.000 1.064 260 M CA 2.233 57.632 55.300 0.164 0.000 1.109 260 M CB -0.771 31.924 32.600 0.158 0.000 1.396 260 M HN 0.252 nan 8.290 nan 0.000 0.430 261 G N 1.176 110.097 108.800 0.201 0.000 2.446 261 G HA2 -0.208 3.735 3.960 -0.027 0.000 0.217 261 G HA3 -0.208 3.735 3.960 -0.027 0.000 0.217 261 G C 1.634 176.531 174.900 -0.004 0.000 1.168 261 G CA 0.877 46.006 45.100 0.048 0.000 0.771 261 G HN 0.531 nan 8.290 nan 0.000 0.551 262 R N -0.539 119.938 120.500 -0.039 0.000 2.105 262 R HA -0.057 4.266 4.340 -0.027 0.000 0.239 262 R C 2.454 178.738 176.300 -0.027 0.000 1.135 262 R CA 0.967 57.036 56.100 -0.051 0.000 0.967 262 R CB -0.413 29.842 30.300 -0.075 0.000 0.861 262 R HN 0.324 nan 8.270 nan 0.000 0.442 263 I N 0.829 121.393 120.570 -0.011 0.000 2.286 263 I HA -0.213 3.940 4.170 -0.027 0.000 0.248 263 I C 2.431 178.543 176.117 -0.008 0.000 1.115 263 I CA 1.191 62.482 61.300 -0.014 0.000 1.392 263 I CB -0.644 37.347 38.000 -0.016 0.000 1.065 263 I HN 0.116 nan 8.210 nan 0.000 0.418 264 A N -0.632 122.197 122.820 0.014 0.000 1.883 264 A HA -0.238 4.066 4.320 -0.027 0.000 0.217 264 A C 2.409 179.990 177.584 -0.005 0.000 1.186 264 A CA 2.555 54.600 52.037 0.015 0.000 0.624 264 A CB -1.283 17.745 19.000 0.046 0.000 0.822 264 A HN 0.420 nan 8.150 nan 0.000 0.444 265 T N 0.082 114.628 114.554 -0.013 0.000 2.746 265 T HA -0.147 4.187 4.350 -0.027 0.000 0.267 265 T C 1.839 176.526 174.700 -0.022 0.000 1.039 265 T CA 1.565 63.653 62.100 -0.021 0.000 1.142 265 T CB -0.395 68.456 68.868 -0.028 0.000 0.866 265 T HN 0.417 nan 8.240 nan 0.000 0.444 266 L N 0.824 122.032 121.223 -0.025 0.000 2.201 266 L HA 0.175 4.499 4.340 -0.027 0.000 0.212 266 L C 2.407 179.259 176.870 -0.029 0.000 1.105 266 L CA 1.381 56.205 54.840 -0.027 0.000 0.775 266 L CB -0.587 41.454 42.059 -0.030 0.000 0.913 266 L HN 0.190 nan 8.230 nan 0.000 0.440 267 A N -0.777 122.027 122.820 -0.027 0.000 1.840 267 A HA -0.089 4.214 4.320 -0.027 0.000 0.214 267 A C 2.211 179.777 177.584 -0.030 0.000 1.198 267 A CA 1.555 53.573 52.037 -0.031 0.000 0.608 267 A CB -0.867 18.116 19.000 -0.028 0.000 0.839 267 A HN 0.499 nan 8.150 nan 0.000 0.443 268 S N -0.328 115.357 115.700 -0.025 0.000 2.603 268 S HA 0.182 4.635 4.470 -0.027 0.000 0.220 268 S C 1.374 175.960 174.600 -0.024 0.000 0.967 268 S CA 0.523 58.708 58.200 -0.024 0.000 0.920 268 S CB 0.093 63.281 63.200 -0.020 0.000 0.773 268 S HN 0.715 nan 8.310 nan 0.000 0.529 269 G N 0.474 109.259 108.800 -0.024 0.000 3.393 269 G HA2 0.416 4.359 3.960 -0.027 0.000 0.255 269 G HA3 0.416 4.359 3.960 -0.027 0.000 0.255 269 G C 0.183 175.068 174.900 -0.026 0.000 1.097 269 G CA -0.288 44.799 45.100 -0.023 0.000 0.780 269 G HN 0.287 nan 8.290 nan 0.000 0.540 270 L N -0.164 121.042 121.223 -0.030 0.000 2.469 270 L HA 0.498 4.822 4.340 -0.027 0.000 0.253 270 L C 0.221 177.071 176.870 -0.034 0.000 1.143 270 L CA -0.832 53.989 54.840 -0.033 0.000 0.804 270 L CB 1.407 43.444 42.059 -0.037 0.000 1.214 270 L HN 0.001 nan 8.230 nan 0.000 0.476 271 E N -0.442 119.736 120.200 -0.037 0.000 2.313 271 E HA 0.248 4.582 4.350 -0.027 0.000 0.272 271 E C 0.455 177.027 176.600 -0.047 0.000 1.038 271 E CA 0.336 56.712 56.400 -0.041 0.000 0.863 271 E CB 1.767 31.444 29.700 -0.039 0.000 1.060 271 E HN 0.586 nan 8.360 nan 0.000 0.402 272 G N 2.171 110.938 108.800 -0.054 0.000 2.547 272 G HA2 0.353 4.296 3.960 -0.027 0.000 0.214 272 G HA3 0.353 4.296 3.960 -0.027 0.000 0.214 272 G C 0.580 175.443 174.900 -0.061 0.000 1.254 272 G CA 0.537 45.602 45.100 -0.059 0.000 0.817 272 G HN 1.005 nan 8.290 nan 0.000 0.551 273 G N -1.689 107.071 108.800 -0.067 0.000 2.612 273 G HA2 0.003 3.947 3.960 -0.027 0.000 0.686 273 G HA3 0.003 3.947 3.960 -0.027 0.000 0.686 273 G C -0.738 174.121 174.900 -0.069 0.000 1.274 273 G CA -0.429 44.633 45.100 -0.063 0.000 0.849 273 G HN 0.598 nan 8.290 nan 0.000 0.595 274 Q N 0.527 120.290 119.800 -0.062 0.000 2.256 274 Q HA 0.532 4.855 4.340 -0.027 0.000 0.254 274 Q C 1.029 176.998 176.000 -0.053 0.000 0.916 274 Q CA -0.005 55.761 55.803 -0.062 0.000 0.932 274 Q CB 1.281 29.988 28.738 -0.052 0.000 1.207 274 Q HN 0.913 nan 8.270 nan 0.000 0.426 275 T N -0.794 113.727 114.554 -0.055 0.000 2.828 275 T HA 0.185 4.518 4.350 -0.027 0.000 0.290 275 T C -1.615 173.063 174.700 -0.037 0.000 1.019 275 T CA -1.404 60.668 62.100 -0.046 0.000 1.031 275 T CB 0.627 69.467 68.868 -0.047 0.000 1.001 275 T HN 0.350 nan 8.240 nan 0.000 0.531 276 P HA -0.061 nan 4.420 nan 0.000 0.213 276 P C 1.881 179.182 177.300 0.001 0.000 1.170 276 P CA 0.476 63.567 63.100 -0.016 0.000 0.889 276 P CB -0.088 31.601 31.700 -0.019 0.000 0.782 277 I N 0.422 120.995 120.570 0.006 0.000 2.194 277 I HA -0.264 3.889 4.170 -0.027 0.000 0.246 277 I C 2.092 178.191 176.117 -0.031 0.000 1.093 277 I CA 2.023 63.332 61.300 0.014 0.000 1.355 277 I CB -1.039 36.966 38.000 0.008 0.000 1.046 277 I HN -0.120 nan 8.210 nan 0.000 0.413 278 A N 0.685 123.475 122.820 -0.050 0.000 1.972 278 A HA -0.117 4.187 4.320 -0.027 0.000 0.219 278 A C 2.517 180.058 177.584 -0.072 0.000 1.169 278 A CA 1.748 53.734 52.037 -0.084 0.000 0.635 278 A CB -0.816 18.138 19.000 -0.076 0.000 0.810 278 A HN 0.575 nan 8.150 nan 0.000 0.446 279 A N -0.202 122.599 122.820 -0.032 0.000 1.858 279 A HA -0.157 4.146 4.320 -0.027 0.000 0.216 279 A C 1.945 179.547 177.584 0.029 0.000 1.190 279 A CA 1.755 53.790 52.037 -0.003 0.000 0.617 279 A CB -0.467 18.533 19.000 0.000 0.000 0.827 279 A HN 0.422 nan 8.150 nan 0.000 0.443 280 E N -0.170 120.051 120.200 0.035 0.000 2.058 280 E HA -0.190 4.143 4.350 -0.027 0.000 0.194 280 E C 1.943 178.582 176.600 0.065 0.000 0.997 280 E CA 1.073 57.525 56.400 0.086 0.000 0.801 280 E CB -0.593 29.157 29.700 0.084 0.000 0.746 280 E HN 0.706 nan 8.360 nan 0.000 0.450 281 I N 1.025 121.534 120.570 -0.102 0.000 2.069 281 I HA -0.342 3.812 4.170 -0.027 0.000 0.237 281 I C 2.619 178.578 176.117 -0.263 0.000 1.053 281 I CA 1.780 62.866 61.300 -0.356 0.000 1.311 281 I CB -0.105 37.538 38.000 -0.594 0.000 1.030 281 I HN 0.154 nan 8.210 nan 0.000 0.398 282 E N -0.225 119.858 120.200 -0.195 0.000 2.118 282 E HA -0.354 3.979 4.350 -0.027 0.000 0.195 282 E C 2.266 178.775 176.600 -0.152 0.000 0.992 282 E CA 1.551 57.856 56.400 -0.159 0.000 0.804 282 E CB -0.311 29.326 29.700 -0.105 0.000 0.741 282 E HN 0.599 nan 8.360 nan 0.000 0.458 283 H N -0.545 118.489 119.070 -0.059 0.000 2.423 283 H HA -0.156 4.383 4.556 -0.027 0.000 0.297 283 H C 2.000 177.389 175.328 0.101 0.000 1.075 283 H CA 1.494 57.572 56.048 0.049 0.000 1.342 283 H CB -0.223 29.604 29.762 0.108 0.000 1.395 283 H HN 0.344 nan 8.280 nan 0.000 0.530 284 F N 1.164 121.100 119.950 -0.023 0.000 2.134 284 F HA -0.168 4.343 4.527 -0.028 0.000 0.299 284 F C 2.304 178.118 175.800 0.023 0.000 1.097 284 F CA 1.264 59.273 58.000 0.014 0.000 1.264 284 F CB -0.555 38.540 39.000 0.158 0.000 1.001 284 F HN 0.055 nan 8.300 nan 0.000 0.479 285 I N 0.199 120.842 120.570 0.121 0.000 2.127 285 I HA -0.383 3.771 4.170 -0.027 0.000 0.241 285 I C 2.358 178.394 176.117 -0.135 0.000 1.075 285 I CA 2.017 63.321 61.300 0.006 0.000 1.334 285 I CB -0.808 37.279 38.000 0.145 0.000 1.040 285 I HN 0.226 nan 8.210 nan 0.000 0.405 286 H N -0.036 118.971 119.070 -0.105 0.000 2.394 286 H HA -0.224 4.316 4.556 -0.028 0.000 0.297 286 H C 2.122 177.327 175.328 -0.204 0.000 1.113 286 H CA 1.295 57.261 56.048 -0.135 0.000 1.277 286 H CB 0.169 29.844 29.762 -0.146 0.000 1.370 286 H HN 0.241 nan 8.280 nan 0.000 0.506 287 I N 0.206 120.653 120.570 -0.206 0.000 2.277 287 I HA -0.205 3.949 4.170 -0.027 0.000 0.243 287 I C 2.317 178.271 176.117 -0.273 0.000 1.094 287 I CA 0.718 61.865 61.300 -0.256 0.000 1.393 287 I CB -0.674 37.134 38.000 -0.320 0.000 1.078 287 I HN 0.284 nan 8.210 nan 0.000 0.417 288 I N 1.077 121.405 120.570 -0.403 0.000 2.058 288 I HA -0.316 3.838 4.170 -0.027 0.000 0.235 288 I C 2.562 178.599 176.117 -0.134 0.000 1.053 288 I CA 1.786 62.891 61.300 -0.326 0.000 1.313 288 I CB -1.477 36.270 38.000 -0.421 0.000 1.039 288 I HN 0.193 nan 8.210 nan 0.000 0.396 289 T N 0.909 115.413 114.554 -0.083 0.000 2.721 289 T HA -0.190 4.143 4.350 -0.027 0.000 0.268 289 T C 1.825 176.531 174.700 0.011 0.000 1.038 289 T CA 1.515 63.611 62.100 -0.007 0.000 1.145 289 T CB -0.814 68.075 68.868 0.035 0.000 0.858 289 T HN 0.618 nan 8.240 nan 0.000 0.459 290 G N 1.106 109.896 108.800 -0.016 0.000 2.469 290 G HA2 -0.213 3.730 3.960 -0.027 0.000 0.220 290 G HA3 -0.213 3.730 3.960 -0.027 0.000 0.220 290 G C 1.711 176.632 174.900 0.035 0.000 1.136 290 G CA 1.530 46.628 45.100 -0.004 0.000 0.759 290 G HN 0.589 nan 8.290 nan 0.000 0.562 291 V N -1.961 117.967 119.914 0.024 0.000 2.825 291 V HA 0.454 4.558 4.120 -0.027 0.000 0.246 291 V C 2.859 179.057 176.094 0.172 0.000 1.068 291 V CA 1.173 63.543 62.300 0.117 0.000 1.088 291 V CB -0.492 31.381 31.823 0.083 0.000 0.733 291 V HN 0.342 nan 8.190 nan 0.000 0.468 292 A N 1.411 124.286 122.820 0.092 0.000 2.070 292 A HA -0.038 4.265 4.320 -0.027 0.000 0.220 292 A C 2.264 179.892 177.584 0.073 0.000 1.159 292 A CA 2.261 54.339 52.037 0.068 0.000 0.656 292 A CB -0.635 18.382 19.000 0.028 0.000 0.800 292 A HN 1.139 nan 8.150 nan 0.000 0.453 293 V N -4.787 115.187 119.914 0.099 0.000 3.431 293 V HA 0.160 4.263 4.120 -0.027 0.000 0.253 293 V C 1.999 178.174 176.094 0.135 0.000 1.184 293 V CA 0.954 63.308 62.300 0.090 0.000 1.104 293 V CB -0.884 30.984 31.823 0.075 0.000 0.799 293 V HN 0.337 nan 8.190 nan 0.000 0.462 294 F N 1.188 121.172 119.950 0.056 0.000 2.113 294 F HA 0.043 4.553 4.527 -0.027 0.000 0.297 294 F C 1.928 177.804 175.800 0.128 0.000 1.103 294 F CA 2.023 60.071 58.000 0.080 0.000 1.248 294 F CB -0.081 38.959 39.000 0.066 0.000 0.999 294 F HN 0.062 nan 8.300 nan 0.000 0.475 295 L N -0.124 121.197 121.223 0.164 0.000 2.027 295 L HA -0.094 4.230 4.340 -0.027 0.000 0.206 295 L C 2.816 179.738 176.870 0.087 0.000 1.074 295 L CA 1.387 56.291 54.840 0.107 0.000 0.745 295 L CB -1.763 40.342 42.059 0.076 0.000 0.898 295 L HN 0.364 nan 8.230 nan 0.000 0.433 296 G N 0.393 109.228 108.800 0.057 0.000 2.556 296 G HA2 -0.306 3.638 3.960 -0.027 0.000 0.220 296 G HA3 -0.306 3.638 3.960 -0.027 0.000 0.220 296 G C 1.555 176.522 174.900 0.112 0.000 1.156 296 G CA 1.758 46.896 45.100 0.063 0.000 0.766 296 G HN 0.391 nan 8.290 nan 0.000 0.583 297 V N -3.018 116.941 119.914 0.074 0.000 2.878 297 V HA 0.164 4.268 4.120 -0.027 0.000 0.250 297 V C 2.522 178.698 176.094 0.137 0.000 1.075 297 V CA 1.937 64.318 62.300 0.134 0.000 1.096 297 V CB -0.113 31.749 31.823 0.066 0.000 0.724 297 V HN 0.210 nan 8.190 nan 0.000 0.467 298 S N 0.243 115.905 115.700 -0.063 0.000 2.399 298 S HA -0.016 4.438 4.470 -0.027 0.000 0.231 298 S C 1.513 176.067 174.600 -0.078 0.000 1.022 298 S CA 1.958 60.039 58.200 -0.199 0.000 0.983 298 S CB -0.492 62.389 63.200 -0.531 0.000 0.803 298 S HN 0.702 nan 8.310 nan 0.000 0.480 299 F N 0.051 119.955 119.950 -0.078 0.000 2.743 299 F HA 0.234 4.745 4.527 -0.027 0.000 0.297 299 F C 1.469 177.276 175.800 0.012 0.000 1.131 299 F CA -0.283 57.688 58.000 -0.049 0.000 1.426 299 F CB -0.247 38.725 39.000 -0.046 0.000 1.116 299 F HN 0.306 nan 8.300 nan 0.000 0.583 300 F N 1.355 121.346 119.950 0.068 0.000 2.187 300 F HA -0.072 4.439 4.527 -0.027 0.000 0.295 300 F C 2.147 177.932 175.800 -0.024 0.000 1.091 300 F CA 1.424 59.434 58.000 0.018 0.000 1.308 300 F CB -0.697 38.285 39.000 -0.031 0.000 1.030 300 F HN 0.008 nan 8.300 nan 0.000 0.487 301 I N -0.796 119.460 120.570 -0.524 0.000 2.252 301 I HA -0.161 3.992 4.170 -0.027 0.000 0.245 301 I C 2.238 178.155 176.117 -0.334 0.000 1.102 301 I CA 1.505 62.471 61.300 -0.556 0.000 1.385 301 I CB -0.888 36.952 38.000 -0.267 0.000 1.064 301 I HN 0.305 nan 8.210 nan 0.000 0.414 302 L N 1.591 122.653 121.223 -0.269 0.000 2.046 302 L HA -0.206 4.118 4.340 -0.027 0.000 0.208 302 L C 3.065 179.843 176.870 -0.154 0.000 1.077 302 L CA 2.026 56.713 54.840 -0.256 0.000 0.747 302 L CB -0.293 41.500 42.059 -0.443 0.000 0.896 302 L HN 0.570 nan 8.230 nan 0.000 0.432 303 S N -0.514 115.119 115.700 -0.110 0.000 2.368 303 S HA -0.244 4.210 4.470 -0.027 0.000 0.225 303 S C 1.908 176.590 174.600 0.137 0.000 1.030 303 S CA 1.151 59.362 58.200 0.019 0.000 0.999 303 S CB -0.768 62.457 63.200 0.043 0.000 0.844 303 S HN 0.284 nan 8.310 nan 0.000 0.459 304 L N 1.629 122.816 121.223 -0.060 0.000 1.970 304 L HA 0.003 4.327 4.340 -0.027 0.000 0.212 304 L C 2.306 179.178 176.870 0.004 0.000 1.071 304 L CA 1.583 56.402 54.840 -0.035 0.000 0.751 304 L CB -0.562 41.372 42.059 -0.208 0.000 0.889 304 L HN 0.302 nan 8.230 nan 0.000 0.432 305 I N -0.428 120.109 120.570 -0.054 0.000 2.953 305 I HA -0.245 3.908 4.170 -0.027 0.000 0.271 305 I C 1.468 177.573 176.117 -0.019 0.000 1.286 305 I CA 1.143 62.416 61.300 -0.045 0.000 1.449 305 I CB -0.943 37.012 38.000 -0.075 0.000 1.086 305 I HN 0.274 nan 8.210 nan 0.000 0.483 306 L N 0.725 121.972 121.223 0.040 0.000 2.984 306 L HA 0.174 4.498 4.340 -0.027 0.000 0.246 306 L C -0.152 176.693 176.870 -0.042 0.000 1.268 306 L CA 0.030 54.901 54.840 0.053 0.000 1.054 306 L CB -0.378 41.778 42.059 0.161 0.000 1.393 306 L HN 0.266 nan 8.230 nan 0.000 0.532 307 E N -0.822 119.336 120.200 -0.069 0.000 2.260 307 E HA -0.236 4.097 4.350 -0.027 0.000 0.204 307 E C -1.191 175.198 176.600 -0.351 0.000 1.319 307 E CA 0.401 56.693 56.400 -0.179 0.000 0.679 307 E CB -1.462 28.097 29.700 -0.235 0.000 1.158 307 E HN 0.268 nan 8.360 nan 0.000 0.376 308 Y N -0.335 119.975 120.300 0.017 0.000 2.331 308 Y HA 0.248 4.782 4.550 -0.027 0.000 0.326 308 Y C 0.813 176.741 175.900 0.047 0.000 1.020 308 Y CA -0.502 57.619 58.100 0.034 0.000 1.136 308 Y CB 2.018 40.514 38.460 0.061 0.000 1.157 308 Y HN 0.127 nan 8.280 nan 0.000 0.444 309 T N 1.276 115.950 114.554 0.200 0.000 2.649 309 T HA -0.178 4.155 4.350 -0.027 0.000 0.337 309 T C 0.679 175.527 174.700 0.247 0.000 1.070 309 T CA 0.426 62.646 62.100 0.199 0.000 1.052 309 T CB 0.435 69.394 68.868 0.151 0.000 0.994 309 T HN 0.785 nan 8.240 nan 0.000 0.544 310 W N 1.764 123.113 121.300 0.081 0.000 3.077 310 W HA 0.253 4.896 4.660 -0.028 0.000 0.245 310 W C 1.318 177.880 176.519 0.072 0.000 1.316 310 W CA 0.127 57.532 57.345 0.102 0.000 1.537 310 W CB -0.329 29.184 29.460 0.088 0.000 1.131 310 W HN 0.501 nan 8.180 nan 0.000 0.695 311 L N -1.073 120.252 121.223 0.169 0.000 2.640 311 L HA 0.237 4.561 4.340 -0.027 0.000 0.230 311 L C 1.414 178.252 176.870 -0.053 0.000 1.123 311 L CA 0.383 55.266 54.840 0.071 0.000 0.900 311 L CB -0.023 42.085 42.059 0.082 0.000 1.146 311 L HN -0.083 nan 8.230 nan 0.000 0.484 312 E N 0.565 120.709 120.200 -0.094 0.000 2.629 312 E HA 0.181 4.515 4.350 -0.027 0.000 0.197 312 E C 2.138 178.483 176.600 -0.423 0.000 0.955 312 E CA 0.615 56.819 56.400 -0.327 0.000 1.191 312 E CB -0.078 29.515 29.700 -0.179 0.000 1.175 312 E HN 0.225 nan 8.360 nan 0.000 0.501 313 A N 1.332 124.072 122.820 -0.133 0.000 2.139 313 A HA -0.146 4.157 4.320 -0.027 0.000 0.221 313 A C 2.220 179.925 177.584 0.201 0.000 1.159 313 A CA 1.256 53.336 52.037 0.072 0.000 0.662 313 A CB -0.424 18.598 19.000 0.037 0.000 0.796 313 A HN 0.129 nan 8.150 nan 0.000 0.463 314 V N -1.175 118.702 119.914 -0.063 0.000 2.795 314 V HA -0.024 4.080 4.120 -0.027 0.000 0.243 314 V C 2.045 178.071 176.094 -0.114 0.000 1.069 314 V CA 1.048 63.245 62.300 -0.171 0.000 1.089 314 V CB -0.065 31.547 31.823 -0.352 0.000 0.756 314 V HN 0.536 nan 8.190 nan 0.000 0.471 315 I N -0.230 120.238 120.570 -0.170 0.000 3.083 315 I HA -0.095 4.058 4.170 -0.027 0.000 0.273 315 I C 1.696 177.790 176.117 -0.037 0.000 1.297 315 I CA 1.477 62.690 61.300 -0.146 0.000 1.452 315 I CB -0.415 37.457 38.000 -0.213 0.000 1.078 315 I HN 0.157 nan 8.210 nan 0.000 0.484 316 F N -0.774 119.198 119.950 0.037 0.000 2.317 316 F HA 0.083 4.594 4.527 -0.028 0.000 0.290 316 F C 2.193 178.034 175.800 0.069 0.000 1.075 316 F CA 0.639 58.691 58.000 0.086 0.000 1.380 316 F CB -1.149 37.878 39.000 0.045 0.000 1.093 316 F HN -0.019 nan 8.300 nan 0.000 0.524 317 L N 0.217 121.573 121.223 0.222 0.000 2.013 317 L HA -0.239 4.084 4.340 -0.027 0.000 0.212 317 L C 2.403 179.302 176.870 0.048 0.000 1.073 317 L CA 1.531 56.432 54.840 0.100 0.000 0.753 317 L CB -0.451 41.579 42.059 -0.048 0.000 0.890 317 L HN 0.167 nan 8.230 nan 0.000 0.432 318 I N -0.107 120.478 120.570 0.024 0.000 2.423 318 I HA -0.181 3.973 4.170 -0.027 0.000 0.254 318 I C 2.118 178.250 176.117 0.024 0.000 1.151 318 I CA 1.519 62.826 61.300 0.010 0.000 1.421 318 I CB -0.472 37.529 38.000 0.001 0.000 1.079 318 I HN 0.288 nan 8.210 nan 0.000 0.431 319 G N 1.470 110.320 108.800 0.083 0.000 2.480 319 G HA2 -0.184 3.760 3.960 -0.027 0.000 0.216 319 G HA3 -0.184 3.760 3.960 -0.027 0.000 0.216 319 G C 1.172 176.046 174.900 -0.044 0.000 1.200 319 G CA 0.759 45.888 45.100 0.050 0.000 0.782 319 G HN 0.474 nan 8.290 nan 0.000 0.554 320 I N 2.448 123.014 120.570 -0.006 0.000 2.566 320 I HA 0.113 4.266 4.170 -0.027 0.000 0.286 320 I C 1.011 177.098 176.117 -0.050 0.000 1.060 320 I CA 0.078 61.341 61.300 -0.061 0.000 2.222 320 I CB -0.516 37.441 38.000 -0.071 0.000 1.534 320 I HN 0.361 nan 8.210 nan 0.000 0.987 321 I N -0.722 119.809 120.570 -0.066 0.000 3.669 321 I HA 0.092 4.245 4.170 -0.027 0.000 0.255 321 I C 1.767 177.844 176.117 -0.067 0.000 1.144 321 I CA 0.153 61.425 61.300 -0.047 0.000 1.447 321 I CB -0.511 37.471 38.000 -0.030 0.000 1.622 321 I HN -0.058 nan 8.210 nan 0.000 0.435 322 V N 2.417 122.275 119.914 -0.093 0.000 2.231 322 V HA -0.363 3.741 4.120 -0.027 0.000 0.250 322 V C 3.099 179.123 176.094 -0.116 0.000 1.058 322 V CA 2.897 65.132 62.300 -0.107 0.000 1.022 322 V CB -1.363 30.374 31.823 -0.143 0.000 0.640 322 V HN 0.643 nan 8.190 nan 0.000 0.445 323 A N -0.330 122.397 122.820 -0.155 0.000 1.948 323 A HA -0.276 4.028 4.320 -0.027 0.000 0.220 323 A C 1.980 179.501 177.584 -0.105 0.000 1.177 323 A CA 2.380 54.324 52.037 -0.156 0.000 0.636 323 A CB -0.592 18.292 19.000 -0.194 0.000 0.815 323 A HN 0.608 nan 8.150 nan 0.000 0.449 324 N N -1.075 117.581 118.700 -0.074 0.000 2.299 324 N HA 0.115 4.838 4.740 -0.027 0.000 0.187 324 N C -0.599 174.906 175.510 -0.008 0.000 1.099 324 N CA 0.375 53.413 53.050 -0.020 0.000 0.867 324 N CB 0.685 39.168 38.487 -0.005 0.000 0.974 324 N HN 0.172 nan 8.380 nan 0.000 0.477 325 V N 2.929 122.824 119.914 -0.031 0.000 2.376 325 V HA 0.330 4.434 4.120 -0.027 0.000 0.287 325 V C -2.329 173.741 176.094 -0.040 0.000 1.015 325 V CA -1.847 60.433 62.300 -0.033 0.000 0.834 325 V CB 1.913 33.715 31.823 -0.034 0.000 1.001 325 V HN -0.103 nan 8.190 nan 0.000 0.428 326 P HA 0.107 nan 4.420 nan 0.000 0.260 326 P C 0.189 177.448 177.300 -0.067 0.000 1.185 326 P CA 0.328 63.405 63.100 -0.038 0.000 0.763 326 P CB 0.731 32.420 31.700 -0.019 0.000 0.776 327 E N 1.788 121.955 120.200 -0.055 0.000 2.216 327 E HA 0.035 4.368 4.350 -0.027 0.000 0.192 327 E C 2.034 178.604 176.600 -0.051 0.000 0.973 327 E CA 0.859 57.227 56.400 -0.054 0.000 0.851 327 E CB -0.261 29.408 29.700 -0.051 0.000 0.804 327 E HN 0.538 nan 8.360 nan 0.000 0.477 328 G N 0.201 108.976 108.800 -0.042 0.000 2.887 328 G HA2 -0.039 3.905 3.960 -0.027 0.000 0.211 328 G HA3 -0.039 3.905 3.960 -0.027 0.000 0.211 328 G C 1.319 176.198 174.900 -0.035 0.000 1.152 328 G CA -0.207 44.873 45.100 -0.033 0.000 0.769 328 G HN 0.066 nan 8.290 nan 0.000 0.541 329 L N 0.858 122.049 121.223 -0.054 0.000 2.012 329 L HA 0.006 4.329 4.340 -0.027 0.000 0.210 329 L C 2.712 179.542 176.870 -0.066 0.000 1.073 329 L CA 1.487 56.283 54.840 -0.072 0.000 0.748 329 L CB -0.384 41.594 42.059 -0.135 0.000 0.891 329 L HN 0.122 nan 8.230 nan 0.000 0.431 330 L N -0.869 120.306 121.223 -0.080 0.000 1.971 330 L HA -0.264 4.060 4.340 -0.027 0.000 0.215 330 L C 2.607 179.494 176.870 0.028 0.000 1.072 330 L CA 1.844 56.694 54.840 0.016 0.000 0.758 330 L CB -1.292 40.789 42.059 0.036 0.000 0.889 330 L HN 0.398 nan 8.230 nan 0.000 0.433 331 A N -0.736 122.076 122.820 -0.014 0.000 2.076 331 A HA -0.167 4.136 4.320 -0.027 0.000 0.220 331 A C 2.243 179.806 177.584 -0.035 0.000 1.160 331 A CA 2.079 54.086 52.037 -0.050 0.000 0.653 331 A CB -0.687 18.256 19.000 -0.095 0.000 0.801 331 A HN 0.493 nan 8.150 nan 0.000 0.455 332 T N -0.560 113.986 114.554 -0.014 0.000 2.623 332 T HA -0.100 4.234 4.350 -0.027 0.000 0.254 332 T C 1.868 176.581 174.700 0.022 0.000 1.075 332 T CA 1.352 63.454 62.100 0.002 0.000 1.177 332 T CB -0.783 68.087 68.868 0.004 0.000 0.869 332 T HN 0.097 nan 8.240 nan 0.000 0.403 333 V N 1.667 121.595 119.914 0.023 0.000 2.252 333 V HA -0.307 3.797 4.120 -0.027 0.000 0.255 333 V C 2.831 178.957 176.094 0.053 0.000 1.071 333 V CA 2.494 64.814 62.300 0.032 0.000 1.050 333 V CB -1.239 30.616 31.823 0.054 0.000 0.654 333 V HN 0.606 nan 8.190 nan 0.000 0.448 334 T N -0.499 114.097 114.554 0.071 0.000 2.665 334 T HA -0.201 4.132 4.350 -0.027 0.000 0.268 334 T C 1.838 176.614 174.700 0.127 0.000 1.035 334 T CA 1.850 64.010 62.100 0.100 0.000 1.151 334 T CB -0.291 68.643 68.868 0.109 0.000 0.862 334 T HN 0.301 nan 8.240 nan 0.000 0.438 335 V N 0.555 120.532 119.914 0.105 0.000 2.332 335 V HA -0.227 3.876 4.120 -0.027 0.000 0.248 335 V C 2.806 178.977 176.094 0.128 0.000 1.055 335 V CA 1.393 63.780 62.300 0.145 0.000 1.038 335 V CB -0.802 31.076 31.823 0.090 0.000 0.651 335 V HN 0.629 nan 8.190 nan 0.000 0.450 336 C N -0.663 118.691 119.300 0.089 0.000 2.418 336 C HA -0.177 4.267 4.460 -0.027 0.000 0.280 336 C C 2.596 177.622 174.990 0.059 0.000 1.223 336 C CA 1.284 60.347 59.018 0.074 0.000 1.736 336 C CB -1.066 26.701 27.740 0.045 0.000 2.056 336 C HN 0.507 nan 8.230 nan 0.000 0.459 337 L N 0.475 121.729 121.223 0.053 0.000 1.990 337 L HA -0.200 4.124 4.340 -0.027 0.000 0.213 337 L C 2.669 179.569 176.870 0.051 0.000 1.072 337 L CA 2.444 57.309 54.840 0.041 0.000 0.755 337 L CB -1.433 40.649 42.059 0.040 0.000 0.889 337 L HN 0.375 nan 8.230 nan 0.000 0.432 338 T N -0.323 114.287 114.554 0.094 0.000 2.624 338 T HA -0.270 4.064 4.350 -0.027 0.000 0.268 338 T C 1.962 176.707 174.700 0.075 0.000 1.041 338 T CA 1.839 64.006 62.100 0.111 0.000 1.159 338 T CB -0.460 68.530 68.868 0.204 0.000 0.863 338 T HN 0.187 nan 8.240 nan 0.000 0.434 339 L N 0.403 121.674 121.223 0.079 0.000 1.970 339 L HA -0.172 4.152 4.340 -0.027 0.000 0.212 339 L C 3.002 179.858 176.870 -0.023 0.000 1.071 339 L CA 1.650 56.515 54.840 0.042 0.000 0.751 339 L CB -1.264 40.838 42.059 0.072 0.000 0.889 339 L HN 0.286 nan 8.230 nan 0.000 0.432 340 T N -0.066 114.466 114.554 -0.037 0.000 2.685 340 T HA -0.269 4.064 4.350 -0.027 0.000 0.268 340 T C 1.859 176.530 174.700 -0.048 0.000 1.034 340 T CA 1.546 63.608 62.100 -0.064 0.000 1.149 340 T CB -0.327 68.513 68.868 -0.046 0.000 0.860 340 T HN 0.493 nan 8.240 nan 0.000 0.449 341 A N 1.327 124.131 122.820 -0.026 0.000 2.015 341 A HA -0.080 4.223 4.320 -0.027 0.000 0.219 341 A C 2.239 179.803 177.584 -0.032 0.000 1.163 341 A CA 1.085 53.104 52.037 -0.029 0.000 0.646 341 A CB -0.221 18.766 19.000 -0.022 0.000 0.806 341 A HN 0.257 nan 8.150 nan 0.000 0.448 342 K N -0.358 120.028 120.400 -0.023 0.000 2.217 342 K HA -0.050 4.254 4.320 -0.027 0.000 0.202 342 K C 1.876 178.454 176.600 -0.037 0.000 1.051 342 K CA 0.944 57.219 56.287 -0.021 0.000 0.952 342 K CB -0.218 32.282 32.500 -0.000 0.000 0.736 342 K HN 0.543 nan 8.250 nan 0.000 0.453 343 R N 0.229 120.696 120.500 -0.055 0.000 2.299 343 R HA 0.151 4.474 4.340 -0.027 0.000 0.197 343 R C 1.793 178.059 176.300 -0.057 0.000 0.971 343 R CA 0.319 56.379 56.100 -0.068 0.000 1.030 343 R CB 0.167 30.405 30.300 -0.104 0.000 0.932 343 R HN 0.100 nan 8.270 nan 0.000 0.477 344 M N -1.466 118.104 119.600 -0.050 0.000 2.545 344 M HA 0.149 4.612 4.480 -0.027 0.000 0.264 344 M C 2.059 178.334 176.300 -0.040 0.000 1.155 344 M CA 0.580 55.852 55.300 -0.047 0.000 1.162 344 M CB 0.427 32.997 32.600 -0.050 0.000 1.330 344 M HN 0.160 nan 8.290 nan 0.000 0.479 345 A N 0.674 123.472 122.820 -0.038 0.000 2.067 345 A HA -0.090 4.214 4.320 -0.027 0.000 0.219 345 A C 2.073 179.641 177.584 -0.027 0.000 1.158 345 A CA 1.222 53.240 52.037 -0.032 0.000 0.661 345 A CB -0.511 18.469 19.000 -0.033 0.000 0.801 345 A HN 0.410 nan 8.150 nan 0.000 0.452 346 R N -0.324 120.158 120.500 -0.030 0.000 2.193 346 R HA 0.019 4.342 4.340 -0.027 0.000 0.213 346 R C 0.589 176.874 176.300 -0.025 0.000 1.055 346 R CA 0.985 57.069 56.100 -0.027 0.000 0.995 346 R CB -0.051 30.231 30.300 -0.030 0.000 0.893 346 R HN 0.401 nan 8.270 nan 0.000 0.459 347 K N 0.693 121.075 120.400 -0.029 0.000 2.576 347 K HA 0.155 4.458 4.320 -0.027 0.000 0.209 347 K C -0.261 176.325 176.600 -0.022 0.000 1.049 347 K CA -0.209 56.062 56.287 -0.026 0.000 1.140 347 K CB 0.499 32.980 32.500 -0.032 0.000 0.871 347 K HN 0.028 nan 8.250 nan 0.000 0.479 348 N N 0.391 119.080 118.700 -0.018 0.000 2.741 348 N HA -0.174 4.549 4.740 -0.027 0.000 0.251 348 N C -0.710 174.790 175.510 -0.017 0.000 1.112 348 N CA 0.850 53.894 53.050 -0.010 0.000 0.750 348 N CB -1.893 36.593 38.487 -0.001 0.000 1.119 348 N HN 0.424 nan 8.380 nan 0.000 0.561 349 C N 1.143 120.425 119.300 -0.030 0.000 2.251 349 C HA 0.729 5.173 4.460 -0.027 0.000 0.323 349 C C 0.351 175.316 174.990 -0.042 0.000 1.241 349 C CA -0.972 58.021 59.018 -0.042 0.000 1.601 349 C CB -0.488 27.218 27.740 -0.056 0.000 2.251 349 C HN 0.322 nan 8.230 nan 0.000 0.488 350 L N 6.859 128.057 121.223 -0.040 0.000 2.358 350 L HA 0.924 5.247 4.340 -0.027 0.000 0.268 350 L C -0.490 176.346 176.870 -0.055 0.000 1.032 350 L CA -0.056 54.758 54.840 -0.043 0.000 0.805 350 L CB 2.069 44.111 42.059 -0.027 0.000 1.253 350 L HN 0.597 nan 8.230 nan 0.000 0.452 351 V N 1.921 121.798 119.914 -0.062 0.000 3.114 351 V HA 0.484 4.588 4.120 -0.027 0.000 0.308 351 V C -0.042 176.004 176.094 -0.080 0.000 1.168 351 V CA -0.773 61.486 62.300 -0.069 0.000 1.015 351 V CB 1.914 33.698 31.823 -0.065 0.000 1.050 351 V HN 0.818 nan 8.190 nan 0.000 0.433 352 K N 0.431 120.783 120.400 -0.080 0.000 2.365 352 K HA 0.309 4.612 4.320 -0.027 0.000 0.195 352 K C 0.003 176.548 176.600 -0.091 0.000 1.079 352 K CA 0.018 56.250 56.287 -0.092 0.000 0.979 352 K CB 0.387 32.836 32.500 -0.084 0.000 0.929 352 K HN 0.585 nan 8.250 nan 0.000 0.523 353 N N 0.642 119.297 118.700 -0.074 0.000 2.384 353 N HA 0.163 4.887 4.740 -0.027 0.000 0.301 353 N C -0.049 175.430 175.510 -0.051 0.000 1.133 353 N CA -0.434 52.578 53.050 -0.063 0.000 0.853 353 N CB 1.674 40.127 38.487 -0.057 0.000 1.241 353 N HN -0.143 nan 8.380 nan 0.000 0.502 354 L N 1.254 122.455 121.223 -0.036 0.000 2.307 354 L HA 0.189 4.513 4.340 -0.027 0.000 0.211 354 L C 1.381 178.242 176.870 -0.014 0.000 1.099 354 L CA 1.585 56.416 54.840 -0.016 0.000 0.816 354 L CB -0.377 41.688 42.059 0.011 0.000 0.952 354 L HN 0.649 nan 8.230 nan 0.000 0.455 355 E N -0.822 119.365 120.200 -0.023 0.000 2.152 355 E HA -0.106 4.228 4.350 -0.027 0.000 0.192 355 E C 2.215 178.799 176.600 -0.026 0.000 0.983 355 E CA 0.812 57.198 56.400 -0.024 0.000 0.818 355 E CB -0.131 29.548 29.700 -0.035 0.000 0.758 355 E HN 0.521 nan 8.360 nan 0.000 0.467 356 A N 1.139 123.938 122.820 -0.035 0.000 1.917 356 A HA -0.198 4.105 4.320 -0.027 0.000 0.219 356 A C 2.469 180.032 177.584 -0.036 0.000 1.182 356 A CA 1.309 53.322 52.037 -0.041 0.000 0.633 356 A CB -0.901 18.068 19.000 -0.050 0.000 0.819 356 A HN 0.142 nan 8.150 nan 0.000 0.448 357 V N 0.262 120.157 119.914 -0.031 0.000 2.428 357 V HA -0.298 3.805 4.120 -0.027 0.000 0.255 357 V C 2.625 178.708 176.094 -0.018 0.000 1.080 357 V CA 2.457 64.740 62.300 -0.028 0.000 1.083 357 V CB -0.614 31.197 31.823 -0.019 0.000 0.665 357 V HN 0.683 nan 8.190 nan 0.000 0.461 358 E N -0.161 120.035 120.200 -0.006 0.000 2.102 358 E HA -0.108 4.225 4.350 -0.027 0.000 0.190 358 E C 2.280 178.876 176.600 -0.006 0.000 0.971 358 E CA 1.325 57.734 56.400 0.016 0.000 0.821 358 E CB -0.114 29.617 29.700 0.051 0.000 0.777 358 E HN 0.645 nan 8.360 nan 0.000 0.460 359 T N 2.181 116.721 114.554 -0.022 0.000 2.760 359 T HA -0.202 4.132 4.350 -0.027 0.000 0.269 359 T C 1.760 176.428 174.700 -0.054 0.000 1.047 359 T CA 1.010 63.087 62.100 -0.038 0.000 1.139 359 T CB -0.232 68.610 68.868 -0.044 0.000 0.855 359 T HN 0.052 nan 8.240 nan 0.000 0.471 360 L N 0.922 122.110 121.223 -0.058 0.000 2.353 360 L HA 0.111 4.434 4.340 -0.027 0.000 0.220 360 L C 2.320 179.145 176.870 -0.074 0.000 1.133 360 L CA 1.320 56.117 54.840 -0.071 0.000 0.798 360 L CB -0.801 41.211 42.059 -0.079 0.000 0.922 360 L HN 0.395 nan 8.230 nan 0.000 0.445 361 G N -3.526 105.231 108.800 -0.073 0.000 3.044 361 G HA2 -0.004 3.940 3.960 -0.027 0.000 0.223 361 G HA3 -0.004 3.940 3.960 -0.027 0.000 0.223 361 G C 1.280 176.104 174.900 -0.126 0.000 1.123 361 G CA 0.409 45.455 45.100 -0.090 0.000 0.765 361 G HN 0.321 nan 8.290 nan 0.000 0.546 362 S N 0.892 116.521 115.700 -0.118 0.000 2.575 362 S HA 0.110 4.564 4.470 -0.027 0.000 0.215 362 S C 0.914 175.455 174.600 -0.098 0.000 0.966 362 S CA -0.108 58.011 58.200 -0.136 0.000 0.911 362 S CB 0.233 63.368 63.200 -0.109 0.000 0.780 362 S HN 0.314 nan 8.310 nan 0.000 0.514 363 T N 2.172 116.676 114.554 -0.083 0.000 2.907 363 T HA 0.239 4.572 4.350 -0.027 0.000 0.298 363 T C 1.149 175.813 174.700 -0.060 0.000 1.017 363 T CA -0.250 61.810 62.100 -0.067 0.000 1.118 363 T CB 1.292 70.122 68.868 -0.064 0.000 0.948 363 T HN 0.309 nan 8.240 nan 0.000 0.531 364 S N 0.111 115.781 115.700 -0.048 0.000 2.589 364 S HA 0.250 4.703 4.470 -0.027 0.000 0.235 364 S C 0.423 175.008 174.600 -0.025 0.000 1.051 364 S CA -0.419 57.758 58.200 -0.038 0.000 0.978 364 S CB 0.480 63.657 63.200 -0.038 0.000 0.929 364 S HN 0.611 nan 8.310 nan 0.000 0.523 365 T N 2.474 117.013 114.554 -0.025 0.000 3.293 365 T HA 0.488 4.822 4.350 -0.027 0.000 0.320 365 T C -1.103 173.588 174.700 -0.015 0.000 0.995 365 T CA -0.349 61.743 62.100 -0.013 0.000 1.041 365 T CB 1.278 70.140 68.868 -0.010 0.000 1.058 365 T HN 0.217 nan 8.240 nan 0.000 0.453 366 I N 2.431 122.999 120.570 -0.003 0.000 2.321 366 I HA 0.372 4.525 4.170 -0.027 0.000 0.291 366 I C 0.091 176.217 176.117 0.014 0.000 0.998 366 I CA -0.632 60.668 61.300 -0.001 0.000 1.227 366 I CB 0.947 38.953 38.000 0.009 0.000 1.368 366 I HN 0.541 nan 8.210 nan 0.000 0.466 367 C N 4.864 124.164 119.300 0.000 0.000 2.307 367 C HA 0.569 5.013 4.460 -0.027 0.000 0.340 367 C C 0.775 175.775 174.990 0.017 0.000 1.275 367 C CA -0.101 58.918 59.018 0.002 0.000 1.811 367 C CB 0.631 28.352 27.740 -0.033 0.000 2.372 367 C HN 0.852 nan 8.230 nan 0.000 0.531 371 T N 0.713 115.227 114.554 -0.067 0.000 2.851 371 T HA 0.367 4.700 4.350 -0.027 0.000 0.298 371 T C 0.796 175.460 174.700 -0.061 0.000 0.977 371 T CA 0.996 63.057 62.100 -0.065 0.000 1.126 371 T CB 1.155 69.986 68.868 -0.063 0.000 0.916 371 T HN 0.644 nan 8.240 nan 0.000 0.529 372 G N 3.205 111.969 108.800 -0.059 0.000 2.304 372 G HA2 -0.329 3.615 3.960 -0.027 0.000 0.252 372 G HA3 -0.329 3.615 3.960 -0.027 0.000 0.252 372 G C 0.985 175.858 174.900 -0.045 0.000 1.014 372 G CA 0.765 45.835 45.100 -0.051 0.000 0.619 372 G HN 0.707 nan 8.290 nan 0.000 0.525 373 T N 0.342 114.864 114.554 -0.053 0.000 3.395 373 T HA 0.327 4.660 4.350 -0.027 0.000 0.230 373 T C 2.312 176.915 174.700 -0.161 0.000 0.958 373 T CA 0.938 63.017 62.100 -0.035 0.000 1.377 373 T CB -0.245 68.624 68.868 0.003 0.000 1.124 373 T HN 0.133 nan 8.240 nan 0.000 0.425 374 L N 1.660 122.755 121.223 -0.212 0.000 2.217 374 L HA 0.078 4.402 4.340 -0.027 0.000 0.211 374 L C 1.743 178.467 176.870 -0.243 0.000 1.107 374 L CA 0.699 55.335 54.840 -0.340 0.000 0.783 374 L CB -0.511 41.401 42.059 -0.244 0.000 0.919 374 L HN 0.485 nan 8.230 nan 0.000 0.442 375 T N -4.582 109.880 114.554 -0.153 0.000 2.876 375 T HA 0.242 4.575 4.350 -0.027 0.000 0.277 375 T C 0.503 175.149 174.700 -0.089 0.000 0.997 375 T CA -0.683 61.350 62.100 -0.112 0.000 0.966 375 T CB 1.207 70.025 68.868 -0.083 0.000 1.312 375 T HN 0.085 nan 8.240 nan 0.000 0.598 376 Q N -0.139 119.621 119.800 -0.068 0.000 2.246 376 Q HA 0.247 4.570 4.340 -0.027 0.000 0.222 376 Q C -0.006 175.970 176.000 -0.041 0.000 0.851 376 Q CA -0.268 55.505 55.803 -0.051 0.000 0.945 376 Q CB 0.192 28.904 28.738 -0.044 0.000 1.122 376 Q HN 0.727 nan 8.270 nan 0.000 0.508 377 N N 2.096 120.770 118.700 -0.044 0.000 2.671 377 N HA -0.217 4.506 4.740 -0.027 0.000 0.261 377 N C -1.276 174.218 175.510 -0.027 0.000 1.053 377 N CA 0.836 53.864 53.050 -0.037 0.000 0.732 377 N CB -0.637 37.827 38.487 -0.039 0.000 0.887 377 N HN 0.439 nan 8.380 nan 0.000 0.546 378 R N 1.548 122.033 120.500 -0.025 0.000 2.658 378 R HA 0.190 4.514 4.340 -0.027 0.000 0.287 378 R C -0.517 175.772 176.300 -0.017 0.000 1.209 378 R CA -0.732 55.358 56.100 -0.017 0.000 1.046 378 R CB 0.314 30.608 30.300 -0.011 0.000 1.247 378 R HN 0.196 nan 8.270 nan 0.000 0.405 379 M N 2.574 122.166 119.600 -0.013 0.000 2.255 379 M HA 0.070 4.534 4.480 -0.027 0.000 0.356 379 M C -0.876 175.416 176.300 -0.013 0.000 1.338 379 M CA 1.603 56.896 55.300 -0.012 0.000 0.962 379 M CB 0.643 33.238 32.600 -0.009 0.000 1.877 379 M HN 0.583 nan 8.290 nan 0.000 0.463 380 T N 3.581 118.122 114.554 -0.022 0.000 2.993 380 T HA 0.402 4.735 4.350 -0.027 0.000 0.312 380 T C -1.013 173.658 174.700 -0.048 0.000 1.115 380 T CA -0.820 61.261 62.100 -0.031 0.000 1.027 380 T CB 1.349 70.192 68.868 -0.042 0.000 1.116 380 T HN 0.343 nan 8.240 nan 0.000 0.464 381 V N 3.126 123.008 119.914 -0.052 0.000 2.434 381 V HA 0.262 4.366 4.120 -0.027 0.000 0.281 381 V C 1.230 177.234 176.094 -0.149 0.000 1.005 381 V CA 0.769 63.025 62.300 -0.074 0.000 1.089 381 V CB 0.080 31.862 31.823 -0.068 0.000 0.978 381 V HN 1.169 nan 8.190 nan 0.000 0.474 382 A N 4.613 127.341 122.820 -0.155 0.000 1.909 382 A HA 0.238 4.541 4.320 -0.027 0.000 0.210 382 A C 0.801 178.072 177.584 -0.523 0.000 1.273 382 A CA 0.624 52.473 52.037 -0.314 0.000 0.654 382 A CB 0.006 18.877 19.000 -0.215 0.000 0.945 382 A HN 0.824 nan 8.150 nan 0.000 0.471 383 H N -2.663 116.376 119.070 -0.052 0.000 2.894 383 H HA 0.770 5.310 4.556 -0.028 0.000 0.368 383 H C -1.129 174.211 175.328 0.020 0.000 1.181 383 H CA -0.616 55.417 56.048 -0.026 0.000 1.146 383 H CB 1.741 31.514 29.762 0.019 0.000 1.839 383 H HN 0.278 nan 8.280 nan 0.000 0.557 384 M N 0.926 120.669 119.600 0.239 0.000 2.421 384 M HA 0.167 4.631 4.480 -0.027 0.000 0.287 384 M C -1.729 174.816 176.300 0.409 0.000 1.183 384 M CA -0.357 55.096 55.300 0.255 0.000 0.916 384 M CB 2.816 35.505 32.600 0.148 0.000 1.701 384 M HN 0.580 nan 8.290 nan 0.000 0.470 385 W N 3.677 125.111 121.300 0.224 0.000 2.351 385 W HA 0.683 5.327 4.660 -0.027 0.000 0.320 385 W C -0.879 175.805 176.519 0.275 0.000 0.947 385 W CA -0.350 57.139 57.345 0.240 0.000 1.565 385 W CB 0.836 30.422 29.460 0.211 0.000 1.409 385 W HN 0.614 nan 8.180 nan 0.000 0.399 386 S N 2.634 118.327 115.700 -0.011 0.000 2.542 386 S HA 0.474 4.928 4.470 -0.027 0.000 0.293 386 S C -0.523 173.932 174.600 -0.242 0.000 1.089 386 S CA -0.681 57.429 58.200 -0.150 0.000 0.961 386 S CB 2.032 65.243 63.200 0.019 0.000 1.062 386 S HN 0.358 nan 8.310 nan 0.000 0.483 387 D N 1.086 121.264 120.400 -0.370 0.000 2.800 387 D HA -0.163 4.460 4.640 -0.027 0.000 0.232 387 D C 0.222 176.288 176.300 -0.389 0.000 1.137 387 D CA 1.386 55.151 54.000 -0.392 0.000 0.718 387 D CB -1.839 38.757 40.800 -0.340 0.000 1.084 387 D HN 0.894 nan 8.370 nan 0.000 0.432 388 N N -0.125 118.154 118.700 -0.701 0.000 2.710 388 N HA -0.289 4.435 4.740 -0.027 0.000 0.249 388 N C -0.673 174.720 175.510 -0.196 0.000 1.059 388 N CA 1.779 54.529 53.050 -0.500 0.000 0.720 388 N CB -0.443 38.027 38.487 -0.028 0.000 0.983 388 N HN 0.795 nan 8.380 nan 0.000 0.544 389 Q N 0.124 119.693 119.800 -0.384 0.000 2.289 389 Q HA 0.355 4.679 4.340 -0.027 0.000 0.270 389 Q C -0.811 175.087 176.000 -0.170 0.000 1.038 389 Q CA -0.861 54.829 55.803 -0.188 0.000 0.812 389 Q CB 0.869 29.442 28.738 -0.274 0.000 1.300 389 Q HN 0.184 nan 8.270 nan 0.000 0.427 390 I N 4.693 125.265 120.570 0.003 0.000 2.436 390 I HA 0.153 4.306 4.170 -0.027 0.000 0.289 390 I C -0.027 176.021 176.117 -0.115 0.000 1.083 390 I CA 0.241 61.583 61.300 0.070 0.000 1.372 390 I CB -0.353 37.688 38.000 0.067 0.000 1.408 390 I HN 0.674 nan 8.210 nan 0.000 0.516 391 H N 4.247 123.412 119.070 0.157 0.000 2.544 391 H HA 0.529 5.068 4.556 -0.028 0.000 0.342 391 H C -0.120 175.300 175.328 0.153 0.000 1.185 391 H CA -0.811 55.325 56.048 0.146 0.000 1.264 391 H CB 1.402 31.282 29.762 0.197 0.000 1.607 391 H HN 0.550 nan 8.280 nan 0.000 0.550 392 E N 0.649 120.964 120.200 0.192 0.000 2.275 392 E HA 0.690 5.024 4.350 -0.027 0.000 0.270 392 E C -1.363 175.083 176.600 -0.257 0.000 0.882 392 E CA -1.410 54.998 56.400 0.013 0.000 0.758 392 E CB 1.872 31.656 29.700 0.140 0.000 1.195 392 E HN 0.650 nan 8.360 nan 0.000 0.419 393 A N 2.611 125.163 122.820 -0.447 0.000 2.287 393 A HA 0.307 4.611 4.320 -0.027 0.000 0.273 393 A C -0.289 177.131 177.584 -0.273 0.000 1.091 393 A CA -0.535 51.213 52.037 -0.482 0.000 0.817 393 A CB 0.714 19.416 19.000 -0.498 0.000 1.069 393 A HN 0.782 nan 8.150 nan 0.000 0.492 394 D N -0.229 120.058 120.400 -0.188 0.000 2.308 394 D HA 0.335 4.958 4.640 -0.027 0.000 0.251 394 D C 1.083 177.315 176.300 -0.114 0.000 1.127 394 D CA 0.779 54.711 54.000 -0.113 0.000 0.876 394 D CB 0.965 41.729 40.800 -0.059 0.000 1.176 394 D HN 0.476 nan 8.370 nan 0.000 0.446 395 T N -1.199 113.295 114.554 -0.100 0.000 3.040 395 T HA 0.136 4.469 4.350 -0.027 0.000 0.266 395 T C 0.931 175.592 174.700 -0.065 0.000 1.005 395 T CA -0.153 61.891 62.100 -0.094 0.000 0.906 395 T CB -0.303 68.498 68.868 -0.111 0.000 1.082 395 T HN 0.413 nan 8.240 nan 0.000 0.531 396 T N 0.332 114.854 114.554 -0.053 0.000 2.849 396 T HA 0.373 4.706 4.350 -0.027 0.000 0.284 396 T C 0.958 175.639 174.700 -0.032 0.000 1.004 396 T CA -0.464 61.611 62.100 -0.041 0.000 1.021 396 T CB 1.406 70.254 68.868 -0.033 0.000 1.013 396 T HN 0.090 nan 8.240 nan 0.000 0.527 397 E N 1.283 121.467 120.200 -0.026 0.000 2.051 397 E HA -0.112 4.221 4.350 -0.027 0.000 0.192 397 E C 1.459 178.050 176.600 -0.016 0.000 0.991 397 E CA 1.498 57.886 56.400 -0.019 0.000 0.799 397 E CB -0.233 29.457 29.700 -0.015 0.000 0.748 397 E HN 0.847 nan 8.360 nan 0.000 0.449 398 N N 0.699 119.390 118.700 -0.015 0.000 2.276 398 N HA -0.027 4.697 4.740 -0.027 0.000 0.212 398 N C -0.659 174.843 175.510 -0.013 0.000 1.127 398 N CA -0.050 52.993 53.050 -0.012 0.000 0.834 398 N CB 0.214 38.695 38.487 -0.010 0.000 1.014 398 N HN -0.134 nan 8.380 nan 0.000 0.491 399 Q N -0.273 119.517 119.800 -0.016 0.000 2.439 399 Q HA -0.154 4.169 4.340 -0.027 0.000 0.361 399 Q C -0.184 175.808 176.000 -0.013 0.000 1.408 399 Q CA 0.536 56.329 55.803 -0.016 0.000 1.052 399 Q CB -2.261 26.471 28.738 -0.010 0.000 1.233 399 Q HN 0.485 nan 8.270 nan 0.000 0.347 400 S N -1.554 114.137 115.700 -0.015 0.000 2.501 400 S HA 0.088 4.541 4.470 -0.027 0.000 0.220 400 S C 1.208 175.801 174.600 -0.011 0.000 0.997 400 S CA 0.390 58.583 58.200 -0.012 0.000 0.919 400 S CB 0.437 63.630 63.200 -0.012 0.000 0.778 400 S HN 0.696 nan 8.310 nan 0.000 0.523 401 G N 1.337 110.128 108.800 -0.015 0.000 2.580 401 G HA2 0.465 4.408 3.960 -0.027 0.000 0.225 401 G HA3 0.465 4.408 3.960 -0.027 0.000 0.225 401 G C -0.380 174.518 174.900 -0.003 0.000 1.521 401 G CA -0.145 44.947 45.100 -0.012 0.000 1.068 401 G HN 0.247 nan 8.290 nan 0.000 0.564 402 V N -0.918 118.999 119.914 0.005 0.000 3.130 402 V HA 0.551 4.655 4.120 -0.027 0.000 0.310 402 V C 0.319 176.443 176.094 0.050 0.000 1.158 402 V CA -0.498 61.814 62.300 0.019 0.000 1.029 402 V CB 1.568 33.401 31.823 0.018 0.000 1.057 402 V HN 1.044 nan 8.190 nan 0.000 0.436 403 S N 1.151 116.887 115.700 0.060 0.000 2.592 403 S HA 0.405 4.859 4.470 -0.027 0.000 0.271 403 S C 0.615 175.315 174.600 0.166 0.000 1.326 403 S CA -0.049 58.231 58.200 0.134 0.000 1.024 403 S CB 0.476 63.678 63.200 0.003 0.000 0.921 403 S HN 0.734 nan 8.310 nan 0.000 0.527 404 F N 0.137 119.988 119.950 -0.164 0.000 2.148 404 F HA 0.509 5.020 4.527 -0.027 0.000 0.285 404 F C 0.628 176.341 175.800 -0.145 0.000 1.092 404 F CA -0.116 57.810 58.000 -0.123 0.000 1.218 404 F CB -0.061 38.852 39.000 -0.144 0.000 1.059 404 F HN 0.589 nan 8.300 nan 0.000 0.490 405 D N -1.089 118.629 120.400 -1.136 0.000 2.722 405 D HA 0.184 4.808 4.640 -0.027 0.000 0.231 405 D C -0.614 174.963 176.300 -1.206 0.000 1.218 405 D CA -0.638 52.853 54.000 -0.847 0.000 0.753 405 D CB 1.820 42.306 40.800 -0.523 0.000 1.471 405 D HN 0.082 nan 8.370 nan 0.000 0.455 406 K N 1.519 121.540 120.400 -0.631 0.000 2.588 406 K HA 0.054 4.358 4.320 -0.027 0.000 0.216 406 K C 1.068 177.622 176.600 -0.076 0.000 1.382 406 K CA 0.830 56.867 56.287 -0.416 0.000 1.008 406 K CB 0.232 32.566 32.500 -0.278 0.000 1.138 406 K HN 0.581 nan 8.250 nan 0.000 0.619 407 T N -1.212 113.278 114.554 -0.107 0.000 2.698 407 T HA -0.014 4.320 4.350 -0.027 0.000 0.260 407 T C 1.249 175.963 174.700 0.024 0.000 1.044 407 T CA 0.954 63.039 62.100 -0.024 0.000 1.149 407 T CB -0.408 68.442 68.868 -0.029 0.000 0.864 407 T HN 0.092 nan 8.240 nan 0.000 0.419 408 S N 0.825 116.536 115.700 0.018 0.000 2.561 408 S HA 0.327 4.780 4.470 -0.027 0.000 0.294 408 S C 1.591 176.238 174.600 0.079 0.000 1.294 408 S CA 0.043 58.276 58.200 0.055 0.000 1.055 408 S CB 0.241 63.453 63.200 0.020 0.000 0.819 408 S HN 0.694 nan 8.310 nan 0.000 0.503 409 A N 4.482 127.340 122.820 0.065 0.000 1.930 409 A HA 0.001 4.305 4.320 -0.027 0.000 0.217 409 A C 2.285 179.888 177.584 0.032 0.000 1.175 409 A CA 1.984 54.049 52.037 0.047 0.000 0.627 409 A CB -1.522 17.506 19.000 0.047 0.000 0.815 409 A HN 0.908 nan 8.150 nan 0.000 0.443 410 T N -0.760 113.808 114.554 0.024 0.000 2.699 410 T HA -0.251 4.082 4.350 -0.027 0.000 0.268 410 T C 1.564 176.274 174.700 0.018 0.000 1.036 410 T CA 1.391 63.489 62.100 -0.005 0.000 1.147 410 T CB -0.496 68.339 68.868 -0.056 0.000 0.862 410 T HN 0.750 nan 8.240 nan 0.000 0.446 411 W N 1.897 123.119 121.300 -0.131 0.000 2.318 411 W HA -0.199 4.444 4.660 -0.028 0.000 0.313 411 W C 1.585 178.042 176.519 -0.103 0.000 1.221 411 W CA 1.010 58.270 57.345 -0.142 0.000 1.266 411 W CB -0.477 28.862 29.460 -0.203 0.000 1.150 411 W HN 0.264 nan 8.180 nan 0.000 0.496 412 L N 1.194 122.175 121.223 -0.403 0.000 2.046 412 L HA -0.185 4.139 4.340 -0.027 0.000 0.208 412 L C 2.916 179.561 176.870 -0.375 0.000 1.077 412 L CA 1.523 56.058 54.840 -0.507 0.000 0.747 412 L CB -1.465 40.467 42.059 -0.213 0.000 0.896 412 L HN 0.004 nan 8.230 nan 0.000 0.432 413 A N -0.296 122.415 122.820 -0.180 0.000 2.067 413 A HA -0.158 4.145 4.320 -0.027 0.000 0.219 413 A C 2.172 179.663 177.584 -0.154 0.000 1.158 413 A CA 1.310 53.316 52.037 -0.050 0.000 0.661 413 A CB -0.390 18.665 19.000 0.093 0.000 0.801 413 A HN 0.341 nan 8.150 nan 0.000 0.452 414 L N -0.840 120.214 121.223 -0.280 0.000 2.127 414 L HA 0.054 4.378 4.340 -0.027 0.000 0.203 414 L C 2.536 179.114 176.870 -0.487 0.000 1.080 414 L CA 2.295 56.941 54.840 -0.322 0.000 0.768 414 L CB -0.684 41.247 42.059 -0.213 0.000 0.924 414 L HN 0.297 nan 8.230 nan 0.000 0.444 415 S N -0.561 114.638 115.700 -0.836 0.000 2.382 415 S HA -0.248 4.205 4.470 -0.027 0.000 0.228 415 S C 2.317 176.625 174.600 -0.486 0.000 1.027 415 S CA 1.490 59.161 58.200 -0.881 0.000 0.991 415 S CB -0.341 62.035 63.200 -1.373 0.000 0.823 415 S HN 0.511 nan 8.310 nan 0.000 0.469 416 R N 0.264 120.508 120.500 -0.426 0.000 2.073 416 R HA 0.017 4.340 4.340 -0.027 0.000 0.234 416 R C 2.278 178.420 176.300 -0.263 0.000 1.134 416 R CA 1.919 57.797 56.100 -0.370 0.000 0.952 416 R CB -0.407 29.693 30.300 -0.333 0.000 0.850 416 R HN 0.517 nan 8.270 nan 0.000 0.433 417 I N 0.296 120.785 120.570 -0.135 0.000 2.179 417 I HA -0.241 3.912 4.170 -0.027 0.000 0.242 417 I C 2.495 178.678 176.117 0.110 0.000 1.088 417 I CA 1.333 62.651 61.300 0.030 0.000 1.357 417 I CB -0.453 37.673 38.000 0.209 0.000 1.051 417 I HN 0.284 nan 8.210 nan 0.000 0.409 418 A N 0.820 123.685 122.820 0.075 0.000 1.969 418 A HA -0.073 4.230 4.320 -0.027 0.000 0.218 418 A C 2.371 179.963 177.584 0.013 0.000 1.169 418 A CA 1.792 53.914 52.037 0.141 0.000 0.635 418 A CB -1.138 17.810 19.000 -0.087 0.000 0.810 418 A HN 0.486 nan 8.150 nan 0.000 0.445 419 G N -1.249 107.494 108.800 -0.096 0.000 2.494 419 G HA2 0.182 4.125 3.960 -0.027 0.000 0.216 419 G HA3 0.182 4.125 3.960 -0.027 0.000 0.216 419 G C 1.235 176.049 174.900 -0.144 0.000 1.140 419 G CA 0.784 45.808 45.100 -0.126 0.000 0.801 419 G HN 0.329 nan 8.290 nan 0.000 0.536 420 L N -0.010 121.099 121.223 -0.190 0.000 2.269 420 L HA 0.313 4.636 4.340 -0.027 0.000 0.200 420 L C 1.725 178.563 176.870 -0.054 0.000 1.069 420 L CA -0.067 54.615 54.840 -0.263 0.000 0.804 420 L CB -0.666 41.013 42.059 -0.633 0.000 0.987 420 L HN 0.190 nan 8.230 nan 0.000 0.468 421 C N 3.060 122.368 119.300 0.012 0.000 3.031 421 C HA 0.390 4.834 4.460 -0.027 0.000 0.489 421 C C 0.340 175.362 174.990 0.053 0.000 1.020 421 C CA -0.152 58.916 59.018 0.083 0.000 1.104 421 C CB -2.796 24.985 27.740 0.068 0.000 1.470 421 C HN 0.500 nan 8.230 nan 0.000 0.583 422 N N 2.176 120.900 118.700 0.040 0.000 2.846 422 N HA 0.262 4.986 4.740 -0.027 0.000 0.248 422 N C -0.248 175.260 175.510 -0.004 0.000 1.097 422 N CA -0.541 52.514 53.050 0.008 0.000 1.013 422 N CB 1.017 39.497 38.487 -0.011 0.000 1.686 422 N HN 0.606 nan 8.380 nan 0.000 0.520 423 R N 0.626 121.115 120.500 -0.019 0.000 2.476 423 R HA 0.428 4.752 4.340 -0.027 0.000 0.276 423 R C 0.389 176.658 176.300 -0.052 0.000 0.941 423 R CA -0.345 55.742 56.100 -0.021 0.000 1.088 423 R CB 0.799 31.097 30.300 -0.005 0.000 1.216 423 R HN 0.470 nan 8.270 nan 0.000 0.533 424 A N 1.722 124.491 122.820 -0.085 0.000 2.425 424 A HA 0.472 4.776 4.320 -0.027 0.000 0.249 424 A C 0.270 177.735 177.584 -0.198 0.000 1.084 424 A CA -0.311 51.645 52.037 -0.134 0.000 0.781 424 A CB 0.499 19.402 19.000 -0.161 0.000 1.019 424 A HN 0.101 nan 8.150 nan 0.000 0.490 425 V N -0.572 119.221 119.914 -0.201 0.000 2.841 425 V HA 0.690 4.793 4.120 -0.027 0.000 0.310 425 V C -0.635 175.340 176.094 -0.198 0.000 1.090 425 V CA -1.076 61.096 62.300 -0.212 0.000 0.930 425 V CB 1.237 33.019 31.823 -0.070 0.000 1.014 425 V HN 0.670 nan 8.190 nan 0.000 0.425 426 F N 2.898 122.852 119.950 0.006 0.000 2.543 426 F HA 0.299 4.809 4.527 -0.027 0.000 0.375 426 F C 1.371 177.174 175.800 0.006 0.000 1.075 426 F CA -0.024 57.979 58.000 0.005 0.000 1.225 426 F CB 0.640 39.643 39.000 0.005 0.000 1.099 426 F HN 0.555 nan 8.300 nan 0.000 0.561 427 Q N 2.319 122.233 119.800 0.190 0.000 2.354 427 Q HA 0.072 4.396 4.340 -0.027 0.000 0.310 427 Q C 0.219 176.281 176.000 0.103 0.000 1.104 427 Q CA -0.003 55.865 55.803 0.109 0.000 0.968 427 Q CB 0.427 29.215 28.738 0.083 0.000 1.251 427 Q HN 0.755 nan 8.270 nan 0.000 0.411 428 A N 3.260 126.121 122.820 0.068 0.000 2.445 428 A HA 0.136 4.440 4.320 -0.027 0.000 0.242 428 A C 0.250 177.857 177.584 0.038 0.000 1.075 428 A CA -0.263 51.806 52.037 0.053 0.000 0.777 428 A CB 0.119 19.142 19.000 0.039 0.000 1.013 428 A HN 0.864 nan 8.150 nan 0.000 0.493 429 N N 0.551 119.267 118.700 0.027 0.000 2.725 429 N HA -0.132 4.591 4.740 -0.027 0.000 0.256 429 N C -0.233 175.279 175.510 0.004 0.000 1.087 429 N CA 1.382 54.439 53.050 0.012 0.000 0.690 429 N CB -1.314 37.180 38.487 0.012 0.000 0.891 429 N HN 0.818 nan 8.380 nan 0.000 0.553 430 Q N -0.854 118.940 119.800 -0.011 0.000 2.023 430 Q HA 0.105 4.428 4.340 -0.027 0.000 0.211 430 Q C 0.289 176.244 176.000 -0.075 0.000 0.787 430 Q CA -0.195 55.587 55.803 -0.034 0.000 1.035 430 Q CB 0.531 29.253 28.738 -0.026 0.000 1.221 430 Q HN 0.379 nan 8.270 nan 0.000 0.443 431 E N 0.626 120.788 120.200 -0.063 0.000 2.515 431 E HA -0.108 4.225 4.350 -0.027 0.000 0.201 431 E C 1.425 177.987 176.600 -0.064 0.000 1.071 431 E CA 0.298 56.652 56.400 -0.077 0.000 0.880 431 E CB 0.193 29.862 29.700 -0.051 0.000 0.828 431 E HN 0.262 nan 8.360 nan 0.000 0.540 432 N N 0.595 119.264 118.700 -0.051 0.000 2.258 432 N HA -0.027 4.696 4.740 -0.027 0.000 0.183 432 N C 0.469 175.952 175.510 -0.046 0.000 1.029 432 N CA 0.218 53.244 53.050 -0.041 0.000 0.857 432 N CB 0.286 38.756 38.487 -0.028 0.000 1.008 432 N HN 0.064 nan 8.380 nan 0.000 0.433 433 L N 2.406 123.599 121.223 -0.049 0.000 2.397 433 L HA 0.271 4.594 4.340 -0.027 0.000 0.271 433 L C -1.941 174.887 176.870 -0.070 0.000 1.148 433 L CA -1.637 53.174 54.840 -0.047 0.000 0.825 433 L CB 0.652 42.691 42.059 -0.034 0.000 1.117 433 L HN 0.109 nan 8.230 nan 0.000 0.456 434 P HA -0.048 nan 4.420 nan 0.000 0.269 434 P C 0.862 178.110 177.300 -0.086 0.000 1.211 434 P CA -0.286 62.777 63.100 -0.062 0.000 0.781 434 P CB 0.443 32.121 31.700 -0.037 0.000 0.877 435 I N 0.994 121.503 120.570 -0.102 0.000 2.208 435 I HA -0.200 3.953 4.170 -0.027 0.000 0.245 435 I C 1.938 178.035 176.117 -0.033 0.000 1.097 435 I CA 1.832 63.052 61.300 -0.133 0.000 1.363 435 I CB -1.512 36.433 38.000 -0.093 0.000 1.051 435 I HN 0.387 nan 8.210 nan 0.000 0.413 436 L N 0.006 121.224 121.223 -0.008 0.000 2.551 436 L HA -0.085 4.239 4.340 -0.027 0.000 0.228 436 L C 1.989 178.870 176.870 0.017 0.000 1.153 436 L CA 0.794 55.645 54.840 0.017 0.000 0.851 436 L CB -0.451 41.611 42.059 0.005 0.000 0.959 436 L HN 0.272 nan 8.230 nan 0.000 0.451 437 K N 0.422 120.824 120.400 0.003 0.000 2.380 437 K HA 0.114 4.418 4.320 -0.027 0.000 0.198 437 K C 0.446 177.054 176.600 0.015 0.000 1.070 437 K CA -0.250 56.041 56.287 0.006 0.000 1.040 437 K CB 0.524 33.023 32.500 -0.003 0.000 0.903 437 K HN 0.300 nan 8.250 nan 0.000 0.549 438 R N 1.298 121.805 120.500 0.011 0.000 2.389 438 R HA 0.435 4.759 4.340 -0.027 0.000 0.295 438 R C -0.217 176.146 176.300 0.106 0.000 1.075 438 R CA -0.328 55.789 56.100 0.030 0.000 1.005 438 R CB 0.675 30.949 30.300 -0.045 0.000 0.987 438 R HN -0.171 nan 8.270 nan 0.000 0.452 439 A N 3.291 126.164 122.820 0.088 0.000 2.507 439 A HA 0.311 4.614 4.320 -0.027 0.000 0.235 439 A C -0.089 177.577 177.584 0.137 0.000 1.070 439 A CA -0.338 51.753 52.037 0.089 0.000 0.768 439 A CB 0.613 19.648 19.000 0.058 0.000 1.011 439 A HN 0.564 nan 8.150 nan 0.000 0.502 440 V N 0.919 120.886 119.914 0.089 0.000 2.656 440 V HA 0.577 4.681 4.120 -0.027 0.000 0.307 440 V C 0.428 176.524 176.094 0.003 0.000 1.051 440 V CA -0.196 62.132 62.300 0.047 0.000 0.893 440 V CB 1.822 33.640 31.823 -0.007 0.000 0.999 440 V HN 1.227 nan 8.190 nan 0.000 0.426 441 A N 3.370 126.180 122.820 -0.017 0.000 2.527 441 A HA 0.833 5.137 4.320 -0.027 0.000 0.313 441 A C 0.512 178.072 177.584 -0.041 0.000 1.410 441 A CA 0.578 52.603 52.037 -0.019 0.000 1.060 441 A CB -0.408 18.586 19.000 -0.010 0.000 1.137 441 A HN 1.601 nan 8.150 nan 0.000 0.542 442 G N 2.007 110.787 108.800 -0.034 0.000 2.321 442 G HA2 0.424 4.367 3.960 -0.027 0.000 0.298 442 G HA3 0.424 4.367 3.960 -0.027 0.000 0.298 442 G C -1.218 173.660 174.900 -0.036 0.000 1.385 442 G CA -0.240 44.835 45.100 -0.042 0.000 0.856 442 G HN 0.728 nan 8.290 nan 0.000 0.584 443 D N 0.050 120.425 120.400 -0.042 0.000 2.414 443 D HA 0.572 5.196 4.640 -0.027 0.000 0.251 443 D C 1.732 178.008 176.300 -0.040 0.000 1.252 443 D CA 0.352 54.328 54.000 -0.041 0.000 0.999 443 D CB 0.517 41.283 40.800 -0.056 0.000 1.093 443 D HN 0.857 nan 8.370 nan 0.000 0.515 444 A N 0.792 123.590 122.820 -0.036 0.000 1.836 444 A HA -0.242 4.061 4.320 -0.027 0.000 0.215 444 A C 2.279 179.845 177.584 -0.030 0.000 1.214 444 A CA 3.545 55.565 52.037 -0.028 0.000 0.636 444 A CB -1.601 17.385 19.000 -0.023 0.000 0.847 444 A HN 0.760 nan 8.150 nan 0.000 0.451 445 S N -0.100 115.577 115.700 -0.038 0.000 2.372 445 S HA -0.280 4.173 4.470 -0.027 0.000 0.227 445 S C 1.730 176.319 174.600 -0.019 0.000 1.044 445 S CA 1.821 60.006 58.200 -0.026 0.000 1.050 445 S CB -0.747 62.427 63.200 -0.044 0.000 0.901 445 S HN 0.650 nan 8.310 nan 0.000 0.447 446 E N 1.037 121.212 120.200 -0.042 0.000 2.150 446 E HA -0.039 4.295 4.350 -0.027 0.000 0.193 446 E C 2.282 178.850 176.600 -0.053 0.000 0.985 446 E CA 0.992 57.368 56.400 -0.040 0.000 0.814 446 E CB -0.175 29.491 29.700 -0.058 0.000 0.752 446 E HN 0.602 nan 8.360 nan 0.000 0.466 447 S N 0.953 116.621 115.700 -0.053 0.000 2.356 447 S HA -0.198 4.256 4.470 -0.027 0.000 0.223 447 S C 2.153 176.735 174.600 -0.029 0.000 1.032 447 S CA 1.021 59.186 58.200 -0.059 0.000 1.005 447 S CB -0.241 62.940 63.200 -0.031 0.000 0.867 447 S HN 0.386 nan 8.310 nan 0.000 0.449 448 A N 2.103 124.917 122.820 -0.009 0.000 1.873 448 A HA -0.128 4.176 4.320 -0.027 0.000 0.218 448 A C 2.148 179.740 177.584 0.014 0.000 1.193 448 A CA 1.588 53.629 52.037 0.007 0.000 0.629 448 A CB -1.042 17.961 19.000 0.005 0.000 0.826 448 A HN 0.450 nan 8.150 nan 0.000 0.447 449 L N -0.910 120.321 121.223 0.014 0.000 1.990 449 L HA -0.225 4.098 4.340 -0.027 0.000 0.213 449 L C 2.686 179.560 176.870 0.007 0.000 1.072 449 L CA 1.661 56.515 54.840 0.023 0.000 0.755 449 L CB -0.880 41.210 42.059 0.051 0.000 0.889 449 L HN 0.472 nan 8.230 nan 0.000 0.432 450 L N 0.209 121.406 121.223 -0.045 0.000 1.997 450 L HA -0.302 4.021 4.340 -0.027 0.000 0.216 450 L C 2.836 179.725 176.870 0.031 0.000 1.074 450 L CA 1.886 56.658 54.840 -0.113 0.000 0.763 450 L CB -0.240 41.618 42.059 -0.335 0.000 0.890 450 L HN 0.332 nan 8.230 nan 0.000 0.434 451 K N -1.275 119.182 120.400 0.095 0.000 2.097 451 K HA -0.205 4.099 4.320 -0.027 0.000 0.205 451 K C 2.155 178.848 176.600 0.155 0.000 1.050 451 K CA 1.491 57.919 56.287 0.236 0.000 0.938 451 K CB -0.456 32.152 32.500 0.180 0.000 0.718 451 K HN 0.443 nan 8.250 nan 0.000 0.442 452 C N 1.091 120.447 119.300 0.095 0.000 2.446 452 C HA -0.058 4.385 4.460 -0.027 0.000 0.277 452 C C 2.470 177.544 174.990 0.139 0.000 1.275 452 C CA 0.389 59.457 59.018 0.084 0.000 1.727 452 C CB -0.697 27.071 27.740 0.046 0.000 2.010 452 C HN 0.341 nan 8.230 nan 0.000 0.486 453 I N 0.778 121.425 120.570 0.128 0.000 2.286 453 I HA -0.070 4.084 4.170 -0.027 0.000 0.245 453 I C 2.442 178.639 176.117 0.133 0.000 1.104 453 I CA 1.472 62.852 61.300 0.132 0.000 1.397 453 I CB -1.734 36.286 38.000 0.032 0.000 1.072 453 I HN 0.388 nan 8.210 nan 0.000 0.417 454 E N 1.072 121.366 120.200 0.156 0.000 2.219 454 E HA -0.237 4.096 4.350 -0.027 0.000 0.198 454 E C 2.022 178.693 176.600 0.119 0.000 0.998 454 E CA 1.179 57.689 56.400 0.183 0.000 0.818 454 E CB -0.122 29.800 29.700 0.370 0.000 0.741 454 E HN 0.252 nan 8.360 nan 0.000 0.477 455 L N -0.263 121.031 121.223 0.119 0.000 2.013 455 L HA -0.029 4.294 4.340 -0.027 0.000 0.204 455 L C 1.889 178.816 176.870 0.094 0.000 1.081 455 L CA 1.682 56.573 54.840 0.084 0.000 0.751 455 L CB -0.491 41.613 42.059 0.075 0.000 0.901 455 L HN 0.515 nan 8.230 nan 0.000 0.440 456 C N -3.248 116.138 119.300 0.143 0.000 2.525 456 C HA 0.400 4.844 4.460 -0.027 0.000 0.313 456 C C 1.200 176.310 174.990 0.201 0.000 1.311 456 C CA -0.828 58.286 59.018 0.159 0.000 1.725 456 C CB -1.960 25.893 27.740 0.188 0.000 1.926 456 C HN 0.592 nan 8.230 nan 0.000 0.595 457 C N 0.912 120.309 119.300 0.161 0.000 3.855 457 C HA 0.609 5.053 4.460 -0.027 0.000 0.293 457 C C 1.425 176.455 174.990 0.067 0.000 2.137 457 C CA 0.555 59.649 59.018 0.127 0.000 1.620 457 C CB -1.048 26.767 27.740 0.125 0.000 3.244 457 C HN 1.196 nan 8.230 nan 0.000 0.501 458 G N 1.427 110.266 108.800 0.065 0.000 2.681 458 G HA2 -0.086 3.858 3.960 -0.027 0.000 0.220 458 G HA3 -0.086 3.858 3.960 -0.027 0.000 0.220 458 G C -0.142 174.791 174.900 0.055 0.000 1.353 458 G CA 0.037 45.164 45.100 0.046 0.000 0.872 458 G HN 0.830 nan 8.290 nan 0.000 0.557 459 S N -1.161 114.568 115.700 0.049 0.000 2.537 459 S HA 0.312 4.765 4.470 -0.027 0.000 0.286 459 S C 1.643 176.281 174.600 0.062 0.000 1.299 459 S CA 0.267 58.511 58.200 0.072 0.000 1.067 459 S CB 1.092 64.327 63.200 0.059 0.000 0.864 459 S HN 1.454 nan 8.310 nan 0.000 0.494 460 V N 6.476 126.442 119.914 0.088 0.000 2.788 460 V HA -0.035 4.068 4.120 -0.027 0.000 0.251 460 V C 2.258 178.360 176.094 0.013 0.000 1.068 460 V CA 1.308 63.623 62.300 0.025 0.000 1.090 460 V CB -0.515 31.316 31.823 0.014 0.000 0.710 460 V HN 0.822 nan 8.190 nan 0.000 0.467 461 K N 0.224 120.655 120.400 0.053 0.000 2.209 461 K HA -0.185 4.118 4.320 -0.027 0.000 0.204 461 K C 2.035 178.660 176.600 0.042 0.000 1.048 461 K CA 1.386 57.700 56.287 0.046 0.000 0.940 461 K CB -0.129 32.411 32.500 0.067 0.000 0.729 461 K HN 0.570 nan 8.250 nan 0.000 0.451 462 E N 0.323 120.548 120.200 0.041 0.000 2.153 462 E HA -0.168 4.165 4.350 -0.027 0.000 0.194 462 E C 1.885 178.521 176.600 0.059 0.000 0.988 462 E CA 1.047 57.474 56.400 0.046 0.000 0.811 462 E CB -0.021 29.703 29.700 0.040 0.000 0.746 462 E HN 0.329 nan 8.360 nan 0.000 0.466 463 M N -0.269 119.337 119.600 0.009 0.000 2.334 463 M HA -0.029 4.434 4.480 -0.027 0.000 0.266 463 M C 1.790 178.082 176.300 -0.014 0.000 1.082 463 M CA 0.976 56.242 55.300 -0.056 0.000 1.141 463 M CB 0.279 32.737 32.600 -0.237 0.000 1.380 463 M HN -0.157 nan 8.290 nan 0.000 0.440 464 R N -0.265 120.231 120.500 -0.006 0.000 2.313 464 R HA 0.002 4.325 4.340 -0.027 0.000 0.199 464 R C 1.425 177.780 176.300 0.091 0.000 0.958 464 R CA 0.635 56.753 56.100 0.031 0.000 1.047 464 R CB 0.024 30.334 30.300 0.018 0.000 0.955 464 R HN 0.436 nan 8.270 nan 0.000 0.481 465 E N -0.056 120.201 120.200 0.095 0.000 2.110 465 E HA 0.042 4.376 4.350 -0.027 0.000 0.193 465 E C 1.715 178.372 176.600 0.094 0.000 0.950 465 E CA 0.178 56.629 56.400 0.084 0.000 0.840 465 E CB 0.193 29.929 29.700 0.061 0.000 0.809 465 E HN 0.156 nan 8.360 nan 0.000 0.465 466 R N 0.293 120.870 120.500 0.128 0.000 2.105 466 R HA -0.106 4.218 4.340 -0.027 0.000 0.239 466 R C 0.273 176.568 176.300 -0.008 0.000 1.135 466 R CA 1.030 57.169 56.100 0.065 0.000 0.967 466 R CB -0.132 30.236 30.300 0.115 0.000 0.861 466 R HN 0.160 nan 8.270 nan 0.000 0.442 467 Y N 0.369 120.658 120.300 -0.019 0.000 2.944 467 Y HA 0.179 4.713 4.550 -0.027 0.000 0.335 467 Y C 0.127 176.078 175.900 0.086 0.000 1.075 467 Y CA -0.955 57.143 58.100 -0.004 0.000 1.240 467 Y CB 0.898 39.300 38.460 -0.098 0.000 1.167 467 Y HN -0.195 nan 8.280 nan 0.000 0.555 468 T N 3.066 117.734 114.554 0.190 0.000 2.888 468 T HA 0.052 4.386 4.350 -0.027 0.000 0.301 468 T C 0.075 174.895 174.700 0.199 0.000 1.001 468 T CA -0.458 61.745 62.100 0.171 0.000 1.147 468 T CB 0.159 69.079 68.868 0.086 0.000 0.931 468 T HN 0.547 nan 8.240 nan 0.000 0.541 469 K N 5.266 125.767 120.400 0.170 0.000 2.339 469 K HA 0.244 4.547 4.320 -0.027 0.000 0.286 469 K C 1.344 177.872 176.600 -0.121 0.000 1.050 469 K CA -0.414 55.797 56.287 -0.127 0.000 0.956 469 K CB 0.352 32.797 32.500 -0.092 0.000 0.990 469 K HN 0.763 nan 8.250 nan 0.000 0.475 470 I N 1.106 121.557 120.570 -0.199 0.000 2.947 470 I HA 0.134 4.288 4.170 -0.027 0.000 0.263 470 I C -0.344 175.705 176.117 -0.114 0.000 1.130 470 I CA -0.203 61.037 61.300 -0.100 0.000 1.448 470 I CB 0.591 38.572 38.000 -0.033 0.000 1.222 470 I HN 0.128 nan 8.210 nan 0.000 0.453 471 V N 1.860 121.636 119.914 -0.229 0.000 2.932 471 V HA 0.510 4.614 4.120 -0.027 0.000 0.307 471 V C -1.173 174.785 176.094 -0.227 0.000 1.147 471 V CA -0.517 61.682 62.300 -0.169 0.000 0.951 471 V CB 1.813 33.574 31.823 -0.102 0.000 1.031 471 V HN 0.595 nan 8.190 nan 0.000 0.426 472 E N 3.478 123.618 120.200 -0.101 0.000 2.390 472 E HA 0.684 5.018 4.350 -0.027 0.000 0.277 472 E C -1.678 174.939 176.600 0.029 0.000 0.939 472 E CA -0.966 55.397 56.400 -0.060 0.000 0.769 472 E CB 2.657 32.320 29.700 -0.062 0.000 1.251 472 E HN 0.561 nan 8.360 nan 0.000 0.450 473 I N 2.948 123.561 120.570 0.072 0.000 2.313 473 I HA 0.274 4.428 4.170 -0.027 0.000 0.286 473 I C -2.088 174.050 176.117 0.035 0.000 1.091 473 I CA -2.290 59.051 61.300 0.069 0.000 1.216 473 I CB 0.563 38.627 38.000 0.107 0.000 1.434 473 I HN 0.324 nan 8.210 nan 0.000 0.487 474 P HA -0.174 nan 4.420 nan 0.000 0.266 474 P C -0.149 177.174 177.300 0.039 0.000 1.186 474 P CA 0.048 63.178 63.100 0.050 0.000 0.767 474 P CB 0.386 32.109 31.700 0.039 0.000 0.820 475 F N 2.980 122.896 119.950 -0.057 0.000 2.539 475 F HA -0.067 4.443 4.527 -0.028 0.000 0.393 475 F C 0.645 176.380 175.800 -0.109 0.000 1.032 475 F CA 0.515 58.462 58.000 -0.088 0.000 1.120 475 F CB -0.477 38.491 39.000 -0.052 0.000 1.014 475 F HN 0.179 nan 8.300 nan 0.000 0.546 476 N N 3.325 121.658 118.700 -0.612 0.000 2.518 476 N HA 0.082 4.805 4.740 -0.027 0.000 0.283 476 N C 0.958 176.129 175.510 -0.565 0.000 1.119 476 N CA 0.064 52.833 53.050 -0.468 0.000 0.983 476 N CB 1.769 40.003 38.487 -0.422 0.000 1.139 476 N HN 0.621 nan 8.380 nan 0.000 0.465 477 S N 0.760 116.306 115.700 -0.257 0.000 2.382 477 S HA -0.155 4.298 4.470 -0.027 0.000 0.228 477 S C 1.454 175.941 174.600 -0.188 0.000 1.027 477 S CA 2.239 60.345 58.200 -0.157 0.000 0.991 477 S CB -0.251 62.917 63.200 -0.054 0.000 0.823 477 S HN 0.772 nan 8.310 nan 0.000 0.469 478 T N -0.083 114.351 114.554 -0.200 0.000 2.852 478 T HA 0.089 4.422 4.350 -0.027 0.000 0.256 478 T C 1.656 176.221 174.700 -0.224 0.000 1.038 478 T CA 1.237 63.238 62.100 -0.165 0.000 1.141 478 T CB -0.937 67.856 68.868 -0.125 0.000 0.869 478 T HN 0.458 nan 8.240 nan 0.000 0.439 479 N N 1.201 119.679 118.700 -0.370 0.000 2.094 479 N HA -0.076 4.648 4.740 -0.027 0.000 0.191 479 N C 0.792 176.058 175.510 -0.408 0.000 1.023 479 N CA 1.181 53.922 53.050 -0.514 0.000 0.857 479 N CB -0.253 37.613 38.487 -1.034 0.000 1.013 479 N HN 0.282 nan 8.380 nan 0.000 0.426 480 K N -2.428 117.623 120.400 -0.582 0.000 3.407 480 K HA -0.206 4.098 4.320 -0.027 0.000 0.312 480 K C -1.404 175.042 176.600 -0.255 0.000 1.302 480 K CA 1.249 57.289 56.287 -0.413 0.000 0.931 480 K CB -1.713 30.764 32.500 -0.039 0.000 1.257 480 K HN 0.615 nan 8.250 nan 0.000 0.454 481 Y N -1.968 118.038 120.300 -0.490 0.000 2.625 481 Y HA 0.678 5.212 4.550 -0.027 0.000 0.338 481 Y C -0.948 174.935 175.900 -0.028 0.000 1.123 481 Y CA -1.206 56.847 58.100 -0.077 0.000 1.046 481 Y CB 1.418 39.855 38.460 -0.038 0.000 1.299 481 Y HN -0.011 nan 8.280 nan 0.000 0.464 482 Q N 2.989 123.039 119.800 0.416 0.000 2.304 482 Q HA 0.676 4.999 4.340 -0.027 0.000 0.270 482 Q C -2.087 174.069 176.000 0.260 0.000 1.035 482 Q CA -1.015 54.960 55.803 0.287 0.000 0.781 482 Q CB 2.172 31.085 28.738 0.291 0.000 1.261 482 Q HN 0.880 nan 8.270 nan 0.000 0.444 483 L N 0.319 121.685 121.223 0.238 0.000 2.283 483 L HA 0.914 5.238 4.340 -0.027 0.000 0.259 483 L C -0.883 176.031 176.870 0.073 0.000 1.027 483 L CA -0.480 54.457 54.840 0.162 0.000 0.828 483 L CB 2.313 44.498 42.059 0.211 0.000 1.380 483 L HN 0.493 nan 8.230 nan 0.000 0.425 484 S N 0.096 115.802 115.700 0.010 0.000 2.607 484 S HA 0.788 5.242 4.470 -0.027 0.000 0.273 484 S C -1.049 173.389 174.600 -0.269 0.000 1.148 484 S CA -0.490 57.635 58.200 -0.125 0.000 0.833 484 S CB 1.656 64.867 63.200 0.018 0.000 1.130 484 S HN 0.594 nan 8.310 nan 0.000 0.470 485 I N 2.694 122.943 120.570 -0.536 0.000 2.476 485 I HA 0.396 4.550 4.170 -0.027 0.000 0.281 485 I C -0.884 174.912 176.117 -0.534 0.000 1.040 485 I CA -0.467 60.492 61.300 -0.569 0.000 1.094 485 I CB 1.128 38.561 38.000 -0.944 0.000 1.219 485 I HN 0.495 nan 8.210 nan 0.000 0.450 486 H N 4.915 123.914 119.070 -0.119 0.000 2.569 486 H HA 0.406 4.945 4.556 -0.028 0.000 0.357 486 H C -0.602 174.728 175.328 0.002 0.000 1.153 486 H CA -0.970 55.066 56.048 -0.020 0.000 1.193 486 H CB 2.538 32.335 29.762 0.057 0.000 1.602 486 H HN 0.355 nan 8.280 nan 0.000 0.523 487 K N 2.577 123.052 120.400 0.125 0.000 2.315 487 K HA 0.022 4.326 4.320 -0.027 0.000 0.291 487 K C 0.205 176.774 176.600 -0.051 0.000 1.074 487 K CA -0.386 55.918 56.287 0.030 0.000 0.936 487 K CB 0.344 32.855 32.500 0.019 0.000 1.049 487 K HN 0.346 nan 8.250 nan 0.000 0.471 488 N N 4.208 122.848 118.700 -0.099 0.000 2.357 488 N HA -0.060 4.664 4.740 -0.027 0.000 0.257 488 N C -1.503 173.821 175.510 -0.311 0.000 1.250 488 N CA -1.181 51.743 53.050 -0.211 0.000 0.862 488 N CB 0.825 39.221 38.487 -0.152 0.000 1.066 488 N HN 0.379 nan 8.380 nan 0.000 0.468 489 P HA 0.004 nan 4.420 nan 0.000 0.234 489 P C -0.469 176.671 177.300 -0.267 0.000 1.175 489 P CA 0.256 63.095 63.100 -0.434 0.000 0.801 489 P CB 0.308 31.593 31.700 -0.691 0.000 0.891 490 N N 0.772 119.327 118.700 -0.242 0.000 2.411 490 N HA -0.045 4.679 4.740 -0.027 0.000 0.265 490 N C 1.234 176.670 175.510 -0.123 0.000 1.266 490 N CA 0.614 53.573 53.050 -0.152 0.000 0.889 490 N CB 0.048 38.456 38.487 -0.131 0.000 1.069 490 N HN -0.032 nan 8.380 nan 0.000 0.476 491 T N 0.761 115.257 114.554 -0.096 0.000 3.163 491 T HA 0.087 4.421 4.350 -0.027 0.000 0.260 491 T C 1.302 175.961 174.700 -0.069 0.000 1.156 491 T CA 1.049 63.102 62.100 -0.077 0.000 1.072 491 T CB 0.134 68.966 68.868 -0.060 0.000 0.937 491 T HN 0.585 nan 8.240 nan 0.000 0.528 492 A N 0.992 123.767 122.820 -0.075 0.000 1.944 492 A HA 0.327 4.630 4.320 -0.027 0.000 0.209 492 A C 1.181 178.720 177.584 -0.075 0.000 1.328 492 A CA 0.034 52.030 52.037 -0.067 0.000 0.693 492 A CB 0.278 19.240 19.000 -0.065 0.000 0.994 492 A HN 0.563 nan 8.150 nan 0.000 0.485 493 E N 0.843 120.987 120.200 -0.093 0.000 3.269 493 E HA 0.176 4.509 4.350 -0.027 0.000 0.221 493 E C -2.474 174.056 176.600 -0.115 0.000 1.113 493 E CA -1.617 54.722 56.400 -0.101 0.000 1.385 493 E CB 0.557 30.184 29.700 -0.122 0.000 1.345 493 E HN 0.371 nan 8.360 nan 0.000 0.435 494 P HA -0.013 nan 4.420 nan 0.000 0.225 494 P C -0.371 176.827 177.300 -0.171 0.000 1.768 494 P CA 0.101 63.115 63.100 -0.144 0.000 0.943 494 P CB -0.153 31.468 31.700 -0.132 0.000 1.936 495 R N 1.108 121.511 120.500 -0.161 0.000 2.598 495 R HA 0.229 4.552 4.340 -0.027 0.000 0.279 495 R C -0.172 176.012 176.300 -0.194 0.000 0.984 495 R CA -0.804 55.161 56.100 -0.224 0.000 0.999 495 R CB 0.607 30.846 30.300 -0.102 0.000 1.114 495 R HN 0.262 nan 8.270 nan 0.000 0.493 496 H N 1.784 120.849 119.070 -0.008 0.000 3.173 496 H HA -0.056 4.483 4.556 -0.027 0.000 0.311 496 H C -0.338 174.931 175.328 -0.099 0.000 0.972 496 H CA 0.292 56.306 56.048 -0.057 0.000 1.384 496 H CB 0.149 29.878 29.762 -0.054 0.000 1.349 496 H HN 0.178 nan 8.280 nan 0.000 0.582 497 L N 3.845 125.079 121.223 0.019 0.000 2.346 497 L HA 0.396 4.720 4.340 -0.027 0.000 0.276 497 L C -1.284 175.559 176.870 -0.044 0.000 1.006 497 L CA -0.884 53.955 54.840 -0.001 0.000 0.817 497 L CB 1.531 43.619 42.059 0.049 0.000 1.272 497 L HN 0.565 nan 8.230 nan 0.000 0.421 498 L N 6.290 127.472 121.223 -0.068 0.000 2.307 498 L HA 0.795 5.119 4.340 -0.027 0.000 0.284 498 L C -1.039 175.844 176.870 0.023 0.000 1.023 498 L CA -0.448 54.346 54.840 -0.076 0.000 0.810 498 L CB 1.755 43.750 42.059 -0.107 0.000 1.231 498 L HN 0.451 nan 8.230 nan 0.000 0.423 499 V N 3.801 123.746 119.914 0.052 0.000 2.686 499 V HA 0.791 4.894 4.120 -0.027 0.000 0.306 499 V C -0.588 175.534 176.094 0.047 0.000 1.065 499 V CA -0.677 61.672 62.300 0.082 0.000 0.894 499 V CB 1.484 33.376 31.823 0.114 0.000 1.004 499 V HN 1.013 nan 8.190 nan 0.000 0.424 500 M N 3.941 123.540 119.600 -0.002 0.000 2.550 500 M HA 0.880 5.344 4.480 -0.027 0.000 0.292 500 M C -1.357 174.852 176.300 -0.152 0.000 1.221 500 M CA -0.622 54.663 55.300 -0.025 0.000 0.873 500 M CB 2.814 35.386 32.600 -0.045 0.000 1.727 500 M HN 0.880 nan 8.290 nan 0.000 0.459 501 K N 1.570 121.874 120.400 -0.161 0.000 2.498 501 K HA 0.990 5.294 4.320 -0.027 0.000 0.254 501 K C -1.021 175.526 176.600 -0.088 0.000 0.933 501 K CA -0.559 55.482 56.287 -0.410 0.000 0.806 501 K CB 2.419 34.378 32.500 -0.902 0.000 1.301 501 K HN 1.108 nan 8.250 nan 0.000 0.432 502 G N 0.536 109.294 108.800 -0.070 0.000 2.341 502 G HA2 0.491 4.435 3.960 -0.027 0.000 0.299 502 G HA3 0.491 4.435 3.960 -0.027 0.000 0.299 502 G C -1.350 173.619 174.900 0.116 0.000 1.274 502 G CA -0.606 44.594 45.100 0.167 0.000 0.853 502 G HN 0.801 nan 8.290 nan 0.000 0.493 503 A N 0.350 123.272 122.820 0.171 0.000 2.603 503 A HA 0.455 4.758 4.320 -0.027 0.000 0.235 503 A C -0.805 176.810 177.584 0.052 0.000 1.035 503 A CA 0.674 52.772 52.037 0.102 0.000 0.755 503 A CB -0.091 18.974 19.000 0.108 0.000 0.954 503 A HN 0.343 nan 8.150 nan 0.000 0.511 504 P HA -0.144 nan 4.420 nan 0.000 0.219 504 P C 1.053 178.397 177.300 0.075 0.000 1.146 504 P CA 1.263 64.351 63.100 -0.021 0.000 0.808 504 P CB 0.254 31.575 31.700 -0.631 0.000 0.779 505 E N -0.905 119.265 120.200 -0.049 0.000 2.086 505 E HA -0.029 4.305 4.350 -0.027 0.000 0.190 505 E C 2.072 178.685 176.600 0.021 0.000 0.975 505 E CA 0.709 57.118 56.400 0.014 0.000 0.813 505 E CB -0.356 29.348 29.700 0.008 0.000 0.768 505 E HN 0.179 nan 8.360 nan 0.000 0.457 506 R N 0.660 121.183 120.500 0.039 0.000 2.115 506 R HA -0.019 4.304 4.340 -0.027 0.000 0.230 506 R C 2.201 178.507 176.300 0.010 0.000 1.111 506 R CA 0.512 56.638 56.100 0.043 0.000 0.976 506 R CB -0.414 29.945 30.300 0.099 0.000 0.870 506 R HN 0.189 nan 8.270 nan 0.000 0.445 507 I N 0.687 121.283 120.570 0.044 0.000 2.286 507 I HA -0.181 3.973 4.170 -0.027 0.000 0.245 507 I C 2.266 178.423 176.117 0.066 0.000 1.104 507 I CA 0.740 62.075 61.300 0.058 0.000 1.397 507 I CB -0.997 37.098 38.000 0.159 0.000 1.072 507 I HN 0.091 nan 8.210 nan 0.000 0.417 508 L N 0.623 121.838 121.223 -0.013 0.000 2.291 508 L HA -0.181 4.143 4.340 -0.027 0.000 0.214 508 L C 1.710 178.476 176.870 -0.173 0.000 1.120 508 L CA 1.683 56.368 54.840 -0.259 0.000 0.799 508 L CB -0.843 40.805 42.059 -0.686 0.000 0.925 508 L HN 0.218 nan 8.230 nan 0.000 0.446 509 D N 0.110 120.453 120.400 -0.095 0.000 2.312 509 D HA -0.108 4.516 4.640 -0.027 0.000 0.211 509 D C 1.090 177.350 176.300 -0.067 0.000 0.964 509 D CA 0.698 54.656 54.000 -0.070 0.000 0.877 509 D CB 0.231 41.009 40.800 -0.037 0.000 0.924 509 D HN 0.222 nan 8.370 nan 0.000 0.515 510 R N -0.663 119.793 120.500 -0.073 0.000 2.816 510 R HA 0.360 4.684 4.340 -0.027 0.000 0.382 510 R C -0.997 175.269 176.300 -0.057 0.000 1.140 510 R CA -0.301 55.752 56.100 -0.078 0.000 1.050 510 R CB 0.464 30.685 30.300 -0.132 0.000 1.396 510 R HN 0.045 nan 8.270 nan 0.000 0.583 511 C N -0.260 119.009 119.300 -0.053 0.000 2.547 511 C HA 0.337 4.781 4.460 -0.027 0.000 0.313 511 C C 1.418 176.381 174.990 -0.045 0.000 1.191 511 C CA -0.477 58.523 59.018 -0.030 0.000 1.474 511 C CB 2.077 29.822 27.740 0.008 0.000 2.081 511 C HN 0.645 nan 8.230 nan 0.000 0.476 512 S N 0.853 116.537 115.700 -0.026 0.000 2.613 512 S HA 0.199 4.653 4.470 -0.027 0.000 0.235 512 S C 0.471 175.067 174.600 -0.008 0.000 1.073 512 S CA 0.268 58.455 58.200 -0.023 0.000 0.899 512 S CB -0.052 63.137 63.200 -0.019 0.000 0.818 512 S HN 0.877 nan 8.310 nan 0.000 0.484 513 S N 0.602 116.306 115.700 0.008 0.000 2.745 513 S HA 0.826 5.279 4.470 -0.027 0.000 0.306 513 S C -0.945 173.697 174.600 0.070 0.000 1.137 513 S CA -0.965 57.255 58.200 0.033 0.000 0.900 513 S CB 1.193 64.416 63.200 0.039 0.000 1.176 513 S HN 0.344 nan 8.310 nan 0.000 0.520 514 I N 1.053 121.676 120.570 0.088 0.000 2.586 514 I HA 0.230 4.384 4.170 -0.027 0.000 0.281 514 I C -1.014 175.163 176.117 0.100 0.000 1.145 514 I CA -0.470 60.910 61.300 0.133 0.000 1.073 514 I CB 1.610 39.685 38.000 0.126 0.000 1.238 514 I HN 0.596 nan 8.210 nan 0.000 0.461 515 L N 7.551 128.822 121.223 0.080 0.000 2.742 515 L HA 0.157 4.481 4.340 -0.027 0.000 0.275 515 L C -0.102 176.784 176.870 0.026 0.000 1.141 515 L CA 0.337 55.218 54.840 0.069 0.000 0.987 515 L CB -0.033 42.051 42.059 0.043 0.000 1.319 515 L HN 0.552 nan 8.230 nan 0.000 0.478 516 I N 1.141 121.736 120.570 0.043 0.000 2.382 516 I HA 0.387 4.540 4.170 -0.027 0.000 0.285 516 I C 0.173 176.339 176.117 0.081 0.000 1.007 516 I CA -0.500 60.794 61.300 -0.009 0.000 1.142 516 I CB 1.166 39.194 38.000 0.046 0.000 1.289 516 I HN 0.700 nan 8.210 nan 0.000 0.453 517 H N 4.089 123.171 119.070 0.019 0.000 3.080 517 H HA -0.145 4.395 4.556 -0.027 0.000 0.254 517 H C 1.186 176.531 175.328 0.028 0.000 1.179 517 H CA 1.495 57.556 56.048 0.022 0.000 1.144 517 H CB -1.440 28.332 29.762 0.017 0.000 1.261 517 H HN 1.316 nan 8.280 nan 0.000 0.333 518 G N -0.853 108.012 108.800 0.108 0.000 2.792 518 G HA2 -0.256 3.688 3.960 -0.027 0.000 0.201 518 G HA3 -0.256 3.688 3.960 -0.027 0.000 0.201 518 G C 0.079 175.038 174.900 0.098 0.000 1.322 518 G CA -0.124 45.030 45.100 0.090 0.000 0.910 518 G HN 0.350 nan 8.290 nan 0.000 0.535 519 K N 1.953 122.414 120.400 0.101 0.000 2.218 519 K HA 0.492 4.796 4.320 -0.027 0.000 0.276 519 K C 0.366 177.039 176.600 0.122 0.000 1.022 519 K CA -0.339 56.008 56.287 0.100 0.000 0.946 519 K CB 1.419 33.965 32.500 0.078 0.000 1.000 519 K HN 0.499 nan 8.250 nan 0.000 0.468 520 E N 1.640 121.929 120.200 0.148 0.000 2.435 520 E HA 0.020 4.354 4.350 -0.027 0.000 0.254 520 E C -0.246 176.417 176.600 0.106 0.000 1.289 520 E CA 0.226 56.714 56.400 0.147 0.000 0.983 520 E CB 0.564 30.376 29.700 0.187 0.000 1.010 520 E HN 0.371 nan 8.360 nan 0.000 0.509 521 Q N -0.552 119.302 119.800 0.090 0.000 2.736 521 Q HA 0.204 4.527 4.340 -0.027 0.000 0.273 521 Q C -2.738 173.295 176.000 0.055 0.000 0.948 521 Q CA -1.556 54.289 55.803 0.070 0.000 0.854 521 Q CB 2.070 30.851 28.738 0.072 0.000 1.569 521 Q HN 0.256 nan 8.270 nan 0.000 0.405 522 P HA 0.030 nan 4.420 nan 0.000 0.267 522 P C -0.523 176.788 177.300 0.019 0.000 1.200 522 P CA 0.093 63.209 63.100 0.027 0.000 0.772 522 P CB 0.422 32.136 31.700 0.024 0.000 0.855 523 L N 3.477 124.699 121.223 -0.003 0.000 2.437 523 L HA 0.065 4.388 4.340 -0.027 0.000 0.243 523 L C 0.165 177.019 176.870 -0.026 0.000 1.346 523 L CA -0.238 54.583 54.840 -0.031 0.000 1.233 523 L CB -0.803 41.212 42.059 -0.072 0.000 1.436 523 L HN 0.330 nan 8.230 nan 0.000 0.416 524 D N 1.309 121.709 120.400 0.000 0.000 2.406 524 D HA -0.168 4.455 4.640 -0.027 0.000 0.234 524 D C 0.831 177.130 176.300 -0.001 0.000 1.196 524 D CA 0.351 54.355 54.000 0.007 0.000 0.881 524 D CB 0.859 41.674 40.800 0.026 0.000 1.205 524 D HN 0.444 nan 8.370 nan 0.000 0.453 525 E N 0.182 120.383 120.200 0.002 0.000 2.511 525 E HA -0.098 4.235 4.350 -0.027 0.000 0.196 525 E C 0.798 177.410 176.600 0.020 0.000 1.066 525 E CA 0.290 56.691 56.400 0.001 0.000 0.871 525 E CB 0.286 29.986 29.700 0.000 0.000 0.863 525 E HN 0.389 nan 8.360 nan 0.000 0.520 526 E N -0.089 120.130 120.200 0.032 0.000 2.060 526 E HA -0.078 4.255 4.350 -0.027 0.000 0.189 526 E C 1.903 178.551 176.600 0.080 0.000 0.974 526 E CA 0.637 57.067 56.400 0.051 0.000 0.808 526 E CB 0.159 29.891 29.700 0.053 0.000 0.768 526 E HN 0.292 nan 8.360 nan 0.000 0.453 527 L N 0.785 122.060 121.223 0.088 0.000 2.418 527 L HA 0.033 4.356 4.340 -0.027 0.000 0.218 527 L C 2.186 179.121 176.870 0.107 0.000 1.125 527 L CA 0.472 55.403 54.840 0.151 0.000 0.835 527 L CB -0.066 42.083 42.059 0.149 0.000 0.953 527 L HN -0.042 nan 8.230 nan 0.000 0.454 528 K N -0.092 120.318 120.400 0.017 0.000 2.591 528 K HA -0.110 4.193 4.320 -0.027 0.000 0.197 528 K C 0.622 177.257 176.600 0.059 0.000 1.026 528 K CA 0.421 56.682 56.287 -0.043 0.000 1.127 528 K CB 0.182 32.635 32.500 -0.077 0.000 0.871 528 K HN 0.146 nan 8.250 nan 0.000 0.507 529 D N -1.474 118.977 120.400 0.086 0.000 2.409 529 D HA 0.165 4.788 4.640 -0.027 0.000 0.301 529 D C 1.167 177.493 176.300 0.042 0.000 1.095 529 D CA 0.385 54.425 54.000 0.067 0.000 0.929 529 D CB 0.259 41.086 40.800 0.045 0.000 1.623 529 D HN 0.101 nan 8.370 nan 0.000 0.506 530 A N -0.055 122.821 122.820 0.093 0.000 2.209 530 A HA 0.019 4.323 4.320 -0.027 0.000 0.212 530 A C 1.685 179.171 177.584 -0.163 0.000 1.158 530 A CA 0.610 52.709 52.037 0.103 0.000 0.742 530 A CB -0.819 18.362 19.000 0.302 0.000 0.790 530 A HN 0.365 nan 8.150 nan 0.000 0.472 531 F N -0.771 118.891 119.950 -0.480 0.000 2.446 531 F HA 0.129 4.639 4.527 -0.027 0.000 0.292 531 F C 1.814 177.289 175.800 -0.542 0.000 1.096 531 F CA 0.952 58.325 58.000 -1.046 0.000 1.438 531 F CB 0.054 38.626 39.000 -0.714 0.000 1.107 531 F HN 0.115 nan 8.300 nan 0.000 0.546 532 Q N 0.908 120.564 119.800 -0.239 0.000 2.435 532 Q HA -0.031 4.293 4.340 -0.027 0.000 0.207 532 Q C 1.246 177.096 176.000 -0.251 0.000 0.956 532 Q CA 0.540 56.204 55.803 -0.232 0.000 0.917 532 Q CB -0.332 28.428 28.738 0.037 0.000 0.997 532 Q HN 0.481 nan 8.270 nan 0.000 0.497 533 N N 0.377 118.915 118.700 -0.269 0.000 2.220 533 N HA -0.032 4.691 4.740 -0.027 0.000 0.182 533 N C 1.580 176.906 175.510 -0.307 0.000 1.023 533 N CA 1.324 54.239 53.050 -0.225 0.000 0.856 533 N CB -0.307 38.098 38.487 -0.138 0.000 0.997 533 N HN 0.169 nan 8.380 nan 0.000 0.429 534 A N 0.419 122.950 122.820 -0.482 0.000 1.877 534 A HA -0.175 4.129 4.320 -0.027 0.000 0.216 534 A C 2.108 179.466 177.584 -0.378 0.000 1.186 534 A CA 1.161 52.910 52.037 -0.480 0.000 0.620 534 A CB -1.100 17.353 19.000 -0.912 0.000 0.822 534 A HN 0.418 nan 8.150 nan 0.000 0.443 535 Y N 0.293 120.212 120.300 -0.633 0.000 2.403 535 Y HA -0.040 4.493 4.550 -0.028 0.000 0.291 535 Y C 1.611 177.326 175.900 -0.309 0.000 1.143 535 Y CA 1.310 59.109 58.100 -0.501 0.000 1.257 535 Y CB -0.136 37.859 38.460 -0.776 0.000 0.984 535 Y HN 0.208 nan 8.280 nan 0.000 0.550 536 L N -0.377 120.540 121.223 -0.510 0.000 2.513 536 L HA 0.025 4.349 4.340 -0.027 0.000 0.222 536 L C 2.303 178.981 176.870 -0.320 0.000 1.096 536 L CA 0.756 55.310 54.840 -0.476 0.000 0.857 536 L CB -0.217 41.653 42.059 -0.316 0.000 1.026 536 L HN 0.232 nan 8.230 nan 0.000 0.469 537 E N 1.007 121.046 120.200 -0.267 0.000 2.042 537 E HA -0.135 4.199 4.350 -0.027 0.000 0.189 537 E C 2.303 178.792 176.600 -0.186 0.000 0.974 537 E CA 0.665 56.945 56.400 -0.199 0.000 0.806 537 E CB 0.143 29.738 29.700 -0.175 0.000 0.769 537 E HN 0.400 nan 8.360 nan 0.000 0.451 538 L N 0.455 121.568 121.223 -0.184 0.000 2.131 538 L HA -0.063 4.260 4.340 -0.027 0.000 0.210 538 L C 2.613 179.417 176.870 -0.110 0.000 1.092 538 L CA 1.120 55.887 54.840 -0.121 0.000 0.759 538 L CB -0.557 41.476 42.059 -0.043 0.000 0.903 538 L HN 0.307 nan 8.230 nan 0.000 0.435 539 G N -0.226 108.453 108.800 -0.202 0.000 2.408 539 G HA2 -0.167 3.776 3.960 -0.027 0.000 0.217 539 G HA3 -0.167 3.776 3.960 -0.027 0.000 0.217 539 G C 1.585 176.389 174.900 -0.159 0.000 1.150 539 G CA 0.644 45.615 45.100 -0.215 0.000 0.776 539 G HN 0.475 nan 8.290 nan 0.000 0.542 540 G N 0.401 109.100 108.800 -0.168 0.000 2.470 540 G HA2 -0.021 3.923 3.960 -0.027 0.000 0.220 540 G HA3 -0.021 3.923 3.960 -0.027 0.000 0.220 540 G C 1.162 176.013 174.900 -0.082 0.000 1.121 540 G CA 0.197 45.224 45.100 -0.122 0.000 0.766 540 G HN 0.334 nan 8.290 nan 0.000 0.553 541 L N 1.342 122.521 121.223 -0.074 0.000 2.715 541 L HA 0.345 4.669 4.340 -0.027 0.000 0.238 541 L C 1.778 178.637 176.870 -0.018 0.000 1.212 541 L CA 0.059 54.876 54.840 -0.039 0.000 1.017 541 L CB -0.397 41.647 42.059 -0.026 0.000 1.269 541 L HN 0.253 nan 8.230 nan 0.000 0.452 542 G N -0.037 108.745 108.800 -0.029 0.000 2.356 542 G HA2 -0.297 3.646 3.960 -0.027 0.000 0.296 542 G HA3 -0.297 3.646 3.960 -0.027 0.000 0.296 542 G C 0.229 175.129 174.900 0.001 0.000 1.022 542 G CA 0.297 45.388 45.100 -0.014 0.000 0.961 542 G HN 0.489 nan 8.290 nan 0.000 0.510 543 E N -0.562 119.640 120.200 0.003 0.000 2.212 543 E HA 0.469 4.802 4.350 -0.027 0.000 0.268 543 E C 0.448 177.070 176.600 0.036 0.000 0.902 543 E CA -1.055 55.363 56.400 0.029 0.000 0.779 543 E CB 1.609 31.345 29.700 0.061 0.000 1.172 543 E HN 0.231 nan 8.360 nan 0.000 0.409 544 R N 1.248 121.777 120.500 0.049 0.000 2.438 544 R HA 0.263 4.587 4.340 -0.027 0.000 0.287 544 R C -0.619 175.746 176.300 0.108 0.000 1.077 544 R CA -0.184 55.957 56.100 0.068 0.000 1.034 544 R CB 0.782 31.113 30.300 0.051 0.000 0.993 544 R HN 0.257 nan 8.270 nan 0.000 0.459 545 V N 5.268 125.276 119.914 0.156 0.000 2.555 545 V HA 0.471 4.574 4.120 -0.027 0.000 0.302 545 V C -0.012 176.207 176.094 0.208 0.000 1.038 545 V CA -0.811 61.618 62.300 0.215 0.000 0.887 545 V CB 1.926 33.950 31.823 0.335 0.000 0.991 545 V HN 0.561 nan 8.190 nan 0.000 0.434 546 L N 3.160 124.535 121.223 0.254 0.000 2.386 546 L HA 0.775 5.098 4.340 -0.027 0.000 0.271 546 L C 0.482 177.571 176.870 0.365 0.000 0.993 546 L CA -0.475 54.519 54.840 0.255 0.000 0.819 546 L CB 2.222 44.463 42.059 0.303 0.000 1.294 546 L HN 0.814 nan 8.230 nan 0.000 0.414 547 G N 1.625 110.547 108.800 0.203 0.000 2.367 547 G HA2 0.668 4.612 3.960 -0.027 0.000 0.314 547 G HA3 0.668 4.612 3.960 -0.027 0.000 0.314 547 G C -1.365 173.512 174.900 -0.039 0.000 1.130 547 G CA -0.168 45.089 45.100 0.261 0.000 0.864 547 G HN 0.249 nan 8.290 nan 0.000 0.486 548 F N 0.345 120.122 119.950 -0.289 0.000 2.551 548 F HA 0.651 5.162 4.527 -0.027 0.000 0.316 548 F C 0.516 175.988 175.800 -0.546 0.000 1.089 548 F CA -0.930 56.882 58.000 -0.314 0.000 0.915 548 F CB 2.235 41.104 39.000 -0.218 0.000 1.186 548 F HN 0.758 nan 8.300 nan 0.000 0.456 549 C N 0.993 120.177 119.300 -0.193 0.000 3.239 549 C HA 0.815 5.259 4.460 -0.027 0.000 0.329 549 C C -1.054 173.890 174.990 -0.077 0.000 1.252 549 C CA -0.782 58.106 59.018 -0.217 0.000 1.323 549 C CB 1.477 29.129 27.740 -0.146 0.000 1.663 549 C HN 1.097 nan 8.230 nan 0.000 0.487 550 H N 0.492 119.522 119.070 -0.066 0.000 2.941 550 H HA 0.915 5.455 4.556 -0.027 0.000 0.344 550 H C -2.050 173.190 175.328 -0.147 0.000 1.235 550 H CA -1.153 54.856 56.048 -0.065 0.000 1.149 550 H CB 1.962 31.719 29.762 -0.008 0.000 1.885 550 H HN 0.846 nan 8.280 nan 0.000 0.558 551 L N 1.469 122.709 121.223 0.029 0.000 2.482 551 L HA 0.341 4.664 4.340 -0.027 0.000 0.263 551 L C -1.682 175.018 176.870 -0.283 0.000 0.957 551 L CA -0.823 53.858 54.840 -0.265 0.000 0.836 551 L CB 2.056 43.999 42.059 -0.193 0.000 1.324 551 L HN 0.617 nan 8.230 nan 0.000 0.406 552 F N 4.507 124.405 119.950 -0.087 0.000 2.368 552 F HA 0.501 5.011 4.527 -0.027 0.000 0.362 552 F C 0.073 175.822 175.800 -0.085 0.000 1.137 552 F CA -0.974 56.959 58.000 -0.111 0.000 1.161 552 F CB -0.197 38.739 39.000 -0.106 0.000 1.265 552 F HN 0.137 nan 8.300 nan 0.000 0.530 553 L N 4.473 125.667 121.223 -0.049 0.000 2.503 553 L HA 0.086 4.409 4.340 -0.027 0.000 0.287 553 L C -1.804 175.061 176.870 -0.009 0.000 1.252 553 L CA -1.670 53.060 54.840 -0.183 0.000 0.835 553 L CB 0.275 41.987 42.059 -0.578 0.000 1.099 553 L HN 0.371 nan 8.230 nan 0.000 0.516 554 P HA 0.071 nan 4.420 nan 0.000 0.284 554 P C -0.653 176.820 177.300 0.289 0.000 1.343 554 P CA -0.491 62.723 63.100 0.190 0.000 0.826 554 P CB 0.579 32.409 31.700 0.217 0.000 0.956 555 D N 1.849 122.370 120.400 0.202 0.000 2.403 555 D HA -0.184 4.439 4.640 -0.027 0.000 0.227 555 D C 0.801 177.208 176.300 0.177 0.000 0.995 555 D CA 1.030 55.162 54.000 0.221 0.000 0.928 555 D CB -0.264 40.606 40.800 0.116 0.000 0.887 555 D HN 0.422 nan 8.370 nan 0.000 0.529 556 E N 0.031 120.316 120.200 0.141 0.000 2.140 556 E HA -0.028 4.306 4.350 -0.027 0.000 0.191 556 E C 1.601 178.192 176.600 -0.017 0.000 0.973 556 E CA 0.465 56.903 56.400 0.063 0.000 0.829 556 E CB -0.112 29.617 29.700 0.049 0.000 0.781 556 E HN 0.355 nan 8.360 nan 0.000 0.466 557 Q N -0.167 119.605 119.800 -0.047 0.000 2.403 557 Q HA 0.122 4.446 4.340 -0.027 0.000 0.203 557 Q C -0.771 174.518 176.000 -1.185 0.000 0.932 557 Q CA 0.248 55.775 55.803 -0.459 0.000 0.945 557 Q CB 0.366 28.845 28.738 -0.433 0.000 1.045 557 Q HN 0.120 nan 8.270 nan 0.000 0.511 558 F N 0.924 120.620 119.950 -0.423 0.000 2.941 558 F HA 0.351 4.861 4.527 -0.028 0.000 0.359 558 F C -2.388 173.425 175.800 0.022 0.000 1.231 558 F CA -2.752 54.877 58.000 -0.618 0.000 1.089 558 F CB 1.297 39.934 39.000 -0.604 0.000 1.407 558 F HN -0.150 nan 8.300 nan 0.000 0.538 559 P HA 0.102 nan 4.420 nan 0.000 0.293 559 P C 0.593 178.123 177.300 0.384 0.000 1.298 559 P CA -0.051 63.212 63.100 0.272 0.000 0.757 559 P CB 1.259 33.085 31.700 0.210 0.000 1.262 560 E N -0.322 120.019 120.200 0.236 0.000 2.204 560 E HA -0.057 4.277 4.350 -0.027 0.000 0.194 560 E C 1.468 178.224 176.600 0.259 0.000 0.989 560 E CA 1.620 58.140 56.400 0.201 0.000 0.824 560 E CB -1.078 28.683 29.700 0.101 0.000 0.756 560 E HN 0.630 nan 8.360 nan 0.000 0.477 561 G N -0.683 108.256 108.800 0.231 0.000 4.144 561 G HA2 0.104 4.048 3.960 -0.027 0.000 0.297 561 G HA3 0.104 4.048 3.960 -0.027 0.000 0.297 561 G C -0.625 174.375 174.900 0.167 0.000 1.090 561 G CA -0.634 44.576 45.100 0.183 0.000 0.870 561 G HN 0.143 nan 8.290 nan 0.000 0.532 562 F N 1.695 121.680 119.950 0.059 0.000 2.578 562 F HA 0.284 4.794 4.527 -0.028 0.000 0.376 562 F C 0.704 176.406 175.800 -0.164 0.000 1.085 562 F CA 0.023 57.938 58.000 -0.140 0.000 1.260 562 F CB 0.815 39.625 39.000 -0.317 0.000 1.095 562 F HN 0.121 nan 8.300 nan 0.000 0.573 563 Q N 5.544 124.928 119.800 -0.694 0.000 2.278 563 Q HA 0.325 4.649 4.340 -0.027 0.000 0.257 563 Q C -1.298 174.381 176.000 -0.535 0.000 0.928 563 Q CA -0.528 55.037 55.803 -0.397 0.000 0.932 563 Q CB 1.416 29.977 28.738 -0.294 0.000 1.221 563 Q HN 0.505 nan 8.270 nan 0.000 0.434 564 F N 0.746 120.682 119.950 -0.023 0.000 2.425 564 F HA 0.203 4.713 4.527 -0.027 0.000 0.331 564 F C 0.388 176.293 175.800 0.174 0.000 1.085 564 F CA -0.798 57.305 58.000 0.173 0.000 1.028 564 F CB 1.161 40.215 39.000 0.089 0.000 1.177 564 F HN 0.372 nan 8.300 nan 0.000 0.487 565 D N 1.033 121.713 120.400 0.467 0.000 2.443 565 D HA 0.091 4.714 4.640 -0.027 0.000 0.221 565 D C 0.988 177.504 176.300 0.360 0.000 1.097 565 D CA 0.083 54.251 54.000 0.280 0.000 0.865 565 D CB 1.381 42.261 40.800 0.133 0.000 1.034 565 D HN 0.596 nan 8.370 nan 0.000 0.511 566 T N 1.649 116.374 114.554 0.284 0.000 2.962 566 T HA -0.105 4.229 4.350 -0.027 0.000 0.270 566 T C 0.872 175.658 174.700 0.143 0.000 1.088 566 T CA 1.224 63.478 62.100 0.256 0.000 1.127 566 T CB 0.136 69.099 68.868 0.157 0.000 0.883 566 T HN 0.336 nan 8.240 nan 0.000 0.493 567 D N 0.427 120.883 120.400 0.092 0.000 2.277 567 D HA 0.100 4.723 4.640 -0.027 0.000 0.209 567 D C 0.104 176.410 176.300 0.011 0.000 0.970 567 D CA 0.448 54.471 54.000 0.038 0.000 0.874 567 D CB 0.181 40.996 40.800 0.026 0.000 0.982 567 D HN 0.419 nan 8.370 nan 0.000 0.504 568 D N -0.141 120.266 120.400 0.012 0.000 2.340 568 D HA 0.222 4.846 4.640 -0.027 0.000 0.243 568 D C -0.271 175.970 176.300 -0.099 0.000 0.988 568 D CA -0.717 53.265 54.000 -0.030 0.000 0.959 568 D CB 2.600 43.390 40.800 -0.017 0.000 1.226 568 D HN -0.327 nan 8.370 nan 0.000 0.509 569 V N 2.718 122.550 119.914 -0.136 0.000 2.341 569 V HA 0.043 4.146 4.120 -0.027 0.000 0.248 569 V C 1.075 177.056 176.094 -0.188 0.000 1.107 569 V CA 0.102 62.250 62.300 -0.252 0.000 1.069 569 V CB -0.088 31.637 31.823 -0.164 0.000 1.177 569 V HN 0.411 nan 8.190 nan 0.000 0.492 570 N N 3.614 122.177 118.700 -0.228 0.000 2.282 570 N HA 0.187 4.910 4.740 -0.027 0.000 0.185 570 N C 0.029 175.790 175.510 0.419 0.000 1.099 570 N CA 0.136 53.279 53.050 0.155 0.000 0.878 570 N CB 0.372 39.084 38.487 0.375 0.000 0.993 570 N HN 0.623 nan 8.380 nan 0.000 0.481 571 F N -1.222 118.957 119.950 0.382 0.000 2.764 571 F HA 0.744 5.255 4.527 -0.028 0.000 0.347 571 F C -2.464 173.498 175.800 0.269 0.000 1.151 571 F CA -2.476 55.819 58.000 0.490 0.000 1.021 571 F CB -0.043 39.303 39.000 0.576 0.000 1.438 571 F HN -0.250 nan 8.300 nan 0.000 0.516 572 P HA 0.361 nan 4.420 nan 0.000 0.293 572 P C -0.367 177.016 177.300 0.138 0.000 1.300 572 P CA -0.240 62.969 63.100 0.183 0.000 0.792 572 P CB 2.105 33.892 31.700 0.145 0.000 0.925 573 L N 0.573 121.822 121.223 0.043 0.000 2.575 573 L HA 0.231 4.555 4.340 -0.027 0.000 0.228 573 L C 0.422 177.258 176.870 -0.055 0.000 1.075 573 L CA 0.281 55.119 54.840 -0.005 0.000 0.867 573 L CB 0.037 42.081 42.059 -0.025 0.000 1.097 573 L HN 0.260 nan 8.230 nan 0.000 0.485 574 D N 0.202 120.583 120.400 -0.032 0.000 2.326 574 D HA 0.217 4.841 4.640 -0.027 0.000 0.251 574 D C -0.181 176.099 176.300 -0.033 0.000 1.023 574 D CA -0.299 53.677 54.000 -0.041 0.000 0.966 574 D CB 0.833 41.616 40.800 -0.029 0.000 1.156 574 D HN -0.140 nan 8.370 nan 0.000 0.494 575 N N 0.379 119.056 118.700 -0.039 0.000 2.648 575 N HA -0.168 4.556 4.740 -0.027 0.000 0.265 575 N C -0.981 174.501 175.510 -0.047 0.000 1.100 575 N CA 0.519 53.548 53.050 -0.035 0.000 0.715 575 N CB -1.265 37.208 38.487 -0.023 0.000 0.881 575 N HN 0.352 nan 8.380 nan 0.000 0.548 576 L N -1.147 120.046 121.223 -0.049 0.000 2.335 576 L HA 0.579 4.902 4.340 -0.027 0.000 0.268 576 L C 0.969 177.814 176.870 -0.040 0.000 1.016 576 L CA -1.113 53.690 54.840 -0.062 0.000 0.805 576 L CB 1.528 43.552 42.059 -0.059 0.000 1.311 576 L HN 0.341 nan 8.230 nan 0.000 0.456 577 C N 1.327 120.592 119.300 -0.057 0.000 2.256 577 C HA 0.375 4.819 4.460 -0.027 0.000 0.333 577 C C 0.189 175.167 174.990 -0.020 0.000 1.183 577 C CA -0.879 58.124 59.018 -0.025 0.000 1.692 577 C CB -1.495 26.224 27.740 -0.036 0.000 2.274 577 C HN 0.527 nan 8.230 nan 0.000 0.509 578 F N 5.765 125.666 119.950 -0.081 0.000 2.543 578 F HA 0.300 4.810 4.527 -0.028 0.000 0.375 578 F C 0.845 176.608 175.800 -0.061 0.000 1.075 578 F CA 0.313 58.282 58.000 -0.051 0.000 1.225 578 F CB 1.009 39.996 39.000 -0.023 0.000 1.099 578 F HN 0.537 nan 8.300 nan 0.000 0.561 579 V N 4.428 124.090 119.914 -0.420 0.000 2.788 579 V HA 0.465 4.568 4.120 -0.027 0.000 0.241 579 V C 1.029 177.013 176.094 -0.184 0.000 1.083 579 V CA 0.752 62.885 62.300 -0.278 0.000 1.103 579 V CB -0.230 31.386 31.823 -0.344 0.000 0.800 579 V HN 1.041 nan 8.190 nan 0.000 0.476 580 G N -0.845 107.729 108.800 -0.376 0.000 2.316 580 G HA2 0.398 4.341 3.960 -0.027 0.000 0.296 580 G HA3 0.398 4.341 3.960 -0.027 0.000 0.296 580 G C -1.786 173.224 174.900 0.182 0.000 1.399 580 G CA -0.822 44.314 45.100 0.059 0.000 0.833 580 G HN 0.073 nan 8.290 nan 0.000 0.565 581 L N 0.340 121.879 121.223 0.526 0.000 2.387 581 L HA 0.828 5.152 4.340 -0.027 0.000 0.266 581 L C 0.336 177.382 176.870 0.292 0.000 1.059 581 L CA -1.083 54.051 54.840 0.489 0.000 0.801 581 L CB 1.602 43.994 42.059 0.554 0.000 1.223 581 L HN 0.719 nan 8.230 nan 0.000 0.456 582 I N -1.280 119.446 120.570 0.260 0.000 2.692 582 I HA 0.585 4.738 4.170 -0.027 0.000 0.293 582 I C -0.651 175.581 176.117 0.192 0.000 1.200 582 I CA -0.409 60.981 61.300 0.150 0.000 1.036 582 I CB 2.300 40.276 38.000 -0.040 0.000 1.258 582 I HN 0.571 nan 8.210 nan 0.000 0.421 583 S N 6.421 122.213 115.700 0.153 0.000 2.648 583 S HA 0.928 5.381 4.470 -0.027 0.000 0.305 583 S C -0.438 174.207 174.600 0.075 0.000 1.094 583 S CA -0.824 57.459 58.200 0.138 0.000 0.983 583 S CB 2.108 65.404 63.200 0.159 0.000 1.101 583 S HN 0.929 nan 8.310 nan 0.000 0.514 584 M N 1.035 120.671 119.600 0.061 0.000 2.534 584 M HA 0.713 5.177 4.480 -0.027 0.000 0.280 584 M C -1.607 174.703 176.300 0.017 0.000 1.217 584 M CA -0.811 54.501 55.300 0.020 0.000 0.893 584 M CB 1.772 34.383 32.600 0.018 0.000 1.730 584 M HN 0.872 nan 8.290 nan 0.000 0.483 585 I N 0.337 120.904 120.570 -0.005 0.000 3.434 585 I HA 0.417 4.571 4.170 -0.027 0.000 0.317 585 I C -1.565 174.541 176.117 -0.019 0.000 1.230 585 I CA -0.443 60.854 61.300 -0.005 0.000 0.918 585 I CB 2.649 40.649 38.000 0.001 0.000 1.337 585 I HN 0.983 nan 8.210 nan 0.000 0.482 586 D N 4.738 125.127 120.400 -0.020 0.000 2.470 586 D HA 0.288 4.912 4.640 -0.027 0.000 0.226 586 D C -2.206 174.069 176.300 -0.041 0.000 1.196 586 D CA -1.888 52.094 54.000 -0.030 0.000 0.979 586 D CB 0.305 41.088 40.800 -0.029 0.000 1.059 586 D HN 0.109 nan 8.370 nan 0.000 0.515 587 P HA 0.134 nan 4.420 nan 0.000 0.269 587 P C -2.598 174.662 177.300 -0.066 0.000 1.215 587 P CA -1.075 61.989 63.100 -0.059 0.000 0.780 587 P CB 0.403 32.063 31.700 -0.066 0.000 0.898 588 P HA 0.216 nan 4.420 nan 0.000 0.293 588 P C 0.677 177.918 177.300 -0.099 0.000 1.298 588 P CA -0.301 62.740 63.100 -0.098 0.000 0.757 588 P CB 0.503 32.141 31.700 -0.102 0.000 1.262 589 R N -0.657 119.766 120.500 -0.129 0.000 2.697 589 R HA 0.354 4.677 4.340 -0.027 0.000 0.262 589 R C 1.575 177.830 176.300 -0.075 0.000 1.255 589 R CA -0.082 55.955 56.100 -0.104 0.000 1.136 589 R CB -0.543 29.676 30.300 -0.135 0.000 1.169 589 R HN 0.429 nan 8.270 nan 0.000 0.594 590 A N 0.449 123.240 122.820 -0.048 0.000 1.832 590 A HA -0.092 4.211 4.320 -0.027 0.000 0.214 590 A C 1.674 179.241 177.584 -0.028 0.000 1.200 590 A CA 2.076 54.095 52.037 -0.030 0.000 0.610 590 A CB -0.671 18.322 19.000 -0.012 0.000 0.842 590 A HN 0.695 nan 8.150 nan 0.000 0.444 591 A N -1.493 121.319 122.820 -0.014 0.000 2.470 591 A HA 0.508 4.812 4.320 -0.027 0.000 0.251 591 A C 1.646 179.226 177.584 -0.007 0.000 1.245 591 A CA 0.562 52.600 52.037 0.001 0.000 0.932 591 A CB -0.225 18.793 19.000 0.030 0.000 1.037 591 A HN 0.272 nan 8.150 nan 0.000 0.522 592 V N 1.394 121.260 119.914 -0.079 0.000 2.252 592 V HA -0.282 3.821 4.120 -0.027 0.000 0.255 592 V C -0.096 175.938 176.094 -0.101 0.000 1.071 592 V CA 3.215 65.392 62.300 -0.205 0.000 1.050 592 V CB -1.047 30.570 31.823 -0.343 0.000 0.654 592 V HN 0.430 nan 8.190 nan 0.000 0.448 593 P HA -0.129 nan 4.420 nan 0.000 0.213 593 P C 1.486 178.785 177.300 -0.001 0.000 1.170 593 P CA 1.626 64.704 63.100 -0.038 0.000 0.893 593 P CB -0.134 31.546 31.700 -0.035 0.000 0.784 594 D N -0.821 119.582 120.400 0.005 0.000 2.149 594 D HA -0.196 4.427 4.640 -0.027 0.000 0.194 594 D C 1.841 178.165 176.300 0.041 0.000 1.001 594 D CA 1.722 55.734 54.000 0.019 0.000 0.849 594 D CB -0.554 40.256 40.800 0.016 0.000 0.939 594 D HN -0.020 nan 8.370 nan 0.000 0.449 595 A N 0.269 123.134 122.820 0.074 0.000 1.841 595 A HA -0.181 4.123 4.320 -0.027 0.000 0.216 595 A C 2.671 180.329 177.584 0.123 0.000 1.199 595 A CA 2.135 54.252 52.037 0.133 0.000 0.621 595 A CB -1.095 18.085 19.000 0.301 0.000 0.835 595 A HN 0.170 nan 8.150 nan 0.000 0.445 596 V N 0.240 120.234 119.914 0.133 0.000 2.317 596 V HA -0.309 3.795 4.120 -0.027 0.000 0.251 596 V C 2.795 178.924 176.094 0.058 0.000 1.065 596 V CA 2.257 64.620 62.300 0.105 0.000 1.049 596 V CB -1.703 30.156 31.823 0.060 0.000 0.651 596 V HN 0.689 nan 8.190 nan 0.000 0.450 597 G N -0.185 108.639 108.800 0.039 0.000 2.476 597 G HA2 -0.274 3.670 3.960 -0.027 0.000 0.218 597 G HA3 -0.274 3.670 3.960 -0.027 0.000 0.218 597 G C 1.606 176.519 174.900 0.022 0.000 1.164 597 G CA 0.966 46.081 45.100 0.024 0.000 0.768 597 G HN 0.407 nan 8.290 nan 0.000 0.560 598 K N 0.275 120.691 120.400 0.026 0.000 2.015 598 K HA -0.160 4.144 4.320 -0.027 0.000 0.216 598 K C 2.605 179.211 176.600 0.010 0.000 1.052 598 K CA 1.447 57.743 56.287 0.016 0.000 0.937 598 K CB -1.309 31.201 32.500 0.017 0.000 0.719 598 K HN 0.397 nan 8.250 nan 0.000 0.446 599 C N 0.840 120.150 119.300 0.017 0.000 2.413 599 C HA -0.073 4.371 4.460 -0.027 0.000 0.277 599 C C 2.757 177.750 174.990 0.006 0.000 1.265 599 C CA 0.529 59.550 59.018 0.006 0.000 1.752 599 C CB -0.876 26.872 27.740 0.014 0.000 1.998 599 C HN 0.440 nan 8.230 nan 0.000 0.489 600 R N 0.831 121.339 120.500 0.014 0.000 2.092 600 R HA -0.078 4.245 4.340 -0.027 0.000 0.231 600 R C 2.243 178.547 176.300 0.006 0.000 1.119 600 R CA 1.465 57.572 56.100 0.011 0.000 0.970 600 R CB -0.533 29.776 30.300 0.015 0.000 0.864 600 R HN 0.475 nan 8.270 nan 0.000 0.440 601 S N 0.898 116.601 115.700 0.005 0.000 2.447 601 S HA -0.067 4.386 4.470 -0.027 0.000 0.233 601 S C 1.871 176.469 174.600 -0.003 0.000 1.006 601 S CA 1.110 59.311 58.200 0.001 0.000 0.957 601 S CB 0.090 63.291 63.200 0.002 0.000 0.773 601 S HN 0.443 nan 8.310 nan 0.000 0.507 602 A N 0.252 123.069 122.820 -0.006 0.000 2.132 602 A HA 0.510 4.814 4.320 -0.027 0.000 0.213 602 A C 1.635 179.211 177.584 -0.015 0.000 1.154 602 A CA 0.802 52.831 52.037 -0.013 0.000 0.753 602 A CB -0.450 18.538 19.000 -0.020 0.000 0.826 602 A HN 0.868 nan 8.150 nan 0.000 0.469 603 G N -0.955 107.840 108.800 -0.009 0.000 2.134 603 G HA2 -0.162 3.781 3.960 -0.027 0.000 0.209 603 G HA3 -0.162 3.781 3.960 -0.027 0.000 0.209 603 G C 0.005 174.899 174.900 -0.010 0.000 0.993 603 G CA 0.041 45.136 45.100 -0.008 0.000 0.669 603 G HN 0.385 nan 8.290 nan 0.000 0.519 604 I N 0.933 121.497 120.570 -0.009 0.000 2.371 604 I HA 0.245 4.399 4.170 -0.027 0.000 0.290 604 I C 0.853 176.972 176.117 0.003 0.000 1.028 604 I CA -0.501 60.794 61.300 -0.009 0.000 1.345 604 I CB 1.347 39.338 38.000 -0.015 0.000 1.407 604 I HN 0.043 nan 8.210 nan 0.000 0.501 605 K N 5.913 126.317 120.400 0.006 0.000 2.339 605 K HA 0.331 4.635 4.320 -0.027 0.000 0.286 605 K C -0.997 175.617 176.600 0.024 0.000 1.050 605 K CA -0.377 55.920 56.287 0.018 0.000 0.956 605 K CB 0.804 33.316 32.500 0.020 0.000 0.990 605 K HN 0.383 nan 8.250 nan 0.000 0.475 606 V N 6.713 126.647 119.914 0.032 0.000 2.407 606 V HA 0.399 4.503 4.120 -0.027 0.000 0.278 606 V C 0.073 176.195 176.094 0.047 0.000 1.037 606 V CA -0.622 61.702 62.300 0.041 0.000 0.900 606 V CB 1.072 32.921 31.823 0.044 0.000 0.983 606 V HN 0.686 nan 8.190 nan 0.000 0.459 607 I N 5.246 125.848 120.570 0.054 0.000 2.512 607 I HA 0.397 4.551 4.170 -0.027 0.000 0.287 607 I C -0.312 175.850 176.117 0.074 0.000 1.069 607 I CA -0.396 60.950 61.300 0.078 0.000 1.056 607 I CB 1.987 40.050 38.000 0.105 0.000 1.229 607 I HN 0.622 nan 8.210 nan 0.000 0.429 608 M N 7.796 127.440 119.600 0.072 0.000 2.120 608 M HA 0.406 4.869 4.480 -0.027 0.000 0.354 608 M C -1.515 174.839 176.300 0.090 0.000 1.287 608 M CA -0.162 55.169 55.300 0.052 0.000 1.103 608 M CB 0.766 33.377 32.600 0.018 0.000 1.623 608 M HN 0.341 nan 8.290 nan 0.000 0.471 609 V N 5.002 124.944 119.914 0.048 0.000 2.266 609 V HA 0.378 4.482 4.120 -0.027 0.000 0.271 609 V C -0.139 175.947 176.094 -0.014 0.000 1.032 609 V CA -0.431 61.888 62.300 0.033 0.000 0.806 609 V CB 1.010 32.812 31.823 -0.036 0.000 1.052 609 V HN 0.931 nan 8.190 nan 0.000 0.449 610 T N 2.615 117.158 114.554 -0.019 0.000 2.893 610 T HA 0.578 4.912 4.350 -0.027 0.000 0.291 610 T C 0.968 175.609 174.700 -0.097 0.000 1.028 610 T CA 0.263 62.325 62.100 -0.062 0.000 0.995 610 T CB 1.822 70.651 68.868 -0.065 0.000 1.051 610 T HN 0.648 nan 8.240 nan 0.000 0.470 611 G N 2.265 110.988 108.800 -0.129 0.000 3.262 611 G HA2 0.172 4.116 3.960 -0.027 0.000 0.228 611 G HA3 0.172 4.116 3.960 -0.027 0.000 0.228 611 G C 0.322 175.073 174.900 -0.248 0.000 1.197 611 G CA -0.182 44.812 45.100 -0.178 0.000 0.819 611 G HN 0.687 nan 8.290 nan 0.000 0.531 612 D N -0.200 120.066 120.400 -0.224 0.000 2.433 612 D HA 0.116 4.740 4.640 -0.027 0.000 0.255 612 D C 0.090 176.205 176.300 -0.308 0.000 1.226 612 D CA -0.625 53.202 54.000 -0.287 0.000 1.015 612 D CB 0.526 41.235 40.800 -0.151 0.000 1.091 612 D HN 0.108 nan 8.370 nan 0.000 0.527 613 H N 0.451 119.502 119.070 -0.032 0.000 2.610 613 H HA 0.144 4.683 4.556 -0.028 0.000 0.336 613 H C -1.513 173.823 175.328 0.012 0.000 1.087 613 H CA -1.495 54.561 56.048 0.014 0.000 1.405 613 H CB 0.960 30.747 29.762 0.041 0.000 1.460 613 H HN 0.306 nan 8.280 nan 0.000 0.538 614 P HA -0.251 nan 4.420 nan 0.000 0.217 614 P C 1.653 178.989 177.300 0.060 0.000 1.162 614 P CA 1.064 64.219 63.100 0.092 0.000 0.901 614 P CB 0.252 32.029 31.700 0.127 0.000 0.793 615 I N -0.696 119.918 120.570 0.074 0.000 2.094 615 I HA -0.293 3.861 4.170 -0.027 0.000 0.236 615 I C 2.126 178.257 176.117 0.023 0.000 1.016 615 I CA 2.251 63.571 61.300 0.033 0.000 1.294 615 I CB -2.250 35.764 38.000 0.024 0.000 1.006 615 I HN 0.046 nan 8.210 nan 0.000 0.397 616 T N 1.062 115.641 114.554 0.042 0.000 2.904 616 T HA 0.014 4.347 4.350 -0.027 0.000 0.267 616 T C 1.985 176.687 174.700 0.004 0.000 1.059 616 T CA 1.209 63.322 62.100 0.022 0.000 1.137 616 T CB -0.354 68.535 68.868 0.035 0.000 0.879 616 T HN 0.472 nan 8.240 nan 0.000 0.467 617 A N 2.343 125.166 122.820 0.006 0.000 1.834 617 A HA -0.169 4.134 4.320 -0.027 0.000 0.216 617 A C 2.181 179.753 177.584 -0.020 0.000 1.203 617 A CA 2.122 54.149 52.037 -0.016 0.000 0.621 617 A CB -0.767 18.219 19.000 -0.022 0.000 0.841 617 A HN 0.480 nan 8.150 nan 0.000 0.446 618 K N -0.275 120.114 120.400 -0.018 0.000 2.228 618 K HA -0.184 4.119 4.320 -0.027 0.000 0.205 618 K C 1.976 178.562 176.600 -0.022 0.000 1.045 618 K CA 1.454 57.726 56.287 -0.025 0.000 0.931 618 K CB -0.345 32.141 32.500 -0.024 0.000 0.727 618 K HN 0.421 nan 8.250 nan 0.000 0.458 619 A N 1.632 124.442 122.820 -0.018 0.000 1.832 619 A HA -0.129 4.175 4.320 -0.027 0.000 0.214 619 A C 1.984 179.556 177.584 -0.021 0.000 1.200 619 A CA 1.456 53.483 52.037 -0.018 0.000 0.610 619 A CB -0.531 18.461 19.000 -0.013 0.000 0.842 619 A HN 0.298 nan 8.150 nan 0.000 0.444 620 I N 0.402 120.957 120.570 -0.024 0.000 2.399 620 I HA -0.278 3.876 4.170 -0.027 0.000 0.254 620 I C 2.826 178.922 176.117 -0.036 0.000 1.146 620 I CA 1.390 62.670 61.300 -0.034 0.000 1.412 620 I CB -1.741 36.233 38.000 -0.043 0.000 1.076 620 I HN 0.391 nan 8.210 nan 0.000 0.432 621 A N 1.318 124.119 122.820 -0.031 0.000 1.858 621 A HA -0.217 4.086 4.320 -0.027 0.000 0.216 621 A C 2.333 179.903 177.584 -0.024 0.000 1.190 621 A CA 1.612 53.632 52.037 -0.028 0.000 0.617 621 A CB -0.523 18.460 19.000 -0.027 0.000 0.827 621 A HN 0.375 nan 8.150 nan 0.000 0.443 622 K N -0.742 119.645 120.400 -0.022 0.000 2.362 622 K HA -0.026 4.277 4.320 -0.027 0.000 0.200 622 K C 1.789 178.379 176.600 -0.017 0.000 1.046 622 K CA 0.726 57.003 56.287 -0.018 0.000 0.952 622 K CB -0.211 32.278 32.500 -0.017 0.000 0.753 622 K HN 0.481 nan 8.250 nan 0.000 0.466 623 G N 0.732 109.519 108.800 -0.021 0.000 2.683 623 G HA2 -0.091 3.852 3.960 -0.027 0.000 0.213 623 G HA3 -0.091 3.852 3.960 -0.027 0.000 0.213 623 G C 1.389 176.271 174.900 -0.030 0.000 1.142 623 G CA 0.572 45.659 45.100 -0.021 0.000 0.793 623 G HN 0.252 nan 8.290 nan 0.000 0.534 624 V N -3.606 116.287 119.914 -0.036 0.000 3.661 624 V HA 0.582 4.686 4.120 -0.027 0.000 0.271 624 V C 1.567 177.646 176.094 -0.025 0.000 1.315 624 V CA 0.861 63.135 62.300 -0.044 0.000 1.072 624 V CB -0.015 31.766 31.823 -0.071 0.000 0.830 624 V HN 0.970 nan 8.190 nan 0.000 0.443 625 G N 0.844 109.634 108.800 -0.017 0.000 2.144 625 G HA2 -0.234 3.709 3.960 -0.027 0.000 0.218 625 G HA3 -0.234 3.709 3.960 -0.027 0.000 0.218 625 G C 0.525 175.425 174.900 -0.000 0.000 0.988 625 G CA 0.400 45.496 45.100 -0.006 0.000 0.659 625 G HN 0.500 nan 8.290 nan 0.000 0.522 626 I N -0.022 120.545 120.570 -0.004 0.000 2.394 626 I HA 0.116 4.270 4.170 -0.027 0.000 0.251 626 I C 1.194 177.312 176.117 0.001 0.000 1.136 626 I CA 1.218 62.520 61.300 0.003 0.000 1.425 626 I CB -0.016 37.983 38.000 -0.001 0.000 1.079 626 I HN 0.195 nan 8.210 nan 0.000 0.425 627 I N 0.927 121.494 120.570 -0.005 0.000 2.411 627 I HA 0.125 4.279 4.170 -0.027 0.000 0.284 627 I C 0.481 176.595 176.117 -0.005 0.000 1.012 627 I CA -0.435 60.862 61.300 -0.005 0.000 1.119 627 I CB 1.487 39.479 38.000 -0.013 0.000 1.261 627 I HN 0.075 nan 8.210 nan 0.000 0.448 628 S N 4.208 119.908 115.700 -0.000 0.000 2.641 628 S HA 0.340 4.793 4.470 -0.027 0.000 0.261 628 S C -0.044 174.555 174.600 -0.003 0.000 1.257 628 S CA -0.624 57.575 58.200 -0.001 0.000 0.983 628 S CB 1.408 64.609 63.200 0.003 0.000 0.990 628 S HN 0.530 nan 8.310 nan 0.000 0.572 629 E N -0.255 119.943 120.200 -0.003 0.000 2.398 629 E HA 0.441 4.774 4.350 -0.027 0.000 0.263 629 E C 1.398 177.996 176.600 -0.004 0.000 1.046 629 E CA 1.341 57.738 56.400 -0.005 0.000 0.908 629 E CB 0.101 29.798 29.700 -0.005 0.000 0.963 629 E HN 1.105 nan 8.360 nan 0.000 0.431 630 G N 3.717 112.513 108.800 -0.006 0.000 2.267 630 G HA2 -0.318 3.625 3.960 -0.027 0.000 0.257 630 G HA3 -0.318 3.625 3.960 -0.027 0.000 0.257 630 G C 0.350 175.248 174.900 -0.003 0.000 0.998 630 G CA 0.314 45.410 45.100 -0.005 0.000 0.620 630 G HN 0.582 nan 8.290 nan 0.000 0.529 631 N N 1.134 119.834 118.700 -0.001 0.000 2.513 631 N HA 0.472 5.196 4.740 -0.027 0.000 0.274 631 N C -0.252 175.259 175.510 0.002 0.000 1.189 631 N CA 0.302 53.354 53.050 0.004 0.000 0.975 631 N CB 0.674 39.167 38.487 0.010 0.000 1.157 631 N HN 0.567 nan 8.380 nan 0.000 0.465 632 E N -0.308 119.896 120.200 0.007 0.000 2.393 632 E HA 0.239 4.572 4.350 -0.027 0.000 0.273 632 E C -0.659 175.949 176.600 0.012 0.000 0.918 632 E CA -0.854 55.548 56.400 0.003 0.000 0.773 632 E CB 1.820 31.520 29.700 0.001 0.000 1.275 632 E HN 0.557 nan 8.360 nan 0.000 0.451 633 T N -2.429 112.125 114.554 -0.000 0.000 2.874 633 T HA 0.168 4.502 4.350 -0.027 0.000 0.281 633 T C 1.560 176.266 174.700 0.010 0.000 0.994 633 T CA -0.425 61.675 62.100 -0.001 0.000 1.015 633 T CB 1.027 69.879 68.868 -0.028 0.000 1.028 633 T HN 0.352 nan 8.240 nan 0.000 0.523 634 V N -0.429 119.498 119.914 0.022 0.000 2.453 634 V HA -0.164 3.940 4.120 -0.027 0.000 0.252 634 V C 2.220 178.317 176.094 0.004 0.000 1.068 634 V CA 1.939 64.252 62.300 0.022 0.000 1.070 634 V CB -1.471 30.371 31.823 0.033 0.000 0.664 634 V HN 0.863 nan 8.190 nan 0.000 0.461 635 E N 0.781 120.978 120.200 -0.006 0.000 2.072 635 E HA -0.114 4.219 4.350 -0.027 0.000 0.190 635 E C 1.995 178.587 176.600 -0.013 0.000 0.982 635 E CA 1.358 57.751 56.400 -0.011 0.000 0.803 635 E CB -0.491 29.199 29.700 -0.017 0.000 0.755 635 E HN 0.629 nan 8.360 nan 0.000 0.453 636 D N 0.524 120.916 120.400 -0.013 0.000 2.116 636 D HA -0.178 4.446 4.640 -0.027 0.000 0.193 636 D C 1.988 178.281 176.300 -0.012 0.000 0.998 636 D CA 0.992 54.983 54.000 -0.014 0.000 0.836 636 D CB -0.253 40.539 40.800 -0.013 0.000 0.951 636 D HN 0.204 nan 8.370 nan 0.000 0.449 637 I N 1.183 121.748 120.570 -0.007 0.000 2.179 637 I HA -0.273 3.881 4.170 -0.027 0.000 0.242 637 I C 2.550 178.662 176.117 -0.009 0.000 1.088 637 I CA 1.086 62.382 61.300 -0.007 0.000 1.357 637 I CB -0.361 37.637 38.000 -0.003 0.000 1.051 637 I HN -0.069 nan 8.210 nan 0.000 0.409 638 A N 0.841 123.656 122.820 -0.008 0.000 1.948 638 A HA -0.241 4.063 4.320 -0.027 0.000 0.220 638 A C 2.503 180.080 177.584 -0.012 0.000 1.177 638 A CA 2.213 54.245 52.037 -0.009 0.000 0.636 638 A CB -0.780 18.215 19.000 -0.009 0.000 0.815 638 A HN 0.488 nan 8.150 nan 0.000 0.449 639 A N -0.700 122.111 122.820 -0.014 0.000 1.897 639 A HA -0.051 4.253 4.320 -0.027 0.000 0.215 639 A C 2.223 179.797 177.584 -0.017 0.000 1.181 639 A CA 1.501 53.527 52.037 -0.017 0.000 0.620 639 A CB -0.442 18.545 19.000 -0.021 0.000 0.821 639 A HN 0.564 nan 8.150 nan 0.000 0.443 640 R N -0.824 119.666 120.500 -0.016 0.000 2.070 640 R HA -0.085 4.239 4.340 -0.027 0.000 0.232 640 R C 1.255 177.547 176.300 -0.013 0.000 1.138 640 R CA 1.625 57.716 56.100 -0.015 0.000 0.936 640 R CB -0.374 29.918 30.300 -0.014 0.000 0.839 640 R HN 0.352 nan 8.270 nan 0.000 0.429 641 L N 1.903 123.119 121.223 -0.012 0.000 2.610 641 L HA 0.034 4.358 4.340 -0.027 0.000 0.232 641 L C 0.292 177.156 176.870 -0.011 0.000 1.149 641 L CA 0.693 55.527 54.840 -0.011 0.000 0.872 641 L CB -1.108 40.945 42.059 -0.010 0.000 0.992 641 L HN 0.380 nan 8.230 nan 0.000 0.447 642 N N 0.547 119.240 118.700 -0.012 0.000 2.725 642 N HA -0.240 4.484 4.740 -0.027 0.000 0.251 642 N C -0.159 175.344 175.510 -0.010 0.000 1.031 642 N CA 0.963 54.006 53.050 -0.012 0.000 0.720 642 N CB -0.909 37.571 38.487 -0.012 0.000 0.930 642 N HN 0.578 nan 8.380 nan 0.000 0.543 643 I N -3.570 116.994 120.570 -0.010 0.000 3.100 643 I HA 0.799 4.952 4.170 -0.027 0.000 0.312 643 I C -1.840 174.272 176.117 -0.008 0.000 1.063 643 I CA -2.196 59.099 61.300 -0.008 0.000 1.031 643 I CB 1.376 39.371 38.000 -0.008 0.000 1.243 643 I HN -0.207 nan 8.210 nan 0.000 0.483 644 P HA 0.113 nan 4.420 nan 0.000 0.274 644 P C 0.886 178.183 177.300 -0.006 0.000 1.264 644 P CA -0.457 62.639 63.100 -0.006 0.000 0.795 644 P CB 0.538 32.234 31.700 -0.005 0.000 1.064 645 V N -1.405 118.506 119.914 -0.005 0.000 2.346 645 V HA -0.117 3.986 4.120 -0.027 0.000 0.244 645 V C 1.456 177.550 176.094 0.000 0.000 1.037 645 V CA 2.033 64.332 62.300 -0.003 0.000 1.029 645 V CB -1.727 30.094 31.823 -0.004 0.000 0.663 645 V HN 0.611 nan 8.190 nan 0.000 0.454 646 S N -0.381 115.319 115.700 0.000 0.000 2.815 646 S HA 0.221 4.675 4.470 -0.027 0.000 0.254 646 S C 0.876 175.476 174.600 -0.000 0.000 1.197 646 S CA -0.238 57.963 58.200 0.002 0.000 1.216 646 S CB 0.084 63.285 63.200 0.003 0.000 0.871 646 S HN 0.553 nan 8.310 nan 0.000 0.473 647 Q N 0.025 119.824 119.800 -0.002 0.000 2.081 647 Q HA 0.316 4.640 4.340 -0.027 0.000 0.220 647 Q C -0.555 175.442 176.000 -0.005 0.000 0.775 647 Q CA 0.102 55.903 55.803 -0.004 0.000 0.983 647 Q CB 1.459 30.194 28.738 -0.005 0.000 1.188 647 Q HN 0.482 nan 8.270 nan 0.000 0.458 648 V N 2.371 122.283 119.914 -0.003 0.000 2.370 648 V HA 0.231 4.335 4.120 -0.027 0.000 0.283 648 V C 0.374 176.465 176.094 -0.005 0.000 1.023 648 V CA -0.782 61.516 62.300 -0.004 0.000 0.857 648 V CB 1.430 33.253 31.823 -0.001 0.000 0.985 648 V HN 0.248 nan 8.190 nan 0.000 0.443 649 N N 6.382 125.075 118.700 -0.012 0.000 2.417 649 N HA 0.008 4.731 4.740 -0.027 0.000 0.272 649 N C -1.568 173.931 175.510 -0.019 0.000 1.304 649 N CA -1.083 51.954 53.050 -0.022 0.000 0.906 649 N CB 1.189 39.656 38.487 -0.032 0.000 1.135 649 N HN 0.385 nan 8.380 nan 0.000 0.483 650 P HA -0.178 nan 4.420 nan 0.000 0.218 650 P C 0.944 178.224 177.300 -0.034 0.000 1.146 650 P CA 1.027 64.132 63.100 0.008 0.000 0.813 650 P CB 0.203 31.916 31.700 0.023 0.000 0.778 651 R N -0.547 119.903 120.500 -0.083 0.000 2.189 651 R HA -0.067 4.257 4.340 -0.027 0.000 0.223 651 R C 1.207 177.460 176.300 -0.079 0.000 1.092 651 R CA 1.030 57.054 56.100 -0.125 0.000 0.989 651 R CB -1.185 29.023 30.300 -0.154 0.000 0.876 651 R HN 0.280 nan 8.270 nan 0.000 0.457 652 D N 0.650 121.023 120.400 -0.045 0.000 2.347 652 D HA 0.002 4.626 4.640 -0.027 0.000 0.215 652 D C 0.095 176.392 176.300 -0.004 0.000 0.976 652 D CA 0.484 54.469 54.000 -0.025 0.000 0.884 652 D CB 0.152 40.941 40.800 -0.018 0.000 0.915 652 D HN 0.086 nan 8.370 nan 0.000 0.526 653 A N 1.037 123.865 122.820 0.013 0.000 2.621 653 A HA 0.147 4.450 4.320 -0.027 0.000 0.329 653 A C 1.394 179.039 177.584 0.101 0.000 1.458 653 A CA -0.447 51.628 52.037 0.063 0.000 1.052 653 A CB 0.355 19.419 19.000 0.106 0.000 1.142 653 A HN -0.186 nan 8.150 nan 0.000 0.523 654 K N 1.184 121.627 120.400 0.072 0.000 2.148 654 K HA -0.033 4.270 4.320 -0.027 0.000 0.204 654 K C 1.113 177.827 176.600 0.189 0.000 1.050 654 K CA 1.361 57.698 56.287 0.084 0.000 0.942 654 K CB -0.063 32.462 32.500 0.043 0.000 0.724 654 K HN 0.760 nan 8.250 nan 0.000 0.446 655 A N 0.416 123.323 122.820 0.146 0.000 2.247 655 A HA 0.570 4.874 4.320 -0.027 0.000 0.313 655 A C 0.204 177.808 177.584 0.034 0.000 1.109 655 A CA -0.199 51.890 52.037 0.087 0.000 0.890 655 A CB 0.722 19.733 19.000 0.018 0.000 1.239 655 A HN 0.491 nan 8.150 nan 0.000 0.506 656 C N -3.225 115.984 119.300 -0.150 0.000 3.211 656 C HA 0.754 5.198 4.460 -0.027 0.000 0.350 656 C C -1.290 173.548 174.990 -0.253 0.000 1.413 656 C CA -0.643 58.223 59.018 -0.254 0.000 1.203 656 C CB 0.550 27.948 27.740 -0.570 0.000 1.506 656 C HN 1.035 nan 8.230 nan 0.000 0.448 657 V N 0.450 120.221 119.914 -0.238 0.000 2.851 657 V HA 0.738 4.841 4.120 -0.027 0.000 0.307 657 V C -0.932 175.034 176.094 -0.212 0.000 1.129 657 V CA -0.374 61.797 62.300 -0.216 0.000 0.932 657 V CB 1.803 33.559 31.823 -0.112 0.000 1.024 657 V HN 0.961 nan 8.190 nan 0.000 0.426 658 V N 3.403 123.163 119.914 -0.256 0.000 2.443 658 V HA 0.424 4.528 4.120 -0.027 0.000 0.293 658 V C -0.218 175.865 176.094 -0.018 0.000 1.021 658 V CA -0.638 61.561 62.300 -0.168 0.000 0.848 658 V CB 1.487 33.117 31.823 -0.321 0.000 0.998 658 V HN 0.921 nan 8.190 nan 0.000 0.424 659 H N 3.016 122.069 119.070 -0.028 0.000 2.652 659 H HA 0.184 4.723 4.556 -0.029 0.000 0.349 659 H C 1.368 176.720 175.328 0.039 0.000 1.099 659 H CA 0.822 56.877 56.048 0.012 0.000 1.417 659 H CB 2.074 31.846 29.762 0.016 0.000 1.457 659 H HN 0.776 nan 8.280 nan 0.000 0.568 660 G N 2.413 111.161 108.800 -0.087 0.000 2.479 660 G HA2 -0.264 3.679 3.960 -0.027 0.000 0.220 660 G HA3 -0.264 3.679 3.960 -0.027 0.000 0.220 660 G C 1.635 176.628 174.900 0.155 0.000 1.115 660 G CA 0.856 45.974 45.100 0.029 0.000 0.757 660 G HN 0.575 nan 8.290 nan 0.000 0.560 661 S N -0.155 115.762 115.700 0.363 0.000 2.481 661 S HA -0.043 4.411 4.470 -0.027 0.000 0.231 661 S C 1.736 176.418 174.600 0.137 0.000 0.996 661 S CA 1.249 59.590 58.200 0.235 0.000 0.942 661 S CB -0.135 63.185 63.200 0.200 0.000 0.768 661 S HN 0.341 nan 8.310 nan 0.000 0.520 662 D N 0.682 121.167 120.400 0.143 0.000 2.327 662 D HA 0.150 4.774 4.640 -0.027 0.000 0.205 662 D C 1.662 178.013 176.300 0.086 0.000 0.989 662 D CA 0.262 54.317 54.000 0.090 0.000 0.873 662 D CB -0.054 40.793 40.800 0.078 0.000 0.955 662 D HN 0.350 nan 8.370 nan 0.000 0.515 663 L N 0.633 121.918 121.223 0.103 0.000 2.313 663 L HA -0.014 4.310 4.340 -0.027 0.000 0.214 663 L C 2.277 179.188 176.870 0.068 0.000 1.119 663 L CA 0.568 55.467 54.840 0.098 0.000 0.809 663 L CB 0.090 42.221 42.059 0.120 0.000 0.933 663 L HN -0.100 nan 8.230 nan 0.000 0.449 664 K N -0.071 120.368 120.400 0.065 0.000 2.160 664 K HA -0.218 4.086 4.320 -0.027 0.000 0.206 664 K C 0.556 177.181 176.600 0.041 0.000 1.047 664 K CA 1.734 58.051 56.287 0.050 0.000 0.930 664 K CB 0.136 32.669 32.500 0.056 0.000 0.720 664 K HN 0.223 nan 8.250 nan 0.000 0.450 665 D N -0.179 120.248 120.400 0.044 0.000 2.424 665 D HA 0.108 4.731 4.640 -0.027 0.000 0.220 665 D C -0.337 175.985 176.300 0.038 0.000 1.150 665 D CA 0.175 54.198 54.000 0.037 0.000 0.831 665 D CB 0.334 41.155 40.800 0.036 0.000 0.981 665 D HN 0.189 nan 8.370 nan 0.000 0.500 666 M N 0.562 120.188 119.600 0.043 0.000 2.144 666 M HA 0.136 4.600 4.480 -0.027 0.000 0.356 666 M C 0.485 176.807 176.300 0.035 0.000 1.217 666 M CA -0.012 55.316 55.300 0.046 0.000 1.087 666 M CB 1.614 34.253 32.600 0.065 0.000 1.609 666 M HN -0.211 nan 8.290 nan 0.000 0.467 667 T N 1.088 115.661 114.554 0.032 0.000 2.899 667 T HA 0.117 4.450 4.350 -0.027 0.000 0.295 667 T C 1.353 176.066 174.700 0.022 0.000 1.033 667 T CA -0.190 61.924 62.100 0.023 0.000 1.084 667 T CB 0.769 69.650 68.868 0.022 0.000 0.979 667 T HN 0.858 nan 8.240 nan 0.000 0.532 668 S N 2.948 118.655 115.700 0.011 0.000 2.402 668 S HA -0.162 4.291 4.470 -0.027 0.000 0.233 668 S C 1.580 176.184 174.600 0.006 0.000 1.030 668 S CA 1.351 59.554 58.200 0.004 0.000 1.003 668 S CB -0.492 62.703 63.200 -0.007 0.000 0.813 668 S HN 0.808 nan 8.310 nan 0.000 0.477 669 E N 1.666 121.872 120.200 0.010 0.000 2.153 669 E HA -0.110 4.224 4.350 -0.027 0.000 0.194 669 E C 2.307 178.917 176.600 0.017 0.000 0.988 669 E CA 1.429 57.835 56.400 0.010 0.000 0.811 669 E CB -0.378 29.332 29.700 0.016 0.000 0.746 669 E HN 0.713 nan 8.360 nan 0.000 0.466 670 Q N -0.082 119.737 119.800 0.032 0.000 2.049 670 Q HA -0.044 4.279 4.340 -0.027 0.000 0.198 670 Q C 2.233 178.267 176.000 0.057 0.000 0.971 670 Q CA 1.139 56.971 55.803 0.049 0.000 0.833 670 Q CB -0.144 28.629 28.738 0.058 0.000 0.896 670 Q HN 0.276 nan 8.270 nan 0.000 0.434 671 L N 0.556 121.817 121.223 0.064 0.000 2.012 671 L HA -0.237 4.086 4.340 -0.027 0.000 0.210 671 L C 1.873 178.777 176.870 0.056 0.000 1.073 671 L CA 1.074 55.972 54.840 0.097 0.000 0.748 671 L CB -0.873 41.225 42.059 0.066 0.000 0.891 671 L HN 0.178 nan 8.230 nan 0.000 0.431 672 D N 0.761 121.165 120.400 0.007 0.000 2.177 672 D HA -0.233 4.390 4.640 -0.027 0.000 0.189 672 D C 1.863 178.107 176.300 -0.093 0.000 1.002 672 D CA 1.885 55.863 54.000 -0.036 0.000 0.845 672 D CB -0.320 40.457 40.800 -0.039 0.000 0.960 672 D HN 0.329 nan 8.370 nan 0.000 0.447 673 D N -0.215 120.124 120.400 -0.101 0.000 2.178 673 D HA -0.083 4.541 4.640 -0.027 0.000 0.201 673 D C 2.288 178.472 176.300 -0.194 0.000 0.980 673 D CA 0.289 54.144 54.000 -0.242 0.000 0.842 673 D CB -0.224 40.546 40.800 -0.051 0.000 0.948 673 D HN 0.344 nan 8.370 nan 0.000 0.472 674 I N 0.217 120.801 120.570 0.023 0.000 2.315 674 I HA -0.226 3.927 4.170 -0.027 0.000 0.248 674 I C 2.096 178.321 176.117 0.180 0.000 1.117 674 I CA 0.677 62.077 61.300 0.168 0.000 1.404 674 I CB -0.112 37.965 38.000 0.129 0.000 1.071 674 I HN -0.031 nan 8.210 nan 0.000 0.419 675 L N 0.311 121.583 121.223 0.082 0.000 2.217 675 L HA -0.126 4.198 4.340 -0.027 0.000 0.211 675 L C 2.403 179.265 176.870 -0.014 0.000 1.107 675 L CA 1.246 56.131 54.840 0.075 0.000 0.783 675 L CB -0.441 41.656 42.059 0.064 0.000 0.919 675 L HN 0.093 nan 8.230 nan 0.000 0.442 676 K N -0.928 119.364 120.400 -0.180 0.000 2.076 676 K HA -0.071 4.233 4.320 -0.027 0.000 0.204 676 K C 1.565 178.052 176.600 -0.187 0.000 1.051 676 K CA 1.207 57.319 56.287 -0.292 0.000 0.949 676 K CB -0.018 32.126 32.500 -0.593 0.000 0.726 676 K HN 0.182 nan 8.250 nan 0.000 0.443 677 Y N -0.388 119.888 120.300 -0.040 0.000 2.466 677 Y HA 0.151 4.685 4.550 -0.028 0.000 0.272 677 Y C 0.213 175.909 175.900 -0.340 0.000 1.169 677 Y CA -0.186 57.803 58.100 -0.186 0.000 1.285 677 Y CB -0.308 38.003 38.460 -0.249 0.000 1.078 677 Y HN 0.029 nan 8.280 nan 0.000 0.523 678 H N -1.727 117.401 119.070 0.097 0.000 2.616 678 H HA 0.397 4.936 4.556 -0.027 0.000 0.353 678 H C 1.122 176.469 175.328 0.032 0.000 1.170 678 H CA 0.173 56.251 56.048 0.050 0.000 1.212 678 H CB 1.735 31.505 29.762 0.013 0.000 1.653 678 H HN -0.013 nan 8.280 nan 0.000 0.537 679 T N -1.996 112.649 114.554 0.152 0.000 3.026 679 T HA 0.183 4.517 4.350 -0.027 0.000 0.245 679 T C 0.256 174.998 174.700 0.070 0.000 1.004 679 T CA -0.136 62.015 62.100 0.085 0.000 1.069 679 T CB 0.252 69.154 68.868 0.057 0.000 1.005 679 T HN 0.537 nan 8.240 nan 0.000 0.472 680 E N 1.283 121.523 120.200 0.068 0.000 2.207 680 E HA 0.599 4.933 4.350 -0.027 0.000 0.250 680 E C -1.157 175.439 176.600 -0.006 0.000 0.890 680 E CA -0.398 56.020 56.400 0.031 0.000 0.749 680 E CB 1.719 31.431 29.700 0.020 0.000 1.193 680 E HN 0.492 nan 8.360 nan 0.000 0.423 681 I N 1.786 122.344 120.570 -0.019 0.000 2.603 681 I HA 0.478 4.632 4.170 -0.027 0.000 0.300 681 I C -0.527 175.533 176.117 -0.094 0.000 1.017 681 I CA -1.352 59.876 61.300 -0.120 0.000 1.098 681 I CB 2.104 40.037 38.000 -0.110 0.000 1.279 681 I HN 0.163 nan 8.210 nan 0.000 0.437 682 V N 5.133 124.926 119.914 -0.202 0.000 2.501 682 V HA 0.290 4.394 4.120 -0.027 0.000 0.277 682 V C -0.778 175.211 176.094 -0.175 0.000 1.004 682 V CA -0.460 61.778 62.300 -0.104 0.000 0.862 682 V CB 0.898 32.676 31.823 -0.076 0.000 1.035 682 V HN 0.391 nan 8.190 nan 0.000 0.448 683 F N 3.549 123.459 119.950 -0.067 0.000 2.471 683 F HA 0.647 5.157 4.527 -0.028 0.000 0.365 683 F C 0.907 176.649 175.800 -0.096 0.000 1.095 683 F CA 0.182 58.137 58.000 -0.075 0.000 1.174 683 F CB 0.883 39.842 39.000 -0.069 0.000 1.105 683 F HN 0.546 nan 8.300 nan 0.000 0.535 684 A N 2.841 125.663 122.820 0.004 0.000 2.288 684 A HA 0.756 5.060 4.320 -0.027 0.000 0.328 684 A C 0.718 178.163 177.584 -0.231 0.000 1.123 684 A CA -1.040 50.939 52.037 -0.096 0.000 0.861 684 A CB 0.725 19.666 19.000 -0.098 0.000 1.272 684 A HN 0.714 nan 8.150 nan 0.000 0.490 685 R N -0.637 119.678 120.500 -0.307 0.000 3.484 685 R HA -0.151 4.173 4.340 -0.027 0.000 0.260 685 R C 0.222 176.356 176.300 -0.277 0.000 1.053 685 R CA 1.190 57.042 56.100 -0.413 0.000 0.703 685 R CB -2.469 27.315 30.300 -0.860 0.000 1.089 685 R HN 1.229 nan 8.270 nan 0.000 0.459 686 T N -2.294 112.161 114.554 -0.165 0.000 2.889 686 T HA 0.569 4.902 4.350 -0.027 0.000 0.291 686 T C 0.471 175.108 174.700 -0.105 0.000 0.995 686 T CA -0.221 61.820 62.100 -0.099 0.000 1.092 686 T CB 1.645 70.478 68.868 -0.057 0.000 0.954 686 T HN 0.346 nan 8.240 nan 0.000 0.506 687 S N 2.586 118.236 115.700 -0.083 0.000 2.592 687 S HA 0.306 4.759 4.470 -0.027 0.000 0.271 687 S C -1.771 172.777 174.600 -0.086 0.000 1.326 687 S CA -1.256 56.893 58.200 -0.085 0.000 1.024 687 S CB 0.653 63.816 63.200 -0.062 0.000 0.921 687 S HN 0.486 nan 8.310 nan 0.000 0.527 688 P HA -0.222 nan 4.420 nan 0.000 0.219 688 P C 1.282 178.536 177.300 -0.078 0.000 1.161 688 P CA 1.595 64.645 63.100 -0.083 0.000 0.909 688 P CB -0.082 31.573 31.700 -0.075 0.000 0.793 689 Q N -0.925 118.834 119.800 -0.068 0.000 2.234 689 Q HA -0.175 4.149 4.340 -0.027 0.000 0.206 689 Q C 2.241 178.195 176.000 -0.076 0.000 0.980 689 Q CA 1.385 57.151 55.803 -0.063 0.000 0.869 689 Q CB -0.761 27.949 28.738 -0.047 0.000 0.912 689 Q HN 0.488 nan 8.270 nan 0.000 0.436 690 Q N 0.273 120.023 119.800 -0.084 0.000 2.083 690 Q HA -0.079 4.244 4.340 -0.027 0.000 0.198 690 Q C 1.782 177.685 176.000 -0.161 0.000 0.969 690 Q CA 0.815 56.553 55.803 -0.109 0.000 0.838 690 Q CB -0.056 28.629 28.738 -0.089 0.000 0.900 690 Q HN 0.350 nan 8.270 nan 0.000 0.436 691 K N 0.794 121.108 120.400 -0.144 0.000 2.032 691 K HA -0.248 4.055 4.320 -0.027 0.000 0.218 691 K C 2.141 178.651 176.600 -0.150 0.000 1.054 691 K CA 1.438 57.633 56.287 -0.153 0.000 0.941 691 K CB -0.619 31.815 32.500 -0.110 0.000 0.720 691 K HN 0.095 nan 8.250 nan 0.000 0.449 692 L N 1.954 123.108 121.223 -0.115 0.000 1.976 692 L HA -0.243 4.080 4.340 -0.027 0.000 0.223 692 L C 2.198 178.999 176.870 -0.114 0.000 1.081 692 L CA 1.799 56.579 54.840 -0.100 0.000 0.784 692 L CB -0.657 41.355 42.059 -0.078 0.000 0.896 692 L HN 0.177 nan 8.230 nan 0.000 0.438 693 I N -0.549 119.949 120.570 -0.119 0.000 2.335 693 I HA -0.296 3.857 4.170 -0.027 0.000 0.251 693 I C 2.679 178.693 176.117 -0.171 0.000 1.129 693 I CA 1.363 62.591 61.300 -0.120 0.000 1.402 693 I CB -1.213 36.726 38.000 -0.102 0.000 1.069 693 I HN 0.352 nan 8.210 nan 0.000 0.424 694 I N 0.216 120.629 120.570 -0.262 0.000 2.113 694 I HA -0.267 3.887 4.170 -0.027 0.000 0.238 694 I C 2.650 178.628 176.117 -0.232 0.000 1.070 694 I CA 1.156 62.228 61.300 -0.381 0.000 1.332 694 I CB -0.509 37.129 38.000 -0.602 0.000 1.044 694 I HN -0.015 nan 8.210 nan 0.000 0.402 695 V N 0.844 120.650 119.914 -0.181 0.000 2.220 695 V HA -0.377 3.726 4.120 -0.027 0.000 0.250 695 V C 2.429 178.465 176.094 -0.097 0.000 1.056 695 V CA 2.306 64.535 62.300 -0.119 0.000 1.016 695 V CB -0.793 30.970 31.823 -0.099 0.000 0.639 695 V HN 0.439 nan 8.190 nan 0.000 0.446 696 E N -0.122 120.023 120.200 -0.092 0.000 2.086 696 E HA -0.281 4.053 4.350 -0.027 0.000 0.205 696 E C 2.257 178.816 176.600 -0.067 0.000 1.027 696 E CA 1.639 57.996 56.400 -0.072 0.000 0.830 696 E CB -0.646 29.013 29.700 -0.068 0.000 0.751 696 E HN 0.669 nan 8.360 nan 0.000 0.456 697 G N 0.022 108.773 108.800 -0.081 0.000 2.422 697 G HA2 -0.291 3.652 3.960 -0.027 0.000 0.218 697 G HA3 -0.291 3.652 3.960 -0.027 0.000 0.218 697 G C 1.659 176.527 174.900 -0.054 0.000 1.146 697 G CA 1.005 46.066 45.100 -0.065 0.000 0.769 697 G HN 0.338 nan 8.290 nan 0.000 0.547 698 C N -0.043 119.220 119.300 -0.063 0.000 2.446 698 C HA 0.002 4.446 4.460 -0.027 0.000 0.277 698 C C 2.918 177.883 174.990 -0.041 0.000 1.275 698 C CA 0.878 59.870 59.018 -0.045 0.000 1.727 698 C CB -0.848 26.865 27.740 -0.046 0.000 2.010 698 C HN 0.523 nan 8.230 nan 0.000 0.486 699 Q N 0.107 119.879 119.800 -0.047 0.000 2.170 699 Q HA -0.169 4.154 4.340 -0.027 0.000 0.203 699 Q C 2.295 178.274 176.000 -0.036 0.000 0.976 699 Q CA 1.054 56.832 55.803 -0.041 0.000 0.858 699 Q CB -0.232 28.479 28.738 -0.044 0.000 0.907 699 Q HN 0.587 nan 8.270 nan 0.000 0.433 700 R N 0.298 120.776 120.500 -0.037 0.000 2.241 700 R HA -0.131 4.192 4.340 -0.027 0.000 0.224 700 R C 1.810 178.093 176.300 -0.029 0.000 1.101 700 R CA 0.912 56.993 56.100 -0.031 0.000 0.995 700 R CB 0.258 30.539 30.300 -0.032 0.000 0.870 700 R HN 0.251 nan 8.270 nan 0.000 0.463 701 Q N -1.515 118.266 119.800 -0.031 0.000 2.331 701 Q HA 0.082 4.406 4.340 -0.027 0.000 0.203 701 Q C 1.237 177.222 176.000 -0.025 0.000 0.944 701 Q CA 1.221 57.006 55.803 -0.029 0.000 0.892 701 Q CB 0.835 29.556 28.738 -0.030 0.000 0.983 701 Q HN 0.553 nan 8.270 nan 0.000 0.482 702 G N 0.041 108.825 108.800 -0.027 0.000 2.192 702 G HA2 -0.150 3.794 3.960 -0.027 0.000 0.193 702 G HA3 -0.150 3.794 3.960 -0.027 0.000 0.193 702 G C 0.291 175.173 174.900 -0.030 0.000 0.999 702 G CA -0.024 45.060 45.100 -0.026 0.000 0.659 702 G HN 0.576 nan 8.290 nan 0.000 0.503 703 A N 0.398 123.199 122.820 -0.031 0.000 2.313 703 A HA 0.723 5.026 4.320 -0.027 0.000 0.261 703 A C 0.365 177.926 177.584 -0.038 0.000 1.090 703 A CA -0.129 51.888 52.037 -0.033 0.000 0.807 703 A CB 0.335 19.317 19.000 -0.030 0.000 1.055 703 A HN 0.620 nan 8.150 nan 0.000 0.492 704 I N 2.095 122.640 120.570 -0.042 0.000 2.307 704 I HA 0.336 4.489 4.170 -0.027 0.000 0.289 704 I C -0.030 176.060 176.117 -0.046 0.000 1.021 704 I CA -0.413 60.860 61.300 -0.046 0.000 1.224 704 I CB 0.160 38.128 38.000 -0.053 0.000 1.376 704 I HN 0.383 nan 8.210 nan 0.000 0.470 705 V N 3.161 123.047 119.914 -0.046 0.000 2.555 705 V HA 0.976 5.080 4.120 -0.027 0.000 0.302 705 V C 0.071 176.136 176.094 -0.048 0.000 1.038 705 V CA -0.799 61.474 62.300 -0.044 0.000 0.887 705 V CB 1.456 33.252 31.823 -0.045 0.000 0.991 705 V HN 0.766 nan 8.190 nan 0.000 0.434 706 A N 3.948 126.740 122.820 -0.047 0.000 2.330 706 A HA 0.866 5.170 4.320 -0.027 0.000 0.327 706 A C -0.607 176.950 177.584 -0.044 0.000 1.155 706 A CA -0.707 51.299 52.037 -0.052 0.000 0.803 706 A CB 1.713 20.675 19.000 -0.063 0.000 1.208 706 A HN 1.099 nan 8.150 nan 0.000 0.477 707 V N 2.286 122.172 119.914 -0.047 0.000 2.435 707 V HA 0.623 4.727 4.120 -0.027 0.000 0.290 707 V C 0.213 176.288 176.094 -0.032 0.000 1.030 707 V CA 0.036 62.313 62.300 -0.038 0.000 0.881 707 V CB 1.845 33.640 31.823 -0.047 0.000 0.983 707 V HN 1.047 nan 8.190 nan 0.000 0.445 708 T N 1.323 115.874 114.554 -0.005 0.000 2.991 708 T HA 0.755 5.088 4.350 -0.027 0.000 0.347 708 T C -0.046 174.673 174.700 0.032 0.000 1.122 708 T CA -0.318 61.792 62.100 0.017 0.000 1.062 708 T CB 0.963 69.869 68.868 0.063 0.000 1.043 708 T HN 0.886 nan 8.240 nan 0.000 0.491 709 G N 1.543 110.342 108.800 -0.002 0.000 2.816 709 G HA2 0.651 4.594 3.960 -0.027 0.000 0.288 709 G HA3 0.651 4.594 3.960 -0.027 0.000 0.288 709 G C -0.197 174.688 174.900 -0.025 0.000 1.334 709 G CA -0.601 44.491 45.100 -0.014 0.000 0.978 709 G HN 0.531 nan 8.290 nan 0.000 0.493 710 D N -1.457 118.921 120.400 -0.037 0.000 2.526 710 D HA 0.126 4.749 4.640 -0.027 0.000 0.293 710 D C 1.267 177.531 176.300 -0.060 0.000 1.081 710 D CA 0.531 54.502 54.000 -0.048 0.000 0.924 710 D CB -0.340 40.433 40.800 -0.045 0.000 1.498 710 D HN 0.691 nan 8.370 nan 0.000 0.497 711 G N 1.679 110.441 108.800 -0.063 0.000 2.483 711 G HA2 0.311 4.255 3.960 -0.027 0.000 0.248 711 G HA3 0.311 4.255 3.960 -0.027 0.000 0.248 711 G C 1.258 176.114 174.900 -0.073 0.000 1.248 711 G CA 0.115 45.170 45.100 -0.074 0.000 0.838 711 G HN 0.268 nan 8.290 nan 0.000 0.566 712 V N 1.254 121.122 119.914 -0.077 0.000 2.688 712 V HA -0.155 3.949 4.120 -0.027 0.000 0.256 712 V C 1.875 177.931 176.094 -0.064 0.000 1.084 712 V CA 1.940 64.201 62.300 -0.065 0.000 1.103 712 V CB -0.615 31.171 31.823 -0.061 0.000 0.688 712 V HN 0.774 nan 8.190 nan 0.000 0.480 713 N N -0.018 118.635 118.700 -0.078 0.000 2.551 713 N HA -0.068 4.655 4.740 -0.027 0.000 0.199 713 N C 0.513 175.978 175.510 -0.075 0.000 1.277 713 N CA 1.060 54.062 53.050 -0.081 0.000 0.870 713 N CB -0.138 38.288 38.487 -0.101 0.000 1.028 713 N HN 0.626 nan 8.380 nan 0.000 0.452 714 D N -0.433 119.926 120.400 -0.067 0.000 2.473 714 D HA 0.065 4.688 4.640 -0.027 0.000 0.230 714 D C 1.445 177.710 176.300 -0.058 0.000 1.097 714 D CA 0.188 54.150 54.000 -0.063 0.000 0.861 714 D CB 0.141 40.906 40.800 -0.058 0.000 1.114 714 D HN 0.109 nan 8.370 nan 0.000 0.500 715 S N 2.170 117.838 115.700 -0.055 0.000 2.389 715 S HA -0.170 4.284 4.470 -0.027 0.000 0.229 715 S C -0.827 173.742 174.600 -0.052 0.000 1.048 715 S CA 1.366 59.536 58.200 -0.050 0.000 1.117 715 S CB -1.648 61.526 63.200 -0.043 0.000 1.020 715 S HN 0.225 nan 8.310 nan 0.000 0.430 716 P HA 0.011 nan 4.420 nan 0.000 0.220 716 P C 1.161 178.426 177.300 -0.060 0.000 1.144 716 P CA 1.463 64.532 63.100 -0.053 0.000 0.800 716 P CB -0.155 31.513 31.700 -0.054 0.000 0.772 717 A N -0.458 122.323 122.820 -0.064 0.000 1.943 717 A HA -0.041 4.262 4.320 -0.027 0.000 0.213 717 A C 2.204 179.750 177.584 -0.063 0.000 1.181 717 A CA 1.426 53.421 52.037 -0.070 0.000 0.653 717 A CB -1.072 17.881 19.000 -0.077 0.000 0.833 717 A HN 0.279 nan 8.150 nan 0.000 0.451 718 S N -0.428 115.238 115.700 -0.058 0.000 2.470 718 S HA 0.021 4.474 4.470 -0.027 0.000 0.225 718 S C 1.769 176.336 174.600 -0.055 0.000 1.006 718 S CA 0.998 59.165 58.200 -0.055 0.000 0.934 718 S CB -0.055 63.114 63.200 -0.052 0.000 0.778 718 S HN 0.467 nan 8.310 nan 0.000 0.517 719 K N 1.398 121.766 120.400 -0.053 0.000 2.314 719 K HA 0.141 4.444 4.320 -0.027 0.000 0.198 719 K C 1.741 178.310 176.600 -0.052 0.000 1.045 719 K CA 0.679 56.935 56.287 -0.052 0.000 0.988 719 K CB -0.009 32.462 32.500 -0.048 0.000 0.783 719 K HN 0.240 nan 8.250 nan 0.000 0.484 720 K N 0.828 121.195 120.400 -0.054 0.000 2.426 720 K HA 0.141 4.445 4.320 -0.027 0.000 0.193 720 K C -0.122 176.445 176.600 -0.055 0.000 1.028 720 K CA 0.084 56.338 56.287 -0.054 0.000 1.047 720 K CB 0.190 32.656 32.500 -0.056 0.000 0.821 720 K HN 0.109 nan 8.250 nan 0.000 0.513 721 A N 1.017 123.804 122.820 -0.056 0.000 2.363 721 A HA 0.160 4.464 4.320 -0.027 0.000 0.270 721 A C 0.341 177.893 177.584 -0.054 0.000 1.121 721 A CA -0.388 51.616 52.037 -0.056 0.000 0.800 721 A CB 0.286 19.253 19.000 -0.056 0.000 1.052 721 A HN 0.344 nan 8.150 nan 0.000 0.493 722 D N 0.447 120.816 120.400 -0.052 0.000 2.192 722 D HA -0.180 4.444 4.640 -0.027 0.000 0.189 722 D C 0.634 176.902 176.300 -0.053 0.000 1.007 722 D CA 2.159 56.128 54.000 -0.051 0.000 0.859 722 D CB 0.031 40.802 40.800 -0.049 0.000 0.936 722 D HN 0.581 nan 8.370 nan 0.000 0.447 723 I N -0.292 120.245 120.570 -0.055 0.000 2.534 723 I HA 0.448 4.602 4.170 -0.027 0.000 0.288 723 I C -0.526 175.555 176.117 -0.061 0.000 1.077 723 I CA -0.612 60.653 61.300 -0.058 0.000 1.051 723 I CB 1.989 39.953 38.000 -0.061 0.000 1.234 723 I HN -0.085 nan 8.210 nan 0.000 0.425 724 G N 5.998 114.762 108.800 -0.061 0.000 2.437 724 G HA2 0.645 4.589 3.960 -0.027 0.000 0.319 724 G HA3 0.645 4.589 3.960 -0.027 0.000 0.319 724 G C -1.430 173.431 174.900 -0.065 0.000 1.158 724 G CA -0.449 44.615 45.100 -0.060 0.000 0.899 724 G HN 0.455 nan 8.290 nan 0.000 0.502 725 V N 0.235 120.111 119.914 -0.063 0.000 2.668 725 V HA 0.687 4.790 4.120 -0.027 0.000 0.304 725 V C 0.172 176.234 176.094 -0.053 0.000 1.071 725 V CA -0.672 61.586 62.300 -0.069 0.000 0.894 725 V CB 1.290 33.056 31.823 -0.094 0.000 1.008 725 V HN 1.210 nan 8.190 nan 0.000 0.425 726 A N 5.775 128.561 122.820 -0.058 0.000 2.299 726 A HA 0.966 5.269 4.320 -0.027 0.000 0.332 726 A C -0.434 177.122 177.584 -0.047 0.000 1.131 726 A CA -0.794 51.211 52.037 -0.054 0.000 0.844 726 A CB 1.253 20.210 19.000 -0.072 0.000 1.251 726 A HN 0.680 nan 8.150 nan 0.000 0.486 727 M N 2.272 121.846 119.600 -0.044 0.000 2.077 727 M HA 0.227 4.690 4.480 -0.027 0.000 0.348 727 M C 1.396 177.642 176.300 -0.091 0.000 1.252 727 M CA -0.327 54.948 55.300 -0.041 0.000 1.096 727 M CB -0.067 32.518 32.600 -0.025 0.000 1.568 727 M HN 0.940 nan 8.290 nan 0.000 0.456 728 G N 4.323 113.057 108.800 -0.109 0.000 2.511 728 G HA2 -0.150 3.794 3.960 -0.027 0.000 0.216 728 G HA3 -0.150 3.794 3.960 -0.027 0.000 0.216 728 G C 1.365 176.120 174.900 -0.240 0.000 1.218 728 G CA 0.786 45.764 45.100 -0.204 0.000 0.788 728 G HN 0.688 nan 8.290 nan 0.000 0.560 729 I N 1.152 121.636 120.570 -0.143 0.000 2.130 729 I HA -0.046 4.107 4.170 -0.027 0.000 0.234 729 I C 3.210 179.272 176.117 -0.092 0.000 1.067 729 I CA 1.236 62.471 61.300 -0.107 0.000 1.339 729 I CB -0.493 37.487 38.000 -0.033 0.000 1.073 729 I HN 0.225 nan 8.210 nan 0.000 0.405 730 A N 0.956 123.737 122.820 -0.066 0.000 2.119 730 A HA 0.159 4.463 4.320 -0.027 0.000 0.217 730 A C 1.543 179.086 177.584 -0.069 0.000 1.153 730 A CA 0.753 52.756 52.037 -0.057 0.000 0.692 730 A CB -1.224 17.750 19.000 -0.043 0.000 0.799 730 A HN 0.443 nan 8.150 nan 0.000 0.458 731 G N 0.728 109.478 108.800 -0.084 0.000 2.441 731 G HA2 0.386 4.330 3.960 -0.027 0.000 0.243 731 G HA3 0.386 4.330 3.960 -0.027 0.000 0.243 731 G C 0.438 175.283 174.900 -0.091 0.000 1.281 731 G CA 0.375 45.424 45.100 -0.085 0.000 0.854 731 G HN 0.566 nan 8.290 nan 0.000 0.560 732 S N 1.226 116.878 115.700 -0.080 0.000 2.608 732 S HA 0.112 4.566 4.470 -0.027 0.000 0.261 732 S C 1.011 175.567 174.600 -0.073 0.000 1.314 732 S CA 0.099 58.254 58.200 -0.075 0.000 0.992 732 S CB 1.396 64.551 63.200 -0.074 0.000 0.935 732 S HN 0.642 nan 8.310 nan 0.000 0.564 733 D N 0.374 120.739 120.400 -0.058 0.000 2.088 733 D HA -0.141 4.483 4.640 -0.027 0.000 0.191 733 D C 1.752 178.024 176.300 -0.047 0.000 0.992 733 D CA 1.494 55.464 54.000 -0.050 0.000 0.831 733 D CB -0.623 40.161 40.800 -0.026 0.000 0.973 733 D HN 0.313 nan 8.370 nan 0.000 0.447 734 V N 0.640 120.535 119.914 -0.033 0.000 2.568 734 V HA -0.231 3.873 4.120 -0.027 0.000 0.253 734 V C 2.478 178.547 176.094 -0.041 0.000 1.072 734 V CA 1.899 64.182 62.300 -0.028 0.000 1.084 734 V CB -0.724 31.092 31.823 -0.012 0.000 0.676 734 V HN 0.311 nan 8.190 nan 0.000 0.469 735 S N -0.151 115.519 115.700 -0.050 0.000 2.371 735 S HA -0.190 4.263 4.470 -0.027 0.000 0.224 735 S C 1.923 176.486 174.600 -0.061 0.000 1.029 735 S CA 1.020 59.187 58.200 -0.055 0.000 0.978 735 S CB -0.364 62.801 63.200 -0.059 0.000 0.833 735 S HN 0.564 nan 8.310 nan 0.000 0.466 736 K N 0.760 121.117 120.400 -0.071 0.000 2.074 736 K HA -0.117 4.186 4.320 -0.027 0.000 0.209 736 K C 2.628 179.187 176.600 -0.067 0.000 1.048 736 K CA 1.520 57.759 56.287 -0.080 0.000 0.926 736 K CB -0.163 32.277 32.500 -0.100 0.000 0.713 736 K HN 0.332 nan 8.250 nan 0.000 0.444 737 Q N -0.103 119.663 119.800 -0.056 0.000 1.990 737 Q HA -0.086 4.238 4.340 -0.027 0.000 0.200 737 Q C 2.106 178.076 176.000 -0.049 0.000 0.980 737 Q CA 1.663 57.437 55.803 -0.049 0.000 0.832 737 Q CB -0.476 28.239 28.738 -0.038 0.000 0.897 737 Q HN 0.316 nan 8.270 nan 0.000 0.427 738 A N 0.678 123.470 122.820 -0.047 0.000 2.248 738 A HA 0.221 4.525 4.320 -0.027 0.000 0.210 738 A C 1.002 178.554 177.584 -0.053 0.000 1.174 738 A CA 0.740 52.749 52.037 -0.048 0.000 0.750 738 A CB -0.423 18.550 19.000 -0.045 0.000 0.780 738 A HN 0.265 nan 8.150 nan 0.000 0.478 739 A N -0.551 122.235 122.820 -0.057 0.000 2.302 739 A HA 0.501 4.805 4.320 -0.027 0.000 0.285 739 A C 0.313 177.860 177.584 -0.062 0.000 1.105 739 A CA -0.269 51.732 52.037 -0.060 0.000 0.816 739 A CB 0.440 19.402 19.000 -0.064 0.000 1.067 739 A HN 0.219 nan 8.150 nan 0.000 0.489 740 D N 0.238 120.600 120.400 -0.063 0.000 2.366 740 D HA 0.173 4.797 4.640 -0.027 0.000 0.205 740 D C 0.021 176.281 176.300 -0.067 0.000 1.022 740 D CA 0.966 54.928 54.000 -0.064 0.000 0.868 740 D CB 0.301 41.064 40.800 -0.061 0.000 0.953 740 D HN 0.503 nan 8.370 nan 0.000 0.514 741 M N 0.632 120.190 119.600 -0.069 0.000 2.550 741 M HA 0.333 4.796 4.480 -0.027 0.000 0.292 741 M C -1.804 174.452 176.300 -0.073 0.000 1.221 741 M CA -0.707 54.550 55.300 -0.072 0.000 0.873 741 M CB 3.161 35.715 32.600 -0.077 0.000 1.727 741 M HN -0.352 nan 8.290 nan 0.000 0.459 742 I N 4.632 125.159 120.570 -0.070 0.000 2.439 742 I HA 0.350 4.504 4.170 -0.027 0.000 0.283 742 I C -0.720 175.360 176.117 -0.062 0.000 1.023 742 I CA -0.462 60.794 61.300 -0.073 0.000 1.100 742 I CB 1.307 39.262 38.000 -0.075 0.000 1.238 742 I HN 0.635 nan 8.210 nan 0.000 0.445 743 L N 6.309 127.495 121.223 -0.061 0.000 2.315 743 L HA 0.300 4.623 4.340 -0.027 0.000 0.283 743 L C 1.307 178.156 176.870 -0.035 0.000 1.089 743 L CA -0.264 54.550 54.840 -0.043 0.000 0.833 743 L CB 0.944 42.983 42.059 -0.032 0.000 1.170 743 L HN 0.553 nan 8.230 nan 0.000 0.442 744 L N 2.315 123.533 121.223 -0.008 0.000 2.341 744 L HA -0.067 4.257 4.340 -0.027 0.000 0.214 744 L C 1.279 178.174 176.870 0.041 0.000 1.115 744 L CA 0.581 55.439 54.840 0.029 0.000 0.820 744 L CB -0.208 41.903 42.059 0.088 0.000 0.944 744 L HN 0.761 nan 8.230 nan 0.000 0.452 745 D N -3.612 116.803 120.400 0.026 0.000 2.500 745 D HA -0.018 4.606 4.640 -0.027 0.000 0.217 745 D C 0.244 176.558 176.300 0.024 0.000 1.159 745 D CA -0.013 54.004 54.000 0.029 0.000 0.828 745 D CB 0.238 41.054 40.800 0.027 0.000 1.039 745 D HN -0.042 nan 8.370 nan 0.000 0.512 746 D N 0.279 120.693 120.400 0.023 0.000 3.028 746 D HA -0.221 4.403 4.640 -0.027 0.000 0.207 746 D C -0.176 176.179 176.300 0.092 0.000 1.100 746 D CA 0.636 54.666 54.000 0.049 0.000 0.995 746 D CB -2.302 38.518 40.800 0.033 0.000 1.108 746 D HN 0.595 nan 8.370 nan 0.000 0.421 747 N N 0.093 118.832 118.700 0.065 0.000 2.399 747 N HA -0.025 4.698 4.740 -0.027 0.000 0.284 747 N C 1.192 176.770 175.510 0.115 0.000 1.283 747 N CA -0.184 52.914 53.050 0.079 0.000 0.972 747 N CB -0.060 38.449 38.487 0.038 0.000 1.328 747 N HN -0.029 nan 8.380 nan 0.000 0.486 748 F N 3.605 123.540 119.950 -0.026 0.000 2.120 748 F HA -0.224 4.286 4.527 -0.028 0.000 0.300 748 F C 2.420 178.205 175.800 -0.025 0.000 1.095 748 F CA 1.620 59.605 58.000 -0.027 0.000 1.249 748 F CB -0.447 38.537 39.000 -0.026 0.000 0.995 748 F HN 0.660 nan 8.300 nan 0.000 0.480 749 A N -1.328 121.570 122.820 0.131 0.000 2.139 749 A HA -0.224 4.080 4.320 -0.027 0.000 0.221 749 A C 2.378 179.950 177.584 -0.021 0.000 1.159 749 A CA 1.899 53.965 52.037 0.048 0.000 0.662 749 A CB -1.079 17.949 19.000 0.047 0.000 0.796 749 A HN 0.366 nan 8.150 nan 0.000 0.463 750 S N -0.406 115.269 115.700 -0.043 0.000 2.419 750 S HA -0.109 4.345 4.470 -0.027 0.000 0.233 750 S C 1.760 176.293 174.600 -0.113 0.000 1.016 750 S CA 1.138 59.297 58.200 -0.069 0.000 0.974 750 S CB -0.368 62.794 63.200 -0.064 0.000 0.786 750 S HN 0.506 nan 8.310 nan 0.000 0.492 751 I N 1.384 121.841 120.570 -0.188 0.000 2.127 751 I HA -0.140 4.014 4.170 -0.027 0.000 0.241 751 I C 2.344 178.371 176.117 -0.150 0.000 1.075 751 I CA 1.006 62.160 61.300 -0.242 0.000 1.334 751 I CB -1.761 35.971 38.000 -0.447 0.000 1.040 751 I HN 0.125 nan 8.210 nan 0.000 0.405 752 V N 0.583 120.431 119.914 -0.109 0.000 2.231 752 V HA -0.338 3.765 4.120 -0.027 0.000 0.248 752 V C 2.530 178.589 176.094 -0.059 0.000 1.054 752 V CA 2.568 64.829 62.300 -0.064 0.000 1.015 752 V CB -1.397 30.407 31.823 -0.032 0.000 0.638 752 V HN 0.422 nan 8.190 nan 0.000 0.444 753 T N 0.231 114.752 114.554 -0.054 0.000 2.760 753 T HA -0.199 4.134 4.350 -0.027 0.000 0.269 753 T C 1.783 176.448 174.700 -0.058 0.000 1.047 753 T CA 1.665 63.735 62.100 -0.050 0.000 1.139 753 T CB -0.673 68.168 68.868 -0.046 0.000 0.855 753 T HN 0.691 nan 8.240 nan 0.000 0.471 754 G N 0.518 109.273 108.800 -0.075 0.000 2.414 754 G HA2 -0.151 3.792 3.960 -0.027 0.000 0.215 754 G HA3 -0.151 3.792 3.960 -0.027 0.000 0.215 754 G C 1.733 176.592 174.900 -0.068 0.000 1.188 754 G CA 0.835 45.888 45.100 -0.078 0.000 0.783 754 G HN 0.468 nan 8.290 nan 0.000 0.537 755 V N 0.485 120.355 119.914 -0.073 0.000 2.407 755 V HA -0.110 3.994 4.120 -0.027 0.000 0.248 755 V C 2.399 178.463 176.094 -0.051 0.000 1.055 755 V CA 2.832 65.093 62.300 -0.065 0.000 1.049 755 V CB -0.188 31.594 31.823 -0.069 0.000 0.662 755 V HN 0.592 nan 8.190 nan 0.000 0.455 756 E N -0.323 119.849 120.200 -0.045 0.000 2.012 756 E HA -0.263 4.071 4.350 -0.027 0.000 0.197 756 E C 2.250 178.832 176.600 -0.029 0.000 1.007 756 E CA 1.882 58.261 56.400 -0.034 0.000 0.816 756 E CB -0.236 29.444 29.700 -0.032 0.000 0.762 756 E HN 0.686 nan 8.360 nan 0.000 0.451 757 E N -0.232 119.947 120.200 -0.035 0.000 2.097 757 E HA -0.197 4.137 4.350 -0.027 0.000 0.196 757 E C 2.081 178.671 176.600 -0.016 0.000 1.000 757 E CA 1.173 57.553 56.400 -0.034 0.000 0.804 757 E CB -0.623 29.049 29.700 -0.046 0.000 0.740 757 E HN 0.491 nan 8.360 nan 0.000 0.454 758 G N 1.238 110.026 108.800 -0.020 0.000 2.440 758 G HA2 -0.295 3.649 3.960 -0.027 0.000 0.218 758 G HA3 -0.295 3.649 3.960 -0.027 0.000 0.218 758 G C 1.729 176.645 174.900 0.028 0.000 1.154 758 G CA 0.776 45.874 45.100 -0.003 0.000 0.767 758 G HN 0.205 nan 8.290 nan 0.000 0.552 759 R N -0.797 119.702 120.500 -0.001 0.000 2.115 759 R HA 0.120 4.444 4.340 -0.027 0.000 0.226 759 R C 2.423 178.769 176.300 0.077 0.000 1.100 759 R CA 0.659 56.763 56.100 0.006 0.000 0.980 759 R CB -0.367 29.909 30.300 -0.040 0.000 0.875 759 R HN 0.353 nan 8.270 nan 0.000 0.445 760 L N 1.085 122.334 121.223 0.043 0.000 2.027 760 L HA -0.082 4.242 4.340 -0.027 0.000 0.206 760 L C 1.999 178.902 176.870 0.056 0.000 1.074 760 L CA 1.553 56.416 54.840 0.039 0.000 0.745 760 L CB -0.368 41.692 42.059 0.001 0.000 0.898 760 L HN 0.147 nan 8.230 nan 0.000 0.433 761 I N -1.283 119.316 120.570 0.048 0.000 2.567 761 I HA -0.292 3.861 4.170 -0.027 0.000 0.257 761 I C 2.264 178.422 176.117 0.068 0.000 1.184 761 I CA 0.966 62.288 61.300 0.037 0.000 1.451 761 I CB -0.085 37.926 38.000 0.018 0.000 1.089 761 I HN 0.390 nan 8.210 nan 0.000 0.441 762 F N 2.020 121.954 119.950 -0.026 0.000 2.031 762 F HA -0.298 4.213 4.527 -0.027 0.000 0.295 762 F C 2.047 177.836 175.800 -0.019 0.000 1.133 762 F CA 2.245 60.232 58.000 -0.021 0.000 1.188 762 F CB -0.467 38.520 39.000 -0.022 0.000 0.974 762 F HN 0.089 nan 8.300 nan 0.000 0.473 763 D N 0.376 120.881 120.400 0.176 0.000 2.106 763 D HA -0.214 4.409 4.640 -0.027 0.000 0.191 763 D C 1.873 178.128 176.300 -0.075 0.000 0.997 763 D CA 1.630 55.649 54.000 0.031 0.000 0.834 763 D CB -0.703 40.146 40.800 0.083 0.000 0.956 763 D HN 0.242 nan 8.370 nan 0.000 0.448 764 N N 0.052 118.731 118.700 -0.035 0.000 2.348 764 N HA -0.103 4.621 4.740 -0.027 0.000 0.185 764 N C 1.833 177.307 175.510 -0.059 0.000 1.019 764 N CA 0.224 53.251 53.050 -0.038 0.000 0.880 764 N CB -0.249 38.234 38.487 -0.006 0.000 0.965 764 N HN 0.272 nan 8.380 nan 0.000 0.437 765 L N 0.705 121.864 121.223 -0.107 0.000 2.027 765 L HA -0.126 4.197 4.340 -0.027 0.000 0.206 765 L C 2.156 178.945 176.870 -0.135 0.000 1.074 765 L CA 1.123 55.885 54.840 -0.130 0.000 0.745 765 L CB -0.192 41.748 42.059 -0.197 0.000 0.898 765 L HN 0.140 nan 8.230 nan 0.000 0.433 766 K N 0.308 120.591 120.400 -0.194 0.000 2.000 766 K HA -0.264 4.040 4.320 -0.027 0.000 0.218 766 K C 2.035 178.635 176.600 -0.000 0.000 1.053 766 K CA 1.872 58.096 56.287 -0.104 0.000 0.946 766 K CB -0.220 32.212 32.500 -0.114 0.000 0.723 766 K HN 0.241 nan 8.250 nan 0.000 0.446 767 K N 0.370 120.750 120.400 -0.034 0.000 2.173 767 K HA -0.153 4.151 4.320 -0.027 0.000 0.207 767 K C 2.305 178.947 176.600 0.069 0.000 1.046 767 K CA 1.545 57.830 56.287 -0.004 0.000 0.929 767 K CB -0.136 32.328 32.500 -0.062 0.000 0.720 767 K HN 0.037 nan 8.250 nan 0.000 0.453 768 S N 0.515 116.237 115.700 0.037 0.000 2.395 768 S HA 0.017 4.471 4.470 -0.027 0.000 0.225 768 S C 1.851 176.518 174.600 0.111 0.000 1.027 768 S CA 0.476 58.715 58.200 0.065 0.000 0.965 768 S CB 0.013 63.220 63.200 0.012 0.000 0.812 768 S HN 0.151 nan 8.310 nan 0.000 0.482 769 I N 2.249 122.858 120.570 0.065 0.000 2.208 769 I HA -0.172 3.981 4.170 -0.027 0.000 0.245 769 I C 2.655 178.863 176.117 0.152 0.000 1.097 769 I CA 1.260 62.609 61.300 0.081 0.000 1.363 769 I CB -1.851 36.175 38.000 0.043 0.000 1.051 769 I HN 0.200 nan 8.210 nan 0.000 0.413 770 A N 0.901 123.829 122.820 0.180 0.000 1.837 770 A HA -0.324 3.979 4.320 -0.027 0.000 0.216 770 A C 2.386 180.093 177.584 0.204 0.000 1.210 770 A CA 2.053 54.222 52.037 0.221 0.000 0.632 770 A CB -1.594 17.627 19.000 0.368 0.000 0.843 770 A HN 0.450 nan 8.150 nan 0.000 0.448 771 Y N 0.993 121.353 120.300 0.100 0.000 2.029 771 Y HA -0.335 4.198 4.550 -0.027 0.000 0.269 771 Y C 2.755 178.687 175.900 0.052 0.000 1.201 771 Y CA 2.894 61.034 58.100 0.068 0.000 1.115 771 Y CB -0.930 37.557 38.460 0.045 0.000 0.945 771 Y HN 0.347 nan 8.280 nan 0.000 0.497 772 T N 1.118 115.799 114.554 0.211 0.000 2.652 772 T HA -0.212 4.121 4.350 -0.027 0.000 0.267 772 T C 1.998 176.711 174.700 0.021 0.000 1.039 772 T CA 1.905 64.064 62.100 0.098 0.000 1.153 772 T CB -0.628 68.321 68.868 0.135 0.000 0.863 772 T HN 0.346 nan 8.240 nan 0.000 0.428 773 L N 0.778 122.062 121.223 0.101 0.000 2.191 773 L HA -0.100 4.223 4.340 -0.027 0.000 0.212 773 L C 2.829 179.754 176.870 0.093 0.000 1.103 773 L CA 1.025 55.965 54.840 0.168 0.000 0.769 773 L CB -0.922 41.313 42.059 0.293 0.000 0.908 773 L HN 0.330 nan 8.230 nan 0.000 0.438 774 T N -0.906 113.660 114.554 0.020 0.000 2.788 774 T HA -0.189 4.144 4.350 -0.027 0.000 0.268 774 T C 2.080 176.684 174.700 -0.160 0.000 1.044 774 T CA 1.616 63.682 62.100 -0.058 0.000 1.139 774 T CB -0.258 68.566 68.868 -0.074 0.000 0.867 774 T HN 0.544 nan 8.240 nan 0.000 0.454 775 S N 1.772 117.347 115.700 -0.208 0.000 2.442 775 S HA -0.148 4.305 4.470 -0.027 0.000 0.236 775 S C 1.916 176.406 174.600 -0.184 0.000 1.007 775 S CA 1.075 59.138 58.200 -0.227 0.000 0.965 775 S CB -0.471 62.585 63.200 -0.241 0.000 0.773 775 S HN 0.306 nan 8.310 nan 0.000 0.504 776 N N 1.598 120.194 118.700 -0.173 0.000 2.135 776 N HA 0.097 4.821 4.740 -0.027 0.000 0.186 776 N C 1.570 176.913 175.510 -0.277 0.000 1.027 776 N CA 1.138 54.067 53.050 -0.202 0.000 0.849 776 N CB -0.458 37.929 38.487 -0.166 0.000 1.002 776 N HN 0.288 nan 8.380 nan 0.000 0.425 777 I N 1.748 122.098 120.570 -0.366 0.000 2.194 777 I HA -0.177 3.977 4.170 -0.027 0.000 0.246 777 I C -1.040 174.963 176.117 -0.190 0.000 1.093 777 I CA 1.318 62.419 61.300 -0.332 0.000 1.355 777 I CB -2.073 35.734 38.000 -0.322 0.000 1.046 777 I HN 0.159 nan 8.210 nan 0.000 0.413 778 P HA -0.033 nan 4.420 nan 0.000 0.249 778 P C 0.927 178.190 177.300 -0.062 0.000 1.241 778 P CA 0.887 63.923 63.100 -0.107 0.000 0.781 778 P CB -0.027 31.576 31.700 -0.160 0.000 1.088 779 E N -0.667 119.457 120.200 -0.127 0.000 2.340 779 E HA 0.086 4.420 4.350 -0.027 0.000 0.198 779 E C 1.834 178.330 176.600 -0.173 0.000 0.961 779 E CA 0.286 56.598 56.400 -0.147 0.000 0.905 779 E CB -0.012 29.596 29.700 -0.152 0.000 0.884 779 E HN 0.262 nan 8.360 nan 0.000 0.491 780 I N 1.100 121.572 120.570 -0.163 0.000 2.368 780 I HA -0.168 3.985 4.170 -0.027 0.000 0.238 780 I C 2.633 178.691 176.117 -0.098 0.000 1.076 780 I CA 1.303 62.510 61.300 -0.156 0.000 1.397 780 I CB -0.946 36.940 38.000 -0.190 0.000 1.141 780 I HN 0.057 nan 8.210 nan 0.000 0.430 781 T N -0.050 114.465 114.554 -0.065 0.000 2.684 781 T HA -0.178 4.155 4.350 -0.027 0.000 0.267 781 T C -0.558 174.219 174.700 0.129 0.000 1.032 781 T CA 1.487 63.614 62.100 0.045 0.000 1.155 781 T CB -2.438 66.523 68.868 0.156 0.000 0.857 781 T HN 0.196 nan 8.240 nan 0.000 0.457 782 P HA 0.003 nan 4.420 nan 0.000 0.222 782 P C 0.926 178.216 177.300 -0.017 0.000 1.142 782 P CA 0.767 63.833 63.100 -0.056 0.000 0.788 782 P CB -0.256 31.143 31.700 -0.501 0.000 0.767 783 F N -1.585 118.259 119.950 -0.177 0.000 2.720 783 F HA 0.217 4.727 4.527 -0.027 0.000 0.301 783 F C 1.685 177.414 175.800 -0.119 0.000 1.103 783 F CA 0.230 58.112 58.000 -0.197 0.000 1.291 783 F CB -0.029 38.814 39.000 -0.262 0.000 1.086 783 F HN -0.267 nan 8.300 nan 0.000 0.592 784 L N 0.001 121.205 121.223 -0.032 0.000 2.115 784 L HA -0.063 4.260 4.340 -0.027 0.000 0.200 784 L C 2.394 179.279 176.870 0.024 0.000 1.094 784 L CA 1.312 56.114 54.840 -0.062 0.000 0.769 784 L CB -0.868 41.119 42.059 -0.119 0.000 0.931 784 L HN 0.062 nan 8.230 nan 0.000 0.455 785 I N -2.373 118.217 120.570 0.032 0.000 2.423 785 I HA -0.306 3.848 4.170 -0.027 0.000 0.254 785 I C 2.575 178.643 176.117 -0.082 0.000 1.151 785 I CA 1.350 62.630 61.300 -0.033 0.000 1.421 785 I CB -0.823 37.109 38.000 -0.114 0.000 1.079 785 I HN 0.119 nan 8.210 nan 0.000 0.431 786 F N 2.662 122.479 119.950 -0.222 0.000 2.184 786 F HA -0.221 4.289 4.527 -0.027 0.000 0.301 786 F C 1.937 177.581 175.800 -0.260 0.000 1.076 786 F CA 1.830 59.668 58.000 -0.270 0.000 1.295 786 F CB -0.222 38.547 39.000 -0.386 0.000 1.026 786 F HN 0.024 nan 8.300 nan 0.000 0.494 787 I N -0.632 119.694 120.570 -0.407 0.000 3.645 787 I HA -0.095 4.059 4.170 -0.027 0.000 0.300 787 I C 1.591 177.579 176.117 -0.215 0.000 1.260 787 I CA -0.031 60.990 61.300 -0.465 0.000 1.365 787 I CB -0.095 37.553 38.000 -0.585 0.000 1.077 787 I HN 0.101 nan 8.210 nan 0.000 0.439 788 I N 1.118 121.593 120.570 -0.158 0.000 2.628 788 I HA 0.081 4.234 4.170 -0.027 0.000 0.255 788 I C 2.244 178.301 176.117 -0.101 0.000 1.119 788 I CA 0.998 62.239 61.300 -0.098 0.000 1.448 788 I CB -0.953 37.005 38.000 -0.070 0.000 1.133 788 I HN 0.092 nan 8.210 nan 0.000 0.438 789 A N -0.028 122.717 122.820 -0.125 0.000 2.431 789 A HA 0.184 4.488 4.320 -0.027 0.000 0.239 789 A C 0.426 177.935 177.584 -0.125 0.000 1.230 789 A CA -0.170 51.804 52.037 -0.104 0.000 0.928 789 A CB -0.302 18.647 19.000 -0.085 0.000 1.006 789 A HN 0.434 nan 8.150 nan 0.000 0.520 790 N N 0.321 118.897 118.700 -0.207 0.000 2.696 790 N HA -0.163 4.560 4.740 -0.027 0.000 0.256 790 N C -0.262 175.130 175.510 -0.197 0.000 1.031 790 N CA 1.497 54.392 53.050 -0.258 0.000 0.730 790 N CB -1.425 36.969 38.487 -0.154 0.000 0.894 790 N HN 0.879 nan 8.380 nan 0.000 0.544 791 I N -3.458 116.992 120.570 -0.200 0.000 2.797 791 I HA 0.710 4.864 4.170 -0.027 0.000 0.307 791 I C -2.392 173.677 176.117 -0.080 0.000 1.033 791 I CA -2.485 58.743 61.300 -0.121 0.000 1.071 791 I CB 2.067 40.041 38.000 -0.044 0.000 1.255 791 I HN -0.260 nan 8.210 nan 0.000 0.445 792 P HA -0.007 nan 4.420 nan 0.000 0.269 792 P C -0.560 176.753 177.300 0.022 0.000 1.217 792 P CA -0.283 62.604 63.100 -0.355 0.000 0.783 792 P CB 0.326 31.303 31.700 -1.205 0.000 0.898 793 L N 4.744 126.007 121.223 0.067 0.000 2.600 793 L HA 0.158 4.481 4.340 -0.027 0.000 0.278 793 L C -1.792 175.128 176.870 0.084 0.000 1.139 793 L CA -1.393 53.438 54.840 -0.015 0.000 0.933 793 L CB -0.336 41.658 42.059 -0.109 0.000 1.266 793 L HN 0.285 nan 8.230 nan 0.000 0.471 794 P HA -0.125 nan 4.420 nan 0.000 0.215 794 P C -0.389 176.737 177.300 -0.291 0.000 1.157 794 P CA 1.009 64.004 63.100 -0.176 0.000 0.868 794 P CB 0.141 31.370 31.700 -0.786 0.000 0.788 795 L N -0.913 119.941 121.223 -0.615 0.000 2.356 795 L HA 0.674 4.997 4.340 -0.027 0.000 0.277 795 L C 0.201 176.537 176.870 -0.891 0.000 0.996 795 L CA -0.763 53.577 54.840 -0.834 0.000 0.822 795 L CB 1.298 42.798 42.059 -0.931 0.000 1.256 795 L HN -0.112 nan 8.230 nan 0.000 0.413 796 G N 2.118 109.936 108.800 -1.636 0.000 2.528 796 G HA2 0.393 4.336 3.960 -0.027 0.000 0.289 796 G HA3 0.393 4.336 3.960 -0.027 0.000 0.289 796 G C 0.395 175.043 174.900 -0.420 0.000 1.192 796 G CA 0.164 44.727 45.100 -0.895 0.000 0.921 796 G HN 0.675 nan 8.290 nan 0.000 0.512 797 T N 0.386 114.795 114.554 -0.242 0.000 2.668 797 T HA -0.146 4.187 4.350 -0.027 0.000 0.262 797 T C 2.635 177.243 174.700 -0.154 0.000 1.045 797 T CA 1.208 63.183 62.100 -0.208 0.000 1.152 797 T CB -0.374 68.388 68.868 -0.177 0.000 0.864 797 T HN 0.144 nan 8.240 nan 0.000 0.419 798 V N 2.148 121.987 119.914 -0.126 0.000 2.511 798 V HA -0.259 3.845 4.120 -0.027 0.000 0.257 798 V C 2.622 178.656 176.094 -0.100 0.000 1.088 798 V CA 2.162 64.402 62.300 -0.101 0.000 1.098 798 V CB -1.274 30.477 31.823 -0.120 0.000 0.674 798 V HN 0.637 nan 8.190 nan 0.000 0.470 799 T N -0.125 114.357 114.554 -0.120 0.000 2.668 799 T HA -0.086 4.248 4.350 -0.027 0.000 0.262 799 T C 1.831 176.549 174.700 0.031 0.000 1.045 799 T CA 1.670 63.738 62.100 -0.053 0.000 1.152 799 T CB -0.265 68.550 68.868 -0.088 0.000 0.864 799 T HN 0.339 nan 8.240 nan 0.000 0.419 800 I N 1.246 121.780 120.570 -0.059 0.000 2.143 800 I HA -0.213 3.941 4.170 -0.027 0.000 0.245 800 I C 2.233 178.339 176.117 -0.018 0.000 1.068 800 I CA 1.479 62.745 61.300 -0.056 0.000 1.326 800 I CB -0.513 37.410 38.000 -0.127 0.000 1.028 800 I HN 0.221 nan 8.210 nan 0.000 0.412 801 L N -0.329 120.877 121.223 -0.029 0.000 2.450 801 L HA -0.205 4.119 4.340 -0.027 0.000 0.224 801 L C 1.877 178.767 176.870 0.033 0.000 1.149 801 L CA 0.551 55.383 54.840 -0.014 0.000 0.816 801 L CB -0.528 41.513 42.059 -0.030 0.000 0.932 801 L HN 0.435 nan 8.230 nan 0.000 0.449 802 C N -0.606 118.755 119.300 0.101 0.000 2.693 802 C HA 0.190 4.634 4.460 -0.027 0.000 0.286 802 C C 2.065 177.251 174.990 0.328 0.000 1.277 802 C CA -0.300 58.859 59.018 0.234 0.000 1.705 802 C CB -0.472 27.396 27.740 0.213 0.000 1.879 802 C HN 0.399 nan 8.230 nan 0.000 0.607 803 I N -0.205 120.441 120.570 0.127 0.000 3.623 803 I HA 0.061 4.215 4.170 -0.027 0.000 0.253 803 I C 1.813 177.932 176.117 0.002 0.000 1.144 803 I CA 0.822 62.123 61.300 0.002 0.000 1.461 803 I CB -1.142 36.810 38.000 -0.079 0.000 1.575 803 I HN 0.138 nan 8.210 nan 0.000 0.445 804 D N 1.137 121.531 120.400 -0.010 0.000 2.271 804 D HA -0.153 4.471 4.640 -0.027 0.000 0.207 804 D C 1.426 177.728 176.300 0.004 0.000 0.983 804 D CA 1.475 55.469 54.000 -0.010 0.000 0.878 804 D CB 0.513 41.294 40.800 -0.031 0.000 0.920 804 D HN 0.229 nan 8.370 nan 0.000 0.479 805 L N -1.832 119.398 121.223 0.013 0.000 3.360 805 L HA 0.244 4.567 4.340 -0.027 0.000 0.303 805 L C 1.804 178.692 176.870 0.030 0.000 1.218 805 L CA 0.044 54.890 54.840 0.010 0.000 1.059 805 L CB 0.948 43.002 42.059 -0.010 0.000 1.468 805 L HN -0.110 nan 8.230 nan 0.000 0.614 806 G N -0.335 108.501 108.800 0.060 0.000 2.664 806 G HA2 -0.015 3.928 3.960 -0.027 0.000 0.216 806 G HA3 -0.015 3.928 3.960 -0.027 0.000 0.216 806 G C 1.423 176.371 174.900 0.080 0.000 1.243 806 G CA 1.170 46.325 45.100 0.093 0.000 0.859 806 G HN 0.277 nan 8.290 nan 0.000 0.574 807 T N -2.610 111.983 114.554 0.065 0.000 3.023 807 T HA 0.124 4.457 4.350 -0.027 0.000 0.249 807 T C 1.042 175.781 174.700 0.064 0.000 1.050 807 T CA 0.782 62.905 62.100 0.038 0.000 1.088 807 T CB 0.273 69.117 68.868 -0.041 0.000 0.946 807 T HN -0.010 nan 8.240 nan 0.000 0.480 808 D N 0.435 120.879 120.400 0.073 0.000 2.413 808 D HA 0.311 4.934 4.640 -0.027 0.000 0.237 808 D C 0.995 177.374 176.300 0.131 0.000 1.171 808 D CA 0.073 54.174 54.000 0.169 0.000 0.839 808 D CB 0.308 41.177 40.800 0.115 0.000 0.950 808 D HN 0.276 nan 8.370 nan 0.000 0.499 809 M N -0.911 118.731 119.600 0.070 0.000 2.838 809 M HA 0.042 4.505 4.480 -0.027 0.000 0.251 809 M C 1.893 178.202 176.300 0.015 0.000 1.393 809 M CA 0.417 55.739 55.300 0.037 0.000 1.196 809 M CB 0.059 32.672 32.600 0.022 0.000 1.276 809 M HN -0.111 nan 8.290 nan 0.000 0.541 810 V N 1.566 121.490 119.914 0.017 0.000 2.244 810 V HA -0.150 3.954 4.120 -0.027 0.000 0.244 810 V C -0.677 175.382 176.094 -0.057 0.000 1.042 810 V CA 1.984 64.289 62.300 0.009 0.000 1.006 810 V CB -2.016 29.823 31.823 0.027 0.000 0.641 810 V HN 0.184 nan 8.190 nan 0.000 0.446 811 P HA -0.238 nan 4.420 nan 0.000 0.215 811 P C 1.728 178.800 177.300 -0.380 0.000 1.163 811 P CA 2.434 65.358 63.100 -0.294 0.000 0.894 811 P CB -0.269 31.155 31.700 -0.459 0.000 0.791 812 A N -0.058 122.559 122.820 -0.337 0.000 1.852 812 A HA -0.257 4.046 4.320 -0.027 0.000 0.217 812 A C 2.189 179.706 177.584 -0.112 0.000 1.215 812 A CA 2.269 54.185 52.037 -0.202 0.000 0.641 812 A CB -1.821 17.170 19.000 -0.015 0.000 0.838 812 A HN 0.048 nan 8.150 nan 0.000 0.450 813 I N 0.965 121.499 120.570 -0.059 0.000 2.185 813 I HA -0.269 3.885 4.170 -0.027 0.000 0.246 813 I C 2.864 178.956 176.117 -0.042 0.000 1.088 813 I CA 2.251 63.541 61.300 -0.015 0.000 1.347 813 I CB -1.538 36.460 38.000 -0.003 0.000 1.041 813 I HN 0.598 nan 8.210 nan 0.000 0.415 814 S N 0.646 116.269 115.700 -0.129 0.000 2.440 814 S HA -0.166 4.288 4.470 -0.027 0.000 0.238 814 S C 1.945 176.484 174.600 -0.102 0.000 1.010 814 S CA 0.755 58.830 58.200 -0.208 0.000 0.972 814 S CB -0.506 62.585 63.200 -0.181 0.000 0.774 814 S HN 0.315 nan 8.310 nan 0.000 0.501 815 L N 1.557 122.738 121.223 -0.069 0.000 2.376 815 L HA 0.320 4.643 4.340 -0.027 0.000 0.219 815 L C 2.697 179.611 176.870 0.073 0.000 1.133 815 L CA 0.893 55.718 54.840 -0.025 0.000 0.816 815 L CB -1.287 40.731 42.059 -0.070 0.000 0.933 815 L HN 0.452 nan 8.230 nan 0.000 0.449 816 A N -1.315 121.603 122.820 0.164 0.000 2.032 816 A HA -0.230 4.073 4.320 -0.027 0.000 0.221 816 A C 1.355 179.080 177.584 0.234 0.000 1.165 816 A CA 1.505 53.671 52.037 0.215 0.000 0.645 816 A CB -0.791 18.389 19.000 0.299 0.000 0.807 816 A HN 0.459 nan 8.150 nan 0.000 0.453 817 Y N 0.762 121.041 120.300 -0.034 0.000 2.583 817 Y HA 0.267 4.800 4.550 -0.027 0.000 0.294 817 Y C 0.426 176.307 175.900 -0.033 0.000 1.170 817 Y CA -1.190 56.891 58.100 -0.031 0.000 1.265 817 Y CB -0.314 38.126 38.460 -0.034 0.000 1.119 817 Y HN 0.193 nan 8.280 nan 0.000 0.522 818 E N 1.111 121.371 120.200 0.101 0.000 2.383 818 E HA 0.115 4.449 4.350 -0.027 0.000 0.264 818 E C 0.039 176.652 176.600 0.021 0.000 1.050 818 E CA -0.058 56.367 56.400 0.041 0.000 0.896 818 E CB 0.930 30.636 29.700 0.010 0.000 0.982 818 E HN 0.382 nan 8.360 nan 0.000 0.424 819 Q N 0.264 120.071 119.800 0.012 0.000 2.270 819 Q HA 0.577 4.901 4.340 -0.027 0.000 0.167 819 Q C -0.440 175.562 176.000 0.002 0.000 1.023 819 Q CA -0.681 55.124 55.803 0.003 0.000 1.070 819 Q CB 0.188 28.928 28.738 0.003 0.000 1.504 819 Q HN 0.529 nan 8.270 nan 0.000 0.536 820 A N 0.210 123.031 122.820 0.002 0.000 2.289 820 A HA 0.248 4.552 4.320 -0.027 0.000 0.298 820 A C -0.210 177.379 177.584 0.009 0.000 1.208 820 A CA -0.473 51.568 52.037 0.007 0.000 0.845 820 A CB 0.104 19.107 19.000 0.006 0.000 1.125 820 A HN 0.693 nan 8.150 nan 0.000 0.517 821 E N 1.088 121.295 120.200 0.012 0.000 2.505 821 E HA 0.073 4.406 4.350 -0.027 0.000 0.197 821 E C 0.334 176.946 176.600 0.021 0.000 1.111 821 E CA 0.701 57.111 56.400 0.016 0.000 0.887 821 E CB -0.167 29.545 29.700 0.020 0.000 0.913 821 E HN 0.780 nan 8.360 nan 0.000 0.517 822 S N -0.792 114.918 115.700 0.018 0.000 2.655 822 S HA 0.021 4.474 4.470 -0.027 0.000 0.263 822 S C -1.702 172.905 174.600 0.011 0.000 1.091 822 S CA -1.161 57.048 58.200 0.015 0.000 0.865 822 S CB 1.018 64.230 63.200 0.021 0.000 1.146 822 S HN -0.059 nan 8.310 nan 0.000 0.482 823 D N 1.025 121.430 120.400 0.008 0.000 2.339 823 D HA 0.343 4.967 4.640 -0.027 0.000 0.256 823 D C 1.426 177.728 176.300 0.004 0.000 1.214 823 D CA -0.326 53.676 54.000 0.004 0.000 0.877 823 D CB 0.451 41.252 40.800 0.001 0.000 1.111 823 D HN 0.606 nan 8.370 nan 0.000 0.478 824 I N 0.719 121.290 120.570 0.001 0.000 2.703 824 I HA -0.088 4.065 4.170 -0.027 0.000 0.259 824 I C 1.880 177.991 176.117 -0.011 0.000 1.151 824 I CA -0.039 61.261 61.300 -0.001 0.000 1.470 824 I CB -0.229 37.771 38.000 -0.000 0.000 1.112 824 I HN 0.199 nan 8.210 nan 0.000 0.437 825 M N 1.622 121.214 119.600 -0.012 0.000 2.435 825 M HA -0.155 4.309 4.480 -0.027 0.000 0.262 825 M C 1.867 178.160 176.300 -0.012 0.000 1.065 825 M CA 1.478 56.769 55.300 -0.015 0.000 1.076 825 M CB -1.067 31.525 32.600 -0.013 0.000 1.403 825 M HN 0.257 nan 8.290 nan 0.000 0.454 826 K N 1.226 121.622 120.400 -0.007 0.000 2.487 826 K HA 0.004 4.307 4.320 -0.027 0.000 0.192 826 K C 0.493 177.090 176.600 -0.005 0.000 1.027 826 K CA 0.005 56.289 56.287 -0.005 0.000 1.054 826 K CB 0.276 32.775 32.500 -0.001 0.000 0.824 826 K HN 0.376 nan 8.250 nan 0.000 0.510 827 R N -0.597 119.898 120.500 -0.009 0.000 2.803 827 R HA 0.327 4.651 4.340 -0.027 0.000 0.276 827 R C -0.628 175.659 176.300 -0.021 0.000 0.978 827 R CA -1.008 55.086 56.100 -0.010 0.000 0.939 827 R CB 0.808 31.105 30.300 -0.004 0.000 1.179 827 R HN -0.169 nan 8.270 nan 0.000 0.472 828 Q N 1.222 121.010 119.800 -0.020 0.000 2.474 828 Q HA 0.183 4.506 4.340 -0.027 0.000 0.256 828 Q C -2.005 173.967 176.000 -0.048 0.000 1.048 828 Q CA -1.385 54.402 55.803 -0.027 0.000 0.922 828 Q CB 0.196 28.923 28.738 -0.020 0.000 1.288 828 Q HN 0.505 nan 8.270 nan 0.000 0.484 829 P HA 0.049 nan 4.420 nan 0.000 0.271 829 P C -0.637 176.605 177.300 -0.097 0.000 1.216 829 P CA -0.121 62.928 63.100 -0.086 0.000 0.776 829 P CB 0.376 32.031 31.700 -0.074 0.000 0.881 830 R N 1.474 121.883 120.500 -0.153 0.000 2.640 830 R HA 0.027 4.351 4.340 -0.027 0.000 0.270 830 R C -0.061 176.177 176.300 -0.103 0.000 1.024 830 R CA -0.169 55.840 56.100 -0.152 0.000 1.085 830 R CB -0.426 29.702 30.300 -0.287 0.000 0.963 830 R HN 0.370 nan 8.270 nan 0.000 0.426 831 N N 3.749 122.411 118.700 -0.063 0.000 2.448 831 N HA 0.086 4.809 4.740 -0.027 0.000 0.250 831 N C -1.614 173.871 175.510 -0.042 0.000 1.136 831 N CA -1.808 51.216 53.050 -0.043 0.000 0.953 831 N CB 0.847 39.321 38.487 -0.022 0.000 1.251 831 N HN 0.468 nan 8.380 nan 0.000 0.502 832 P HA -0.236 nan 4.420 nan 0.000 0.218 832 P C 0.193 177.474 177.300 -0.033 0.000 1.146 832 P CA 1.425 64.501 63.100 -0.041 0.000 0.820 832 P CB 0.219 31.894 31.700 -0.042 0.000 0.778 833 K N -1.463 118.918 120.400 -0.033 0.000 2.361 833 K HA 0.123 4.427 4.320 -0.027 0.000 0.196 833 K C 1.606 178.184 176.600 -0.036 0.000 1.039 833 K CA 0.845 57.109 56.287 -0.039 0.000 1.001 833 K CB -0.550 31.932 32.500 -0.029 0.000 0.795 833 K HN 0.180 nan 8.250 nan 0.000 0.495 834 T N 0.803 115.346 114.554 -0.017 0.000 3.114 834 T HA 0.038 4.372 4.350 -0.027 0.000 0.240 834 T C 0.054 174.768 174.700 0.024 0.000 0.983 834 T CA 0.131 62.232 62.100 0.001 0.000 1.151 834 T CB 0.304 69.177 68.868 0.009 0.000 0.974 834 T HN 0.078 nan 8.240 nan 0.000 0.442 835 D N 3.231 123.651 120.400 0.034 0.000 2.563 835 D HA 0.200 4.824 4.640 -0.027 0.000 0.222 835 D C 0.058 176.441 176.300 0.137 0.000 1.145 835 D CA -0.034 54.014 54.000 0.079 0.000 1.001 835 D CB 0.572 41.409 40.800 0.061 0.000 1.049 835 D HN 0.116 nan 8.370 nan 0.000 0.515 836 K N 0.797 121.270 120.400 0.123 0.000 2.187 836 K HA 0.068 4.372 4.320 -0.027 0.000 0.247 836 K C 1.146 177.877 176.600 0.219 0.000 1.019 836 K CA -0.690 55.687 56.287 0.151 0.000 0.893 836 K CB 1.101 33.669 32.500 0.113 0.000 1.025 836 K HN 0.157 nan 8.250 nan 0.000 0.500 837 L N 0.938 122.272 121.223 0.184 0.000 2.162 837 L HA 0.017 4.340 4.340 -0.027 0.000 0.205 837 L C 0.418 177.307 176.870 0.032 0.000 1.086 837 L CA 1.410 56.252 54.840 0.002 0.000 0.778 837 L CB 0.469 42.470 42.059 -0.097 0.000 0.928 837 L HN 0.264 nan 8.230 nan 0.000 0.446 838 V N 3.519 123.533 119.914 0.167 0.000 2.315 838 V HA 0.274 4.377 4.120 -0.027 0.000 0.265 838 V C -0.383 175.820 176.094 0.181 0.000 1.019 838 V CA -0.862 61.562 62.300 0.207 0.000 0.824 838 V CB 0.407 32.495 31.823 0.441 0.000 1.072 838 V HN 0.444 nan 8.190 nan 0.000 0.448 839 N N 2.276 121.051 118.700 0.124 0.000 2.434 839 N HA 0.229 4.953 4.740 -0.027 0.000 0.266 839 N C 0.595 176.127 175.510 0.036 0.000 1.223 839 N CA -0.549 52.564 53.050 0.105 0.000 0.972 839 N CB 1.712 40.256 38.487 0.096 0.000 1.207 839 N HN 0.317 nan 8.380 nan 0.000 0.525 840 E N 0.316 120.532 120.200 0.027 0.000 2.160 840 E HA -0.201 4.132 4.350 -0.027 0.000 0.195 840 E C 1.736 178.312 176.600 -0.041 0.000 0.991 840 E CA 1.507 57.895 56.400 -0.020 0.000 0.810 840 E CB -0.189 29.509 29.700 -0.003 0.000 0.742 840 E HN 0.621 nan 8.360 nan 0.000 0.466 841 Q N 0.110 119.897 119.800 -0.021 0.000 2.084 841 Q HA -0.106 4.218 4.340 -0.027 0.000 0.202 841 Q C 2.274 178.187 176.000 -0.146 0.000 0.978 841 Q CA 1.161 56.935 55.803 -0.048 0.000 0.844 841 Q CB -0.189 28.546 28.738 -0.005 0.000 0.898 841 Q HN 0.331 nan 8.270 nan 0.000 0.426 842 L N 0.254 121.382 121.223 -0.159 0.000 2.217 842 L HA -0.146 4.177 4.340 -0.027 0.000 0.211 842 L C 1.837 178.577 176.870 -0.216 0.000 1.107 842 L CA 0.625 55.292 54.840 -0.289 0.000 0.783 842 L CB -0.026 41.956 42.059 -0.129 0.000 0.919 842 L HN 0.186 nan 8.230 nan 0.000 0.442 843 I N 0.237 120.710 120.570 -0.163 0.000 2.179 843 I HA -0.233 3.920 4.170 -0.027 0.000 0.242 843 I C 2.570 178.611 176.117 -0.126 0.000 1.088 843 I CA 1.795 62.965 61.300 -0.216 0.000 1.357 843 I CB -1.534 36.308 38.000 -0.263 0.000 1.051 843 I HN 0.480 nan 8.210 nan 0.000 0.409 844 S N -0.721 114.925 115.700 -0.090 0.000 2.660 844 S HA 0.008 4.461 4.470 -0.027 0.000 0.228 844 S C 1.562 176.153 174.600 -0.015 0.000 0.966 844 S CA 0.442 58.629 58.200 -0.023 0.000 0.940 844 S CB -0.055 63.139 63.200 -0.010 0.000 0.773 844 S HN 0.273 nan 8.310 nan 0.000 0.535 845 M N 0.676 120.234 119.600 -0.071 0.000 2.906 845 M HA 0.398 4.862 4.480 -0.027 0.000 0.252 845 M C 2.419 178.729 176.300 0.016 0.000 1.359 845 M CA 1.184 56.447 55.300 -0.061 0.000 1.239 845 M CB -1.069 31.377 32.600 -0.258 0.000 1.229 845 M HN 0.457 nan 8.290 nan 0.000 0.547 846 A N -0.610 122.225 122.820 0.025 0.000 1.930 846 A HA -0.149 4.154 4.320 -0.027 0.000 0.217 846 A C 1.767 179.464 177.584 0.189 0.000 1.175 846 A CA 1.451 53.557 52.037 0.115 0.000 0.627 846 A CB -0.594 18.500 19.000 0.157 0.000 0.815 846 A HN 0.425 nan 8.150 nan 0.000 0.443 847 Y N -0.616 119.661 120.300 -0.038 0.000 2.190 847 Y HA 0.190 4.724 4.550 -0.027 0.000 0.290 847 Y C 2.692 178.583 175.900 -0.014 0.000 1.115 847 Y CA 0.714 58.798 58.100 -0.027 0.000 1.107 847 Y CB -0.982 37.463 38.460 -0.026 0.000 1.033 847 Y HN 0.264 nan 8.280 nan 0.000 0.502 848 G N -1.393 107.507 108.800 0.167 0.000 2.920 848 G HA2 0.071 4.014 3.960 -0.027 0.000 0.208 848 G HA3 0.071 4.014 3.960 -0.027 0.000 0.208 848 G C 0.947 175.882 174.900 0.058 0.000 1.159 848 G CA 0.395 45.553 45.100 0.096 0.000 0.784 848 G HN 0.397 nan 8.290 nan 0.000 0.535 849 Q N -1.243 118.589 119.800 0.054 0.000 2.258 849 Q HA 0.247 4.570 4.340 -0.027 0.000 0.173 849 Q C 1.956 177.965 176.000 0.016 0.000 0.618 849 Q CA -0.534 55.289 55.803 0.034 0.000 0.841 849 Q CB 0.121 28.928 28.738 0.116 0.000 1.177 849 Q HN 0.166 nan 8.270 nan 0.000 0.441 850 I N 1.330 121.939 120.570 0.065 0.000 2.233 850 I HA -0.067 4.087 4.170 -0.027 0.000 0.243 850 I C 2.301 178.413 176.117 -0.009 0.000 1.093 850 I CA 1.925 63.260 61.300 0.058 0.000 1.380 850 I CB -1.494 36.563 38.000 0.096 0.000 1.067 850 I HN 0.406 nan 8.210 nan 0.000 0.413 851 G N 0.409 109.191 108.800 -0.029 0.000 2.469 851 G HA2 -0.325 3.618 3.960 -0.027 0.000 0.220 851 G HA3 -0.325 3.618 3.960 -0.027 0.000 0.220 851 G C 1.672 176.517 174.900 -0.092 0.000 1.136 851 G CA 0.942 45.988 45.100 -0.091 0.000 0.759 851 G HN 0.193 nan 8.290 nan 0.000 0.562 852 M N 0.582 120.147 119.600 -0.059 0.000 2.065 852 M HA 0.084 4.548 4.480 -0.027 0.000 0.259 852 M C 2.436 178.694 176.300 -0.069 0.000 1.069 852 M CA 1.156 56.428 55.300 -0.047 0.000 1.110 852 M CB -0.510 32.075 32.600 -0.026 0.000 1.328 852 M HN 0.265 nan 8.290 nan 0.000 0.405 853 I N -1.056 119.473 120.570 -0.069 0.000 2.454 853 I HA -0.301 3.852 4.170 -0.027 0.000 0.254 853 I C 2.220 178.241 176.117 -0.160 0.000 1.156 853 I CA 1.060 62.316 61.300 -0.075 0.000 1.433 853 I CB -0.556 37.441 38.000 -0.005 0.000 1.082 853 I HN 0.418 nan 8.210 nan 0.000 0.432 854 Q N 0.443 120.157 119.800 -0.144 0.000 2.230 854 Q HA -0.089 4.235 4.340 -0.027 0.000 0.202 854 Q C 2.448 178.284 176.000 -0.273 0.000 0.963 854 Q CA 1.270 56.951 55.803 -0.203 0.000 0.866 854 Q CB 0.009 28.642 28.738 -0.176 0.000 0.931 854 Q HN 0.589 nan 8.270 nan 0.000 0.452 855 A N 0.828 123.528 122.820 -0.200 0.000 1.872 855 A HA -0.117 4.187 4.320 -0.027 0.000 0.214 855 A C 2.013 179.499 177.584 -0.165 0.000 1.187 855 A CA 0.831 52.774 52.037 -0.157 0.000 0.614 855 A CB -0.601 18.401 19.000 0.003 0.000 0.826 855 A HN 0.279 nan 8.150 nan 0.000 0.442 856 L N -0.471 120.648 121.223 -0.173 0.000 2.083 856 L HA -0.118 4.205 4.340 -0.027 0.000 0.209 856 L C 2.750 179.249 176.870 -0.618 0.000 1.083 856 L CA 1.109 55.816 54.840 -0.221 0.000 0.752 856 L CB -1.091 40.792 42.059 -0.293 0.000 0.899 856 L HN 0.471 nan 8.230 nan 0.000 0.433 857 G N 0.072 108.285 108.800 -0.979 0.000 2.432 857 G HA2 -0.170 3.774 3.960 -0.027 0.000 0.219 857 G HA3 -0.170 3.774 3.960 -0.027 0.000 0.219 857 G C 1.576 176.232 174.900 -0.407 0.000 1.135 857 G CA 0.775 45.416 45.100 -0.764 0.000 0.767 857 G HN 0.490 nan 8.290 nan 0.000 0.550 858 G N 0.330 108.753 108.800 -0.629 0.000 2.394 858 G HA2 -0.062 3.881 3.960 -0.027 0.000 0.214 858 G HA3 -0.062 3.881 3.960 -0.027 0.000 0.214 858 G C 1.572 175.996 174.900 -0.793 0.000 1.176 858 G CA 0.487 44.810 45.100 -1.294 0.000 0.786 858 G HN 0.401 nan 8.290 nan 0.000 0.533 859 F N -0.533 119.380 119.950 -0.061 0.000 2.259 859 F HA 0.152 4.663 4.527 -0.027 0.000 0.298 859 F C 2.184 178.187 175.800 0.338 0.000 1.088 859 F CA 0.298 58.412 58.000 0.189 0.000 1.358 859 F CB -0.208 38.920 39.000 0.213 0.000 1.040 859 F HN 0.115 nan 8.300 nan 0.000 0.505 860 F N 0.865 121.003 119.950 0.315 0.000 2.069 860 F HA -0.275 4.235 4.527 -0.027 0.000 0.298 860 F C 2.693 178.654 175.800 0.270 0.000 1.113 860 F CA 2.146 60.364 58.000 0.364 0.000 1.214 860 F CB -1.080 38.156 39.000 0.393 0.000 0.978 860 F HN -0.115 nan 8.300 nan 0.000 0.474 861 T N -0.843 113.786 114.554 0.124 0.000 2.803 861 T HA -0.289 4.045 4.350 -0.027 0.000 0.269 861 T C 1.764 176.411 174.700 -0.089 0.000 1.052 861 T CA 1.748 63.818 62.100 -0.050 0.000 1.136 861 T CB -0.765 68.072 68.868 -0.052 0.000 0.864 861 T HN 0.501 nan 8.240 nan 0.000 0.467 862 Y N 0.784 121.027 120.300 -0.095 0.000 2.036 862 Y HA -0.158 4.375 4.550 -0.027 0.000 0.273 862 Y C 1.824 177.568 175.900 -0.260 0.000 1.135 862 Y CA 1.919 59.918 58.100 -0.169 0.000 1.106 862 Y CB -0.804 37.559 38.460 -0.161 0.000 0.976 862 Y HN 0.278 nan 8.280 nan 0.000 0.483 863 F N -0.735 119.251 119.950 0.060 0.000 2.269 863 F HA -0.212 4.299 4.527 -0.027 0.000 0.301 863 F C 2.355 178.037 175.800 -0.197 0.000 1.082 863 F CA 1.257 59.204 58.000 -0.088 0.000 1.360 863 F CB -1.145 37.894 39.000 0.065 0.000 1.041 863 F HN -0.045 nan 8.300 nan 0.000 0.512 864 V N 0.370 120.209 119.914 -0.126 0.000 2.220 864 V HA -0.311 3.793 4.120 -0.027 0.000 0.246 864 V C 2.449 178.407 176.094 -0.226 0.000 1.049 864 V CA 1.624 63.807 62.300 -0.196 0.000 1.003 864 V CB -0.566 31.081 31.823 -0.294 0.000 0.634 864 V HN 0.173 nan 8.190 nan 0.000 0.444 865 I N -0.386 119.899 120.570 -0.475 0.000 2.194 865 I HA -0.254 3.900 4.170 -0.027 0.000 0.246 865 I C 2.386 178.331 176.117 -0.288 0.000 1.093 865 I CA 1.810 62.742 61.300 -0.614 0.000 1.355 865 I CB -1.309 36.247 38.000 -0.741 0.000 1.046 865 I HN 0.276 nan 8.210 nan 0.000 0.413 866 L N 0.417 121.445 121.223 -0.326 0.000 2.027 866 L HA -0.155 4.168 4.340 -0.027 0.000 0.206 866 L C 2.860 179.757 176.870 0.044 0.000 1.074 866 L CA 1.367 56.072 54.840 -0.226 0.000 0.745 866 L CB -0.765 41.042 42.059 -0.420 0.000 0.898 866 L HN 0.188 nan 8.230 nan 0.000 0.433 867 A N 0.193 123.050 122.820 0.062 0.000 1.873 867 A HA -0.252 4.051 4.320 -0.027 0.000 0.218 867 A C 2.094 179.808 177.584 0.216 0.000 1.193 867 A CA 1.898 54.029 52.037 0.157 0.000 0.629 867 A CB -0.606 18.469 19.000 0.125 0.000 0.826 867 A HN 0.474 nan 8.150 nan 0.000 0.447 868 E N -0.475 119.844 120.200 0.197 0.000 2.333 868 E HA -0.122 4.212 4.350 -0.027 0.000 0.198 868 E C 0.640 177.399 176.600 0.266 0.000 1.007 868 E CA 0.694 57.244 56.400 0.250 0.000 0.845 868 E CB -0.123 29.791 29.700 0.355 0.000 0.766 868 E HN 0.467 nan 8.360 nan 0.000 0.507 869 N N -0.513 118.349 118.700 0.271 0.000 2.235 869 N HA 0.048 4.771 4.740 -0.027 0.000 0.209 869 N C 0.420 176.227 175.510 0.494 0.000 1.122 869 N CA 0.628 53.875 53.050 0.329 0.000 0.845 869 N CB 1.480 40.099 38.487 0.219 0.000 1.004 869 N HN 0.232 nan 8.380 nan 0.000 0.499 870 G N 0.353 109.434 108.800 0.467 0.000 2.131 870 G HA2 -0.212 3.731 3.960 -0.027 0.000 0.201 870 G HA3 -0.212 3.731 3.960 -0.027 0.000 0.201 870 G C -0.509 174.481 174.900 0.149 0.000 1.000 870 G CA -0.507 44.895 45.100 0.503 0.000 0.680 870 G HN 0.202 nan 8.290 nan 0.000 0.514 871 F N 1.053 121.079 119.950 0.127 0.000 2.676 871 F HA 0.516 5.027 4.527 -0.027 0.000 0.371 871 F C 0.852 176.679 175.800 0.045 0.000 1.141 871 F CA -1.113 56.912 58.000 0.041 0.000 1.133 871 F CB 0.846 39.825 39.000 -0.035 0.000 1.376 871 F HN -0.001 nan 8.300 nan 0.000 0.491 872 L N 3.875 125.193 121.223 0.157 0.000 2.479 872 L HA 0.069 4.393 4.340 -0.027 0.000 0.270 872 L C -1.264 175.721 176.870 0.191 0.000 1.236 872 L CA -1.327 53.603 54.840 0.150 0.000 0.823 872 L CB 0.355 42.480 42.059 0.110 0.000 1.098 872 L HN 0.252 nan 8.230 nan 0.000 0.500 873 P HA -0.191 nan 4.420 nan 0.000 0.210 873 P C 1.795 179.143 177.300 0.081 0.000 1.189 873 P CA 1.368 64.537 63.100 0.115 0.000 0.920 873 P CB -0.016 31.564 31.700 -0.201 0.000 0.782 874 I N -1.754 118.809 120.570 -0.013 0.000 2.130 874 I HA -0.374 3.779 4.170 -0.027 0.000 0.241 874 I C 1.948 178.038 176.117 -0.045 0.000 1.023 874 I CA 2.296 63.557 61.300 -0.064 0.000 1.293 874 I CB -1.806 36.115 38.000 -0.132 0.000 1.001 874 I HN 0.024 nan 8.210 nan 0.000 0.407 875 H N 0.561 119.645 119.070 0.023 0.000 2.543 875 H HA 0.134 4.673 4.556 -0.027 0.000 0.286 875 H C 1.973 177.348 175.328 0.077 0.000 1.037 875 H CA 0.786 56.858 56.048 0.041 0.000 1.250 875 H CB -0.040 29.741 29.762 0.032 0.000 1.373 875 H HN 0.373 nan 8.280 nan 0.000 0.580 876 L N 0.415 121.749 121.223 0.185 0.000 2.599 876 L HA 0.064 4.388 4.340 -0.027 0.000 0.230 876 L C -0.077 176.836 176.870 0.072 0.000 1.141 876 L CA -0.061 54.859 54.840 0.133 0.000 0.877 876 L CB 0.162 42.322 42.059 0.168 0.000 1.009 876 L HN 0.185 nan 8.230 nan 0.000 0.447 877 L N 0.186 121.443 121.223 0.058 0.000 2.360 877 L HA 0.252 4.576 4.340 -0.027 0.000 0.276 877 L C 1.326 178.200 176.870 0.007 0.000 1.121 877 L CA 0.270 55.118 54.840 0.014 0.000 0.845 877 L CB 0.557 42.611 42.059 -0.007 0.000 1.143 877 L HN 0.262 nan 8.230 nan 0.000 0.452 878 G N 2.839 111.625 108.800 -0.023 0.000 2.153 878 G HA2 -0.263 3.681 3.960 -0.027 0.000 0.252 878 G HA3 -0.263 3.681 3.960 -0.027 0.000 0.252 878 G C 0.740 175.650 174.900 0.016 0.000 0.994 878 G CA 0.326 45.413 45.100 -0.021 0.000 0.698 878 G HN 0.577 nan 8.290 nan 0.000 0.521 879 L N -0.248 120.991 121.223 0.027 0.000 2.131 879 L HA -0.031 4.293 4.340 -0.027 0.000 0.206 879 L C 3.173 180.123 176.870 0.132 0.000 1.087 879 L CA 1.660 56.562 54.840 0.102 0.000 0.767 879 L CB -0.666 41.452 42.059 0.099 0.000 0.917 879 L HN 0.579 nan 8.230 nan 0.000 0.441 880 R N 0.737 121.258 120.500 0.035 0.000 2.159 880 R HA -0.208 4.116 4.340 -0.027 0.000 0.252 880 R C 1.945 178.342 176.300 0.162 0.000 1.144 880 R CA 2.081 58.235 56.100 0.090 0.000 0.961 880 R CB -1.849 28.405 30.300 -0.077 0.000 0.877 880 R HN 0.148 nan 8.270 nan 0.000 0.444 881 V N 2.015 121.982 119.914 0.089 0.000 2.217 881 V HA -0.346 3.758 4.120 -0.027 0.000 0.248 881 V C 1.912 178.075 176.094 0.115 0.000 1.050 881 V CA 2.336 64.687 62.300 0.086 0.000 1.007 881 V CB -0.933 30.920 31.823 0.051 0.000 0.639 881 V HN 0.384 nan 8.190 nan 0.000 0.452 882 N N -0.899 117.877 118.700 0.127 0.000 2.166 882 N HA -0.190 4.533 4.740 -0.027 0.000 0.186 882 N C 1.510 177.111 175.510 0.152 0.000 1.019 882 N CA 1.677 54.803 53.050 0.126 0.000 0.856 882 N CB -0.521 38.047 38.487 0.136 0.000 0.993 882 N HN 0.740 nan 8.380 nan 0.000 0.426 883 W N 2.477 123.785 121.300 0.013 0.000 2.311 883 W HA -0.202 4.441 4.660 -0.027 0.000 0.326 883 W C 0.611 177.124 176.519 -0.010 0.000 1.239 883 W CA 1.500 58.827 57.345 -0.029 0.000 1.258 883 W CB -0.354 29.066 29.460 -0.068 0.000 1.165 883 W HN 0.085 nan 8.180 nan 0.000 0.466 884 D N 0.629 121.193 120.400 0.274 0.000 2.378 884 D HA -0.098 4.525 4.640 -0.027 0.000 0.227 884 D C 0.129 176.469 176.300 0.067 0.000 1.012 884 D CA 0.851 54.968 54.000 0.196 0.000 0.905 884 D CB -0.625 40.317 40.800 0.236 0.000 0.895 884 D HN 0.053 nan 8.370 nan 0.000 0.532 885 D N 1.037 121.434 120.400 -0.006 0.000 2.434 885 D HA -0.070 4.553 4.640 -0.027 0.000 0.252 885 D C 0.955 177.024 176.300 -0.384 0.000 1.185 885 D CA 0.066 53.936 54.000 -0.216 0.000 0.886 885 D CB 0.643 41.391 40.800 -0.086 0.000 1.148 885 D HN -0.018 nan 8.370 nan 0.000 0.483 886 R N 3.081 122.928 120.500 -1.088 0.000 2.356 886 R HA 0.111 4.435 4.340 -0.027 0.000 0.234 886 R C 0.755 176.482 176.300 -0.956 0.000 0.929 886 R CA 0.052 55.205 56.100 -1.579 0.000 1.084 886 R CB 0.153 29.302 30.300 -1.918 0.000 1.105 886 R HN 0.574 nan 8.270 nan 0.000 0.515 887 W N -0.216 120.992 121.300 -0.153 0.000 3.008 887 W HA 0.306 4.950 4.660 -0.027 0.000 0.259 887 W C 0.398 176.904 176.519 -0.022 0.000 1.045 887 W CA -0.880 56.415 57.345 -0.083 0.000 1.814 887 W CB 0.045 29.473 29.460 -0.053 0.000 1.089 887 W HN -0.203 nan 8.180 nan 0.000 0.606 888 I N 4.060 124.749 120.570 0.198 0.000 3.022 888 I HA -0.210 3.944 4.170 -0.027 0.000 0.290 888 I C 0.540 176.725 176.117 0.115 0.000 1.212 888 I CA 1.003 62.383 61.300 0.134 0.000 1.377 888 I CB -0.262 37.797 38.000 0.098 0.000 1.417 888 I HN 0.257 nan 8.210 nan 0.000 0.540 889 N N 6.105 124.874 118.700 0.114 0.000 2.273 889 N HA 0.029 4.753 4.740 -0.027 0.000 0.231 889 N C -0.252 175.308 175.510 0.084 0.000 1.134 889 N CA 0.180 53.292 53.050 0.104 0.000 0.856 889 N CB 0.451 38.999 38.487 0.102 0.000 1.068 889 N HN 0.684 nan 8.380 nan 0.000 0.510 890 D N -0.491 119.961 120.400 0.087 0.000 3.100 890 D HA 0.053 4.676 4.640 -0.027 0.000 0.350 890 D C -0.176 176.191 176.300 0.112 0.000 1.310 890 D CA -0.259 53.791 54.000 0.084 0.000 0.741 890 D CB -0.192 40.641 40.800 0.055 0.000 1.248 890 D HN -0.283 nan 8.370 nan 0.000 0.527 891 V N 0.685 120.686 119.914 0.146 0.000 2.715 891 V HA 0.105 4.208 4.120 -0.027 0.000 0.299 891 V C 0.714 176.965 176.094 0.261 0.000 1.054 891 V CA -0.020 62.387 62.300 0.179 0.000 1.077 891 V CB 1.473 33.389 31.823 0.154 0.000 0.972 891 V HN 0.328 nan 8.190 nan 0.000 0.484 892 E N 2.865 123.184 120.200 0.199 0.000 2.197 892 E HA 0.311 4.645 4.350 -0.027 0.000 0.281 892 E C -0.636 175.994 176.600 0.050 0.000 0.995 892 E CA -0.828 55.650 56.400 0.130 0.000 0.808 892 E CB 1.060 30.793 29.700 0.054 0.000 1.093 892 E HN 0.882 nan 8.360 nan 0.000 0.394 893 D N 1.904 122.230 120.400 -0.123 0.000 2.425 893 D HA 0.042 4.666 4.640 -0.027 0.000 0.274 893 D C 0.313 176.309 176.300 -0.506 0.000 1.242 893 D CA -0.379 53.224 54.000 -0.662 0.000 1.060 893 D CB 0.224 40.465 40.800 -0.932 0.000 1.112 893 D HN 0.233 nan 8.370 nan 0.000 0.561 894 S N -2.204 113.116 115.700 -0.634 0.000 2.593 894 S HA 0.051 4.504 4.470 -0.027 0.000 0.217 894 S C 0.629 174.912 174.600 -0.528 0.000 0.966 894 S CA -0.162 57.574 58.200 -0.774 0.000 0.914 894 S CB -0.496 62.265 63.200 -0.732 0.000 0.776 894 S HN 0.398 nan 8.310 nan 0.000 0.523 895 Y N 0.658 120.821 120.300 -0.228 0.000 2.467 895 Y HA 0.346 4.879 4.550 -0.027 0.000 0.250 895 Y C 1.819 177.655 175.900 -0.106 0.000 1.155 895 Y CA -0.004 58.023 58.100 -0.122 0.000 1.249 895 Y CB 0.604 39.016 38.460 -0.080 0.000 1.146 895 Y HN 0.341 nan 8.280 nan 0.000 0.524 896 G N 0.203 108.996 108.800 -0.012 0.000 2.199 896 G HA2 -0.272 3.671 3.960 -0.027 0.000 0.254 896 G HA3 -0.272 3.671 3.960 -0.027 0.000 0.254 896 G C 0.278 175.168 174.900 -0.016 0.000 0.982 896 G CA -0.108 44.983 45.100 -0.016 0.000 0.632 896 G HN 0.361 nan 8.290 nan 0.000 0.529 897 Q N 0.031 119.822 119.800 -0.014 0.000 2.492 897 Q HA 0.499 4.823 4.340 -0.027 0.000 0.238 897 Q C 0.194 176.147 176.000 -0.079 0.000 1.045 897 Q CA 0.389 56.136 55.803 -0.094 0.000 0.934 897 Q CB 0.376 29.014 28.738 -0.168 0.000 1.276 897 Q HN 0.585 nan 8.270 nan 0.000 0.521 898 Q N 0.742 120.435 119.800 -0.178 0.000 2.340 898 Q HA 0.356 4.680 4.340 -0.027 0.000 0.268 898 Q C -1.591 174.320 176.000 -0.149 0.000 1.031 898 Q CA -0.391 55.378 55.803 -0.057 0.000 0.804 898 Q CB 1.465 30.185 28.738 -0.030 0.000 1.286 898 Q HN 0.435 nan 8.270 nan 0.000 0.448 899 W N 1.495 122.808 121.300 0.020 0.000 2.573 899 W HA 0.364 5.008 4.660 -0.027 0.000 0.326 899 W C 0.831 177.314 176.519 -0.060 0.000 1.049 899 W CA -0.568 56.767 57.345 -0.016 0.000 1.220 899 W CB 1.538 30.991 29.460 -0.011 0.000 1.373 899 W HN 0.587 nan 8.180 nan 0.000 0.507 900 T N -0.979 113.658 114.554 0.138 0.000 2.681 900 T HA -0.060 4.273 4.350 -0.027 0.000 0.333 900 T C 0.734 175.460 174.700 0.043 0.000 1.049 900 T CA 0.373 62.524 62.100 0.084 0.000 1.002 900 T CB 0.299 69.207 68.868 0.066 0.000 1.161 900 T HN 0.448 nan 8.240 nan 0.000 0.519 901 Y N 0.846 121.102 120.300 -0.074 0.000 2.084 901 Y HA 0.029 4.563 4.550 -0.027 0.000 0.279 901 Y C 2.771 178.555 175.900 -0.193 0.000 1.119 901 Y CA 2.021 60.022 58.100 -0.165 0.000 1.101 901 Y CB -0.604 37.778 38.460 -0.130 0.000 0.989 901 Y HN 0.650 nan 8.280 nan 0.000 0.484 902 E N 0.562 120.692 120.200 -0.116 0.000 2.118 902 E HA -0.245 4.089 4.350 -0.027 0.000 0.195 902 E C 2.088 178.553 176.600 -0.226 0.000 0.992 902 E CA 1.602 57.883 56.400 -0.198 0.000 0.804 902 E CB -0.290 29.414 29.700 0.007 0.000 0.741 902 E HN 0.698 nan 8.360 nan 0.000 0.458 903 Q N 0.061 119.801 119.800 -0.101 0.000 2.002 903 Q HA -0.191 4.133 4.340 -0.027 0.000 0.204 903 Q C 2.337 178.268 176.000 -0.115 0.000 0.988 903 Q CA 1.962 57.776 55.803 0.018 0.000 0.843 903 Q CB -0.424 28.453 28.738 0.231 0.000 0.908 903 Q HN 0.296 nan 8.270 nan 0.000 0.420 904 R N 0.576 120.898 120.500 -0.297 0.000 2.127 904 R HA -0.117 4.207 4.340 -0.027 0.000 0.238 904 R C 1.909 177.750 176.300 -0.765 0.000 1.134 904 R CA 1.165 56.779 56.100 -0.809 0.000 0.975 904 R CB -0.163 29.313 30.300 -1.373 0.000 0.865 904 R HN -0.030 nan 8.270 nan 0.000 0.447 905 K N 0.986 120.917 120.400 -0.782 0.000 2.026 905 K HA -0.049 4.254 4.320 -0.027 0.000 0.208 905 K C 2.088 178.227 176.600 -0.769 0.000 1.048 905 K CA 0.986 56.756 56.287 -0.861 0.000 0.929 905 K CB -0.283 31.666 32.500 -0.919 0.000 0.713 905 K HN 0.231 nan 8.250 nan 0.000 0.439 906 I N 1.147 121.396 120.570 -0.536 0.000 2.399 906 I HA -0.214 3.939 4.170 -0.027 0.000 0.254 906 I C 2.283 178.068 176.117 -0.554 0.000 1.146 906 I CA 0.978 61.930 61.300 -0.581 0.000 1.412 906 I CB -1.150 36.594 38.000 -0.428 0.000 1.076 906 I HN -0.159 nan 8.210 nan 0.000 0.432 907 V N 0.429 120.081 119.914 -0.437 0.000 2.407 907 V HA -0.207 3.896 4.120 -0.027 0.000 0.245 907 V C 2.521 178.408 176.094 -0.346 0.000 1.041 907 V CA 1.596 63.684 62.300 -0.353 0.000 1.040 907 V CB -0.543 31.046 31.823 -0.390 0.000 0.671 907 V HN 0.413 nan 8.190 nan 0.000 0.455 908 E N 0.258 120.225 120.200 -0.389 0.000 2.049 908 E HA -0.264 4.070 4.350 -0.027 0.000 0.198 908 E C 2.096 178.422 176.600 -0.457 0.000 1.007 908 E CA 2.045 58.195 56.400 -0.416 0.000 0.809 908 E CB -0.208 29.223 29.700 -0.449 0.000 0.749 908 E HN 0.495 nan 8.360 nan 0.000 0.450 909 F N 0.654 120.361 119.950 -0.405 0.000 2.234 909 F HA -0.077 4.434 4.527 -0.027 0.000 0.299 909 F C 2.586 178.372 175.800 -0.023 0.000 1.087 909 F CA 1.224 59.067 58.000 -0.263 0.000 1.340 909 F CB -1.035 38.021 39.000 0.094 0.000 1.031 909 F HN 0.050 nan 8.300 nan 0.000 0.500 910 T N -1.950 112.622 114.554 0.029 0.000 3.118 910 T HA -0.105 4.229 4.350 -0.027 0.000 0.260 910 T C 1.980 176.669 174.700 -0.020 0.000 1.139 910 T CA 0.700 62.838 62.100 0.063 0.000 1.085 910 T CB -0.545 68.313 68.868 -0.017 0.000 0.934 910 T HN 0.355 nan 8.240 nan 0.000 0.518 911 C N 0.061 119.317 119.300 -0.073 0.000 2.735 911 C HA 0.226 4.669 4.460 -0.027 0.000 0.271 911 C C 2.233 177.317 174.990 0.156 0.000 1.281 911 C CA -0.243 58.733 59.018 -0.071 0.000 1.719 911 C CB -0.937 26.679 27.740 -0.207 0.000 2.024 911 C HN 0.678 nan 8.230 nan 0.000 0.566 912 H N -0.658 118.457 119.070 0.075 0.000 2.307 912 H HA -0.107 4.433 4.556 -0.027 0.000 0.303 912 H C 2.380 177.780 175.328 0.120 0.000 1.073 912 H CA 1.685 57.784 56.048 0.085 0.000 1.338 912 H CB -0.098 29.729 29.762 0.108 0.000 1.389 912 H HN 0.301 nan 8.280 nan 0.000 0.503 913 T N 1.642 116.336 114.554 0.234 0.000 2.653 913 T HA -0.126 4.208 4.350 -0.027 0.000 0.268 913 T C -0.786 174.022 174.700 0.181 0.000 1.035 913 T CA 1.948 64.125 62.100 0.129 0.000 1.154 913 T CB -0.855 68.063 68.868 0.083 0.000 0.862 913 T HN 0.460 nan 8.240 nan 0.000 0.441 914 P HA 0.028 nan 4.420 nan 0.000 0.221 914 P C 1.374 178.707 177.300 0.054 0.000 1.155 914 P CA 0.734 63.871 63.100 0.062 0.000 0.812 914 P CB -0.228 31.439 31.700 -0.054 0.000 0.801 915 F N 0.114 120.048 119.950 -0.026 0.000 2.154 915 F HA -0.205 4.306 4.527 -0.027 0.000 0.301 915 F C 2.238 177.991 175.800 -0.078 0.000 1.087 915 F CA 1.509 59.458 58.000 -0.085 0.000 1.274 915 F CB -0.714 38.226 39.000 -0.101 0.000 1.009 915 F HN -0.204 nan 8.300 nan 0.000 0.485 916 F N -0.432 119.553 119.950 0.058 0.000 2.113 916 F HA -0.154 4.357 4.527 -0.027 0.000 0.297 916 F C 2.141 177.856 175.800 -0.142 0.000 1.103 916 F CA 1.662 59.639 58.000 -0.039 0.000 1.248 916 F CB -1.048 37.932 39.000 -0.033 0.000 0.999 916 F HN -0.202 nan 8.300 nan 0.000 0.475 917 V N -0.036 119.897 119.914 0.032 0.000 2.233 917 V HA -0.341 3.763 4.120 -0.027 0.000 0.247 917 V C 2.583 178.437 176.094 -0.400 0.000 1.050 917 V CA 2.649 64.787 62.300 -0.270 0.000 1.010 917 V CB -0.943 30.670 31.823 -0.349 0.000 0.637 917 V HN 0.603 nan 8.190 nan 0.000 0.444 918 T N -0.356 114.017 114.554 -0.301 0.000 2.649 918 T HA -0.237 4.097 4.350 -0.027 0.000 0.268 918 T C 1.813 176.264 174.700 -0.415 0.000 1.036 918 T CA 2.060 63.963 62.100 -0.328 0.000 1.157 918 T CB -0.282 68.400 68.868 -0.311 0.000 0.861 918 T HN 0.218 nan 8.240 nan 0.000 0.445 919 I N 0.930 121.239 120.570 -0.435 0.000 2.091 919 I HA -0.159 3.995 4.170 -0.027 0.000 0.239 919 I C 2.666 178.531 176.117 -0.418 0.000 1.061 919 I CA 1.238 62.292 61.300 -0.410 0.000 1.317 919 I CB -1.494 36.292 38.000 -0.358 0.000 1.031 919 I HN 0.167 nan 8.210 nan 0.000 0.401 920 V N 0.785 120.405 119.914 -0.491 0.000 2.313 920 V HA -0.299 3.804 4.120 -0.027 0.000 0.253 920 V C 2.605 178.326 176.094 -0.622 0.000 1.070 920 V CA 1.740 63.777 62.300 -0.439 0.000 1.057 920 V CB -0.713 30.843 31.823 -0.446 0.000 0.653 920 V HN 0.254 nan 8.190 nan 0.000 0.450 921 V N 0.336 119.746 119.914 -0.839 0.000 2.759 921 V HA -0.148 3.956 4.120 -0.027 0.000 0.256 921 V C 2.214 177.910 176.094 -0.664 0.000 1.080 921 V CA 1.796 63.346 62.300 -1.251 0.000 1.101 921 V CB -0.285 30.979 31.823 -0.931 0.000 0.698 921 V HN 0.622 nan 8.190 nan 0.000 0.477 922 V N -3.216 116.461 119.914 -0.394 0.000 3.506 922 V HA 0.060 4.164 4.120 -0.027 0.000 0.263 922 V C 1.989 178.021 176.094 -0.103 0.000 1.203 922 V CA 0.618 62.798 62.300 -0.200 0.000 1.133 922 V CB -0.324 31.387 31.823 -0.187 0.000 0.802 922 V HN 0.391 nan 8.190 nan 0.000 0.459 923 Q N -0.624 119.106 119.800 -0.117 0.000 2.432 923 Q HA -0.019 4.304 4.340 -0.027 0.000 0.205 923 Q C 1.770 177.968 176.000 0.330 0.000 0.945 923 Q CA 0.812 56.636 55.803 0.035 0.000 0.924 923 Q CB -0.137 28.594 28.738 -0.011 0.000 1.016 923 Q HN 0.812 nan 8.270 nan 0.000 0.503 924 W N 1.510 122.814 121.300 0.007 0.000 2.322 924 W HA -0.115 4.528 4.660 -0.028 0.000 0.326 924 W C 2.493 179.044 176.519 0.055 0.000 1.224 924 W CA 1.037 58.389 57.345 0.011 0.000 1.257 924 W CB -1.480 27.938 29.460 -0.069 0.000 1.174 924 W HN 0.155 nan 8.180 nan 0.000 0.460 925 A N 0.178 123.178 122.820 0.300 0.000 1.859 925 A HA -0.307 3.997 4.320 -0.027 0.000 0.217 925 A C 1.849 179.569 177.584 0.225 0.000 1.198 925 A CA 2.655 54.838 52.037 0.243 0.000 0.629 925 A CB -1.342 17.769 19.000 0.185 0.000 0.830 925 A HN 0.299 nan 8.150 nan 0.000 0.446 926 D N -0.902 119.607 120.400 0.182 0.000 2.133 926 D HA -0.166 4.457 4.640 -0.027 0.000 0.195 926 D C 1.717 178.202 176.300 0.309 0.000 0.997 926 D CA 1.375 55.485 54.000 0.183 0.000 0.840 926 D CB -0.219 40.601 40.800 0.034 0.000 0.947 926 D HN 0.258 nan 8.370 nan 0.000 0.452 927 L N -0.367 121.108 121.223 0.421 0.000 2.261 927 L HA -0.086 4.237 4.340 -0.027 0.000 0.216 927 L C 1.921 178.871 176.870 0.135 0.000 1.114 927 L CA 1.244 56.263 54.840 0.298 0.000 0.777 927 L CB -0.174 41.994 42.059 0.181 0.000 0.910 927 L HN 0.026 nan 8.230 nan 0.000 0.440 928 V N -0.418 119.588 119.914 0.153 0.000 2.575 928 V HA -0.103 4.001 4.120 -0.027 0.000 0.242 928 V C 2.247 178.383 176.094 0.070 0.000 1.045 928 V CA 1.245 63.609 62.300 0.106 0.000 1.065 928 V CB -0.069 31.852 31.823 0.163 0.000 0.717 928 V HN 0.570 nan 8.190 nan 0.000 0.467 929 I N -2.499 118.121 120.570 0.084 0.000 2.830 929 I HA -0.131 4.022 4.170 -0.027 0.000 0.263 929 I C 2.037 178.169 176.117 0.024 0.000 1.230 929 I CA 1.475 62.786 61.300 0.018 0.000 1.480 929 I CB -0.773 37.246 38.000 0.031 0.000 1.095 929 I HN 0.174 nan 8.210 nan 0.000 0.455 930 C N 1.119 120.460 119.300 0.068 0.000 2.634 930 C HA 0.079 4.523 4.460 -0.027 0.000 0.268 930 C C 2.626 177.597 174.990 -0.031 0.000 1.322 930 C CA 0.305 59.346 59.018 0.039 0.000 1.737 930 C CB -0.855 26.982 27.740 0.162 0.000 1.976 930 C HN 0.607 nan 8.230 nan 0.000 0.547 931 K N 1.624 122.014 120.400 -0.016 0.000 2.281 931 K HA -0.129 4.175 4.320 -0.027 0.000 0.203 931 K C 0.660 177.226 176.600 -0.057 0.000 1.046 931 K CA 1.746 58.012 56.287 -0.035 0.000 0.938 931 K CB -0.082 32.405 32.500 -0.022 0.000 0.737 931 K HN 0.652 nan 8.250 nan 0.000 0.458 932 T N -3.381 111.125 114.554 -0.080 0.000 2.888 932 T HA 0.449 4.783 4.350 -0.027 0.000 0.288 932 T C 0.497 175.084 174.700 -0.188 0.000 1.063 932 T CA -1.056 60.987 62.100 -0.095 0.000 1.010 932 T CB 2.007 70.842 68.868 -0.055 0.000 1.214 932 T HN 0.117 nan 8.240 nan 0.000 0.533 933 R N -1.244 119.162 120.500 -0.157 0.000 2.444 933 R HA 0.396 4.720 4.340 -0.027 0.000 0.201 933 R C 2.177 178.505 176.300 0.046 0.000 0.861 933 R CA -0.097 55.855 56.100 -0.246 0.000 1.034 933 R CB 0.482 30.591 30.300 -0.318 0.000 1.347 933 R HN 0.701 nan 8.270 nan 0.000 0.659 934 R N -0.856 119.711 120.500 0.113 0.000 2.650 934 R HA 0.212 4.535 4.340 -0.027 0.000 0.212 934 R C -0.593 175.731 176.300 0.041 0.000 0.904 934 R CA -0.185 56.003 56.100 0.147 0.000 1.021 934 R CB 0.442 30.859 30.300 0.195 0.000 1.519 934 R HN -0.045 nan 8.270 nan 0.000 0.639 935 N N 1.818 120.535 118.700 0.029 0.000 2.520 935 N HA 0.020 4.743 4.740 -0.027 0.000 0.273 935 N C -0.735 174.786 175.510 0.019 0.000 1.155 935 N CA 0.217 53.279 53.050 0.020 0.000 0.967 935 N CB 1.757 40.257 38.487 0.021 0.000 1.092 935 N HN 0.279 nan 8.380 nan 0.000 0.457 936 S N 1.061 116.786 115.700 0.041 0.000 2.572 936 S HA 0.072 4.526 4.470 -0.027 0.000 0.279 936 S C 1.446 176.113 174.600 0.112 0.000 1.341 936 S CA -0.764 57.486 58.200 0.083 0.000 1.043 936 S CB 0.603 63.885 63.200 0.136 0.000 0.887 936 S HN 0.260 nan 8.310 nan 0.000 0.516 937 V N 3.383 123.351 119.914 0.090 0.000 2.688 937 V HA -0.126 3.978 4.120 -0.027 0.000 0.256 937 V C 1.753 177.824 176.094 -0.037 0.000 1.084 937 V CA 1.787 64.083 62.300 -0.006 0.000 1.103 937 V CB -1.344 30.439 31.823 -0.067 0.000 0.688 937 V HN 0.880 nan 8.190 nan 0.000 0.480 938 F N 0.183 120.158 119.950 0.041 0.000 2.259 938 F HA -0.101 4.409 4.527 -0.027 0.000 0.298 938 F C 2.522 178.335 175.800 0.023 0.000 1.088 938 F CA 1.236 59.261 58.000 0.042 0.000 1.358 938 F CB -0.563 38.464 39.000 0.045 0.000 1.040 938 F HN 0.138 nan 8.300 nan 0.000 0.505 939 Q N -0.386 119.535 119.800 0.202 0.000 2.049 939 Q HA -0.221 4.102 4.340 -0.027 0.000 0.198 939 Q C 1.955 177.993 176.000 0.063 0.000 0.971 939 Q CA 1.413 57.280 55.803 0.108 0.000 0.833 939 Q CB -0.255 28.529 28.738 0.077 0.000 0.896 939 Q HN 0.343 nan 8.270 nan 0.000 0.434 940 Q N -0.299 119.529 119.800 0.045 0.000 2.403 940 Q HA 0.111 4.435 4.340 -0.027 0.000 0.203 940 Q C 0.477 176.479 176.000 0.004 0.000 0.932 940 Q CA 0.474 56.289 55.803 0.019 0.000 0.945 940 Q CB 0.207 28.949 28.738 0.007 0.000 1.045 940 Q HN 0.393 nan 8.270 nan 0.000 0.511 941 G N 1.017 109.817 108.800 0.000 0.000 2.581 941 G HA2 -0.297 3.647 3.960 -0.027 0.000 0.289 941 G HA3 -0.297 3.647 3.960 -0.027 0.000 0.289 941 G C -0.061 174.814 174.900 -0.042 0.000 1.303 941 G CA 0.301 45.384 45.100 -0.027 0.000 0.931 941 G HN 0.308 nan 8.290 nan 0.000 0.555 942 M N 0.334 119.908 119.600 -0.044 0.000 2.854 942 M HA 0.284 4.748 4.480 -0.027 0.000 0.203 942 M C 1.199 177.477 176.300 -0.037 0.000 1.069 942 M CA -0.218 55.054 55.300 -0.046 0.000 0.803 942 M CB 0.936 33.498 32.600 -0.063 0.000 1.380 942 M HN 0.677 nan 8.290 nan 0.000 0.494 943 K N 0.653 121.039 120.400 -0.024 0.000 2.137 943 K HA 0.037 4.341 4.320 -0.027 0.000 0.202 943 K C 0.918 177.508 176.600 -0.015 0.000 1.052 943 K CA 0.436 56.713 56.287 -0.016 0.000 0.961 943 K CB 0.355 32.852 32.500 -0.005 0.000 0.741 943 K HN 0.326 nan 8.250 nan 0.000 0.452 944 N N 1.848 120.539 118.700 -0.014 0.000 2.417 944 N HA -0.072 4.651 4.740 -0.027 0.000 0.272 944 N C 0.254 175.738 175.510 -0.043 0.000 1.304 944 N CA 0.481 53.524 53.050 -0.012 0.000 0.906 944 N CB 0.756 39.236 38.487 -0.012 0.000 1.135 944 N HN -0.000 nan 8.380 nan 0.000 0.483 945 K N 3.751 124.124 120.400 -0.046 0.000 2.262 945 K HA 0.084 4.387 4.320 -0.027 0.000 0.200 945 K C 1.525 178.068 176.600 -0.095 0.000 1.049 945 K CA 0.376 56.620 56.287 -0.072 0.000 0.979 945 K CB 0.227 32.688 32.500 -0.065 0.000 0.773 945 K HN 0.503 nan 8.250 nan 0.000 0.474 946 I N 1.379 121.863 120.570 -0.143 0.000 2.162 946 I HA -0.167 3.986 4.170 -0.027 0.000 0.238 946 I C 2.453 178.524 176.117 -0.077 0.000 1.076 946 I CA 0.745 61.933 61.300 -0.187 0.000 1.353 946 I CB -1.289 36.435 38.000 -0.459 0.000 1.063 946 I HN 0.050 nan 8.210 nan 0.000 0.408 947 L N 0.709 121.862 121.223 -0.117 0.000 2.151 947 L HA -0.264 4.059 4.340 -0.027 0.000 0.215 947 L C 2.512 179.338 176.870 -0.073 0.000 1.084 947 L CA 1.522 56.305 54.840 -0.095 0.000 0.764 947 L CB -0.137 41.868 42.059 -0.089 0.000 0.891 947 L HN 0.125 nan 8.230 nan 0.000 0.435 948 I N -0.804 119.722 120.570 -0.074 0.000 2.110 948 I HA -0.339 3.815 4.170 -0.027 0.000 0.236 948 I C 2.365 178.411 176.117 -0.118 0.000 1.068 948 I CA 1.876 63.108 61.300 -0.112 0.000 1.333 948 I CB -0.428 37.485 38.000 -0.145 0.000 1.054 948 I HN 0.371 nan 8.210 nan 0.000 0.402 949 F N 1.834 121.640 119.950 -0.241 0.000 2.236 949 F HA -0.186 4.325 4.527 -0.027 0.000 0.302 949 F C 2.059 177.810 175.800 -0.080 0.000 1.073 949 F CA 1.510 59.382 58.000 -0.213 0.000 1.336 949 F CB -0.613 38.280 39.000 -0.177 0.000 1.040 949 F HN 0.009 nan 8.300 nan 0.000 0.507 950 G N 1.213 109.942 108.800 -0.117 0.000 2.418 950 G HA2 -0.205 3.738 3.960 -0.027 0.000 0.217 950 G HA3 -0.205 3.738 3.960 -0.027 0.000 0.217 950 G C 1.735 176.525 174.900 -0.183 0.000 1.158 950 G CA 0.941 45.925 45.100 -0.194 0.000 0.771 950 G HN 0.455 nan 8.290 nan 0.000 0.545 951 L N -0.661 120.494 121.223 -0.114 0.000 2.012 951 L HA -0.089 4.234 4.340 -0.027 0.000 0.210 951 L C 2.754 179.597 176.870 -0.045 0.000 1.073 951 L CA 1.132 55.904 54.840 -0.113 0.000 0.748 951 L CB -0.437 41.499 42.059 -0.203 0.000 0.891 951 L HN 0.127 nan 8.230 nan 0.000 0.431 952 F N 0.205 119.964 119.950 -0.319 0.000 2.134 952 F HA -0.206 4.305 4.527 -0.027 0.000 0.299 952 F C 2.733 178.375 175.800 -0.264 0.000 1.097 952 F CA 1.155 58.998 58.000 -0.262 0.000 1.264 952 F CB -0.464 38.391 39.000 -0.242 0.000 1.001 952 F HN 0.084 nan 8.300 nan 0.000 0.479 953 E N -0.040 119.993 120.200 -0.277 0.000 2.051 953 E HA -0.176 4.157 4.350 -0.027 0.000 0.189 953 E C 2.204 178.746 176.600 -0.098 0.000 0.979 953 E CA 0.827 57.059 56.400 -0.280 0.000 0.803 953 E CB -0.556 28.805 29.700 -0.564 0.000 0.761 953 E HN 0.501 nan 8.360 nan 0.000 0.451 954 E N 0.269 120.423 120.200 -0.076 0.000 2.114 954 E HA -0.198 4.136 4.350 -0.027 0.000 0.199 954 E C 1.711 178.358 176.600 0.079 0.000 1.008 954 E CA 1.817 58.231 56.400 0.023 0.000 0.810 954 E CB 0.127 29.865 29.700 0.063 0.000 0.739 954 E HN 0.090 nan 8.360 nan 0.000 0.456 955 T N 0.164 114.782 114.554 0.106 0.000 2.668 955 T HA -0.049 4.284 4.350 -0.027 0.000 0.258 955 T C 1.862 176.645 174.700 0.139 0.000 1.051 955 T CA 1.399 63.596 62.100 0.163 0.000 1.155 955 T CB -0.486 68.496 68.868 0.189 0.000 0.864 955 T HN 0.377 nan 8.240 nan 0.000 0.413 956 A N 1.078 123.958 122.820 0.100 0.000 2.009 956 A HA -0.138 4.166 4.320 -0.027 0.000 0.222 956 A C 2.263 179.960 177.584 0.188 0.000 1.175 956 A CA 1.555 53.676 52.037 0.141 0.000 0.651 956 A CB -0.978 18.068 19.000 0.076 0.000 0.815 956 A HN 0.517 nan 8.150 nan 0.000 0.459 957 L N -1.258 120.054 121.223 0.148 0.000 2.023 957 L HA -0.063 4.261 4.340 -0.027 0.000 0.205 957 L C 2.951 179.993 176.870 0.287 0.000 1.073 957 L CA 1.303 56.257 54.840 0.189 0.000 0.745 957 L CB -0.521 41.620 42.059 0.136 0.000 0.900 957 L HN 0.410 nan 8.230 nan 0.000 0.435 958 A N 0.105 123.095 122.820 0.282 0.000 1.859 958 A HA -0.306 3.998 4.320 -0.027 0.000 0.217 958 A C 2.459 180.183 177.584 0.233 0.000 1.198 958 A CA 2.283 54.565 52.037 0.409 0.000 0.629 958 A CB -1.308 17.829 19.000 0.228 0.000 0.830 958 A HN 0.587 nan 8.150 nan 0.000 0.446 959 A N -1.257 121.688 122.820 0.209 0.000 1.909 959 A HA -0.252 4.052 4.320 -0.027 0.000 0.221 959 A C 2.138 179.901 177.584 0.298 0.000 1.223 959 A CA 2.205 54.459 52.037 0.361 0.000 0.658 959 A CB -0.954 18.383 19.000 0.561 0.000 0.831 959 A HN 0.902 nan 8.150 nan 0.000 0.462 960 F N -0.395 119.656 119.950 0.168 0.000 2.146 960 F HA -0.060 4.450 4.527 -0.027 0.000 0.298 960 F C 1.631 177.453 175.800 0.037 0.000 1.096 960 F CA 1.459 59.533 58.000 0.124 0.000 1.275 960 F CB -0.198 38.862 39.000 0.100 0.000 1.008 960 F HN 0.132 nan 8.300 nan 0.000 0.480 961 L N -0.254 121.045 121.223 0.127 0.000 2.642 961 L HA -0.100 4.224 4.340 -0.027 0.000 0.236 961 L C 2.208 178.921 176.870 -0.261 0.000 1.169 961 L CA 1.336 56.122 54.840 -0.091 0.000 0.851 961 L CB -1.102 40.869 42.059 -0.146 0.000 0.968 961 L HN 0.323 nan 8.230 nan 0.000 0.453 962 S N -1.597 113.943 115.700 -0.266 0.000 2.738 962 S HA 0.054 4.508 4.470 -0.027 0.000 0.216 962 S C 0.931 175.311 174.600 -0.367 0.000 0.968 962 S CA -0.180 57.797 58.200 -0.372 0.000 0.879 962 S CB -0.204 62.681 63.200 -0.523 0.000 0.837 962 S HN 0.302 nan 8.310 nan 0.000 0.622 963 Y N 1.461 121.746 120.300 -0.026 0.000 3.040 963 Y HA 0.388 4.922 4.550 -0.027 0.000 0.392 963 Y C 0.282 176.058 175.900 -0.207 0.000 1.105 963 Y CA -0.709 57.358 58.100 -0.054 0.000 1.950 963 Y CB -0.362 38.110 38.460 0.019 0.000 2.014 963 Y HN 0.188 nan 8.280 nan 0.000 0.433 964 C N 3.975 123.136 119.300 -0.230 0.000 2.298 964 C HA 0.402 4.845 4.460 -0.027 0.000 0.323 964 C C -2.094 172.784 174.990 -0.187 0.000 1.284 964 C CA -2.750 56.048 59.018 -0.365 0.000 1.577 964 C CB 0.153 27.471 27.740 -0.703 0.000 2.249 964 C HN 0.360 nan 8.230 nan 0.000 0.497 965 P HA 0.223 nan 4.420 nan 0.000 0.257 965 P C 0.769 178.031 177.300 -0.064 0.000 1.359 965 P CA 1.569 64.636 63.100 -0.056 0.000 1.239 965 P CB -0.175 31.511 31.700 -0.022 0.000 1.549 966 G N 3.316 112.065 108.800 -0.085 0.000 2.617 966 G HA2 -0.248 3.696 3.960 -0.027 0.000 0.197 966 G HA3 -0.248 3.696 3.960 -0.027 0.000 0.197 966 G C 1.067 175.885 174.900 -0.136 0.000 1.017 966 G CA -0.041 45.007 45.100 -0.086 0.000 0.713 966 G HN 0.279 nan 8.290 nan 0.000 0.481 967 M N 1.735 121.232 119.600 -0.173 0.000 2.260 967 M HA -0.017 4.447 4.480 -0.027 0.000 0.261 967 M C 2.524 178.637 176.300 -0.312 0.000 1.066 967 M CA 1.916 57.087 55.300 -0.216 0.000 1.082 967 M CB -1.511 30.942 32.600 -0.246 0.000 1.388 967 M HN 0.453 nan 8.290 nan 0.000 0.419 968 G N -1.068 107.506 108.800 -0.377 0.000 2.527 968 G HA2 0.013 3.957 3.960 -0.027 0.000 0.219 968 G HA3 0.013 3.957 3.960 -0.027 0.000 0.219 968 G C 1.446 176.027 174.900 -0.530 0.000 1.117 968 G CA 1.076 45.762 45.100 -0.691 0.000 0.759 968 G HN 0.432 nan 8.290 nan 0.000 0.556 969 V N -0.601 119.140 119.914 -0.288 0.000 3.058 969 V HA 0.286 4.390 4.120 -0.027 0.000 0.233 969 V C 2.814 178.811 176.094 -0.162 0.000 1.255 969 V CA 0.820 63.011 62.300 -0.181 0.000 1.267 969 V CB -0.242 31.524 31.823 -0.095 0.000 1.049 969 V HN 0.275 nan 8.190 nan 0.000 0.486 970 A N -0.307 122.429 122.820 -0.140 0.000 2.015 970 A HA 0.065 4.369 4.320 -0.027 0.000 0.219 970 A C 1.825 179.337 177.584 -0.121 0.000 1.163 970 A CA 1.571 53.549 52.037 -0.098 0.000 0.646 970 A CB -0.204 18.756 19.000 -0.066 0.000 0.806 970 A HN 0.484 nan 8.150 nan 0.000 0.448 971 L N -2.809 118.300 121.223 -0.190 0.000 3.410 971 L HA 0.247 4.570 4.340 -0.027 0.000 0.309 971 L C 0.154 176.842 176.870 -0.303 0.000 1.254 971 L CA -0.359 54.355 54.840 -0.211 0.000 1.048 971 L CB 0.371 42.316 42.059 -0.191 0.000 1.442 971 L HN 0.303 nan 8.230 nan 0.000 0.615 972 R N 0.854 121.124 120.500 -0.383 0.000 3.502 972 R HA -0.162 4.162 4.340 -0.027 0.000 0.266 972 R C -0.266 175.775 176.300 -0.432 0.000 1.077 972 R CA 0.640 56.435 56.100 -0.509 0.000 0.718 972 R CB -0.942 28.899 30.300 -0.765 0.000 1.120 972 R HN 0.243 nan 8.270 nan 0.000 0.457 973 M N 0.898 120.215 119.600 -0.471 0.000 2.129 973 M HA 0.289 4.753 4.480 -0.027 0.000 0.348 973 M C -0.296 175.747 176.300 -0.428 0.000 1.116 973 M CA -0.093 55.004 55.300 -0.337 0.000 1.022 973 M CB 0.859 33.264 32.600 -0.325 0.000 1.599 973 M HN -0.057 nan 8.290 nan 0.000 0.449 974 Y N 3.391 123.667 120.300 -0.041 0.000 2.487 974 Y HA 0.522 5.056 4.550 -0.027 0.000 0.337 974 Y C -1.834 174.071 175.900 0.009 0.000 1.076 974 Y CA -2.139 55.966 58.100 0.009 0.000 1.115 974 Y CB 0.680 39.180 38.460 0.066 0.000 1.235 974 Y HN 0.491 nan 8.280 nan 0.000 0.468 975 P HA 0.086 nan 4.420 nan 0.000 0.270 975 P C -0.943 176.565 177.300 0.347 0.000 1.223 975 P CA 0.195 63.401 63.100 0.176 0.000 0.785 975 P CB 1.017 32.979 31.700 0.437 0.000 0.923 976 L N 1.202 122.699 121.223 0.457 0.000 2.346 976 L HA 0.425 4.749 4.340 -0.027 0.000 0.276 976 L C 0.870 178.046 176.870 0.510 0.000 1.006 976 L CA -1.070 54.224 54.840 0.758 0.000 0.817 976 L CB 1.722 44.319 42.059 0.897 0.000 1.272 976 L HN 0.292 nan 8.230 nan 0.000 0.421 977 K N 2.706 123.055 120.400 -0.086 0.000 2.258 977 K HA 0.136 4.439 4.320 -0.027 0.000 0.264 977 K C -1.568 174.742 176.600 -0.484 0.000 1.007 977 K CA -1.291 54.622 56.287 -0.624 0.000 0.941 977 K CB 0.867 32.538 32.500 -1.381 0.000 0.966 977 K HN 0.229 nan 8.250 nan 0.000 0.480 978 P HA -0.295 nan 4.420 nan 0.000 0.216 978 P C 1.210 178.266 177.300 -0.406 0.000 1.167 978 P CA 1.717 64.557 63.100 -0.434 0.000 0.933 978 P CB -0.053 31.399 31.700 -0.414 0.000 0.793 979 T N -2.804 111.486 114.554 -0.440 0.000 3.052 979 T HA -0.166 4.168 4.350 -0.027 0.000 0.270 979 T C 1.418 176.271 174.700 0.256 0.000 1.147 979 T CA 0.941 62.895 62.100 -0.243 0.000 1.089 979 T CB -0.909 67.826 68.868 -0.221 0.000 0.875 979 T HN 0.221 nan 8.240 nan 0.000 0.541 980 W N -0.608 120.765 121.300 0.121 0.000 2.408 980 W HA 0.030 4.674 4.660 -0.027 0.000 0.311 980 W C 1.855 178.652 176.519 0.462 0.000 1.190 980 W CA -0.237 57.279 57.345 0.283 0.000 1.321 980 W CB -0.292 29.382 29.460 0.357 0.000 1.143 980 W HN 0.316 nan 8.180 nan 0.000 0.501 981 W N -0.346 121.246 121.300 0.486 0.000 2.342 981 W HA -0.129 4.514 4.660 -0.027 0.000 0.297 981 W C 1.584 178.328 176.519 0.375 0.000 1.213 981 W CA 0.610 58.213 57.345 0.430 0.000 1.251 981 W CB -1.573 28.170 29.460 0.473 0.000 1.136 981 W HN -0.165 nan 8.180 nan 0.000 0.526 982 F N -0.423 119.606 119.950 0.132 0.000 2.754 982 F HA 0.042 4.552 4.527 -0.027 0.000 0.303 982 F C 1.732 177.614 175.800 0.136 0.000 1.196 982 F CA -0.602 57.265 58.000 -0.221 0.000 1.416 982 F CB -1.455 37.336 39.000 -0.349 0.000 1.092 982 F HN -0.138 nan 8.300 nan 0.000 0.541 983 C N -0.348 119.215 119.300 0.439 0.000 2.467 983 C HA 0.097 4.540 4.460 -0.027 0.000 0.279 983 C C 2.867 178.169 174.990 0.520 0.000 1.347 983 C CA 1.041 60.340 59.018 0.469 0.000 1.748 983 C CB -1.169 26.760 27.740 0.314 0.000 1.977 983 C HN 0.531 nan 8.230 nan 0.000 0.501 984 A N -0.707 122.341 122.820 0.379 0.000 2.081 984 A HA 0.165 4.468 4.320 -0.027 0.000 0.214 984 A C 1.705 179.473 177.584 0.306 0.000 1.158 984 A CA 0.321 52.528 52.037 0.283 0.000 0.724 984 A CB -0.681 18.338 19.000 0.033 0.000 0.826 984 A HN 0.480 nan 8.150 nan 0.000 0.463 985 F N 0.852 120.836 119.950 0.057 0.000 2.039 985 F HA -0.262 4.249 4.527 -0.027 0.000 0.296 985 F C -0.191 175.619 175.800 0.017 0.000 1.119 985 F CA 2.503 60.511 58.000 0.013 0.000 1.211 985 F CB -1.295 37.718 39.000 0.022 0.000 0.956 985 F HN 0.204 nan 8.300 nan 0.000 0.496 986 P HA -0.200 nan 4.420 nan 0.000 0.218 986 P C 0.906 178.124 177.300 -0.136 0.000 1.146 986 P CA 1.716 64.793 63.100 -0.038 0.000 0.813 986 P CB -0.245 31.337 31.700 -0.197 0.000 0.778 987 Y N -1.162 119.127 120.300 -0.019 0.000 2.201 987 Y HA -0.078 4.456 4.550 -0.027 0.000 0.292 987 Y C 2.920 178.806 175.900 -0.025 0.000 1.119 987 Y CA 1.338 59.413 58.100 -0.041 0.000 1.127 987 Y CB -0.877 37.546 38.460 -0.062 0.000 1.019 987 Y HN -0.096 nan 8.280 nan 0.000 0.514 988 S N 0.567 116.332 115.700 0.108 0.000 2.365 988 S HA -0.256 4.198 4.470 -0.027 0.000 0.225 988 S C 2.089 176.729 174.600 0.066 0.000 1.039 988 S CA 1.710 59.923 58.200 0.021 0.000 1.033 988 S CB -0.691 62.430 63.200 -0.132 0.000 0.887 988 S HN 0.486 nan 8.310 nan 0.000 0.447 989 L N 0.976 122.217 121.223 0.030 0.000 2.141 989 L HA 0.032 4.356 4.340 -0.027 0.000 0.209 989 L C 2.318 179.283 176.870 0.158 0.000 1.094 989 L CA 1.424 56.303 54.840 0.065 0.000 0.763 989 L CB -0.340 41.723 42.059 0.007 0.000 0.908 989 L HN 0.489 nan 8.230 nan 0.000 0.437 990 L N -0.084 121.211 121.223 0.119 0.000 1.989 990 L HA -0.273 4.050 4.340 -0.027 0.000 0.211 990 L C 2.448 179.443 176.870 0.209 0.000 1.071 990 L CA 1.913 56.836 54.840 0.139 0.000 0.749 990 L CB -0.300 41.813 42.059 0.090 0.000 0.890 990 L HN 0.270 nan 8.230 nan 0.000 0.431 991 I N -0.641 120.051 120.570 0.203 0.000 2.053 991 I HA -0.400 3.754 4.170 -0.027 0.000 0.236 991 I C 2.434 178.705 176.117 0.257 0.000 1.038 991 I CA 2.114 63.549 61.300 0.225 0.000 1.304 991 I CB -0.737 37.366 38.000 0.172 0.000 1.023 991 I HN 0.344 nan 8.210 nan 0.000 0.395 992 F N 1.507 121.523 119.950 0.111 0.000 2.079 992 F HA -0.344 4.167 4.527 -0.027 0.000 0.296 992 F C 2.311 178.177 175.800 0.110 0.000 1.084 992 F CA 2.329 60.388 58.000 0.098 0.000 1.236 992 F CB -0.592 38.453 39.000 0.075 0.000 0.984 992 F HN -0.173 nan 8.300 nan 0.000 0.488 993 V N -0.539 119.565 119.914 0.316 0.000 2.244 993 V HA -0.306 3.798 4.120 -0.027 0.000 0.244 993 V C 2.040 178.189 176.094 0.091 0.000 1.042 993 V CA 2.085 64.505 62.300 0.200 0.000 1.006 993 V CB -1.279 30.702 31.823 0.262 0.000 0.641 993 V HN 0.582 nan 8.190 nan 0.000 0.446 994 Y N 1.493 121.821 120.300 0.047 0.000 2.181 994 Y HA -0.331 4.203 4.550 -0.027 0.000 0.284 994 Y C 2.166 178.064 175.900 -0.003 0.000 1.179 994 Y CA 2.321 60.438 58.100 0.028 0.000 1.179 994 Y CB -0.452 38.035 38.460 0.044 0.000 0.973 994 Y HN 0.404 nan 8.280 nan 0.000 0.519 995 D N -0.784 119.503 120.400 -0.188 0.000 2.162 995 D HA -0.098 4.526 4.640 -0.027 0.000 0.205 995 D C 2.049 178.196 176.300 -0.254 0.000 0.964 995 D CA 1.120 54.951 54.000 -0.280 0.000 0.847 995 D CB -0.126 40.607 40.800 -0.111 0.000 0.988 995 D HN 0.356 nan 8.370 nan 0.000 0.480 996 E N -0.225 119.809 120.200 -0.278 0.000 2.085 996 E HA -0.117 4.217 4.350 -0.027 0.000 0.194 996 E C 2.059 178.572 176.600 -0.145 0.000 0.994 996 E CA 0.719 56.974 56.400 -0.240 0.000 0.801 996 E CB -0.314 29.188 29.700 -0.330 0.000 0.743 996 E HN 0.103 nan 8.360 nan 0.000 0.453 997 V N 0.909 120.746 119.914 -0.129 0.000 2.261 997 V HA -0.281 3.823 4.120 -0.027 0.000 0.246 997 V C 2.604 178.614 176.094 -0.139 0.000 1.047 997 V CA 2.256 64.498 62.300 -0.095 0.000 1.015 997 V CB -0.626 31.171 31.823 -0.044 0.000 0.642 997 V HN 0.345 nan 8.190 nan 0.000 0.446 998 R N 0.454 120.805 120.500 -0.248 0.000 2.103 998 R HA -0.243 4.080 4.340 -0.027 0.000 0.242 998 R C 2.286 178.489 176.300 -0.162 0.000 1.142 998 R CA 2.119 58.059 56.100 -0.266 0.000 0.960 998 R CB -0.288 29.734 30.300 -0.464 0.000 0.858 998 R HN 0.483 nan 8.270 nan 0.000 0.439 999 K N 0.702 121.022 120.400 -0.133 0.000 2.097 999 K HA -0.089 4.214 4.320 -0.027 0.000 0.205 999 K C 2.124 178.682 176.600 -0.070 0.000 1.050 999 K CA 0.928 57.172 56.287 -0.072 0.000 0.938 999 K CB -0.314 32.154 32.500 -0.052 0.000 0.718 999 K HN 0.234 nan 8.250 nan 0.000 0.442 1000 L N 1.810 122.989 121.223 -0.074 0.000 2.079 1000 L HA -0.187 4.136 4.340 -0.027 0.000 0.210 1000 L C 1.893 178.725 176.870 -0.063 0.000 1.081 1000 L CA 1.689 56.492 54.840 -0.060 0.000 0.752 1000 L CB -0.498 41.527 42.059 -0.056 0.000 0.896 1000 L HN 0.149 nan 8.230 nan 0.000 0.433 1001 I N 0.062 120.588 120.570 -0.075 0.000 2.286 1001 I HA -0.272 3.882 4.170 -0.027 0.000 0.245 1001 I C 2.741 178.805 176.117 -0.088 0.000 1.104 1001 I CA 1.067 62.324 61.300 -0.072 0.000 1.397 1001 I CB -0.711 37.242 38.000 -0.078 0.000 1.072 1001 I HN 0.245 nan 8.210 nan 0.000 0.417 1002 I N 0.655 121.159 120.570 -0.109 0.000 2.208 1002 I HA -0.334 3.819 4.170 -0.027 0.000 0.245 1002 I C 2.796 178.826 176.117 -0.145 0.000 1.097 1002 I CA 1.357 62.570 61.300 -0.145 0.000 1.363 1002 I CB -0.262 37.646 38.000 -0.153 0.000 1.051 1002 I HN 0.221 nan 8.210 nan 0.000 0.413 1003 R N 0.061 120.497 120.500 -0.106 0.000 2.070 1003 R HA -0.143 4.181 4.340 -0.027 0.000 0.233 1003 R C 2.479 178.737 176.300 -0.070 0.000 1.137 1003 R CA 1.286 57.334 56.100 -0.087 0.000 0.945 1003 R CB -0.447 29.818 30.300 -0.058 0.000 0.845 1003 R HN 0.312 nan 8.270 nan 0.000 0.430 1004 R N 0.476 120.942 120.500 -0.056 0.000 2.073 1004 R HA -0.028 4.296 4.340 -0.027 0.000 0.234 1004 R C 0.687 176.964 176.300 -0.038 0.000 1.134 1004 R CA 1.190 57.266 56.100 -0.040 0.000 0.952 1004 R CB 0.081 30.363 30.300 -0.030 0.000 0.850 1004 R HN 0.049 nan 8.270 nan 0.000 0.433 1005 R N 1.137 121.610 120.500 -0.045 0.000 2.575 1005 R HA 0.189 4.513 4.340 -0.027 0.000 0.281 1005 R C -2.258 174.006 176.300 -0.061 0.000 1.272 1005 R CA -1.480 54.599 56.100 -0.035 0.000 1.417 1005 R CB 1.372 31.666 30.300 -0.010 0.000 1.121 1005 R HN 0.124 nan 8.270 nan 0.000 0.583 1006 P HA 0.077 nan 4.420 nan 0.000 0.225 1006 P C 0.461 177.725 177.300 -0.059 0.000 1.768 1006 P CA 0.098 63.139 63.100 -0.097 0.000 0.943 1006 P CB 0.736 32.382 31.700 -0.090 0.000 1.936 1007 G N 0.688 109.466 108.800 -0.036 0.000 2.535 1007 G HA2 0.483 4.427 3.960 -0.027 0.000 0.210 1007 G HA3 0.483 4.427 3.960 -0.027 0.000 0.210 1007 G C 0.302 175.205 174.900 0.005 0.000 1.593 1007 G CA 0.434 45.535 45.100 0.002 0.000 0.948 1007 G HN 0.594 nan 8.290 nan 0.000 0.476 1008 G N -2.677 106.142 108.800 0.032 0.000 2.338 1008 G HA2 0.273 4.216 3.960 -0.027 0.000 0.295 1008 G HA3 0.273 4.216 3.960 -0.027 0.000 0.295 1008 G C -0.153 174.819 174.900 0.120 0.000 1.461 1008 G CA 0.157 45.297 45.100 0.067 0.000 0.817 1008 G HN 0.724 nan 8.290 nan 0.000 0.556 1009 W N 1.285 122.595 121.300 0.016 0.000 3.077 1009 W HA 0.200 4.844 4.660 -0.028 0.000 0.245 1009 W C -0.166 176.373 176.519 0.033 0.000 1.316 1009 W CA 0.737 58.098 57.345 0.026 0.000 1.537 1009 W CB 0.007 29.481 29.460 0.023 0.000 1.131 1009 W HN 0.198 nan 8.180 nan 0.000 0.695 1010 V N 0.830 120.511 119.914 -0.389 0.000 2.922 1010 V HA -0.116 3.988 4.120 -0.027 0.000 0.242 1010 V C 2.260 178.201 176.094 -0.255 0.000 1.094 1010 V CA 2.075 64.075 62.300 -0.501 0.000 1.106 1010 V CB 0.129 31.768 31.823 -0.306 0.000 0.799 1010 V HN 0.176 nan 8.190 nan 0.000 0.474 1011 E N 0.780 120.900 120.200 -0.133 0.000 2.099 1011 E HA -0.064 4.269 4.350 -0.027 0.000 0.191 1011 E C 1.706 178.360 176.600 0.089 0.000 0.962 1011 E CA 0.380 56.758 56.400 -0.037 0.000 0.826 1011 E CB 0.094 29.678 29.700 -0.193 0.000 0.788 1011 E HN 0.451 nan 8.360 nan 0.000 0.461 1012 K N 0.336 120.771 120.400 0.058 0.000 2.551 1012 K HA 0.012 4.316 4.320 -0.027 0.000 0.192 1012 K C 1.182 177.839 176.600 0.095 0.000 1.027 1012 K CA 0.284 56.633 56.287 0.103 0.000 1.059 1012 K CB 0.351 32.911 32.500 0.101 0.000 0.831 1012 K HN 0.157 nan 8.250 nan 0.000 0.508 1013 E N -0.711 119.510 120.200 0.034 0.000 2.399 1013 E HA 0.019 4.353 4.350 -0.027 0.000 0.206 1013 E C 1.228 177.808 176.600 -0.034 0.000 0.812 1013 E CA 0.997 57.402 56.400 0.009 0.000 1.138 1013 E CB 0.951 30.604 29.700 -0.080 0.000 1.140 1013 E HN 0.238 nan 8.360 nan 0.000 0.536 1014 T N -1.384 113.137 114.554 -0.055 0.000 2.964 1014 T HA 0.053 4.386 4.350 -0.027 0.000 0.249 1014 T C 0.687 175.435 174.700 0.079 0.000 1.000 1014 T CA -0.297 61.778 62.100 -0.041 0.000 0.992 1014 T CB -0.179 68.630 68.868 -0.100 0.000 1.087 1014 T HN -0.018 nan 8.240 nan 0.000 0.489 1015 Y N 4.118 124.429 120.300 0.018 0.000 2.730 1015 Y HA 0.288 4.822 4.550 -0.027 0.000 0.357 1015 Y C -0.088 175.940 175.900 0.214 0.000 1.167 1015 Y CA -2.191 55.991 58.100 0.136 0.000 1.579 1015 Y CB -1.302 37.194 38.460 0.060 0.000 1.262 1015 Y HN 0.102 nan 8.280 nan 0.000 0.510 1016 Y N 0.000 120.157 120.300 -0.238 0.000 2.660 1016 Y HA 0.000 4.533 4.550 -0.028 0.000 0.201 1016 Y CA 0.000 57.974 58.100 -0.210 0.000 1.940 1016 Y CB 0.000 38.323 38.460 -0.228 0.000 1.050 1016 Y HN 0.000 nan 8.280 nan 0.000 0.758