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 2npp_1_D DATA FIRST_RESID 8 DATA SEQUENCE DSLYPIAVLI DELRNEDVQL RLNSIKKLST IALALGVERT RSELLPFLTD DATA SEQUENCE TIYDEDEVLL ALAEQLGTFT TLVGGPEYVH CLLPPLESLA TVEETVVRDK DATA SEQUENCE AVESLRAISH EHSPSDLEAH FVPLVKRLAG GDWFTSRTSA CGLFSVCYPR DATA SEQUENCE VSSAVKAELR QYFRNLCSDD TPMVRRAAAS KLGEFAKVLE LDNVKSEIIP DATA SEQUENCE MFSNLASDEQ DSVRLLAVEA CVNIAQLLPQ EDLEALVMPT LRQAAEDKSW DATA SEQUENCE RVRYMVADKF TELQKAVGPE ITKTDLVPAF QNLMKDCEAE VRAAASHKVK DATA SEQUENCE EFCENLSADC RENVIMSQIL PCIKELVSDA NQHVKSALAS VIMGLSPILG DATA SEQUENCE KDNTIEHLLP LFLAQLKDEC PEVRLNIISN LDCVNEVIGI RQLSQSLLPA DATA SEQUENCE IVELAEDAKW RVRLAIIEYM PLLAGQLGVE FFDEKLNSLC MAWLVDHVYA DATA SEQUENCE IREAATSNLK KLVEKFGKEW AHATIIPKVL AMSGDPNYLH RMTTLFCINV DATA SEQUENCE LSEVCGQDIT TKHMLPTVLR MAGDPVANVR FNVAKSLQKI GPILDNSTLQ DATA SEQUENCE SEVKPILEKL TQDQDVDVKY FAQEALTVLS LA 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 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.311 176.300 0.019 0.000 2.045 8 D CA 0.000 54.007 54.000 0.012 0.000 0.868 8 D CB 0.000 40.810 40.800 0.016 0.000 0.688 9 S N 0.223 115.940 115.700 0.029 0.000 2.568 9 S HA 0.621 5.066 4.470 -0.042 0.000 0.293 9 S C -0.672 173.926 174.600 -0.004 0.000 1.089 9 S CA -0.619 57.606 58.200 0.041 0.000 0.945 9 S CB 1.905 65.198 63.200 0.155 0.000 1.077 9 S HN 0.090 nan 8.310 nan 0.000 0.485 10 L N 4.117 125.286 121.223 -0.090 0.000 3.066 10 L HA 0.501 4.816 4.340 -0.042 0.000 0.265 10 L C 0.099 176.893 176.870 -0.126 0.000 1.232 10 L CA 0.110 54.885 54.840 -0.109 0.000 1.031 10 L CB -0.460 41.507 42.059 -0.153 0.000 1.379 10 L HN 0.877 nan 8.230 nan 0.000 0.563 11 Y N 0.978 121.270 120.300 -0.013 0.000 2.114 11 Y HA -0.032 4.493 4.550 -0.042 0.000 0.284 11 Y C -0.235 175.658 175.900 -0.012 0.000 1.119 11 Y CA 1.722 59.815 58.100 -0.013 0.000 1.108 11 Y CB -1.348 37.106 38.460 -0.010 0.000 0.995 11 Y HN 0.204 nan 8.280 nan 0.000 0.491 12 P HA -0.270 nan 4.420 nan 0.000 0.217 12 P C 1.423 178.757 177.300 0.056 0.000 1.162 12 P CA 2.079 65.233 63.100 0.089 0.000 0.901 12 P CB -0.218 31.519 31.700 0.062 0.000 0.793 13 I N -0.635 119.956 120.570 0.034 0.000 2.567 13 I HA -0.202 3.943 4.170 -0.042 0.000 0.257 13 I C 2.515 178.636 176.117 0.006 0.000 1.184 13 I CA 1.285 62.591 61.300 0.011 0.000 1.451 13 I CB -0.690 37.304 38.000 -0.010 0.000 1.089 13 I HN -0.056 nan 8.210 nan 0.000 0.441 14 A N 0.382 123.212 122.820 0.016 0.000 2.014 14 A HA -0.054 4.241 4.320 -0.042 0.000 0.218 14 A C 2.362 179.964 177.584 0.030 0.000 1.163 14 A CA 1.005 53.048 52.037 0.010 0.000 0.652 14 A CB -0.484 18.523 19.000 0.012 0.000 0.808 14 A HN 0.245 nan 8.150 nan 0.000 0.449 15 V N 0.215 120.161 119.914 0.053 0.000 2.323 15 V HA -0.205 3.889 4.120 -0.042 0.000 0.244 15 V C 2.508 178.617 176.094 0.026 0.000 1.041 15 V CA 1.610 63.937 62.300 0.044 0.000 1.025 15 V CB -0.940 30.912 31.823 0.048 0.000 0.656 15 V HN 0.548 nan 8.190 nan 0.000 0.451 16 L N -0.080 121.159 121.223 0.025 0.000 1.990 16 L HA -0.241 4.073 4.340 -0.042 0.000 0.213 16 L C 2.446 179.325 176.870 0.014 0.000 1.072 16 L CA 2.022 56.877 54.840 0.026 0.000 0.755 16 L CB -0.732 41.343 42.059 0.027 0.000 0.889 16 L HN 0.261 nan 8.230 nan 0.000 0.432 17 I N -0.301 120.263 120.570 -0.009 0.000 2.502 17 I HA -0.303 3.842 4.170 -0.042 0.000 0.258 17 I C 2.001 178.071 176.117 -0.079 0.000 1.172 17 I CA 1.198 62.465 61.300 -0.055 0.000 1.430 17 I CB -0.425 37.532 38.000 -0.072 0.000 1.086 17 I HN 0.337 nan 8.210 nan 0.000 0.440 18 D N 1.065 121.445 120.400 -0.033 0.000 2.149 18 D HA -0.115 4.500 4.640 -0.042 0.000 0.206 18 D C 1.765 178.068 176.300 0.005 0.000 0.967 18 D CA 0.968 54.953 54.000 -0.025 0.000 0.848 18 D CB 0.050 40.849 40.800 -0.001 0.000 0.998 18 D HN 0.268 nan 8.370 nan 0.000 0.474 19 E N 0.096 120.314 120.200 0.029 0.000 2.505 19 E HA -0.012 4.312 4.350 -0.042 0.000 0.197 19 E C 1.265 177.925 176.600 0.101 0.000 1.111 19 E CA -0.171 56.263 56.400 0.056 0.000 0.887 19 E CB 0.077 29.806 29.700 0.049 0.000 0.913 19 E HN 0.386 nan 8.360 nan 0.000 0.517 20 L N 1.002 122.292 121.223 0.111 0.000 2.610 20 L HA 0.014 4.329 4.340 -0.042 0.000 0.232 20 L C 1.417 178.522 176.870 0.391 0.000 1.149 20 L CA 0.602 55.593 54.840 0.251 0.000 0.872 20 L CB -0.038 42.145 42.059 0.207 0.000 0.992 20 L HN 0.191 nan 8.230 nan 0.000 0.447 21 R N -2.823 117.815 120.500 0.229 0.000 2.534 21 R HA 0.078 4.393 4.340 -0.042 0.000 0.438 21 R C 0.559 176.922 176.300 0.104 0.000 0.913 21 R CA -0.129 56.089 56.100 0.196 0.000 1.130 21 R CB -0.804 29.618 30.300 0.204 0.000 1.611 21 R HN -0.089 nan 8.270 nan 0.000 0.571 22 N N 2.789 121.548 118.700 0.098 0.000 2.571 22 N HA -0.163 4.552 4.740 -0.042 0.000 0.189 22 N C 0.077 175.618 175.510 0.052 0.000 1.154 22 N CA 0.760 53.848 53.050 0.063 0.000 0.907 22 N CB -0.019 38.503 38.487 0.058 0.000 0.977 22 N HN 0.479 nan 8.380 nan 0.000 0.449 23 E N -0.012 120.222 120.200 0.056 0.000 2.269 23 E HA -0.270 4.055 4.350 -0.042 0.000 0.223 23 E C -1.254 175.368 176.600 0.037 0.000 1.244 23 E CA 0.735 57.156 56.400 0.036 0.000 0.713 23 E CB -1.421 28.288 29.700 0.016 0.000 1.178 23 E HN 0.478 nan 8.360 nan 0.000 0.370 24 D N -0.108 120.322 120.400 0.050 0.000 3.118 24 D HA 0.120 4.734 4.640 -0.042 0.000 0.286 24 D C 1.117 177.445 176.300 0.048 0.000 1.255 24 D CA 0.233 54.257 54.000 0.040 0.000 0.748 24 D CB 0.275 41.095 40.800 0.034 0.000 1.332 24 D HN 0.003 nan 8.370 nan 0.000 0.575 25 V N 1.429 121.375 119.914 0.054 0.000 2.408 25 V HA -0.482 3.612 4.120 -0.042 0.000 0.232 25 V C 2.465 178.585 176.094 0.044 0.000 1.032 25 V CA 2.889 65.223 62.300 0.055 0.000 1.099 25 V CB -1.443 30.404 31.823 0.040 0.000 0.912 25 V HN 0.603 nan 8.190 nan 0.000 0.483 26 Q N -0.509 119.310 119.800 0.031 0.000 2.146 26 Q HA -0.274 4.041 4.340 -0.042 0.000 0.217 26 Q C 1.835 177.853 176.000 0.029 0.000 1.023 26 Q CA 3.009 58.827 55.803 0.025 0.000 0.903 26 Q CB -0.508 28.243 28.738 0.021 0.000 0.990 26 Q HN 0.724 nan 8.270 nan 0.000 0.413 27 L N -0.933 120.312 121.223 0.036 0.000 2.034 27 L HA -0.038 4.277 4.340 -0.042 0.000 0.203 27 L C 2.746 179.649 176.870 0.055 0.000 1.074 27 L CA 1.321 56.186 54.840 0.041 0.000 0.748 27 L CB -0.578 41.506 42.059 0.041 0.000 0.905 27 L HN 0.278 nan 8.230 nan 0.000 0.439 28 R N 0.305 120.852 120.500 0.078 0.000 2.154 28 R HA -0.253 4.061 4.340 -0.042 0.000 0.248 28 R C 2.269 178.613 176.300 0.074 0.000 1.155 28 R CA 1.618 57.787 56.100 0.116 0.000 0.979 28 R CB -0.286 30.120 30.300 0.177 0.000 0.869 28 R HN 0.199 nan 8.270 nan 0.000 0.452 29 L N 1.331 122.580 121.223 0.043 0.000 2.005 29 L HA -0.195 4.120 4.340 -0.042 0.000 0.207 29 L C 2.096 178.971 176.870 0.007 0.000 1.072 29 L CA 2.011 56.854 54.840 0.005 0.000 0.744 29 L CB -0.842 41.220 42.059 0.005 0.000 0.895 29 L HN 0.271 nan 8.230 nan 0.000 0.433 30 N N -1.101 117.612 118.700 0.020 0.000 2.049 30 N HA -0.269 4.446 4.740 -0.042 0.000 0.198 30 N C 1.796 177.322 175.510 0.028 0.000 1.030 30 N CA 2.020 55.083 53.050 0.022 0.000 0.870 30 N CB -0.038 38.465 38.487 0.026 0.000 1.045 30 N HN 0.425 nan 8.380 nan 0.000 0.434 31 S N 0.911 116.635 115.700 0.041 0.000 2.359 31 S HA -0.125 4.320 4.470 -0.042 0.000 0.223 31 S C 2.056 176.685 174.600 0.047 0.000 1.039 31 S CA 0.969 59.200 58.200 0.052 0.000 1.042 31 S CB -0.251 62.995 63.200 0.076 0.000 0.915 31 S HN 0.331 nan 8.310 nan 0.000 0.439 32 I N 1.839 122.421 120.570 0.019 0.000 2.208 32 I HA -0.158 3.987 4.170 -0.042 0.000 0.245 32 I C 2.054 178.166 176.117 -0.009 0.000 1.097 32 I CA 1.485 62.769 61.300 -0.025 0.000 1.363 32 I CB -1.024 36.896 38.000 -0.133 0.000 1.051 32 I HN 0.333 nan 8.210 nan 0.000 0.413 33 K N 0.652 121.050 120.400 -0.005 0.000 2.442 33 K HA -0.110 4.185 4.320 -0.042 0.000 0.198 33 K C 1.330 177.951 176.600 0.035 0.000 1.042 33 K CA 0.712 57.003 56.287 0.008 0.000 0.958 33 K CB 0.007 32.509 32.500 0.004 0.000 0.766 33 K HN 0.347 nan 8.250 nan 0.000 0.474 34 K N 0.343 120.771 120.400 0.046 0.000 2.414 34 K HA 0.093 4.387 4.320 -0.042 0.000 0.204 34 K C 1.137 177.792 176.600 0.091 0.000 1.026 34 K CA -0.189 56.132 56.287 0.057 0.000 1.108 34 K CB 0.364 32.888 32.500 0.040 0.000 0.855 34 K HN -0.076 nan 8.250 nan 0.000 0.517 35 L N 1.551 122.853 121.223 0.132 0.000 2.089 35 L HA -0.281 4.034 4.340 -0.042 0.000 0.213 35 L C 1.940 179.004 176.870 0.323 0.000 1.079 35 L CA 1.987 56.971 54.840 0.241 0.000 0.758 35 L CB -0.469 41.740 42.059 0.251 0.000 0.891 35 L HN 0.193 nan 8.230 nan 0.000 0.433 36 S N -2.827 113.044 115.700 0.286 0.000 2.419 36 S HA -0.220 4.225 4.470 -0.042 0.000 0.235 36 S C 1.917 176.477 174.600 -0.066 0.000 1.019 36 S CA 1.495 59.740 58.200 0.075 0.000 0.982 36 S CB -1.125 62.147 63.200 0.120 0.000 0.789 36 S HN 0.693 nan 8.310 nan 0.000 0.490 37 T N -0.299 114.255 114.554 -0.001 0.000 3.044 37 T HA 0.214 4.539 4.350 -0.042 0.000 0.255 37 T C 1.578 176.260 174.700 -0.030 0.000 1.073 37 T CA 0.138 62.221 62.100 -0.029 0.000 1.125 37 T CB -0.458 68.405 68.868 -0.007 0.000 0.908 37 T HN 0.188 nan 8.240 nan 0.000 0.480 38 I N 2.910 123.484 120.570 0.006 0.000 2.076 38 I HA 0.020 4.165 4.170 -0.042 0.000 0.237 38 I C 3.095 179.193 176.117 -0.032 0.000 1.059 38 I CA 1.555 62.858 61.300 0.005 0.000 1.317 38 I CB -1.051 36.978 38.000 0.048 0.000 1.037 38 I HN 0.371 nan 8.210 nan 0.000 0.398 39 A N 0.052 122.847 122.820 -0.042 0.000 1.971 39 A HA -0.262 4.033 4.320 -0.042 0.000 0.222 39 A C 2.209 179.692 177.584 -0.169 0.000 1.182 39 A CA 2.227 54.183 52.037 -0.135 0.000 0.649 39 A CB -1.098 17.666 19.000 -0.393 0.000 0.818 39 A HN 0.434 nan 8.150 nan 0.000 0.458 40 L N -0.287 120.836 121.223 -0.166 0.000 1.950 40 L HA 0.051 4.365 4.340 -0.042 0.000 0.210 40 L C 2.556 179.367 176.870 -0.098 0.000 1.079 40 L CA 2.536 57.293 54.840 -0.139 0.000 0.754 40 L CB -1.482 40.507 42.059 -0.117 0.000 0.889 40 L HN 0.332 nan 8.230 nan 0.000 0.433 41 A N -0.994 121.780 122.820 -0.076 0.000 2.272 41 A HA -0.149 4.146 4.320 -0.042 0.000 0.213 41 A C 2.090 179.635 177.584 -0.065 0.000 1.183 41 A CA 1.637 53.635 52.037 -0.064 0.000 0.719 41 A CB -0.897 18.072 19.000 -0.053 0.000 0.771 41 A HN 0.569 nan 8.150 nan 0.000 0.484 42 L N -1.634 119.548 121.223 -0.070 0.000 2.071 42 L HA 0.441 4.756 4.340 -0.042 0.000 0.201 42 L C 1.108 177.937 176.870 -0.068 0.000 1.076 42 L CA 1.987 56.789 54.840 -0.063 0.000 0.755 42 L CB -0.272 41.755 42.059 -0.054 0.000 0.915 42 L HN 0.592 nan 8.230 nan 0.000 0.445 43 G N -2.651 106.101 108.800 -0.081 0.000 2.333 43 G HA2 0.133 4.067 3.960 -0.042 0.000 0.330 43 G HA3 0.133 4.067 3.960 -0.042 0.000 0.330 43 G C -0.095 174.744 174.900 -0.102 0.000 1.465 43 G CA -0.168 44.880 45.100 -0.085 0.000 0.996 43 G HN 0.561 nan 8.290 nan 0.000 0.655 44 V N -1.276 118.569 119.914 -0.116 0.000 2.599 44 V HA 0.243 4.338 4.120 -0.042 0.000 0.245 44 V C 2.039 178.043 176.094 -0.149 0.000 1.046 44 V CA 2.626 64.842 62.300 -0.141 0.000 1.065 44 V CB -0.010 31.718 31.823 -0.159 0.000 0.703 44 V HN 0.872 nan 8.190 nan 0.000 0.464 45 E N 0.103 120.217 120.200 -0.144 0.000 2.204 45 E HA -0.133 4.192 4.350 -0.042 0.000 0.194 45 E C 2.367 178.915 176.600 -0.087 0.000 0.989 45 E CA 1.020 57.336 56.400 -0.140 0.000 0.824 45 E CB -0.030 29.600 29.700 -0.117 0.000 0.756 45 E HN 0.514 nan 8.360 nan 0.000 0.477 46 R N -0.455 120.003 120.500 -0.070 0.000 2.093 46 R HA -0.012 4.302 4.340 -0.042 0.000 0.224 46 R C 2.293 178.578 176.300 -0.025 0.000 1.101 46 R CA 1.417 57.491 56.100 -0.044 0.000 0.979 46 R CB -0.529 29.744 30.300 -0.046 0.000 0.877 46 R HN 0.207 nan 8.270 nan 0.000 0.441 47 T N 1.207 115.741 114.554 -0.033 0.000 2.635 47 T HA -0.160 4.164 4.350 -0.042 0.000 0.267 47 T C 1.922 176.643 174.700 0.035 0.000 1.040 47 T CA 1.404 63.510 62.100 0.011 0.000 1.156 47 T CB -0.121 68.738 68.868 -0.015 0.000 0.863 47 T HN 0.299 nan 8.240 nan 0.000 0.430 48 R N 1.023 121.518 120.500 -0.008 0.000 2.073 48 R HA -0.076 4.239 4.340 -0.042 0.000 0.234 48 R C 3.017 179.331 176.300 0.025 0.000 1.134 48 R CA 1.781 57.884 56.100 0.005 0.000 0.952 48 R CB -0.451 29.820 30.300 -0.050 0.000 0.850 48 R HN 0.516 nan 8.270 nan 0.000 0.433 49 S N -0.031 115.674 115.700 0.008 0.000 2.406 49 S HA -0.058 4.386 4.470 -0.042 0.000 0.228 49 S C 1.513 176.134 174.600 0.034 0.000 1.020 49 S CA 0.792 59.003 58.200 0.019 0.000 0.965 49 S CB 0.133 63.335 63.200 0.002 0.000 0.798 49 S HN 0.353 nan 8.310 nan 0.000 0.488 50 E N 0.064 120.286 120.200 0.037 0.000 2.538 50 E HA 0.253 4.578 4.350 -0.042 0.000 0.188 50 E C 1.761 178.423 176.600 0.103 0.000 1.014 50 E CA 0.154 56.585 56.400 0.052 0.000 1.140 50 E CB -0.460 29.247 29.700 0.012 0.000 1.262 50 E HN 0.231 nan 8.360 nan 0.000 0.488 51 L N 2.286 123.569 121.223 0.100 0.000 1.951 51 L HA -0.227 4.088 4.340 -0.042 0.000 0.222 51 L C 2.246 179.254 176.870 0.230 0.000 1.078 51 L CA 1.784 56.729 54.840 0.175 0.000 0.778 51 L CB -0.804 41.359 42.059 0.173 0.000 0.893 51 L HN 0.184 nan 8.230 nan 0.000 0.436 52 L N -0.758 120.569 121.223 0.173 0.000 2.010 52 L HA -0.274 4.041 4.340 -0.042 0.000 0.219 52 L C 0.074 177.015 176.870 0.118 0.000 1.077 52 L CA 2.221 57.139 54.840 0.130 0.000 0.773 52 L CB -2.062 40.056 42.059 0.098 0.000 0.892 52 L HN 0.292 nan 8.230 nan 0.000 0.436 53 P HA -0.253 nan 4.420 nan 0.000 0.214 53 P C 1.584 178.963 177.300 0.131 0.000 1.163 53 P CA 1.518 64.679 63.100 0.102 0.000 0.889 53 P CB -0.148 31.612 31.700 0.099 0.000 0.790 54 F N 0.266 120.241 119.950 0.042 0.000 2.091 54 F HA -0.219 4.282 4.527 -0.043 0.000 0.299 54 F C 1.890 177.738 175.800 0.080 0.000 1.103 54 F CA 1.595 59.625 58.000 0.050 0.000 1.228 54 F CB -1.069 37.967 39.000 0.059 0.000 0.984 54 F HN -0.233 nan 8.300 nan 0.000 0.477 55 L N -0.614 120.642 121.223 0.055 0.000 2.083 55 L HA -0.207 4.107 4.340 -0.042 0.000 0.209 55 L C 2.350 179.183 176.870 -0.062 0.000 1.083 55 L CA 1.724 56.539 54.840 -0.042 0.000 0.752 55 L CB -1.150 40.940 42.059 0.052 0.000 0.899 55 L HN 0.164 nan 8.230 nan 0.000 0.433 56 T N -1.210 113.327 114.554 -0.029 0.000 2.857 56 T HA -0.118 4.207 4.350 -0.042 0.000 0.266 56 T C 1.046 175.712 174.700 -0.057 0.000 1.048 56 T CA 1.117 63.199 62.100 -0.029 0.000 1.139 56 T CB -0.080 68.788 68.868 -0.000 0.000 0.874 56 T HN 0.291 nan 8.240 nan 0.000 0.455 57 D N 1.135 121.484 120.400 -0.086 0.000 2.388 57 D HA 0.123 4.737 4.640 -0.042 0.000 0.221 57 D C -0.185 176.003 176.300 -0.187 0.000 1.133 57 D CA 0.251 54.191 54.000 -0.099 0.000 0.831 57 D CB 0.546 41.316 40.800 -0.050 0.000 0.962 57 D HN 0.228 nan 8.370 nan 0.000 0.502 58 T N 1.443 115.825 114.554 -0.286 0.000 2.977 58 T HA 0.363 4.688 4.350 -0.042 0.000 0.346 58 T C 0.776 175.276 174.700 -0.334 0.000 1.140 58 T CA -0.415 61.411 62.100 -0.456 0.000 1.040 58 T CB 0.846 69.176 68.868 -0.897 0.000 1.046 58 T HN -0.019 nan 8.240 nan 0.000 0.494 59 I N 4.351 124.780 120.570 -0.235 0.000 2.268 59 I HA 0.156 4.301 4.170 -0.042 0.000 0.298 59 I C -0.004 176.047 176.117 -0.111 0.000 1.185 59 I CA -0.562 60.674 61.300 -0.108 0.000 1.548 59 I CB -0.625 37.321 38.000 -0.089 0.000 1.492 59 I HN 0.540 nan 8.210 nan 0.000 0.711 60 Y N 3.240 123.472 120.300 -0.114 0.000 2.757 60 Y HA -0.117 4.407 4.550 -0.043 0.000 0.344 60 Y C 1.495 177.351 175.900 -0.072 0.000 1.263 60 Y CA 0.423 58.472 58.100 -0.084 0.000 1.493 60 Y CB 0.314 38.728 38.460 -0.076 0.000 1.342 60 Y HN 0.433 nan 8.280 nan 0.000 0.627 61 D N 0.305 120.751 120.400 0.077 0.000 2.414 61 D HA -0.018 4.597 4.640 -0.042 0.000 0.237 61 D C -0.152 176.166 176.300 0.029 0.000 0.975 61 D CA 0.513 54.527 54.000 0.023 0.000 0.917 61 D CB -0.057 40.739 40.800 -0.006 0.000 1.061 61 D HN 0.597 nan 8.370 nan 0.000 0.480 62 E N 2.437 122.664 120.200 0.045 0.000 2.966 62 E HA -0.094 4.231 4.350 -0.042 0.000 0.254 62 E C 0.635 177.240 176.600 0.008 0.000 0.923 62 E CA 0.346 56.761 56.400 0.026 0.000 0.960 62 E CB 0.418 30.141 29.700 0.038 0.000 0.901 62 E HN 0.092 nan 8.360 nan 0.000 0.525 63 D N 3.191 123.587 120.400 -0.008 0.000 2.117 63 D HA -0.189 4.426 4.640 -0.042 0.000 0.197 63 D C 1.558 177.845 176.300 -0.023 0.000 0.987 63 D CA 1.097 55.085 54.000 -0.019 0.000 0.829 63 D CB 0.089 40.877 40.800 -0.019 0.000 0.961 63 D HN 0.662 nan 8.370 nan 0.000 0.460 64 E N 0.553 120.744 120.200 -0.016 0.000 2.097 64 E HA -0.162 4.162 4.350 -0.042 0.000 0.196 64 E C 2.093 178.671 176.600 -0.037 0.000 1.000 64 E CA 0.875 57.264 56.400 -0.020 0.000 0.804 64 E CB 0.192 29.886 29.700 -0.010 0.000 0.740 64 E HN 0.002 nan 8.360 nan 0.000 0.454 65 V N 1.079 120.968 119.914 -0.042 0.000 2.270 65 V HA -0.257 3.837 4.120 -0.042 0.000 0.245 65 V C 2.468 178.479 176.094 -0.139 0.000 1.043 65 V CA 1.561 63.804 62.300 -0.094 0.000 1.014 65 V CB -0.475 31.294 31.823 -0.091 0.000 0.645 65 V HN 0.361 nan 8.190 nan 0.000 0.447 66 L N -0.528 120.633 121.223 -0.103 0.000 2.043 66 L HA -0.250 4.065 4.340 -0.042 0.000 0.212 66 L C 2.529 179.343 176.870 -0.093 0.000 1.075 66 L CA 1.466 56.243 54.840 -0.105 0.000 0.752 66 L CB -0.732 41.294 42.059 -0.055 0.000 0.891 66 L HN 0.373 nan 8.230 nan 0.000 0.432 67 L N 0.283 121.465 121.223 -0.067 0.000 2.012 67 L HA -0.208 4.106 4.340 -0.042 0.000 0.210 67 L C 2.642 179.474 176.870 -0.064 0.000 1.073 67 L CA 2.200 57.009 54.840 -0.052 0.000 0.748 67 L CB -0.807 41.231 42.059 -0.034 0.000 0.891 67 L HN 0.160 nan 8.230 nan 0.000 0.431 68 A N -0.650 122.124 122.820 -0.076 0.000 1.858 68 A HA -0.208 4.087 4.320 -0.042 0.000 0.216 68 A C 2.264 179.779 177.584 -0.114 0.000 1.190 68 A CA 1.852 53.841 52.037 -0.081 0.000 0.617 68 A CB -1.176 17.776 19.000 -0.080 0.000 0.827 68 A HN 0.506 nan 8.150 nan 0.000 0.443 69 L N -0.112 121.013 121.223 -0.164 0.000 2.081 69 L HA -0.185 4.130 4.340 -0.042 0.000 0.212 69 L C 2.599 179.366 176.870 -0.173 0.000 1.080 69 L CA 2.381 57.099 54.840 -0.204 0.000 0.754 69 L CB -0.741 41.165 42.059 -0.255 0.000 0.893 69 L HN 0.373 nan 8.230 nan 0.000 0.433 70 A N -1.087 121.658 122.820 -0.124 0.000 1.873 70 A HA -0.222 4.072 4.320 -0.042 0.000 0.215 70 A C 2.339 179.876 177.584 -0.078 0.000 1.186 70 A CA 1.523 53.504 52.037 -0.093 0.000 0.616 70 A CB -0.744 18.219 19.000 -0.062 0.000 0.823 70 A HN 0.594 nan 8.150 nan 0.000 0.442 71 E N -0.833 119.330 120.200 -0.062 0.000 2.204 71 E HA -0.261 4.064 4.350 -0.042 0.000 0.195 71 E C 2.091 178.666 176.600 -0.042 0.000 0.990 71 E CA 1.406 57.785 56.400 -0.036 0.000 0.821 71 E CB -0.031 29.657 29.700 -0.022 0.000 0.750 71 E HN 0.588 nan 8.360 nan 0.000 0.477 72 Q N 0.604 120.350 119.800 -0.090 0.000 1.994 72 Q HA -0.038 4.277 4.340 -0.042 0.000 0.198 72 Q C 2.254 178.106 176.000 -0.247 0.000 0.976 72 Q CA 1.246 56.977 55.803 -0.119 0.000 0.828 72 Q CB -0.281 28.349 28.738 -0.180 0.000 0.894 72 Q HN 0.329 nan 8.270 nan 0.000 0.432 73 L N -0.343 120.650 121.223 -0.383 0.000 2.450 73 L HA -0.116 4.199 4.340 -0.042 0.000 0.225 73 L C 1.908 178.717 176.870 -0.102 0.000 1.145 73 L CA 0.883 55.481 54.840 -0.404 0.000 0.801 73 L CB -0.683 41.209 42.059 -0.280 0.000 0.924 73 L HN 0.337 nan 8.230 nan 0.000 0.447 74 G N -0.735 108.047 108.800 -0.031 0.000 2.650 74 G HA2 -0.145 3.789 3.960 -0.042 0.000 0.214 74 G HA3 -0.145 3.789 3.960 -0.042 0.000 0.214 74 G C 1.529 176.483 174.900 0.091 0.000 1.136 74 G CA 1.015 46.140 45.100 0.042 0.000 0.789 74 G HN 0.472 nan 8.290 nan 0.000 0.536 75 T N -3.549 111.093 114.554 0.147 0.000 2.985 75 T HA 0.209 4.534 4.350 -0.042 0.000 0.254 75 T C 1.425 176.302 174.700 0.295 0.000 1.021 75 T CA -0.365 61.851 62.100 0.193 0.000 0.957 75 T CB -0.215 68.762 68.868 0.182 0.000 1.047 75 T HN -0.050 nan 8.240 nan 0.000 0.511 76 F N 3.432 123.391 119.950 0.014 0.000 2.788 76 F HA 0.169 4.670 4.527 -0.044 0.000 0.300 76 F C 2.116 177.921 175.800 0.008 0.000 1.229 76 F CA -0.409 57.596 58.000 0.008 0.000 1.446 76 F CB -1.292 37.713 39.000 0.009 0.000 1.118 76 F HN 0.226 nan 8.300 nan 0.000 0.579 77 T N -1.391 113.267 114.554 0.174 0.000 2.699 77 T HA -0.216 4.108 4.350 -0.042 0.000 0.268 77 T C 2.092 176.823 174.700 0.052 0.000 1.036 77 T CA 2.212 64.372 62.100 0.101 0.000 1.147 77 T CB -0.342 68.574 68.868 0.080 0.000 0.862 77 T HN 0.261 nan 8.240 nan 0.000 0.446 78 T N 1.982 116.547 114.554 0.020 0.000 2.781 78 T HA 0.195 4.519 4.350 -0.042 0.000 0.252 78 T C 2.011 176.668 174.700 -0.072 0.000 1.039 78 T CA 0.443 62.530 62.100 -0.022 0.000 1.147 78 T CB -0.544 68.304 68.868 -0.033 0.000 0.865 78 T HN 0.191 nan 8.240 nan 0.000 0.423 79 L N 1.249 122.385 121.223 -0.146 0.000 2.386 79 L HA -0.125 4.190 4.340 -0.042 0.000 0.220 79 L C 2.377 179.131 176.870 -0.193 0.000 1.115 79 L CA 0.753 55.432 54.840 -0.267 0.000 0.780 79 L CB -0.553 41.130 42.059 -0.627 0.000 0.902 79 L HN 0.147 nan 8.230 nan 0.000 0.442 80 V N -1.235 118.632 119.914 -0.078 0.000 3.174 80 V HA 0.226 4.320 4.120 -0.042 0.000 0.254 80 V C 1.381 177.416 176.094 -0.098 0.000 1.120 80 V CA 1.238 63.520 62.300 -0.031 0.000 1.114 80 V CB 0.700 32.566 31.823 0.072 0.000 0.756 80 V HN 0.624 nan 8.190 nan 0.000 0.467 81 G N -1.410 107.340 108.800 -0.083 0.000 2.240 81 G HA2 0.318 4.253 3.960 -0.042 0.000 0.181 81 G HA3 0.318 4.253 3.960 -0.042 0.000 0.181 81 G C 0.736 175.663 174.900 0.045 0.000 1.028 81 G CA 0.056 45.084 45.100 -0.121 0.000 0.760 81 G HN 1.662 nan 8.290 nan 0.000 0.508 82 G N -0.475 108.351 108.800 0.043 0.000 2.795 82 G HA2 0.123 4.057 3.960 -0.042 0.000 0.664 82 G HA3 0.123 4.057 3.960 -0.042 0.000 0.664 82 G C -0.958 173.986 174.900 0.074 0.000 1.381 82 G CA 0.039 45.175 45.100 0.060 0.000 0.853 82 G HN 0.411 nan 8.290 nan 0.000 0.545 83 P HA -0.091 nan 4.420 nan 0.000 0.218 83 P C 1.484 178.772 177.300 -0.019 0.000 1.146 83 P CA 1.737 64.838 63.100 0.001 0.000 0.820 83 P CB 0.101 31.808 31.700 0.011 0.000 0.778 84 E N -1.823 118.390 120.200 0.022 0.000 2.204 84 E HA -0.182 4.143 4.350 -0.042 0.000 0.195 84 E C 0.474 176.888 176.600 -0.310 0.000 0.990 84 E CA 0.959 57.307 56.400 -0.086 0.000 0.821 84 E CB -0.086 29.592 29.700 -0.036 0.000 0.750 84 E HN 0.353 nan 8.360 nan 0.000 0.477 85 Y N -1.649 118.577 120.300 -0.123 0.000 2.641 85 Y HA 0.119 4.652 4.550 -0.028 0.000 0.248 85 Y C 1.320 176.982 175.900 -0.397 0.000 1.170 85 Y CA -0.250 57.662 58.100 -0.314 0.000 1.201 85 Y CB 0.666 39.008 38.460 -0.197 0.000 1.232 85 Y HN -0.084 nan 8.280 nan 0.000 0.537 86 V N 1.071 120.879 119.914 -0.177 0.000 2.392 86 V HA -0.326 3.768 4.120 -0.042 0.000 0.249 86 V C 2.215 178.191 176.094 -0.197 0.000 1.059 86 V CA 2.751 64.953 62.300 -0.164 0.000 1.051 86 V CB -0.389 31.311 31.823 -0.205 0.000 0.658 86 V HN 0.765 nan 8.190 nan 0.000 0.455 87 H N -2.495 116.454 119.070 -0.201 0.000 2.568 87 H HA -0.064 4.474 4.556 -0.030 0.000 0.281 87 H C 1.791 177.118 175.328 -0.003 0.000 1.028 87 H CA 1.343 57.371 56.048 -0.033 0.000 1.199 87 H CB -1.458 28.299 29.762 -0.009 0.000 1.352 87 H HN 0.452 nan 8.280 nan 0.000 0.605 88 C N -0.246 118.922 119.300 -0.220 0.000 2.533 88 C HA 0.137 4.572 4.460 -0.042 0.000 0.272 88 C C 1.967 176.973 174.990 0.026 0.000 1.371 88 C CA -0.082 58.889 59.018 -0.078 0.000 1.758 88 C CB -0.780 26.911 27.740 -0.083 0.000 1.972 88 C HN 0.543 nan 8.230 nan 0.000 0.522 89 L N 0.467 121.723 121.223 0.055 0.000 2.552 89 L HA 0.075 4.389 4.340 -0.042 0.000 0.227 89 L C 2.086 179.000 176.870 0.073 0.000 1.146 89 L CA 1.218 56.098 54.840 0.066 0.000 0.858 89 L CB -0.817 41.295 42.059 0.089 0.000 0.969 89 L HN 0.335 nan 8.230 nan 0.000 0.451 90 L N -0.368 120.921 121.223 0.111 0.000 2.005 90 L HA -0.134 4.181 4.340 -0.042 0.000 0.207 90 L C 0.011 176.896 176.870 0.025 0.000 1.072 90 L CA 1.218 56.112 54.840 0.090 0.000 0.744 90 L CB -1.870 40.270 42.059 0.135 0.000 0.895 90 L HN 0.206 nan 8.230 nan 0.000 0.433 91 P HA -0.205 nan 4.420 nan 0.000 0.214 91 P C -1.347 175.943 177.300 -0.016 0.000 1.164 91 P CA 2.143 65.242 63.100 -0.001 0.000 0.942 91 P CB -1.307 30.397 31.700 0.007 0.000 0.791 92 P HA -0.172 nan 4.420 nan 0.000 0.215 92 P C 1.741 179.016 177.300 -0.042 0.000 1.157 92 P CA 1.723 64.802 63.100 -0.035 0.000 0.874 92 P CB -0.526 31.145 31.700 -0.049 0.000 0.790 93 L N -0.166 121.036 121.223 -0.035 0.000 2.012 93 L HA -0.191 4.123 4.340 -0.042 0.000 0.210 93 L C 3.023 179.868 176.870 -0.042 0.000 1.073 93 L CA 1.929 56.749 54.840 -0.033 0.000 0.748 93 L CB -1.088 40.967 42.059 -0.006 0.000 0.891 93 L HN 0.056 nan 8.230 nan 0.000 0.431 94 E N -0.198 119.972 120.200 -0.049 0.000 2.086 94 E HA -0.319 4.005 4.350 -0.042 0.000 0.200 94 E C 2.277 178.843 176.600 -0.056 0.000 1.012 94 E CA 1.940 58.298 56.400 -0.069 0.000 0.812 94 E CB -0.084 29.572 29.700 -0.073 0.000 0.743 94 E HN 0.367 nan 8.360 nan 0.000 0.453 95 S N -0.234 115.438 115.700 -0.047 0.000 2.383 95 S HA -0.087 4.357 4.470 -0.042 0.000 0.227 95 S C 2.047 176.617 174.600 -0.049 0.000 1.026 95 S CA 0.877 59.050 58.200 -0.046 0.000 0.981 95 S CB -0.300 62.876 63.200 -0.041 0.000 0.818 95 S HN 0.390 nan 8.310 nan 0.000 0.472 96 L N 1.062 122.257 121.223 -0.048 0.000 2.275 96 L HA 0.030 4.345 4.340 -0.042 0.000 0.215 96 L C 2.855 179.699 176.870 -0.044 0.000 1.119 96 L CA 0.940 55.751 54.840 -0.049 0.000 0.790 96 L CB -0.573 41.455 42.059 -0.051 0.000 0.919 96 L HN 0.474 nan 8.230 nan 0.000 0.443 97 A N -1.034 121.760 122.820 -0.043 0.000 2.168 97 A HA -0.092 4.203 4.320 -0.042 0.000 0.215 97 A C 2.102 179.663 177.584 -0.038 0.000 1.152 97 A CA 1.582 53.598 52.037 -0.035 0.000 0.716 97 A CB -0.438 18.537 19.000 -0.042 0.000 0.794 97 A HN 0.348 nan 8.150 nan 0.000 0.465 98 T N -0.566 113.957 114.554 -0.052 0.000 3.022 98 T HA 0.182 4.507 4.350 -0.042 0.000 0.250 98 T C 0.576 175.213 174.700 -0.105 0.000 1.060 98 T CA -0.081 61.979 62.100 -0.067 0.000 1.013 98 T CB -0.124 68.709 68.868 -0.059 0.000 0.982 98 T HN 0.069 nan 8.240 nan 0.000 0.508 99 V N 3.090 122.950 119.914 -0.091 0.000 2.872 99 V HA -0.107 3.987 4.120 -0.042 0.000 0.302 99 V C 1.597 177.613 176.094 -0.130 0.000 1.166 99 V CA 0.665 62.902 62.300 -0.105 0.000 1.298 99 V CB 0.379 32.159 31.823 -0.071 0.000 0.894 99 V HN 0.483 nan 8.190 nan 0.000 0.509 100 E N 2.236 122.333 120.200 -0.171 0.000 2.007 100 E HA -0.140 4.185 4.350 -0.042 0.000 0.194 100 E C 0.949 177.500 176.600 -0.082 0.000 0.999 100 E CA 0.548 56.835 56.400 -0.188 0.000 0.811 100 E CB -0.060 29.505 29.700 -0.225 0.000 0.762 100 E HN 0.686 nan 8.360 nan 0.000 0.450 101 E N 1.852 122.017 120.200 -0.058 0.000 2.924 101 E HA -0.113 4.211 4.350 -0.042 0.000 0.236 101 E C 0.957 177.554 176.600 -0.004 0.000 1.028 101 E CA 0.387 56.776 56.400 -0.019 0.000 0.952 101 E CB 0.273 29.960 29.700 -0.022 0.000 0.918 101 E HN 0.349 nan 8.360 nan 0.000 0.536 102 T N 1.202 115.772 114.554 0.026 0.000 2.565 102 T HA -0.296 4.029 4.350 -0.042 0.000 0.265 102 T C 1.915 176.629 174.700 0.023 0.000 1.082 102 T CA 1.908 64.031 62.100 0.039 0.000 1.173 102 T CB -0.698 68.209 68.868 0.064 0.000 0.864 102 T HN 0.232 nan 8.240 nan 0.000 0.425 103 V N 1.736 121.662 119.914 0.020 0.000 2.251 103 V HA -0.279 3.816 4.120 -0.042 0.000 0.259 103 V C 2.917 179.013 176.094 0.003 0.000 1.078 103 V CA 2.432 64.739 62.300 0.013 0.000 1.072 103 V CB -1.314 30.514 31.823 0.008 0.000 0.681 103 V HN 0.548 nan 8.190 nan 0.000 0.454 104 V N 1.177 121.087 119.914 -0.008 0.000 2.214 104 V HA -0.323 3.772 4.120 -0.042 0.000 0.244 104 V C 2.633 178.718 176.094 -0.016 0.000 1.045 104 V CA 2.827 65.115 62.300 -0.020 0.000 0.993 104 V CB -1.013 30.791 31.823 -0.031 0.000 0.633 104 V HN 0.749 nan 8.190 nan 0.000 0.449 105 R N 0.345 120.836 120.500 -0.016 0.000 2.170 105 R HA -0.221 4.093 4.340 -0.042 0.000 0.242 105 R C 1.722 178.027 176.300 0.008 0.000 1.145 105 R CA 2.091 58.185 56.100 -0.011 0.000 0.984 105 R CB -0.814 29.477 30.300 -0.014 0.000 0.869 105 R HN 0.458 nan 8.270 nan 0.000 0.455 106 D N 1.032 121.442 120.400 0.017 0.000 2.077 106 D HA -0.102 4.513 4.640 -0.042 0.000 0.196 106 D C 1.719 178.033 176.300 0.023 0.000 0.986 106 D CA 1.026 55.043 54.000 0.028 0.000 0.829 106 D CB -0.092 40.727 40.800 0.031 0.000 0.983 106 D HN 0.053 nan 8.370 nan 0.000 0.453 107 K N 0.894 121.301 120.400 0.012 0.000 2.044 107 K HA -0.130 4.165 4.320 -0.042 0.000 0.210 107 K C 2.026 178.631 176.600 0.008 0.000 1.049 107 K CA 1.145 57.437 56.287 0.008 0.000 0.927 107 K CB -0.733 31.762 32.500 -0.007 0.000 0.713 107 K HN 0.076 nan 8.250 nan 0.000 0.443 108 A N 0.746 123.566 122.820 -0.002 0.000 1.915 108 A HA -0.215 4.080 4.320 -0.042 0.000 0.220 108 A C 2.489 180.085 177.584 0.020 0.000 1.198 108 A CA 2.517 54.552 52.037 -0.003 0.000 0.647 108 A CB -0.890 18.100 19.000 -0.015 0.000 0.825 108 A HN 0.135 nan 8.150 nan 0.000 0.456 109 V N -0.251 119.681 119.914 0.030 0.000 2.453 109 V HA -0.229 3.866 4.120 -0.042 0.000 0.247 109 V C 2.464 178.601 176.094 0.072 0.000 1.048 109 V CA 2.103 64.435 62.300 0.053 0.000 1.049 109 V CB -0.763 31.095 31.823 0.058 0.000 0.672 109 V HN 0.775 nan 8.190 nan 0.000 0.457 110 E N 0.526 120.761 120.200 0.057 0.000 2.070 110 E HA -0.244 4.081 4.350 -0.042 0.000 0.197 110 E C 2.306 178.945 176.600 0.064 0.000 1.004 110 E CA 1.993 58.427 56.400 0.057 0.000 0.805 110 E CB -0.086 29.637 29.700 0.040 0.000 0.744 110 E HN 0.617 nan 8.360 nan 0.000 0.451 111 S N 0.809 116.543 115.700 0.057 0.000 2.343 111 S HA -0.144 4.301 4.470 -0.042 0.000 0.219 111 S C 2.061 176.726 174.600 0.109 0.000 1.033 111 S CA 1.085 59.324 58.200 0.065 0.000 1.014 111 S CB -0.445 62.779 63.200 0.040 0.000 0.915 111 S HN 0.262 nan 8.310 nan 0.000 0.435 112 L N 1.234 122.533 121.223 0.126 0.000 2.034 112 L HA -0.266 4.049 4.340 -0.042 0.000 0.217 112 L C 2.805 179.829 176.870 0.258 0.000 1.077 112 L CA 1.588 56.563 54.840 0.225 0.000 0.769 112 L CB -0.496 41.673 42.059 0.184 0.000 0.890 112 L HN 0.283 nan 8.230 nan 0.000 0.435 113 R N -0.631 119.983 120.500 0.191 0.000 2.083 113 R HA -0.180 4.134 4.340 -0.042 0.000 0.237 113 R C 2.393 178.794 176.300 0.169 0.000 1.137 113 R CA 1.398 57.600 56.100 0.169 0.000 0.951 113 R CB -0.595 29.792 30.300 0.145 0.000 0.851 113 R HN 0.418 nan 8.270 nan 0.000 0.434 114 A N 2.099 124.990 122.820 0.117 0.000 1.851 114 A HA -0.177 4.117 4.320 -0.042 0.000 0.216 114 A C 2.196 179.847 177.584 0.112 0.000 1.195 114 A CA 1.836 53.912 52.037 0.065 0.000 0.622 114 A CB -0.757 18.268 19.000 0.042 0.000 0.831 114 A HN 0.514 nan 8.150 nan 0.000 0.444 115 I N -0.952 119.705 120.570 0.145 0.000 3.444 115 I HA -0.036 4.109 4.170 -0.042 0.000 0.287 115 I C 1.999 178.261 176.117 0.242 0.000 1.302 115 I CA 1.326 62.743 61.300 0.195 0.000 1.368 115 I CB -0.340 37.794 38.000 0.223 0.000 1.048 115 I HN 0.335 nan 8.210 nan 0.000 0.487 116 S N 1.451 117.182 115.700 0.052 0.000 2.368 116 S HA -0.259 4.186 4.470 -0.042 0.000 0.225 116 S C 1.799 176.302 174.600 -0.162 0.000 1.030 116 S CA 1.526 59.462 58.200 -0.440 0.000 0.999 116 S CB -0.914 61.767 63.200 -0.864 0.000 0.844 116 S HN 0.641 nan 8.310 nan 0.000 0.459 117 H N 1.753 120.759 119.070 -0.105 0.000 2.489 117 H HA 0.178 4.710 4.556 -0.040 0.000 0.293 117 H C 1.948 177.290 175.328 0.024 0.000 1.066 117 H CA 1.376 57.398 56.048 -0.043 0.000 1.305 117 H CB -0.216 29.529 29.762 -0.027 0.000 1.386 117 H HN 0.474 nan 8.280 nan 0.000 0.551 118 E N 0.324 120.648 120.200 0.208 0.000 2.482 118 E HA -0.039 4.286 4.350 -0.042 0.000 0.196 118 E C 0.066 176.724 176.600 0.097 0.000 1.047 118 E CA 0.195 56.674 56.400 0.131 0.000 0.869 118 E CB -0.010 29.753 29.700 0.105 0.000 0.836 118 E HN 0.663 nan 8.360 nan 0.000 0.520 119 H N 1.029 120.100 119.070 0.001 0.000 2.652 119 H HA 0.125 4.652 4.556 -0.048 0.000 0.349 119 H C 0.604 175.923 175.328 -0.015 0.000 1.099 119 H CA -0.073 55.978 56.048 0.005 0.000 1.417 119 H CB 1.015 30.752 29.762 -0.042 0.000 1.457 119 H HN -0.013 nan 8.280 nan 0.000 0.568 120 S N 3.982 119.733 115.700 0.085 0.000 2.565 120 S HA 0.068 4.513 4.470 -0.042 0.000 0.274 120 S C -1.496 173.122 174.600 0.030 0.000 1.309 120 S CA -1.365 56.857 58.200 0.037 0.000 1.043 120 S CB 1.831 65.041 63.200 0.016 0.000 0.939 120 S HN 0.480 nan 8.310 nan 0.000 0.504 121 P HA -0.232 nan 4.420 nan 0.000 0.220 121 P C 1.375 178.660 177.300 -0.024 0.000 1.155 121 P CA 1.836 64.921 63.100 -0.025 0.000 0.880 121 P CB -0.350 31.328 31.700 -0.036 0.000 0.790 122 S N 0.162 115.846 115.700 -0.026 0.000 2.365 122 S HA -0.176 4.269 4.470 -0.042 0.000 0.225 122 S C 1.696 176.256 174.600 -0.067 0.000 1.039 122 S CA 1.770 59.941 58.200 -0.047 0.000 1.033 122 S CB -1.024 62.150 63.200 -0.043 0.000 0.887 122 S HN 0.239 nan 8.310 nan 0.000 0.447 123 D N 1.014 121.407 120.400 -0.012 0.000 2.234 123 D HA 0.106 4.721 4.640 -0.042 0.000 0.205 123 D C 1.901 178.277 176.300 0.128 0.000 0.962 123 D CA 0.263 54.282 54.000 0.032 0.000 0.855 123 D CB -0.223 40.683 40.800 0.176 0.000 0.951 123 D HN 0.270 nan 8.370 nan 0.000 0.500 124 L N 0.977 122.266 121.223 0.111 0.000 1.955 124 L HA -0.214 4.100 4.340 -0.042 0.000 0.213 124 L C 2.374 179.269 176.870 0.041 0.000 1.072 124 L CA 1.505 56.390 54.840 0.074 0.000 0.755 124 L CB -0.278 41.762 42.059 -0.031 0.000 0.888 124 L HN 0.015 nan 8.230 nan 0.000 0.432 125 E N -0.477 119.706 120.200 -0.029 0.000 2.085 125 E HA -0.246 4.079 4.350 -0.042 0.000 0.194 125 E C 2.130 178.661 176.600 -0.114 0.000 0.994 125 E CA 1.212 57.575 56.400 -0.061 0.000 0.801 125 E CB -0.151 29.506 29.700 -0.071 0.000 0.743 125 E HN 0.539 nan 8.360 nan 0.000 0.453 126 A N 0.317 123.006 122.820 -0.218 0.000 1.930 126 A HA -0.179 4.116 4.320 -0.042 0.000 0.217 126 A C 1.286 178.540 177.584 -0.550 0.000 1.175 126 A CA 1.814 53.575 52.037 -0.461 0.000 0.627 126 A CB -0.363 18.196 19.000 -0.735 0.000 0.815 126 A HN 0.331 nan 8.150 nan 0.000 0.443 127 H N -5.088 113.999 119.070 0.027 0.000 2.916 127 H HA 0.257 4.800 4.556 -0.021 0.000 0.229 127 H C 1.499 176.861 175.328 0.057 0.000 0.917 127 H CA 0.132 56.205 56.048 0.041 0.000 1.048 127 H CB 0.013 29.818 29.762 0.072 0.000 1.417 127 H HN 0.348 nan 8.280 nan 0.000 0.445 128 F N 1.791 121.774 119.950 0.056 0.000 2.074 128 F HA -0.150 4.348 4.527 -0.049 0.000 0.293 128 F C 2.072 177.786 175.800 -0.142 0.000 1.116 128 F CA 1.171 59.110 58.000 -0.102 0.000 1.212 128 F CB -0.417 38.403 39.000 -0.300 0.000 0.998 128 F HN -0.116 nan 8.300 nan 0.000 0.471 129 V N 1.375 121.310 119.914 0.036 0.000 2.282 129 V HA -0.288 3.807 4.120 -0.042 0.000 0.249 129 V C -0.441 175.509 176.094 -0.241 0.000 1.057 129 V CA 2.615 64.844 62.300 -0.119 0.000 1.032 129 V CB -1.829 29.954 31.823 -0.066 0.000 0.645 129 V HN 0.227 nan 8.190 nan 0.000 0.447 130 P HA -0.189 nan 4.420 nan 0.000 0.217 130 P C 1.937 179.116 177.300 -0.202 0.000 1.148 130 P CA 1.462 64.471 63.100 -0.151 0.000 0.828 130 P CB -0.065 31.594 31.700 -0.068 0.000 0.783 131 L N -1.113 119.954 121.223 -0.259 0.000 2.093 131 L HA -0.140 4.174 4.340 -0.042 0.000 0.208 131 L C 1.989 178.634 176.870 -0.374 0.000 1.085 131 L CA 1.529 56.187 54.840 -0.304 0.000 0.755 131 L CB -0.645 41.175 42.059 -0.399 0.000 0.904 131 L HN -0.171 nan 8.230 nan 0.000 0.435 132 V N 0.328 119.936 119.914 -0.510 0.000 2.261 132 V HA -0.300 3.795 4.120 -0.042 0.000 0.246 132 V C 2.578 178.404 176.094 -0.447 0.000 1.047 132 V CA 2.242 64.224 62.300 -0.530 0.000 1.015 132 V CB -0.695 30.720 31.823 -0.681 0.000 0.642 132 V HN 0.452 nan 8.190 nan 0.000 0.446 133 K N -0.149 119.947 120.400 -0.506 0.000 2.020 133 K HA -0.219 4.076 4.320 -0.042 0.000 0.212 133 K C 2.402 178.888 176.600 -0.190 0.000 1.050 133 K CA 1.768 57.705 56.287 -0.583 0.000 0.929 133 K CB -0.352 31.789 32.500 -0.599 0.000 0.714 133 K HN 0.339 nan 8.250 nan 0.000 0.443 134 R N 0.838 121.256 120.500 -0.137 0.000 2.096 134 R HA -0.137 4.178 4.340 -0.042 0.000 0.240 134 R C 2.452 178.734 176.300 -0.031 0.000 1.139 134 R CA 1.456 57.527 56.100 -0.049 0.000 0.952 134 R CB -0.520 29.743 30.300 -0.061 0.000 0.854 134 R HN 0.205 nan 8.270 nan 0.000 0.436 135 L N -0.176 120.999 121.223 -0.081 0.000 2.083 135 L HA -0.159 4.155 4.340 -0.042 0.000 0.209 135 L C 2.543 179.423 176.870 0.017 0.000 1.083 135 L CA 1.161 55.974 54.840 -0.046 0.000 0.752 135 L CB -0.444 41.559 42.059 -0.094 0.000 0.899 135 L HN 0.282 nan 8.230 nan 0.000 0.433 136 A N -0.394 122.443 122.820 0.028 0.000 2.066 136 A HA -0.018 4.277 4.320 -0.042 0.000 0.218 136 A C 2.120 179.818 177.584 0.190 0.000 1.157 136 A CA 1.382 53.513 52.037 0.156 0.000 0.670 136 A CB -0.616 18.540 19.000 0.261 0.000 0.804 136 A HN 0.438 nan 8.150 nan 0.000 0.453 137 G N -0.589 108.309 108.800 0.164 0.000 3.126 137 G HA2 0.402 4.337 3.960 -0.042 0.000 0.224 137 G HA3 0.402 4.337 3.960 -0.042 0.000 0.224 137 G C 0.772 175.720 174.900 0.079 0.000 1.142 137 G CA 0.453 45.639 45.100 0.143 0.000 0.759 137 G HN 0.688 nan 8.290 nan 0.000 0.550 138 G N 0.283 109.124 108.800 0.068 0.000 2.630 138 G HA2 0.239 4.173 3.960 -0.042 0.000 0.236 138 G HA3 0.239 4.173 3.960 -0.042 0.000 0.236 138 G C 0.374 175.298 174.900 0.040 0.000 1.248 138 G CA -0.149 44.986 45.100 0.058 0.000 0.844 138 G HN 0.061 nan 8.290 nan 0.000 0.588 139 D N -0.245 120.183 120.400 0.047 0.000 2.183 139 D HA -0.015 4.600 4.640 -0.042 0.000 0.203 139 D C 0.214 176.407 176.300 -0.177 0.000 0.969 139 D CA 0.710 54.690 54.000 -0.034 0.000 0.842 139 D CB 0.093 40.909 40.800 0.027 0.000 0.957 139 D HN 0.432 nan 8.370 nan 0.000 0.484 140 W N 1.004 122.279 121.300 -0.042 0.000 2.390 140 W HA 0.209 4.843 4.660 -0.043 0.000 0.312 140 W C 1.011 177.462 176.519 -0.113 0.000 1.123 140 W CA -1.254 56.028 57.345 -0.106 0.000 1.202 140 W CB 0.522 29.852 29.460 -0.215 0.000 1.251 140 W HN -0.145 nan 8.180 nan 0.000 0.511 141 F N 0.883 120.877 119.950 0.072 0.000 2.184 141 F HA -0.315 4.187 4.527 -0.042 0.000 0.301 141 F C 1.952 177.840 175.800 0.147 0.000 1.076 141 F CA 2.027 60.068 58.000 0.069 0.000 1.295 141 F CB -1.866 37.150 39.000 0.026 0.000 1.026 141 F HN 0.291 nan 8.300 nan 0.000 0.494 142 T N -1.633 112.651 114.554 -0.449 0.000 2.635 142 T HA -0.252 4.073 4.350 -0.042 0.000 0.267 142 T C 1.993 176.689 174.700 -0.007 0.000 1.040 142 T CA 1.870 63.826 62.100 -0.241 0.000 1.156 142 T CB -1.294 67.367 68.868 -0.345 0.000 0.863 142 T HN 0.433 nan 8.240 nan 0.000 0.430 143 S N 1.947 117.654 115.700 0.011 0.000 2.359 143 S HA -0.126 4.318 4.470 -0.042 0.000 0.222 143 S C 2.279 176.917 174.600 0.064 0.000 1.038 143 S CA 1.585 59.805 58.200 0.034 0.000 1.051 143 S CB -0.441 62.788 63.200 0.047 0.000 0.944 143 S HN 0.504 nan 8.310 nan 0.000 0.433 144 R N 0.688 121.244 120.500 0.093 0.000 2.103 144 R HA -0.072 4.243 4.340 -0.042 0.000 0.242 144 R C 2.644 179.022 176.300 0.129 0.000 1.142 144 R CA 1.742 57.910 56.100 0.114 0.000 0.960 144 R CB -1.058 29.308 30.300 0.110 0.000 0.858 144 R HN 0.320 nan 8.270 nan 0.000 0.439 145 T N 0.215 114.862 114.554 0.155 0.000 2.635 145 T HA -0.193 4.131 4.350 -0.042 0.000 0.267 145 T C 1.923 176.701 174.700 0.130 0.000 1.040 145 T CA 1.997 64.192 62.100 0.160 0.000 1.156 145 T CB -0.232 68.769 68.868 0.222 0.000 0.863 145 T HN 0.278 nan 8.240 nan 0.000 0.430 146 S N 1.305 117.066 115.700 0.102 0.000 2.348 146 S HA -0.083 4.361 4.470 -0.042 0.000 0.221 146 S C 2.570 177.228 174.600 0.096 0.000 1.033 146 S CA 1.056 59.304 58.200 0.080 0.000 1.010 146 S CB -0.847 62.376 63.200 0.038 0.000 0.891 146 S HN 0.617 nan 8.310 nan 0.000 0.442 147 A N 1.044 123.916 122.820 0.086 0.000 1.969 147 A HA -0.315 3.980 4.320 -0.042 0.000 0.223 147 A C 2.423 180.189 177.584 0.303 0.000 1.218 147 A CA 2.129 54.228 52.037 0.104 0.000 0.667 147 A CB -1.790 17.293 19.000 0.137 0.000 0.826 147 A HN 0.653 nan 8.150 nan 0.000 0.472 148 C N -1.402 118.101 119.300 0.338 0.000 2.398 148 C HA -0.079 4.356 4.460 -0.042 0.000 0.276 148 C C 2.902 178.145 174.990 0.420 0.000 1.222 148 C CA 0.801 60.071 59.018 0.420 0.000 1.746 148 C CB -1.839 26.031 27.740 0.217 0.000 2.039 148 C HN 0.759 nan 8.230 nan 0.000 0.470 149 G N -0.083 108.868 108.800 0.253 0.000 2.598 149 G HA2 -0.021 3.914 3.960 -0.042 0.000 0.215 149 G HA3 -0.021 3.914 3.960 -0.042 0.000 0.215 149 G C 1.325 176.333 174.900 0.180 0.000 1.131 149 G CA 0.254 45.471 45.100 0.195 0.000 0.785 149 G HN 0.601 nan 8.290 nan 0.000 0.539 150 L N -0.782 120.535 121.223 0.156 0.000 2.591 150 L HA 0.281 4.596 4.340 -0.042 0.000 0.228 150 L C 2.015 178.898 176.870 0.022 0.000 1.133 150 L CA -0.262 54.632 54.840 0.090 0.000 0.880 150 L CB -0.225 41.803 42.059 -0.053 0.000 1.033 150 L HN 0.058 nan 8.230 nan 0.000 0.450 151 F N 0.763 120.683 119.950 -0.049 0.000 2.098 151 F HA -0.205 4.298 4.527 -0.039 0.000 0.294 151 F C 3.020 178.740 175.800 -0.133 0.000 1.107 151 F CA 1.705 59.585 58.000 -0.200 0.000 1.234 151 F CB -0.763 37.853 39.000 -0.641 0.000 1.002 151 F HN 0.128 nan 8.300 nan 0.000 0.472 152 S N 0.596 116.351 115.700 0.092 0.000 2.387 152 S HA -0.190 4.254 4.470 -0.042 0.000 0.230 152 S C 2.041 176.700 174.600 0.099 0.000 1.035 152 S CA 1.720 59.997 58.200 0.128 0.000 1.014 152 S CB -1.398 61.870 63.200 0.114 0.000 0.836 152 S HN 0.271 nan 8.310 nan 0.000 0.466 153 V N 0.217 120.156 119.914 0.042 0.000 3.041 153 V HA 0.053 4.148 4.120 -0.042 0.000 0.260 153 V C 2.466 178.437 176.094 -0.205 0.000 1.105 153 V CA 0.800 63.040 62.300 -0.101 0.000 1.125 153 V CB -1.420 30.326 31.823 -0.130 0.000 0.730 153 V HN 0.915 nan 8.190 nan 0.000 0.479 154 C N -2.760 116.493 119.300 -0.079 0.000 3.188 154 C HA 0.336 4.771 4.460 -0.042 0.000 0.315 154 C C 2.337 177.338 174.990 0.018 0.000 1.285 154 C CA 0.101 59.052 59.018 -0.112 0.000 1.729 154 C CB -1.300 26.427 27.740 -0.023 0.000 2.257 154 C HN 0.555 nan 8.230 nan 0.000 0.645 155 Y N 3.743 124.042 120.300 -0.002 0.000 2.145 155 Y HA 0.065 4.594 4.550 -0.035 0.000 0.286 155 Y C -0.717 175.210 175.900 0.046 0.000 1.145 155 Y CA 2.028 60.169 58.100 0.069 0.000 1.148 155 Y CB -1.203 37.380 38.460 0.206 0.000 0.981 155 Y HN 0.234 nan 8.280 nan 0.000 0.507 156 P HA -0.083 nan 4.420 nan 0.000 0.223 156 P C 0.608 177.864 177.300 -0.072 0.000 1.151 156 P CA 1.721 64.839 63.100 0.031 0.000 0.787 156 P CB 0.046 31.800 31.700 0.090 0.000 0.788 157 R N -0.952 119.495 120.500 -0.089 0.000 2.362 157 R HA 0.164 4.478 4.340 -0.042 0.000 0.227 157 R C 0.934 177.173 176.300 -0.102 0.000 0.905 157 R CA 0.111 56.156 56.100 -0.091 0.000 1.067 157 R CB -0.134 30.111 30.300 -0.091 0.000 1.078 157 R HN 0.184 nan 8.270 nan 0.000 0.516 158 V N -1.057 118.775 119.914 -0.137 0.000 3.513 158 V HA 0.390 4.485 4.120 -0.042 0.000 0.297 158 V C 0.759 176.770 176.094 -0.137 0.000 1.058 158 V CA -1.064 61.161 62.300 -0.125 0.000 1.003 158 V CB 1.380 33.133 31.823 -0.117 0.000 1.236 158 V HN 0.159 nan 8.190 nan 0.000 0.436 159 S N -0.004 115.634 115.700 -0.104 0.000 2.614 159 S HA 0.205 4.650 4.470 -0.042 0.000 0.265 159 S C 1.142 175.683 174.600 -0.098 0.000 1.303 159 S CA 0.271 58.420 58.200 -0.085 0.000 1.000 159 S CB 0.850 64.018 63.200 -0.053 0.000 0.935 159 S HN 0.947 nan 8.310 nan 0.000 0.551 160 S N 1.958 117.618 115.700 -0.067 0.000 2.353 160 S HA -0.125 4.319 4.470 -0.042 0.000 0.222 160 S C 2.319 176.908 174.600 -0.018 0.000 1.035 160 S CA 1.310 59.482 58.200 -0.048 0.000 1.025 160 S CB -1.325 61.861 63.200 -0.022 0.000 0.902 160 S HN 1.012 nan 8.310 nan 0.000 0.440 161 A N 0.967 123.783 122.820 -0.006 0.000 1.978 161 A HA -0.069 4.226 4.320 -0.042 0.000 0.220 161 A C 2.322 179.927 177.584 0.035 0.000 1.170 161 A CA 1.654 53.702 52.037 0.018 0.000 0.636 161 A CB -0.801 18.206 19.000 0.012 0.000 0.810 161 A HN 0.366 nan 8.150 nan 0.000 0.448 162 V N -0.287 119.631 119.914 0.007 0.000 2.346 162 V HA -0.193 3.902 4.120 -0.042 0.000 0.244 162 V C 2.339 178.470 176.094 0.061 0.000 1.037 162 V CA 1.983 64.297 62.300 0.024 0.000 1.029 162 V CB -0.625 31.185 31.823 -0.021 0.000 0.663 162 V HN 0.520 nan 8.190 nan 0.000 0.454 163 K N 0.671 121.047 120.400 -0.039 0.000 2.059 163 K HA -0.262 4.033 4.320 -0.042 0.000 0.212 163 K C 2.326 179.107 176.600 0.302 0.000 1.050 163 K CA 1.773 58.047 56.287 -0.022 0.000 0.927 163 K CB -0.600 31.688 32.500 -0.352 0.000 0.714 163 K HN 0.460 nan 8.250 nan 0.000 0.447 164 A N 1.938 124.867 122.820 0.182 0.000 1.859 164 A HA -0.313 3.982 4.320 -0.042 0.000 0.218 164 A C 2.048 179.776 177.584 0.240 0.000 1.209 164 A CA 2.279 54.431 52.037 0.193 0.000 0.639 164 A CB -0.795 18.276 19.000 0.118 0.000 0.835 164 A HN 0.424 nan 8.150 nan 0.000 0.450 165 E N -0.108 120.227 120.200 0.224 0.000 2.058 165 E HA -0.194 4.131 4.350 -0.042 0.000 0.194 165 E C 2.012 178.886 176.600 0.456 0.000 0.997 165 E CA 1.373 57.952 56.400 0.298 0.000 0.801 165 E CB -0.430 29.432 29.700 0.270 0.000 0.746 165 E HN 0.627 nan 8.360 nan 0.000 0.450 166 L N 0.732 122.211 121.223 0.427 0.000 1.990 166 L HA -0.266 4.049 4.340 -0.042 0.000 0.213 166 L C 2.684 179.918 176.870 0.607 0.000 1.072 166 L CA 1.500 56.669 54.840 0.547 0.000 0.755 166 L CB -0.539 41.858 42.059 0.564 0.000 0.889 166 L HN 0.118 nan 8.230 nan 0.000 0.432 167 R N -0.460 120.368 120.500 0.547 0.000 2.119 167 R HA -0.279 4.035 4.340 -0.042 0.000 0.246 167 R C 2.297 178.819 176.300 0.369 0.000 1.146 167 R CA 2.039 58.419 56.100 0.467 0.000 0.962 167 R CB -0.405 30.102 30.300 0.345 0.000 0.863 167 R HN 0.342 nan 8.270 nan 0.000 0.442 168 Q N 0.155 120.141 119.800 0.310 0.000 1.993 168 Q HA -0.190 4.124 4.340 -0.042 0.000 0.202 168 Q C 1.724 177.836 176.000 0.187 0.000 0.984 168 Q CA 1.836 57.751 55.803 0.186 0.000 0.837 168 Q CB -0.608 28.192 28.738 0.103 0.000 0.902 168 Q HN 0.361 nan 8.270 nan 0.000 0.423 169 Y N -0.591 119.835 120.300 0.210 0.000 2.069 169 Y HA -0.289 4.236 4.550 -0.042 0.000 0.278 169 Y C 2.087 178.055 175.900 0.114 0.000 1.175 169 Y CA 1.909 60.141 58.100 0.220 0.000 1.134 169 Y CB -0.647 38.046 38.460 0.387 0.000 0.965 169 Y HN 0.272 nan 8.280 nan 0.000 0.498 170 F N 0.422 120.374 119.950 0.003 0.000 2.161 170 F HA -0.224 4.277 4.527 -0.042 0.000 0.300 170 F C 2.501 178.217 175.800 -0.140 0.000 1.089 170 F CA 1.584 59.309 58.000 -0.458 0.000 1.282 170 F CB -0.364 38.186 39.000 -0.750 0.000 1.010 170 F HN -0.130 nan 8.300 nan 0.000 0.485 171 R N 0.112 120.653 120.500 0.069 0.000 2.073 171 R HA -0.178 4.136 4.340 -0.042 0.000 0.234 171 R C 2.033 178.279 176.300 -0.090 0.000 1.134 171 R CA 1.557 57.658 56.100 0.002 0.000 0.952 171 R CB -0.425 29.919 30.300 0.073 0.000 0.850 171 R HN 0.284 nan 8.270 nan 0.000 0.433 172 N N 0.671 119.336 118.700 -0.059 0.000 2.272 172 N HA -0.171 4.544 4.740 -0.042 0.000 0.185 172 N C 1.762 177.210 175.510 -0.102 0.000 1.014 172 N CA 1.065 54.072 53.050 -0.072 0.000 0.870 172 N CB -0.109 38.339 38.487 -0.065 0.000 0.975 172 N HN 0.260 nan 8.380 nan 0.000 0.433 173 L N -0.099 121.021 121.223 -0.172 0.000 2.109 173 L HA -0.080 4.235 4.340 -0.042 0.000 0.207 173 L C 2.263 178.977 176.870 -0.260 0.000 1.086 173 L CA 0.610 55.322 54.840 -0.214 0.000 0.760 173 L CB -0.246 41.617 42.059 -0.328 0.000 0.910 173 L HN 0.166 nan 8.230 nan 0.000 0.437 174 C N -0.500 118.591 119.300 -0.348 0.000 2.419 174 C HA -0.097 4.337 4.460 -0.042 0.000 0.281 174 C C 2.346 177.251 174.990 -0.142 0.000 1.336 174 C CA 1.059 59.922 59.018 -0.257 0.000 1.770 174 C CB -0.955 26.647 27.740 -0.230 0.000 1.929 174 C HN 0.612 nan 8.230 nan 0.000 0.509 175 S N -0.402 115.226 115.700 -0.119 0.000 2.526 175 S HA 0.119 4.563 4.470 -0.042 0.000 0.247 175 S C -0.261 174.294 174.600 -0.075 0.000 1.076 175 S CA -0.309 57.842 58.200 -0.082 0.000 1.105 175 S CB -0.422 62.739 63.200 -0.065 0.000 0.793 175 S HN 0.636 nan 8.310 nan 0.000 0.458 176 D N 1.484 121.836 120.400 -0.081 0.000 2.357 176 D HA 0.057 4.671 4.640 -0.042 0.000 0.242 176 D C -0.413 175.849 176.300 -0.064 0.000 1.153 176 D CA 0.026 53.987 54.000 -0.065 0.000 0.918 176 D CB 1.009 41.775 40.800 -0.057 0.000 1.181 176 D HN 0.233 nan 8.370 nan 0.000 0.435 177 D N 0.459 120.823 120.400 -0.061 0.000 2.324 177 D HA 0.067 4.682 4.640 -0.042 0.000 0.235 177 D C -0.406 175.848 176.300 -0.076 0.000 1.095 177 D CA 0.289 54.249 54.000 -0.065 0.000 0.871 177 D CB 0.277 41.038 40.800 -0.064 0.000 0.906 177 D HN 0.134 nan 8.370 nan 0.000 0.522 178 T N -0.872 113.635 114.554 -0.079 0.000 2.841 178 T HA 0.269 4.594 4.350 -0.042 0.000 0.285 178 T C -2.156 172.480 174.700 -0.108 0.000 0.991 178 T CA -1.861 60.175 62.100 -0.107 0.000 0.966 178 T CB 2.414 71.210 68.868 -0.121 0.000 0.962 178 T HN -0.317 nan 8.240 nan 0.000 0.438 179 P HA -0.179 nan 4.420 nan 0.000 0.215 179 P C 2.203 179.437 177.300 -0.110 0.000 1.153 179 P CA 1.182 64.220 63.100 -0.104 0.000 0.853 179 P CB -0.145 31.492 31.700 -0.105 0.000 0.788 180 M N -1.980 117.519 119.600 -0.170 0.000 2.106 180 M HA -0.120 4.335 4.480 -0.042 0.000 0.259 180 M C 1.698 177.960 176.300 -0.064 0.000 1.068 180 M CA 2.114 57.309 55.300 -0.174 0.000 1.100 180 M CB -1.901 30.442 32.600 -0.427 0.000 1.351 180 M HN -0.192 nan 8.290 nan 0.000 0.404 181 V N 1.115 121.002 119.914 -0.045 0.000 2.283 181 V HA -0.166 3.929 4.120 -0.042 0.000 0.243 181 V C 2.724 178.799 176.094 -0.031 0.000 1.039 181 V CA 1.716 64.022 62.300 0.010 0.000 1.016 181 V CB -0.744 31.091 31.823 0.020 0.000 0.650 181 V HN 0.473 nan 8.190 nan 0.000 0.449 182 R N 0.076 120.541 120.500 -0.058 0.000 2.103 182 R HA -0.202 4.113 4.340 -0.042 0.000 0.242 182 R C 2.485 178.757 176.300 -0.047 0.000 1.142 182 R CA 1.720 57.778 56.100 -0.070 0.000 0.960 182 R CB -0.513 29.745 30.300 -0.071 0.000 0.858 182 R HN 0.468 nan 8.270 nan 0.000 0.439 183 R N 0.349 120.827 120.500 -0.037 0.000 2.103 183 R HA -0.166 4.148 4.340 -0.042 0.000 0.242 183 R C 2.388 178.692 176.300 0.006 0.000 1.142 183 R CA 1.589 57.678 56.100 -0.018 0.000 0.960 183 R CB -0.436 29.850 30.300 -0.024 0.000 0.858 183 R HN 0.265 nan 8.270 nan 0.000 0.439 184 A N 1.174 124.001 122.820 0.012 0.000 1.835 184 A HA -0.124 4.171 4.320 -0.042 0.000 0.215 184 A C 2.408 180.013 177.584 0.034 0.000 1.199 184 A CA 1.672 53.734 52.037 0.041 0.000 0.615 184 A CB -1.042 17.994 19.000 0.061 0.000 0.838 184 A HN 0.395 nan 8.150 nan 0.000 0.444 185 A N -0.130 122.665 122.820 -0.042 0.000 1.929 185 A HA -0.095 4.199 4.320 -0.042 0.000 0.221 185 A C 2.540 180.124 177.584 0.000 0.000 1.211 185 A CA 3.196 55.137 52.037 -0.159 0.000 0.657 185 A CB -1.337 17.455 19.000 -0.346 0.000 0.827 185 A HN 1.316 nan 8.150 nan 0.000 0.462 186 A N 0.050 122.877 122.820 0.012 0.000 1.851 186 A HA -0.163 4.131 4.320 -0.042 0.000 0.216 186 A C 2.585 180.238 177.584 0.115 0.000 1.195 186 A CA 3.140 55.221 52.037 0.073 0.000 0.622 186 A CB -1.376 17.651 19.000 0.045 0.000 0.831 186 A HN 1.343 nan 8.150 nan 0.000 0.444 187 S N -0.286 115.469 115.700 0.092 0.000 2.380 187 S HA -0.232 4.212 4.470 -0.042 0.000 0.229 187 S C 1.705 176.383 174.600 0.129 0.000 1.043 187 S CA 1.751 60.010 58.200 0.098 0.000 1.038 187 S CB -0.375 62.874 63.200 0.082 0.000 0.872 187 S HN 0.453 nan 8.310 nan 0.000 0.456 188 K N 0.872 121.378 120.400 0.176 0.000 2.432 188 K HA 0.263 4.557 4.320 -0.042 0.000 0.196 188 K C 1.852 178.620 176.600 0.281 0.000 1.038 188 K CA 0.290 56.709 56.287 0.220 0.000 0.986 188 K CB -0.751 31.911 32.500 0.270 0.000 0.782 188 K HN 0.452 nan 8.250 nan 0.000 0.485 189 L N 0.891 122.318 121.223 0.340 0.000 2.127 189 L HA -0.109 4.206 4.340 -0.042 0.000 0.211 189 L C 1.887 178.837 176.870 0.134 0.000 1.089 189 L CA 1.937 56.987 54.840 0.350 0.000 0.757 189 L CB -0.757 41.481 42.059 0.298 0.000 0.899 189 L HN 0.193 nan 8.230 nan 0.000 0.434 190 G N -0.466 108.386 108.800 0.087 0.000 2.414 190 G HA2 -0.291 3.643 3.960 -0.042 0.000 0.215 190 G HA3 -0.291 3.643 3.960 -0.042 0.000 0.215 190 G C 1.344 176.245 174.900 0.002 0.000 1.188 190 G CA 0.644 45.751 45.100 0.011 0.000 0.783 190 G HN 0.668 nan 8.290 nan 0.000 0.537 191 E N -0.780 119.446 120.200 0.044 0.000 2.265 191 E HA -0.119 4.206 4.350 -0.042 0.000 0.196 191 E C 2.070 178.702 176.600 0.054 0.000 0.996 191 E CA 0.672 57.099 56.400 0.045 0.000 0.832 191 E CB -0.355 29.387 29.700 0.070 0.000 0.756 191 E HN 0.338 nan 8.360 nan 0.000 0.491 192 F N 2.009 121.839 119.950 -0.199 0.000 2.206 192 F HA 0.199 4.700 4.527 -0.044 0.000 0.298 192 F C 2.272 177.881 175.800 -0.318 0.000 1.090 192 F CA 0.746 58.524 58.000 -0.369 0.000 1.323 192 F CB -0.679 37.840 39.000 -0.802 0.000 1.028 192 F HN 0.107 nan 8.300 nan 0.000 0.492 193 A N 0.356 122.963 122.820 -0.354 0.000 1.972 193 A HA -0.197 4.098 4.320 -0.042 0.000 0.219 193 A C 2.179 179.607 177.584 -0.260 0.000 1.169 193 A CA 1.492 53.295 52.037 -0.391 0.000 0.635 193 A CB -0.726 18.123 19.000 -0.253 0.000 0.810 193 A HN 0.432 nan 8.150 nan 0.000 0.446 194 K N -0.294 120.015 120.400 -0.152 0.000 2.515 194 K HA -0.027 4.268 4.320 -0.042 0.000 0.196 194 K C 1.226 177.788 176.600 -0.064 0.000 1.038 194 K CA 1.220 57.455 56.287 -0.086 0.000 0.967 194 K CB -0.095 32.381 32.500 -0.039 0.000 0.780 194 K HN 0.585 nan 8.250 nan 0.000 0.483 195 V N -2.959 116.897 119.914 -0.097 0.000 3.556 195 V HA 0.248 4.343 4.120 -0.042 0.000 0.287 195 V C 0.380 176.457 176.094 -0.028 0.000 1.422 195 V CA -0.400 61.898 62.300 -0.004 0.000 1.038 195 V CB -0.108 31.785 31.823 0.117 0.000 0.850 195 V HN -0.011 nan 8.190 nan 0.000 0.437 196 L N 2.594 123.660 121.223 -0.261 0.000 2.375 196 L HA 0.440 4.755 4.340 -0.042 0.000 0.271 196 L C 0.559 177.378 176.870 -0.085 0.000 1.107 196 L CA -0.520 54.173 54.840 -0.244 0.000 0.806 196 L CB 1.192 42.932 42.059 -0.533 0.000 1.146 196 L HN 0.386 nan 8.230 nan 0.000 0.447 197 E N 3.162 123.366 120.200 0.006 0.000 2.415 197 E HA -0.080 4.245 4.350 -0.042 0.000 0.262 197 E C 0.984 177.562 176.600 -0.036 0.000 1.038 197 E CA -0.388 56.013 56.400 0.002 0.000 0.921 197 E CB 0.982 30.701 29.700 0.031 0.000 0.950 197 E HN 0.519 nan 8.360 nan 0.000 0.438 198 L N 2.232 123.436 121.223 -0.033 0.000 2.034 198 L HA -0.305 4.010 4.340 -0.042 0.000 0.217 198 L C 1.128 177.975 176.870 -0.039 0.000 1.077 198 L CA 2.714 57.530 54.840 -0.041 0.000 0.769 198 L CB -0.813 41.229 42.059 -0.029 0.000 0.890 198 L HN 0.536 nan 8.230 nan 0.000 0.435 199 D N -0.772 119.614 120.400 -0.023 0.000 2.084 199 D HA -0.194 4.421 4.640 -0.042 0.000 0.194 199 D C 1.880 178.166 176.300 -0.023 0.000 0.990 199 D CA 1.610 55.600 54.000 -0.017 0.000 0.826 199 D CB -0.244 40.554 40.800 -0.004 0.000 0.971 199 D HN 0.473 nan 8.370 nan 0.000 0.453 200 N N -0.012 118.673 118.700 -0.026 0.000 2.192 200 N HA -0.143 4.572 4.740 -0.042 0.000 0.188 200 N C 1.630 177.091 175.510 -0.082 0.000 1.013 200 N CA 0.365 53.391 53.050 -0.040 0.000 0.863 200 N CB 0.130 38.594 38.487 -0.037 0.000 0.990 200 N HN -0.011 nan 8.380 nan 0.000 0.430 201 V N 1.538 121.392 119.914 -0.101 0.000 2.237 201 V HA -0.257 3.838 4.120 -0.042 0.000 0.245 201 V C 2.130 178.184 176.094 -0.067 0.000 1.046 201 V CA 1.666 63.894 62.300 -0.120 0.000 1.007 201 V CB -0.393 31.359 31.823 -0.118 0.000 0.638 201 V HN 0.273 nan 8.190 nan 0.000 0.445 202 K N 0.668 121.042 120.400 -0.043 0.000 2.063 202 K HA -0.181 4.114 4.320 -0.042 0.000 0.208 202 K C 2.267 178.866 176.600 -0.002 0.000 1.048 202 K CA 1.995 58.272 56.287 -0.017 0.000 0.928 202 K CB -0.328 32.164 32.500 -0.012 0.000 0.713 202 K HN 0.653 nan 8.250 nan 0.000 0.442 203 S N -0.339 115.358 115.700 -0.005 0.000 2.503 203 S HA 0.052 4.497 4.470 -0.042 0.000 0.217 203 S C 1.557 176.165 174.600 0.014 0.000 0.999 203 S CA 0.382 58.587 58.200 0.008 0.000 0.914 203 S CB 0.334 63.540 63.200 0.010 0.000 0.782 203 S HN 0.135 nan 8.310 nan 0.000 0.520 204 E N 0.613 120.813 120.200 0.000 0.000 2.306 204 E HA 0.367 4.692 4.350 -0.042 0.000 0.201 204 E C 1.748 178.361 176.600 0.022 0.000 0.874 204 E CA 0.122 56.530 56.400 0.013 0.000 0.972 204 E CB -0.077 29.624 29.700 0.002 0.000 0.957 204 E HN 0.272 nan 8.360 nan 0.000 0.492 205 I N 1.363 121.918 120.570 -0.026 0.000 2.202 205 I HA -0.184 3.961 4.170 -0.042 0.000 0.242 205 I C 2.011 178.183 176.117 0.093 0.000 1.091 205 I CA 0.883 62.182 61.300 -0.003 0.000 1.368 205 I CB -0.916 37.021 38.000 -0.105 0.000 1.058 205 I HN 0.136 nan 8.210 nan 0.000 0.410 206 I N 1.279 121.898 120.570 0.082 0.000 2.113 206 I HA -0.238 3.907 4.170 -0.042 0.000 0.242 206 I C 0.094 176.315 176.117 0.174 0.000 1.064 206 I CA 2.214 63.616 61.300 0.169 0.000 1.320 206 I CB -2.863 35.199 38.000 0.104 0.000 1.028 206 I HN 0.138 nan 8.210 nan 0.000 0.406 207 P HA -0.141 nan 4.420 nan 0.000 0.213 207 P C 2.250 179.593 177.300 0.072 0.000 1.170 207 P CA 1.536 64.673 63.100 0.063 0.000 0.898 207 P CB -0.114 31.612 31.700 0.044 0.000 0.787 208 M N -2.549 117.109 119.600 0.097 0.000 2.143 208 M HA -0.212 4.243 4.480 -0.042 0.000 0.258 208 M C 2.078 178.468 176.300 0.150 0.000 1.071 208 M CA 1.764 57.127 55.300 0.104 0.000 1.088 208 M CB -0.952 31.735 32.600 0.146 0.000 1.360 208 M HN -0.073 nan 8.290 nan 0.000 0.404 209 F N 1.324 121.287 119.950 0.022 0.000 2.026 209 F HA -0.273 4.228 4.527 -0.042 0.000 0.296 209 F C 2.833 178.638 175.800 0.008 0.000 1.133 209 F CA 2.042 60.053 58.000 0.018 0.000 1.188 209 F CB -1.137 37.870 39.000 0.012 0.000 0.968 209 F HN 0.227 nan 8.300 nan 0.000 0.476 210 S N 0.398 115.909 115.700 -0.316 0.000 2.368 210 S HA -0.226 4.218 4.470 -0.042 0.000 0.225 210 S C 2.029 176.497 174.600 -0.221 0.000 1.030 210 S CA 1.323 59.270 58.200 -0.422 0.000 0.999 210 S CB -0.990 62.067 63.200 -0.238 0.000 0.844 210 S HN 0.576 nan 8.310 nan 0.000 0.459 211 N N 1.432 120.068 118.700 -0.108 0.000 2.061 211 N HA -0.047 4.667 4.740 -0.042 0.000 0.193 211 N C 1.747 177.210 175.510 -0.078 0.000 1.030 211 N CA 1.770 54.776 53.050 -0.073 0.000 0.856 211 N CB -0.438 38.027 38.487 -0.036 0.000 1.023 211 N HN 0.453 nan 8.380 nan 0.000 0.424 212 L N 0.529 121.715 121.223 -0.063 0.000 2.240 212 L HA 0.025 4.340 4.340 -0.042 0.000 0.211 212 L C 2.179 179.005 176.870 -0.074 0.000 1.106 212 L CA 0.381 55.194 54.840 -0.046 0.000 0.793 212 L CB -0.173 41.892 42.059 0.010 0.000 0.927 212 L HN 0.068 nan 8.230 nan 0.000 0.446 213 A N -0.775 121.952 122.820 -0.155 0.000 2.209 213 A HA -0.040 4.255 4.320 -0.042 0.000 0.212 213 A C 1.306 178.807 177.584 -0.139 0.000 1.158 213 A CA 1.202 53.123 52.037 -0.194 0.000 0.742 213 A CB -0.306 18.428 19.000 -0.443 0.000 0.790 213 A HN 0.410 nan 8.150 nan 0.000 0.472 214 S N -0.283 115.347 115.700 -0.117 0.000 2.569 214 S HA 0.230 4.675 4.470 -0.042 0.000 0.215 214 S C -0.795 173.762 174.600 -0.071 0.000 1.096 214 S CA -0.676 57.471 58.200 -0.089 0.000 1.183 214 S CB -0.007 63.137 63.200 -0.092 0.000 1.324 214 S HN 0.433 nan 8.310 nan 0.000 0.421 215 D N 1.272 121.632 120.400 -0.066 0.000 2.253 215 D HA 0.206 4.820 4.640 -0.042 0.000 0.249 215 D C 0.918 177.184 176.300 -0.056 0.000 1.049 215 D CA -0.294 53.671 54.000 -0.059 0.000 0.929 215 D CB 1.221 41.986 40.800 -0.058 0.000 1.176 215 D HN 0.337 nan 8.370 nan 0.000 0.437 216 E N 1.050 121.219 120.200 -0.053 0.000 2.114 216 E HA -0.258 4.066 4.350 -0.042 0.000 0.199 216 E C 0.259 176.826 176.600 -0.055 0.000 1.008 216 E CA 1.014 57.384 56.400 -0.050 0.000 0.810 216 E CB -0.016 29.656 29.700 -0.047 0.000 0.739 216 E HN 0.370 nan 8.360 nan 0.000 0.456 217 Q N 1.446 121.210 119.800 -0.060 0.000 2.324 217 Q HA -0.037 4.278 4.340 -0.042 0.000 0.257 217 Q C 0.338 176.294 176.000 -0.073 0.000 1.080 217 Q CA -0.007 55.756 55.803 -0.066 0.000 0.907 217 Q CB 0.911 29.608 28.738 -0.068 0.000 1.274 217 Q HN 0.206 nan 8.270 nan 0.000 0.434 218 D N 0.722 121.071 120.400 -0.084 0.000 2.221 218 D HA -0.226 4.389 4.640 -0.042 0.000 0.204 218 D C 1.139 177.373 176.300 -0.110 0.000 0.982 218 D CA 1.561 55.499 54.000 -0.103 0.000 0.857 218 D CB -0.186 40.533 40.800 -0.136 0.000 0.934 218 D HN 0.461 nan 8.370 nan 0.000 0.475 219 S N -0.727 114.910 115.700 -0.106 0.000 2.547 219 S HA -0.006 4.439 4.470 -0.042 0.000 0.235 219 S C 1.822 176.381 174.600 -0.068 0.000 0.980 219 S CA 0.493 58.634 58.200 -0.098 0.000 0.941 219 S CB -0.055 63.091 63.200 -0.090 0.000 0.763 219 S HN 0.203 nan 8.310 nan 0.000 0.532 220 V N 1.218 121.096 119.914 -0.061 0.000 2.806 220 V HA 0.158 4.253 4.120 -0.042 0.000 0.239 220 V C 2.649 178.726 176.094 -0.029 0.000 1.113 220 V CA 0.580 62.855 62.300 -0.041 0.000 1.137 220 V CB -0.333 31.462 31.823 -0.046 0.000 0.865 220 V HN 0.369 nan 8.190 nan 0.000 0.482 221 R N 0.872 121.347 120.500 -0.043 0.000 2.103 221 R HA -0.181 4.133 4.340 -0.042 0.000 0.242 221 R C 2.360 178.653 176.300 -0.012 0.000 1.142 221 R CA 2.034 58.112 56.100 -0.037 0.000 0.960 221 R CB -0.732 29.535 30.300 -0.055 0.000 0.858 221 R HN 0.610 nan 8.270 nan 0.000 0.439 222 L N -0.689 120.519 121.223 -0.025 0.000 2.131 222 L HA -0.114 4.201 4.340 -0.042 0.000 0.210 222 L C 2.041 178.934 176.870 0.039 0.000 1.092 222 L CA 1.450 56.290 54.840 -0.001 0.000 0.759 222 L CB -0.630 41.404 42.059 -0.041 0.000 0.903 222 L HN 0.094 nan 8.230 nan 0.000 0.435 223 L N 0.956 122.199 121.223 0.033 0.000 2.017 223 L HA -0.146 4.169 4.340 -0.042 0.000 0.208 223 L C 3.236 180.169 176.870 0.104 0.000 1.073 223 L CA 1.257 56.133 54.840 0.060 0.000 0.745 223 L CB -1.158 40.929 42.059 0.048 0.000 0.894 223 L HN 0.410 nan 8.230 nan 0.000 0.432 224 A N 0.252 123.141 122.820 0.115 0.000 1.971 224 A HA -0.225 4.070 4.320 -0.042 0.000 0.222 224 A C 2.374 180.151 177.584 0.321 0.000 1.182 224 A CA 2.328 54.498 52.037 0.222 0.000 0.649 224 A CB -1.045 18.027 19.000 0.119 0.000 0.818 224 A HN 0.244 nan 8.150 nan 0.000 0.458 225 V N 0.050 120.085 119.914 0.202 0.000 2.255 225 V HA -0.303 3.791 4.120 -0.042 0.000 0.247 225 V C 2.620 178.811 176.094 0.163 0.000 1.051 225 V CA 2.611 65.032 62.300 0.201 0.000 1.018 225 V CB -0.854 31.051 31.823 0.137 0.000 0.641 225 V HN 0.815 nan 8.190 nan 0.000 0.445 226 E N 1.391 121.664 120.200 0.121 0.000 2.033 226 E HA -0.242 4.083 4.350 -0.042 0.000 0.199 226 E C 2.088 178.717 176.600 0.049 0.000 1.011 226 E CA 2.126 58.576 56.400 0.083 0.000 0.815 226 E CB -0.786 28.960 29.700 0.076 0.000 0.755 226 E HN 0.462 nan 8.360 nan 0.000 0.451 227 A N 0.450 123.304 122.820 0.057 0.000 2.042 227 A HA -0.271 4.024 4.320 -0.042 0.000 0.222 227 A C 2.688 180.160 177.584 -0.186 0.000 1.167 227 A CA 1.756 53.781 52.037 -0.020 0.000 0.649 227 A CB -1.567 17.458 19.000 0.042 0.000 0.809 227 A HN 0.609 nan 8.150 nan 0.000 0.457 228 C N -1.142 118.085 119.300 -0.122 0.000 2.413 228 C HA -0.099 4.336 4.460 -0.042 0.000 0.276 228 C C 2.597 177.470 174.990 -0.196 0.000 1.236 228 C CA 1.371 60.219 59.018 -0.283 0.000 1.735 228 C CB -1.538 26.305 27.740 0.173 0.000 2.031 228 C HN 0.455 nan 8.230 nan 0.000 0.474 229 V N 1.892 121.761 119.914 -0.075 0.000 2.215 229 V HA -0.298 3.797 4.120 -0.042 0.000 0.249 229 V C 2.171 178.206 176.094 -0.097 0.000 1.054 229 V CA 2.894 65.156 62.300 -0.063 0.000 1.012 229 V CB -1.190 30.617 31.823 -0.025 0.000 0.639 229 V HN 0.601 nan 8.190 nan 0.000 0.448 230 N N 0.021 118.665 118.700 -0.093 0.000 2.096 230 N HA -0.219 4.495 4.740 -0.042 0.000 0.195 230 N C 1.615 177.040 175.510 -0.141 0.000 1.017 230 N CA 2.047 55.038 53.050 -0.098 0.000 0.870 230 N CB -0.441 37.997 38.487 -0.081 0.000 1.024 230 N HN 0.509 nan 8.380 nan 0.000 0.434 231 I N 0.280 120.716 120.570 -0.223 0.000 2.202 231 I HA -0.241 3.904 4.170 -0.042 0.000 0.242 231 I C 2.328 178.334 176.117 -0.185 0.000 1.091 231 I CA 0.972 62.117 61.300 -0.258 0.000 1.368 231 I CB -0.430 37.290 38.000 -0.467 0.000 1.058 231 I HN 0.177 nan 8.210 nan 0.000 0.410 232 A N 0.518 123.236 122.820 -0.169 0.000 1.908 232 A HA -0.277 4.018 4.320 -0.042 0.000 0.218 232 A C 2.194 179.729 177.584 -0.081 0.000 1.181 232 A CA 1.708 53.684 52.037 -0.102 0.000 0.627 232 A CB -0.704 18.250 19.000 -0.076 0.000 0.818 232 A HN 0.543 nan 8.150 nan 0.000 0.445 233 Q N -0.511 119.240 119.800 -0.082 0.000 2.437 233 Q HA 0.059 4.373 4.340 -0.042 0.000 0.210 233 Q C 1.610 177.572 176.000 -0.063 0.000 0.972 233 Q CA 0.742 56.507 55.803 -0.064 0.000 0.903 233 Q CB -0.216 28.488 28.738 -0.057 0.000 0.967 233 Q HN 0.679 nan 8.270 nan 0.000 0.486 234 L N -0.085 121.091 121.223 -0.078 0.000 2.416 234 L HA 0.142 4.457 4.340 -0.042 0.000 0.216 234 L C 0.644 177.477 176.870 -0.062 0.000 1.098 234 L CA 0.152 54.948 54.840 -0.074 0.000 0.840 234 L CB 0.104 42.106 42.059 -0.096 0.000 0.981 234 L HN 0.150 nan 8.230 nan 0.000 0.462 235 L N 1.006 122.193 121.223 -0.060 0.000 2.343 235 L HA 0.386 4.701 4.340 -0.042 0.000 0.275 235 L C -2.076 174.773 176.870 -0.035 0.000 1.056 235 L CA -1.917 52.896 54.840 -0.045 0.000 0.804 235 L CB 0.754 42.788 42.059 -0.041 0.000 1.203 235 L HN -0.185 nan 8.230 nan 0.000 0.440 236 P HA 0.032 nan 4.420 nan 0.000 0.277 236 P C -0.005 177.284 177.300 -0.018 0.000 1.240 236 P CA -0.452 62.635 63.100 -0.022 0.000 0.798 236 P CB 1.155 32.844 31.700 -0.018 0.000 0.979 237 Q N 1.829 121.618 119.800 -0.018 0.000 2.028 237 Q HA -0.272 4.043 4.340 -0.042 0.000 0.213 237 Q C 1.639 177.634 176.000 -0.009 0.000 1.017 237 Q CA 2.527 58.321 55.803 -0.014 0.000 0.875 237 Q CB -0.724 28.005 28.738 -0.015 0.000 0.962 237 Q HN 0.470 nan 8.270 nan 0.000 0.413 238 E N 0.784 120.979 120.200 -0.007 0.000 2.172 238 E HA -0.213 4.111 4.350 -0.042 0.000 0.213 238 E C 1.503 178.103 176.600 -0.000 0.000 1.051 238 E CA 1.862 58.260 56.400 -0.003 0.000 0.860 238 E CB -0.300 29.398 29.700 -0.004 0.000 0.755 238 E HN 0.489 nan 8.360 nan 0.000 0.462 239 D N -0.396 120.002 120.400 -0.002 0.000 2.349 239 D HA 0.017 4.632 4.640 -0.042 0.000 0.224 239 D C 1.598 177.902 176.300 0.007 0.000 1.029 239 D CA 0.255 54.256 54.000 0.002 0.000 0.879 239 D CB 0.158 40.956 40.800 -0.003 0.000 0.906 239 D HN 0.225 nan 8.370 nan 0.000 0.528 240 L N 0.431 121.657 121.223 0.005 0.000 2.131 240 L HA -0.096 4.218 4.340 -0.042 0.000 0.206 240 L C 2.358 179.244 176.870 0.026 0.000 1.087 240 L CA 0.775 55.623 54.840 0.013 0.000 0.767 240 L CB -0.043 42.019 42.059 0.004 0.000 0.917 240 L HN -0.105 nan 8.230 nan 0.000 0.441 241 E N 0.721 120.933 120.200 0.021 0.000 2.274 241 E HA -0.130 4.195 4.350 -0.042 0.000 0.194 241 E C 1.906 178.523 176.600 0.027 0.000 0.996 241 E CA 1.257 57.672 56.400 0.025 0.000 0.840 241 E CB 0.119 29.830 29.700 0.019 0.000 0.772 241 E HN 0.350 nan 8.360 nan 0.000 0.491 242 A N -0.433 122.402 122.820 0.025 0.000 1.984 242 A HA 0.157 4.452 4.320 -0.042 0.000 0.214 242 A C 1.889 179.494 177.584 0.035 0.000 1.173 242 A CA 0.747 52.799 52.037 0.025 0.000 0.673 242 A CB -0.011 19.000 19.000 0.018 0.000 0.830 242 A HN 0.289 nan 8.150 nan 0.000 0.453 243 L N -1.834 119.416 121.223 0.046 0.000 2.642 243 L HA 0.177 4.491 4.340 -0.042 0.000 0.233 243 L C 1.666 178.611 176.870 0.126 0.000 1.077 243 L CA 0.082 54.965 54.840 0.070 0.000 0.879 243 L CB 0.411 42.503 42.059 0.055 0.000 1.151 243 L HN 0.140 nan 8.230 nan 0.000 0.495 244 V N -1.269 118.715 119.914 0.116 0.000 2.939 244 V HA 0.011 4.106 4.120 -0.042 0.000 0.228 244 V C 2.256 178.445 176.094 0.158 0.000 1.162 244 V CA 0.272 62.684 62.300 0.187 0.000 1.222 244 V CB -0.096 31.796 31.823 0.114 0.000 1.053 244 V HN 0.110 nan 8.190 nan 0.000 0.504 245 M N 0.182 119.841 119.600 0.098 0.000 2.152 245 M HA -0.217 4.238 4.480 -0.042 0.000 0.251 245 M C 0.011 176.351 176.300 0.067 0.000 1.080 245 M CA 2.402 57.749 55.300 0.078 0.000 1.079 245 M CB -2.792 29.841 32.600 0.055 0.000 1.317 245 M HN 0.232 nan 8.290 nan 0.000 0.404 246 P HA -0.127 nan 4.420 nan 0.000 0.216 246 P C 1.524 178.829 177.300 0.008 0.000 1.150 246 P CA 1.727 64.843 63.100 0.026 0.000 0.843 246 P CB -0.225 31.485 31.700 0.016 0.000 0.787 247 T N -0.415 114.142 114.554 0.005 0.000 2.770 247 T HA -0.090 4.234 4.350 -0.042 0.000 0.258 247 T C 1.668 176.370 174.700 0.004 0.000 1.039 247 T CA 0.784 62.843 62.100 -0.068 0.000 1.143 247 T CB -1.050 67.666 68.868 -0.252 0.000 0.866 247 T HN 0.006 nan 8.240 nan 0.000 0.428 248 L N 1.675 122.956 121.223 0.096 0.000 2.081 248 L HA -0.096 4.219 4.340 -0.042 0.000 0.212 248 L C 2.392 179.318 176.870 0.093 0.000 1.080 248 L CA 1.708 56.621 54.840 0.122 0.000 0.754 248 L CB -0.487 41.657 42.059 0.141 0.000 0.893 248 L HN 0.085 nan 8.230 nan 0.000 0.433 249 R N -0.976 119.567 120.500 0.073 0.000 2.096 249 R HA -0.192 4.122 4.340 -0.042 0.000 0.235 249 R C 2.273 178.600 176.300 0.044 0.000 1.127 249 R CA 1.481 57.619 56.100 0.064 0.000 0.968 249 R CB -0.448 29.882 30.300 0.050 0.000 0.861 249 R HN 0.433 nan 8.270 nan 0.000 0.440 250 Q N 0.913 120.727 119.800 0.022 0.000 2.079 250 Q HA -0.039 4.276 4.340 -0.042 0.000 0.200 250 Q C 1.937 177.943 176.000 0.011 0.000 0.974 250 Q CA 1.896 57.702 55.803 0.004 0.000 0.840 250 Q CB -0.293 28.430 28.738 -0.025 0.000 0.898 250 Q HN 0.298 nan 8.270 nan 0.000 0.430 251 A N 0.523 123.355 122.820 0.021 0.000 1.892 251 A HA -0.150 4.145 4.320 -0.042 0.000 0.218 251 A C 2.308 179.923 177.584 0.053 0.000 1.188 251 A CA 2.226 54.285 52.037 0.036 0.000 0.631 251 A CB -1.301 17.739 19.000 0.066 0.000 0.822 251 A HN 0.532 nan 8.150 nan 0.000 0.447 252 A N -0.545 122.316 122.820 0.068 0.000 2.019 252 A HA -0.144 4.151 4.320 -0.042 0.000 0.219 252 A C 1.797 179.404 177.584 0.039 0.000 1.164 252 A CA 1.624 53.700 52.037 0.064 0.000 0.644 252 A CB -0.383 18.667 19.000 0.084 0.000 0.805 252 A HN 0.683 nan 8.150 nan 0.000 0.449 253 E N -0.245 119.974 120.200 0.032 0.000 2.476 253 E HA 0.021 4.346 4.350 -0.042 0.000 0.199 253 E C -0.174 176.439 176.600 0.021 0.000 1.021 253 E CA -0.424 55.989 56.400 0.022 0.000 0.907 253 E CB 0.112 29.822 29.700 0.016 0.000 0.974 253 E HN 0.554 nan 8.360 nan 0.000 0.489 254 D N 1.798 122.210 120.400 0.020 0.000 2.622 254 D HA -0.135 4.480 4.640 -0.042 0.000 0.227 254 D C 0.960 177.273 176.300 0.022 0.000 1.159 254 D CA 0.520 54.526 54.000 0.011 0.000 0.865 254 D CB 0.874 41.676 40.800 0.004 0.000 1.207 254 D HN -0.120 nan 8.370 nan 0.000 0.492 255 K N 1.277 121.685 120.400 0.013 0.000 2.097 255 K HA -0.081 4.213 4.320 -0.042 0.000 0.205 255 K C 0.923 177.551 176.600 0.047 0.000 1.050 255 K CA 0.253 56.556 56.287 0.027 0.000 0.938 255 K CB -0.507 32.002 32.500 0.014 0.000 0.718 255 K HN 0.241 nan 8.250 nan 0.000 0.442 256 S N 2.548 118.249 115.700 0.002 0.000 2.465 256 S HA 0.030 4.475 4.470 -0.042 0.000 0.280 256 S C 1.361 175.949 174.600 -0.021 0.000 1.232 256 S CA -0.752 57.415 58.200 -0.055 0.000 1.066 256 S CB 0.068 63.175 63.200 -0.155 0.000 0.929 256 S HN 0.423 nan 8.310 nan 0.000 0.494 257 W N 6.645 127.949 121.300 0.007 0.000 2.392 257 W HA -0.141 4.494 4.660 -0.042 0.000 0.279 257 W C 1.195 177.747 176.519 0.054 0.000 1.225 257 W CA 0.413 57.774 57.345 0.026 0.000 1.233 257 W CB -0.699 28.770 29.460 0.014 0.000 1.122 257 W HN 0.713 nan 8.180 nan 0.000 0.561 258 R N 0.937 120.892 120.500 -0.909 0.000 2.096 258 R HA -0.105 4.210 4.340 -0.042 0.000 0.235 258 R C 2.319 178.492 176.300 -0.212 0.000 1.127 258 R CA 1.799 57.385 56.100 -0.857 0.000 0.968 258 R CB -0.769 28.934 30.300 -0.996 0.000 0.861 258 R HN 0.173 nan 8.270 nan 0.000 0.440 259 V N 1.131 120.965 119.914 -0.133 0.000 2.453 259 V HA -0.169 3.926 4.120 -0.042 0.000 0.247 259 V C 2.342 178.481 176.094 0.075 0.000 1.048 259 V CA 1.487 63.777 62.300 -0.016 0.000 1.049 259 V CB -0.446 31.360 31.823 -0.028 0.000 0.672 259 V HN 0.290 nan 8.190 nan 0.000 0.457 260 R N -0.907 119.656 120.500 0.106 0.000 2.092 260 R HA -0.186 4.129 4.340 -0.042 0.000 0.231 260 R C 2.303 178.705 176.300 0.170 0.000 1.119 260 R CA 1.873 58.050 56.100 0.127 0.000 0.970 260 R CB -0.627 29.753 30.300 0.133 0.000 0.864 260 R HN 0.614 nan 8.270 nan 0.000 0.440 261 Y N 1.489 121.864 120.300 0.124 0.000 2.114 261 Y HA -0.291 4.233 4.550 -0.042 0.000 0.282 261 Y C 2.433 178.396 175.900 0.105 0.000 1.165 261 Y CA 1.626 59.817 58.100 0.150 0.000 1.148 261 Y CB -0.043 38.562 38.460 0.242 0.000 0.972 261 Y HN -0.088 nan 8.280 nan 0.000 0.504 262 M N -0.660 119.132 119.600 0.320 0.000 2.065 262 M HA -0.245 4.210 4.480 -0.042 0.000 0.259 262 M C 2.185 178.562 176.300 0.128 0.000 1.071 262 M CA 1.597 57.025 55.300 0.214 0.000 1.109 262 M CB -1.396 31.305 32.600 0.167 0.000 1.313 262 M HN 0.253 nan 8.290 nan 0.000 0.408 263 V N 0.666 120.659 119.914 0.132 0.000 2.317 263 V HA -0.306 3.789 4.120 -0.042 0.000 0.251 263 V C 2.703 178.906 176.094 0.181 0.000 1.065 263 V CA 2.049 64.453 62.300 0.173 0.000 1.049 263 V CB -1.542 30.380 31.823 0.165 0.000 0.651 263 V HN 0.533 nan 8.190 nan 0.000 0.450 264 A N -0.010 122.821 122.820 0.019 0.000 1.873 264 A HA -0.269 4.025 4.320 -0.042 0.000 0.215 264 A C 2.058 179.624 177.584 -0.030 0.000 1.186 264 A CA 1.986 53.968 52.037 -0.092 0.000 0.616 264 A CB -0.690 18.184 19.000 -0.211 0.000 0.823 264 A HN 0.574 nan 8.150 nan 0.000 0.442 265 D N -1.098 119.228 120.400 -0.123 0.000 2.310 265 D HA -0.060 4.555 4.640 -0.042 0.000 0.212 265 D C 1.050 177.389 176.300 0.066 0.000 0.965 265 D CA 0.870 54.827 54.000 -0.071 0.000 0.879 265 D CB 0.138 40.873 40.800 -0.108 0.000 0.921 265 D HN 0.138 nan 8.370 nan 0.000 0.510 266 K N -0.378 120.091 120.400 0.116 0.000 2.618 266 K HA 0.064 4.359 4.320 -0.042 0.000 0.207 266 K C 0.552 177.243 176.600 0.151 0.000 1.058 266 K CA -0.406 55.950 56.287 0.115 0.000 1.086 266 K CB -0.124 32.436 32.500 0.099 0.000 0.827 266 K HN 0.126 nan 8.250 nan 0.000 0.481 267 F N 2.748 122.697 119.950 -0.002 0.000 2.026 267 F HA -0.279 4.222 4.527 -0.042 0.000 0.296 267 F C 2.525 178.325 175.800 -0.001 0.000 1.133 267 F CA 2.490 60.476 58.000 -0.024 0.000 1.188 267 F CB -0.721 38.224 39.000 -0.092 0.000 0.968 267 F HN 0.211 nan 8.300 nan 0.000 0.476 268 T N -2.063 112.535 114.554 0.074 0.000 2.778 268 T HA -0.228 4.097 4.350 -0.042 0.000 0.269 268 T C 1.650 176.328 174.700 -0.036 0.000 1.050 268 T CA 1.768 63.879 62.100 0.019 0.000 1.137 268 T CB -0.541 68.365 68.868 0.063 0.000 0.860 268 T HN 0.262 nan 8.240 nan 0.000 0.468 269 E N 1.015 121.207 120.200 -0.014 0.000 2.150 269 E HA 0.155 4.480 4.350 -0.042 0.000 0.193 269 E C 2.098 178.665 176.600 -0.056 0.000 0.985 269 E CA 0.679 57.067 56.400 -0.021 0.000 0.814 269 E CB -0.406 29.300 29.700 0.010 0.000 0.752 269 E HN 0.508 nan 8.360 nan 0.000 0.466 270 L N 0.197 121.362 121.223 -0.097 0.000 2.131 270 L HA -0.098 4.216 4.340 -0.042 0.000 0.206 270 L C 2.604 179.372 176.870 -0.170 0.000 1.087 270 L CA 0.826 55.590 54.840 -0.126 0.000 0.767 270 L CB -0.295 41.673 42.059 -0.152 0.000 0.917 270 L HN 0.164 nan 8.230 nan 0.000 0.441 271 Q N 0.522 120.177 119.800 -0.243 0.000 2.118 271 Q HA -0.286 4.029 4.340 -0.042 0.000 0.211 271 Q C 2.127 178.050 176.000 -0.128 0.000 0.998 271 Q CA 1.968 57.655 55.803 -0.194 0.000 0.872 271 Q CB 0.125 28.779 28.738 -0.141 0.000 0.925 271 Q HN 0.419 nan 8.270 nan 0.000 0.414 272 K N -0.562 119.777 120.400 -0.101 0.000 2.005 272 K HA -0.041 4.254 4.320 -0.042 0.000 0.206 272 K C 2.155 178.714 176.600 -0.068 0.000 1.044 272 K CA 0.847 57.088 56.287 -0.078 0.000 0.942 272 K CB -0.281 32.182 32.500 -0.061 0.000 0.727 272 K HN 0.228 nan 8.250 nan 0.000 0.439 273 A N 1.490 124.271 122.820 -0.064 0.000 1.958 273 A HA -0.171 4.123 4.320 -0.042 0.000 0.221 273 A C 2.417 179.968 177.584 -0.055 0.000 1.178 273 A CA 1.809 53.812 52.037 -0.057 0.000 0.642 273 A CB -0.799 18.167 19.000 -0.057 0.000 0.816 273 A HN 0.089 nan 8.150 nan 0.000 0.453 274 V N -1.398 118.479 119.914 -0.061 0.000 2.255 274 V HA 0.344 4.439 4.120 -0.042 0.000 0.243 274 V C 1.445 177.512 176.094 -0.045 0.000 1.038 274 V CA 1.495 63.765 62.300 -0.050 0.000 1.008 274 V CB -1.324 30.466 31.823 -0.055 0.000 0.645 274 V HN 1.246 nan 8.190 nan 0.000 0.449 275 G N -1.176 107.591 108.800 -0.056 0.000 2.339 275 G HA2 0.083 4.018 3.960 -0.042 0.000 0.381 275 G HA3 0.083 4.018 3.960 -0.042 0.000 0.381 275 G C -2.569 172.296 174.900 -0.060 0.000 1.400 275 G CA 0.038 45.108 45.100 -0.051 0.000 1.002 275 G HN 0.046 nan 8.290 nan 0.000 0.633 276 P HA 0.019 nan 4.420 nan 0.000 0.227 276 P C 1.059 178.328 177.300 -0.051 0.000 1.161 276 P CA 1.280 64.338 63.100 -0.070 0.000 0.788 276 P CB 0.569 32.230 31.700 -0.065 0.000 0.822 277 E N 0.187 120.367 120.200 -0.033 0.000 2.014 277 E HA -0.091 4.234 4.350 -0.042 0.000 0.190 277 E C 2.023 178.621 176.600 -0.004 0.000 0.980 277 E CA 0.686 57.076 56.400 -0.017 0.000 0.807 277 E CB -0.466 29.227 29.700 -0.012 0.000 0.770 277 E HN -0.044 nan 8.360 nan 0.000 0.451 278 I N 1.393 121.961 120.570 -0.003 0.000 2.300 278 I HA -0.312 3.832 4.170 -0.042 0.000 0.252 278 I C 2.380 178.511 176.117 0.024 0.000 1.119 278 I CA 1.425 62.731 61.300 0.011 0.000 1.384 278 I CB -0.851 37.153 38.000 0.006 0.000 1.062 278 I HN 0.152 nan 8.210 nan 0.000 0.426 279 T N 0.427 114.984 114.554 0.005 0.000 2.652 279 T HA -0.289 4.036 4.350 -0.042 0.000 0.267 279 T C 1.975 176.725 174.700 0.084 0.000 1.039 279 T CA 1.927 64.043 62.100 0.028 0.000 1.153 279 T CB -0.263 68.578 68.868 -0.045 0.000 0.863 279 T HN 0.395 nan 8.240 nan 0.000 0.428 280 K N 0.182 120.605 120.400 0.039 0.000 2.057 280 K HA -0.126 4.169 4.320 -0.042 0.000 0.207 280 K C 2.333 178.979 176.600 0.077 0.000 1.049 280 K CA 1.511 57.832 56.287 0.057 0.000 0.931 280 K CB -0.239 32.272 32.500 0.019 0.000 0.714 280 K HN 0.267 nan 8.250 nan 0.000 0.440 281 T N 1.158 115.746 114.554 0.057 0.000 2.639 281 T HA -0.103 4.221 4.350 -0.042 0.000 0.261 281 T C 1.323 176.069 174.700 0.076 0.000 1.053 281 T CA 1.563 63.697 62.100 0.056 0.000 1.158 281 T CB -0.193 68.698 68.868 0.038 0.000 0.863 281 T HN 0.319 nan 8.240 nan 0.000 0.413 282 D N 0.441 120.890 120.400 0.082 0.000 2.369 282 D HA 0.168 4.783 4.640 -0.042 0.000 0.231 282 D C 2.367 178.758 176.300 0.153 0.000 0.967 282 D CA 0.437 54.496 54.000 0.099 0.000 0.905 282 D CB 0.021 40.868 40.800 0.079 0.000 1.044 282 D HN 0.231 nan 8.370 nan 0.000 0.487 283 L N 1.132 122.460 121.223 0.176 0.000 2.005 283 L HA -0.133 4.182 4.340 -0.042 0.000 0.207 283 L C 2.702 179.829 176.870 0.430 0.000 1.072 283 L CA 0.724 55.739 54.840 0.293 0.000 0.744 283 L CB -0.752 41.390 42.059 0.138 0.000 0.895 283 L HN -0.109 nan 8.230 nan 0.000 0.433 284 V N 0.259 120.433 119.914 0.433 0.000 2.250 284 V HA -0.252 3.843 4.120 -0.042 0.000 0.253 284 V C -0.008 176.272 176.094 0.310 0.000 1.065 284 V CA 2.517 65.098 62.300 0.468 0.000 1.039 284 V CB -1.823 30.210 31.823 0.351 0.000 0.647 284 V HN 0.330 nan 8.190 nan 0.000 0.446 285 P HA -0.171 nan 4.420 nan 0.000 0.213 285 P C 1.791 179.158 177.300 0.112 0.000 1.170 285 P CA 2.189 65.367 63.100 0.129 0.000 0.898 285 P CB -0.266 31.496 31.700 0.103 0.000 0.787 286 A N -0.751 122.163 122.820 0.157 0.000 1.884 286 A HA -0.263 4.032 4.320 -0.042 0.000 0.219 286 A C 2.153 179.754 177.584 0.029 0.000 1.197 286 A CA 1.924 54.039 52.037 0.130 0.000 0.637 286 A CB -2.033 17.113 19.000 0.244 0.000 0.827 286 A HN 0.164 nan 8.150 nan 0.000 0.450 287 F N 0.776 120.654 119.950 -0.120 0.000 2.307 287 F HA -0.182 4.320 4.527 -0.042 0.000 0.301 287 F C 2.326 177.934 175.800 -0.320 0.000 1.076 287 F CA 1.882 59.573 58.000 -0.515 0.000 1.383 287 F CB -0.389 38.291 39.000 -0.532 0.000 1.055 287 F HN 0.388 nan 8.300 nan 0.000 0.526 288 Q N -0.182 119.503 119.800 -0.191 0.000 2.020 288 Q HA -0.183 4.131 4.340 -0.042 0.000 0.198 288 Q C 1.886 177.731 176.000 -0.259 0.000 0.974 288 Q CA 1.767 57.424 55.803 -0.244 0.000 0.829 288 Q CB -0.353 28.338 28.738 -0.077 0.000 0.894 288 Q HN 0.410 nan 8.270 nan 0.000 0.433 289 N N 0.623 119.223 118.700 -0.166 0.000 2.137 289 N HA -0.174 4.541 4.740 -0.042 0.000 0.190 289 N C 1.568 176.961 175.510 -0.195 0.000 1.017 289 N CA 1.052 54.019 53.050 -0.139 0.000 0.859 289 N CB -0.155 38.286 38.487 -0.077 0.000 1.002 289 N HN 0.152 nan 8.380 nan 0.000 0.428 290 L N -0.245 120.804 121.223 -0.289 0.000 2.141 290 L HA -0.038 4.276 4.340 -0.042 0.000 0.209 290 L C 1.862 178.520 176.870 -0.354 0.000 1.094 290 L CA 0.870 55.518 54.840 -0.319 0.000 0.763 290 L CB -0.285 41.519 42.059 -0.424 0.000 0.908 290 L HN 0.272 nan 8.230 nan 0.000 0.437 291 M N -0.841 118.482 119.600 -0.462 0.000 2.562 291 M HA -0.095 4.360 4.480 -0.042 0.000 0.257 291 M C 1.402 177.557 176.300 -0.242 0.000 1.099 291 M CA 1.284 56.348 55.300 -0.392 0.000 1.099 291 M CB 0.021 32.336 32.600 -0.476 0.000 1.427 291 M HN 0.089 nan 8.290 nan 0.000 0.489 292 K N -0.277 120.000 120.400 -0.206 0.000 2.358 292 K HA 0.128 4.422 4.320 -0.042 0.000 0.197 292 K C -0.227 176.306 176.600 -0.112 0.000 1.025 292 K CA -0.193 56.010 56.287 -0.139 0.000 1.104 292 K CB 0.151 32.581 32.500 -0.118 0.000 0.855 292 K HN 0.141 nan 8.250 nan 0.000 0.531 293 D N 0.246 120.574 120.400 -0.120 0.000 2.474 293 D HA -0.116 4.498 4.640 -0.042 0.000 0.232 293 D C 1.139 177.395 176.300 -0.074 0.000 1.177 293 D CA 0.087 54.038 54.000 -0.082 0.000 0.876 293 D CB 0.736 41.493 40.800 -0.071 0.000 1.208 293 D HN 0.248 nan 8.370 nan 0.000 0.464 294 C N 0.734 120.000 119.300 -0.056 0.000 2.468 294 C HA 0.144 4.578 4.460 -0.042 0.000 0.277 294 C C 0.925 175.858 174.990 -0.095 0.000 1.400 294 C CA -0.394 58.585 59.018 -0.065 0.000 1.770 294 C CB -0.653 27.059 27.740 -0.047 0.000 1.905 294 C HN 0.443 nan 8.230 nan 0.000 0.519 295 E N 1.055 121.192 120.200 -0.104 0.000 2.089 295 E HA 0.521 4.846 4.350 -0.042 0.000 0.284 295 E C 0.972 177.478 176.600 -0.156 0.000 1.023 295 E CA -0.058 56.230 56.400 -0.187 0.000 0.819 295 E CB 1.376 30.917 29.700 -0.266 0.000 1.076 295 E HN 0.356 nan 8.360 nan 0.000 0.396 296 A N 4.498 127.217 122.820 -0.168 0.000 1.903 296 A HA -0.274 4.021 4.320 -0.042 0.000 0.219 296 A C 1.904 179.426 177.584 -0.102 0.000 1.191 296 A CA 2.037 53.997 52.037 -0.128 0.000 0.638 296 A CB -0.391 18.532 19.000 -0.129 0.000 0.823 296 A HN 0.626 nan 8.150 nan 0.000 0.451 297 E N -0.398 119.717 120.200 -0.142 0.000 2.108 297 E HA -0.188 4.137 4.350 -0.042 0.000 0.203 297 E C 1.863 178.566 176.600 0.173 0.000 1.022 297 E CA 1.805 58.201 56.400 -0.006 0.000 0.823 297 E CB -0.460 29.138 29.700 -0.170 0.000 0.744 297 E HN 0.317 nan 8.360 nan 0.000 0.456 298 V N 0.167 120.151 119.914 0.117 0.000 2.323 298 V HA -0.189 3.905 4.120 -0.042 0.000 0.244 298 V C 2.380 178.430 176.094 -0.073 0.000 1.041 298 V CA 1.987 64.334 62.300 0.079 0.000 1.025 298 V CB -0.418 31.462 31.823 0.095 0.000 0.656 298 V HN 0.236 nan 8.190 nan 0.000 0.451 299 R N 0.265 120.709 120.500 -0.093 0.000 2.080 299 R HA -0.193 4.122 4.340 -0.042 0.000 0.236 299 R C 2.464 178.671 176.300 -0.155 0.000 1.137 299 R CA 1.676 57.689 56.100 -0.145 0.000 0.943 299 R CB -0.775 29.448 30.300 -0.129 0.000 0.846 299 R HN 0.529 nan 8.270 nan 0.000 0.431 300 A N 1.413 124.157 122.820 -0.126 0.000 1.883 300 A HA -0.191 4.103 4.320 -0.042 0.000 0.217 300 A C 2.439 179.890 177.584 -0.221 0.000 1.186 300 A CA 1.945 53.875 52.037 -0.178 0.000 0.624 300 A CB -0.794 18.142 19.000 -0.107 0.000 0.822 300 A HN 0.442 nan 8.150 nan 0.000 0.444 301 A N -0.205 122.534 122.820 -0.134 0.000 1.892 301 A HA 0.045 4.340 4.320 -0.042 0.000 0.218 301 A C 2.534 180.066 177.584 -0.087 0.000 1.188 301 A CA 2.594 54.544 52.037 -0.145 0.000 0.631 301 A CB -1.122 17.608 19.000 -0.450 0.000 0.822 301 A HN 1.192 nan 8.150 nan 0.000 0.447 302 A N -0.680 122.061 122.820 -0.131 0.000 1.930 302 A HA -0.020 4.274 4.320 -0.042 0.000 0.217 302 A C 2.416 180.030 177.584 0.049 0.000 1.175 302 A CA 1.942 53.946 52.037 -0.055 0.000 0.627 302 A CB -0.868 17.936 19.000 -0.326 0.000 0.815 302 A HN 0.490 nan 8.150 nan 0.000 0.443 303 S N -0.376 115.276 115.700 -0.080 0.000 2.359 303 S HA -0.268 4.176 4.470 -0.042 0.000 0.222 303 S C 1.683 176.339 174.600 0.093 0.000 1.038 303 S CA 1.808 59.986 58.200 -0.036 0.000 1.051 303 S CB -0.816 62.299 63.200 -0.142 0.000 0.944 303 S HN 0.807 nan 8.310 nan 0.000 0.433 304 H N 1.012 120.124 119.070 0.070 0.000 2.466 304 H HA -0.068 4.463 4.556 -0.042 0.000 0.297 304 H C 1.577 176.968 175.328 0.106 0.000 1.113 304 H CA 1.042 57.135 56.048 0.074 0.000 1.273 304 H CB 0.129 29.923 29.762 0.052 0.000 1.371 304 H HN 0.121 nan 8.280 nan 0.000 0.528 305 K N 0.333 120.897 120.400 0.273 0.000 2.379 305 K HA 0.028 4.323 4.320 -0.042 0.000 0.194 305 K C 2.007 178.761 176.600 0.256 0.000 1.031 305 K CA 0.117 56.544 56.287 0.233 0.000 1.037 305 K CB 0.057 32.683 32.500 0.210 0.000 0.824 305 K HN 0.161 nan 8.250 nan 0.000 0.516 306 V N 2.058 122.177 119.914 0.341 0.000 2.250 306 V HA -0.338 3.757 4.120 -0.042 0.000 0.250 306 V C 2.591 178.840 176.094 0.258 0.000 1.060 306 V CA 2.205 64.725 62.300 0.367 0.000 1.030 306 V CB -0.443 31.556 31.823 0.293 0.000 0.643 306 V HN 0.390 nan 8.190 nan 0.000 0.445 307 K N 0.038 120.549 120.400 0.186 0.000 1.985 307 K HA -0.273 4.022 4.320 -0.042 0.000 0.210 307 K C 2.308 178.968 176.600 0.101 0.000 1.047 307 K CA 2.204 58.569 56.287 0.130 0.000 0.932 307 K CB -0.283 32.277 32.500 0.100 0.000 0.716 307 K HN 0.583 nan 8.250 nan 0.000 0.439 308 E N -0.458 119.801 120.200 0.099 0.000 2.110 308 E HA -0.221 4.104 4.350 -0.042 0.000 0.193 308 E C 1.891 178.521 176.600 0.051 0.000 0.988 308 E CA 1.168 57.605 56.400 0.063 0.000 0.804 308 E CB -0.227 29.512 29.700 0.065 0.000 0.745 308 E HN 0.394 nan 8.360 nan 0.000 0.458 309 F N 0.592 120.499 119.950 -0.072 0.000 2.171 309 F HA -0.170 4.332 4.527 -0.042 0.000 0.300 309 F C 1.996 177.738 175.800 -0.096 0.000 1.090 309 F CA 1.228 59.133 58.000 -0.158 0.000 1.293 309 F CB -0.290 38.479 39.000 -0.385 0.000 1.013 309 F HN 0.169 nan 8.300 nan 0.000 0.486 310 C N 0.191 119.467 119.300 -0.039 0.000 2.467 310 C HA -0.047 4.387 4.460 -0.042 0.000 0.279 310 C C 2.551 177.473 174.990 -0.114 0.000 1.347 310 C CA 0.690 59.655 59.018 -0.089 0.000 1.748 310 C CB -1.039 26.742 27.740 0.068 0.000 1.977 310 C HN 0.481 nan 8.230 nan 0.000 0.501 311 E N 1.072 121.229 120.200 -0.071 0.000 2.150 311 E HA -0.118 4.207 4.350 -0.042 0.000 0.193 311 E C 1.310 177.848 176.600 -0.103 0.000 0.985 311 E CA 0.705 57.068 56.400 -0.061 0.000 0.814 311 E CB -0.128 29.556 29.700 -0.028 0.000 0.752 311 E HN 0.597 nan 8.360 nan 0.000 0.466 312 N N 0.446 119.050 118.700 -0.161 0.000 2.398 312 N HA 0.050 4.764 4.740 -0.042 0.000 0.188 312 N C 0.174 175.546 175.510 -0.231 0.000 1.122 312 N CA 0.144 53.088 53.050 -0.177 0.000 0.866 312 N CB 0.281 38.664 38.487 -0.172 0.000 0.970 312 N HN 0.112 nan 8.380 nan 0.000 0.462 313 L N 1.022 122.075 121.223 -0.283 0.000 2.506 313 L HA -0.028 4.287 4.340 -0.042 0.000 0.281 313 L C 1.171 177.948 176.870 -0.154 0.000 1.228 313 L CA 0.069 54.747 54.840 -0.269 0.000 0.850 313 L CB 0.288 42.199 42.059 -0.247 0.000 1.110 313 L HN 0.004 nan 8.230 nan 0.000 0.496 314 S N 1.995 117.619 115.700 -0.127 0.000 2.563 314 S HA 0.022 4.467 4.470 -0.042 0.000 0.294 314 S C 1.301 175.863 174.600 -0.064 0.000 1.279 314 S CA 0.075 58.226 58.200 -0.082 0.000 1.069 314 S CB 0.911 64.073 63.200 -0.063 0.000 0.828 314 S HN 0.710 nan 8.310 nan 0.000 0.497 315 A N 4.596 127.386 122.820 -0.051 0.000 1.915 315 A HA -0.253 4.041 4.320 -0.042 0.000 0.220 315 A C 1.665 179.232 177.584 -0.028 0.000 1.198 315 A CA 2.574 54.589 52.037 -0.037 0.000 0.647 315 A CB -1.331 17.651 19.000 -0.030 0.000 0.825 315 A HN 1.043 nan 8.150 nan 0.000 0.456 316 D N -0.849 119.536 120.400 -0.025 0.000 2.264 316 D HA -0.140 4.475 4.640 -0.042 0.000 0.208 316 D C 1.604 177.896 176.300 -0.014 0.000 0.966 316 D CA 1.512 55.502 54.000 -0.017 0.000 0.864 316 D CB -0.811 39.980 40.800 -0.015 0.000 0.933 316 D HN 0.640 nan 8.370 nan 0.000 0.499 317 C N -2.069 117.219 119.300 -0.020 0.000 2.964 317 C HA 0.425 4.859 4.460 -0.042 0.000 0.358 317 C C 2.361 177.342 174.990 -0.014 0.000 1.289 317 C CA -0.238 58.772 59.018 -0.013 0.000 1.856 317 C CB -0.717 27.015 27.740 -0.014 0.000 2.488 317 C HN 0.240 nan 8.230 nan 0.000 0.604 318 R N 2.082 122.564 120.500 -0.030 0.000 2.293 318 R HA -0.379 3.936 4.340 -0.042 0.000 0.228 318 R C 2.157 178.454 176.300 -0.006 0.000 1.105 318 R CA 2.871 58.952 56.100 -0.032 0.000 0.860 318 R CB -1.092 29.186 30.300 -0.038 0.000 0.923 318 R HN 0.719 nan 8.270 nan 0.000 0.414 319 E N -0.303 119.898 120.200 0.002 0.000 2.169 319 E HA -0.320 4.004 4.350 -0.042 0.000 0.202 319 E C 1.724 178.337 176.600 0.021 0.000 1.016 319 E CA 2.033 58.443 56.400 0.016 0.000 0.817 319 E CB -0.216 29.495 29.700 0.017 0.000 0.736 319 E HN 0.478 nan 8.360 nan 0.000 0.462 320 N N -0.131 118.579 118.700 0.016 0.000 2.081 320 N HA -0.177 4.538 4.740 -0.042 0.000 0.191 320 N C 2.052 177.577 175.510 0.025 0.000 1.053 320 N CA 2.560 55.622 53.050 0.019 0.000 0.846 320 N CB -0.506 37.991 38.487 0.015 0.000 1.032 320 N HN 0.149 nan 8.380 nan 0.000 0.431 321 V N 0.086 120.017 119.914 0.029 0.000 2.317 321 V HA -0.235 3.859 4.120 -0.042 0.000 0.251 321 V C 2.138 178.271 176.094 0.064 0.000 1.065 321 V CA 2.006 64.336 62.300 0.050 0.000 1.049 321 V CB -0.974 30.885 31.823 0.060 0.000 0.651 321 V HN 0.415 nan 8.190 nan 0.000 0.450 322 I N -0.947 119.658 120.570 0.058 0.000 2.194 322 I HA -0.273 3.871 4.170 -0.042 0.000 0.246 322 I C 2.692 178.835 176.117 0.042 0.000 1.093 322 I CA 2.632 63.975 61.300 0.072 0.000 1.355 322 I CB -0.391 37.645 38.000 0.059 0.000 1.046 322 I HN 0.388 nan 8.210 nan 0.000 0.413 323 M N 0.578 120.191 119.600 0.021 0.000 2.156 323 M HA -0.144 4.311 4.480 -0.042 0.000 0.264 323 M C 2.424 178.700 176.300 -0.040 0.000 1.067 323 M CA 2.053 57.343 55.300 -0.017 0.000 1.131 323 M CB -0.314 32.289 32.600 0.004 0.000 1.368 323 M HN 0.309 nan 8.290 nan 0.000 0.416 324 S N -1.806 113.891 115.700 -0.006 0.000 2.475 324 S HA 0.070 4.514 4.470 -0.042 0.000 0.224 324 S C 1.701 176.306 174.600 0.007 0.000 1.042 324 S CA -0.007 58.189 58.200 -0.007 0.000 0.935 324 S CB -0.103 63.101 63.200 0.006 0.000 0.801 324 S HN 0.403 nan 8.310 nan 0.000 0.509 325 Q N 0.831 120.653 119.800 0.037 0.000 2.389 325 Q HA 0.387 4.702 4.340 -0.042 0.000 0.198 325 Q C 2.150 178.191 176.000 0.068 0.000 0.967 325 Q CA 0.516 56.354 55.803 0.059 0.000 0.863 325 Q CB -0.693 28.107 28.738 0.103 0.000 0.987 325 Q HN 0.455 nan 8.270 nan 0.000 0.557 326 I N 1.356 121.996 120.570 0.116 0.000 2.163 326 I HA -0.211 3.934 4.170 -0.042 0.000 0.240 326 I C 2.313 178.466 176.117 0.061 0.000 1.081 326 I CA 0.671 62.054 61.300 0.139 0.000 1.353 326 I CB -0.711 37.439 38.000 0.250 0.000 1.054 326 I HN 0.110 nan 8.210 nan 0.000 0.407 327 L N 1.507 122.750 121.223 0.033 0.000 2.064 327 L HA -0.192 4.123 4.340 -0.042 0.000 0.216 327 L C -0.517 176.325 176.870 -0.048 0.000 1.077 327 L CA 2.490 57.319 54.840 -0.018 0.000 0.766 327 L CB -1.865 40.149 42.059 -0.075 0.000 0.890 327 L HN 0.152 nan 8.230 nan 0.000 0.435 328 P HA -0.106 nan 4.420 nan 0.000 0.217 328 P C 1.931 179.198 177.300 -0.053 0.000 1.150 328 P CA 1.757 64.821 63.100 -0.060 0.000 0.832 328 P CB -0.198 31.470 31.700 -0.052 0.000 0.787 329 C N -1.155 118.113 119.300 -0.054 0.000 2.453 329 C HA -0.067 4.368 4.460 -0.042 0.000 0.277 329 C C 2.610 177.559 174.990 -0.069 0.000 1.262 329 C CA 0.359 59.330 59.018 -0.078 0.000 1.718 329 C CB -1.700 25.968 27.740 -0.121 0.000 2.031 329 C HN 0.176 nan 8.230 nan 0.000 0.480 330 I N 1.201 121.744 120.570 -0.045 0.000 2.185 330 I HA -0.316 3.829 4.170 -0.042 0.000 0.246 330 I C 2.534 178.635 176.117 -0.027 0.000 1.088 330 I CA 1.735 63.021 61.300 -0.024 0.000 1.347 330 I CB -0.446 37.559 38.000 0.009 0.000 1.041 330 I HN 0.436 nan 8.210 nan 0.000 0.415 331 K N 0.193 120.573 120.400 -0.035 0.000 2.063 331 K HA -0.192 4.103 4.320 -0.042 0.000 0.208 331 K C 2.072 178.652 176.600 -0.033 0.000 1.048 331 K CA 1.227 57.494 56.287 -0.033 0.000 0.928 331 K CB -0.153 32.324 32.500 -0.038 0.000 0.713 331 K HN 0.294 nan 8.250 nan 0.000 0.442 332 E N 1.083 121.258 120.200 -0.043 0.000 2.047 332 E HA -0.124 4.201 4.350 -0.042 0.000 0.191 332 E C 2.146 178.717 176.600 -0.047 0.000 0.987 332 E CA 0.919 57.291 56.400 -0.045 0.000 0.799 332 E CB -0.218 29.449 29.700 -0.056 0.000 0.752 332 E HN 0.305 nan 8.360 nan 0.000 0.449 333 L N 0.749 121.939 121.223 -0.055 0.000 2.131 333 L HA -0.145 4.170 4.340 -0.042 0.000 0.210 333 L C 2.425 179.273 176.870 -0.035 0.000 1.092 333 L CA 0.594 55.400 54.840 -0.057 0.000 0.759 333 L CB -0.455 41.562 42.059 -0.070 0.000 0.903 333 L HN -0.015 nan 8.230 nan 0.000 0.435 334 V N -1.263 118.638 119.914 -0.022 0.000 2.867 334 V HA -0.217 3.878 4.120 -0.042 0.000 0.260 334 V C 2.260 178.348 176.094 -0.010 0.000 1.099 334 V CA 1.879 64.175 62.300 -0.007 0.000 1.122 334 V CB -0.059 31.765 31.823 0.002 0.000 0.708 334 V HN 0.430 nan 8.190 nan 0.000 0.490 335 S N -1.512 114.176 115.700 -0.019 0.000 2.539 335 S HA 0.061 4.506 4.470 -0.042 0.000 0.221 335 S C 0.726 175.311 174.600 -0.024 0.000 0.987 335 S CA -0.497 57.692 58.200 -0.018 0.000 0.929 335 S CB -0.348 62.841 63.200 -0.018 0.000 0.832 335 S HN 0.646 nan 8.310 nan 0.000 0.492 336 D N 1.326 121.708 120.400 -0.030 0.000 2.515 336 D HA 0.018 4.633 4.640 -0.042 0.000 0.232 336 D C 1.209 177.493 176.300 -0.027 0.000 1.157 336 D CA 0.640 54.619 54.000 -0.036 0.000 0.871 336 D CB 1.218 41.991 40.800 -0.045 0.000 1.200 336 D HN 0.336 nan 8.370 nan 0.000 0.466 337 A N 3.924 126.727 122.820 -0.028 0.000 2.066 337 A HA -0.130 4.164 4.320 -0.042 0.000 0.218 337 A C 1.120 178.696 177.584 -0.013 0.000 1.157 337 A CA 0.470 52.494 52.037 -0.021 0.000 0.670 337 A CB -0.135 18.849 19.000 -0.026 0.000 0.804 337 A HN 0.632 nan 8.150 nan 0.000 0.453 338 N N 0.171 118.863 118.700 -0.013 0.000 2.408 338 N HA 0.214 4.929 4.740 -0.042 0.000 0.257 338 N C 0.943 176.476 175.510 0.040 0.000 1.064 338 N CA -0.153 52.904 53.050 0.013 0.000 0.952 338 N CB 0.567 39.050 38.487 -0.006 0.000 1.093 338 N HN 0.358 nan 8.380 nan 0.000 0.490 339 Q N 1.892 121.733 119.800 0.068 0.000 1.967 339 Q HA -0.296 4.018 4.340 -0.042 0.000 0.210 339 Q C 0.867 176.867 176.000 -0.001 0.000 1.005 339 Q CA 2.135 57.946 55.803 0.013 0.000 0.862 339 Q CB -0.441 28.273 28.738 -0.040 0.000 0.939 339 Q HN 0.752 nan 8.270 nan 0.000 0.417 340 H N -0.242 118.808 119.070 -0.033 0.000 2.394 340 H HA -0.138 4.392 4.556 -0.042 0.000 0.297 340 H C 2.107 177.391 175.328 -0.073 0.000 1.113 340 H CA 1.562 57.590 56.048 -0.033 0.000 1.277 340 H CB -0.588 29.163 29.762 -0.019 0.000 1.370 340 H HN 0.035 nan 8.280 nan 0.000 0.506 341 V N 0.904 120.846 119.914 0.046 0.000 2.261 341 V HA -0.252 3.843 4.120 -0.042 0.000 0.246 341 V C 2.219 178.280 176.094 -0.054 0.000 1.047 341 V CA 1.913 64.185 62.300 -0.046 0.000 1.015 341 V CB -0.394 31.397 31.823 -0.053 0.000 0.642 341 V HN 0.405 nan 8.190 nan 0.000 0.446 342 K N 0.283 120.664 120.400 -0.031 0.000 2.001 342 K HA -0.230 4.065 4.320 -0.042 0.000 0.214 342 K C 2.503 179.086 176.600 -0.029 0.000 1.050 342 K CA 1.922 58.192 56.287 -0.028 0.000 0.934 342 K CB -0.642 31.844 32.500 -0.023 0.000 0.718 342 K HN 0.414 nan 8.250 nan 0.000 0.443 343 S N 0.644 116.320 115.700 -0.041 0.000 2.380 343 S HA -0.247 4.198 4.470 -0.042 0.000 0.229 343 S C 2.036 176.633 174.600 -0.005 0.000 1.043 343 S CA 1.531 59.706 58.200 -0.041 0.000 1.038 343 S CB -0.264 62.881 63.200 -0.092 0.000 0.872 343 S HN 0.392 nan 8.310 nan 0.000 0.456 344 A N 1.619 124.417 122.820 -0.036 0.000 1.835 344 A HA 0.030 4.324 4.320 -0.042 0.000 0.215 344 A C 2.302 179.886 177.584 -0.000 0.000 1.199 344 A CA 1.591 53.578 52.037 -0.082 0.000 0.615 344 A CB -1.220 17.459 19.000 -0.536 0.000 0.838 344 A HN 0.659 nan 8.150 nan 0.000 0.444 345 L N -0.589 120.610 121.223 -0.039 0.000 2.187 345 L HA -0.142 4.173 4.340 -0.042 0.000 0.213 345 L C 2.423 179.325 176.870 0.053 0.000 1.100 345 L CA 1.494 56.345 54.840 0.018 0.000 0.765 345 L CB -0.221 41.837 42.059 -0.001 0.000 0.904 345 L HN 0.375 nan 8.230 nan 0.000 0.437 346 A N -0.944 121.898 122.820 0.037 0.000 2.168 346 A HA -0.112 4.183 4.320 -0.042 0.000 0.215 346 A C 2.381 179.980 177.584 0.025 0.000 1.152 346 A CA 1.266 53.324 52.037 0.037 0.000 0.716 346 A CB -0.521 18.487 19.000 0.013 0.000 0.794 346 A HN 0.675 nan 8.150 nan 0.000 0.465 347 S N -0.490 115.239 115.700 0.048 0.000 2.427 347 S HA -0.050 4.394 4.470 -0.042 0.000 0.224 347 S C 1.709 176.334 174.600 0.042 0.000 1.047 347 S CA 1.058 59.280 58.200 0.037 0.000 0.953 347 S CB -0.856 62.388 63.200 0.072 0.000 0.824 347 S HN 0.828 nan 8.310 nan 0.000 0.502 348 V N -0.217 119.748 119.914 0.084 0.000 2.825 348 V HA 0.301 4.396 4.120 -0.042 0.000 0.246 348 V C 2.271 178.423 176.094 0.097 0.000 1.068 348 V CA 0.574 62.927 62.300 0.089 0.000 1.088 348 V CB -1.114 30.785 31.823 0.126 0.000 0.733 348 V HN 0.460 nan 8.190 nan 0.000 0.468 349 I N -0.198 120.444 120.570 0.119 0.000 2.182 349 I HA -0.334 3.811 4.170 -0.042 0.000 0.248 349 I C 2.589 178.845 176.117 0.231 0.000 1.073 349 I CA 2.283 63.693 61.300 0.182 0.000 1.335 349 I CB -0.073 38.066 38.000 0.232 0.000 1.031 349 I HN 0.268 nan 8.210 nan 0.000 0.420 350 M N 0.444 120.106 119.600 0.104 0.000 2.435 350 M HA -0.142 4.312 4.480 -0.042 0.000 0.262 350 M C 1.998 178.334 176.300 0.060 0.000 1.065 350 M CA 1.545 56.829 55.300 -0.026 0.000 1.076 350 M CB -1.266 31.177 32.600 -0.262 0.000 1.403 350 M HN 0.453 nan 8.290 nan 0.000 0.454 351 G N -0.541 108.304 108.800 0.075 0.000 2.484 351 G HA2 -0.097 3.837 3.960 -0.042 0.000 0.218 351 G HA3 -0.097 3.837 3.960 -0.042 0.000 0.218 351 G C 1.493 176.449 174.900 0.094 0.000 1.130 351 G CA 0.073 45.214 45.100 0.068 0.000 0.784 351 G HN 0.444 nan 8.290 nan 0.000 0.543 352 L N 0.616 121.919 121.223 0.133 0.000 2.217 352 L HA -0.019 4.296 4.340 -0.042 0.000 0.211 352 L C 2.988 179.934 176.870 0.127 0.000 1.107 352 L CA 0.708 55.623 54.840 0.124 0.000 0.783 352 L CB -0.395 41.745 42.059 0.134 0.000 0.919 352 L HN 0.308 nan 8.230 nan 0.000 0.442 353 S N 1.093 116.900 115.700 0.179 0.000 2.389 353 S HA -0.152 4.293 4.470 -0.042 0.000 0.229 353 S C -0.357 174.310 174.600 0.112 0.000 1.048 353 S CA 2.269 60.581 58.200 0.187 0.000 1.117 353 S CB -1.045 62.296 63.200 0.234 0.000 1.020 353 S HN 0.268 nan 8.310 nan 0.000 0.430 354 P HA 0.095 nan 4.420 nan 0.000 0.242 354 P C 1.102 178.429 177.300 0.045 0.000 1.197 354 P CA 0.683 63.816 63.100 0.055 0.000 0.765 354 P CB -0.178 31.546 31.700 0.040 0.000 0.936 355 I N -0.932 119.670 120.570 0.052 0.000 2.731 355 I HA -0.037 4.108 4.170 -0.042 0.000 0.260 355 I C 2.279 178.421 176.117 0.043 0.000 1.138 355 I CA 0.584 61.908 61.300 0.040 0.000 1.461 355 I CB -0.212 37.811 38.000 0.038 0.000 1.128 355 I HN -0.172 nan 8.210 nan 0.000 0.438 356 L N 0.726 121.984 121.223 0.058 0.000 2.418 356 L HA 0.244 4.559 4.340 -0.042 0.000 0.218 356 L C 1.071 177.972 176.870 0.051 0.000 1.125 356 L CA 0.280 55.156 54.840 0.060 0.000 0.835 356 L CB -0.900 41.206 42.059 0.078 0.000 0.953 356 L HN 0.399 nan 8.230 nan 0.000 0.454 357 G N 0.839 109.668 108.800 0.049 0.000 2.758 357 G HA2 -0.293 3.642 3.960 -0.042 0.000 0.686 357 G HA3 -0.293 3.642 3.960 -0.042 0.000 0.686 357 G C 0.359 175.282 174.900 0.038 0.000 1.389 357 G CA 0.140 45.264 45.100 0.039 0.000 0.845 357 G HN 0.186 nan 8.290 nan 0.000 0.572 358 K N -0.211 120.208 120.400 0.032 0.000 2.000 358 K HA -0.230 4.064 4.320 -0.042 0.000 0.218 358 K C 1.990 178.596 176.600 0.011 0.000 1.053 358 K CA 2.570 58.873 56.287 0.028 0.000 0.946 358 K CB -0.324 32.189 32.500 0.023 0.000 0.723 358 K HN 0.576 nan 8.250 nan 0.000 0.446 359 D N 0.460 120.860 120.400 0.001 0.000 2.108 359 D HA -0.202 4.412 4.640 -0.042 0.000 0.190 359 D C 1.870 178.139 176.300 -0.052 0.000 0.995 359 D CA 1.280 55.267 54.000 -0.023 0.000 0.834 359 D CB -0.707 40.082 40.800 -0.018 0.000 0.967 359 D HN 0.333 nan 8.370 nan 0.000 0.446 360 N N 0.371 119.052 118.700 -0.030 0.000 2.036 360 N HA -0.135 4.579 4.740 -0.042 0.000 0.195 360 N C 1.930 177.407 175.510 -0.056 0.000 1.037 360 N CA 1.433 54.460 53.050 -0.039 0.000 0.855 360 N CB -0.766 37.771 38.487 0.082 0.000 1.033 360 N HN 0.190 nan 8.380 nan 0.000 0.423 361 T N 2.378 116.931 114.554 -0.003 0.000 2.620 361 T HA -0.134 4.190 4.350 -0.042 0.000 0.267 361 T C 2.071 176.728 174.700 -0.072 0.000 1.044 361 T CA 1.201 63.297 62.100 -0.007 0.000 1.161 361 T CB -0.314 68.593 68.868 0.065 0.000 0.862 361 T HN 0.257 nan 8.240 nan 0.000 0.438 362 I N 0.473 121.011 120.570 -0.054 0.000 2.394 362 I HA -0.101 4.044 4.170 -0.042 0.000 0.251 362 I C 2.662 178.706 176.117 -0.122 0.000 1.136 362 I CA 1.253 62.514 61.300 -0.064 0.000 1.425 362 I CB -0.370 37.610 38.000 -0.033 0.000 1.079 362 I HN 0.361 nan 8.210 nan 0.000 0.425 363 E N 0.099 120.175 120.200 -0.206 0.000 2.122 363 E HA -0.150 4.174 4.350 -0.042 0.000 0.190 363 E C 2.009 178.400 176.600 -0.349 0.000 0.977 363 E CA 0.809 57.012 56.400 -0.329 0.000 0.820 363 E CB 0.242 29.629 29.700 -0.523 0.000 0.770 363 E HN 0.533 nan 8.360 nan 0.000 0.462 364 H N -0.489 118.529 119.070 -0.086 0.000 2.430 364 H HA 0.138 4.669 4.556 -0.042 0.000 0.297 364 H C 2.200 177.411 175.328 -0.196 0.000 1.016 364 H CA 0.498 56.481 56.048 -0.107 0.000 1.294 364 H CB 0.132 29.851 29.762 -0.072 0.000 1.465 364 H HN 0.140 nan 8.280 nan 0.000 0.547 365 L N 0.208 121.322 121.223 -0.180 0.000 2.084 365 L HA -0.069 4.246 4.340 -0.042 0.000 0.202 365 L C 2.450 178.745 176.870 -0.959 0.000 1.074 365 L CA 0.306 54.806 54.840 -0.567 0.000 0.757 365 L CB -0.408 41.269 42.059 -0.636 0.000 0.918 365 L HN 0.076 nan 8.230 nan 0.000 0.444 366 L N 1.203 122.002 121.223 -0.706 0.000 2.085 366 L HA -0.195 4.120 4.340 -0.042 0.000 0.218 366 L C -0.507 176.234 176.870 -0.214 0.000 1.080 366 L CA 2.405 57.008 54.840 -0.394 0.000 0.776 366 L CB -1.504 40.502 42.059 -0.089 0.000 0.891 366 L HN 0.091 nan 8.230 nan 0.000 0.437 367 P HA -0.136 nan 4.420 nan 0.000 0.216 367 P C 2.130 179.393 177.300 -0.062 0.000 1.153 367 P CA 1.384 64.439 63.100 -0.076 0.000 0.848 367 P CB -0.002 31.663 31.700 -0.060 0.000 0.787 368 L N -2.070 119.074 121.223 -0.133 0.000 1.994 368 L HA -0.178 4.137 4.340 -0.042 0.000 0.208 368 L C 2.495 179.406 176.870 0.067 0.000 1.071 368 L CA 1.653 56.459 54.840 -0.057 0.000 0.745 368 L CB -1.138 40.864 42.059 -0.094 0.000 0.892 368 L HN -0.043 nan 8.230 nan 0.000 0.431 369 F N -0.727 119.233 119.950 0.016 0.000 2.063 369 F HA -0.358 4.144 4.527 -0.042 0.000 0.298 369 F C 2.601 178.405 175.800 0.008 0.000 1.109 369 F CA 0.577 58.582 58.000 0.008 0.000 1.212 369 F CB -0.374 38.632 39.000 0.009 0.000 0.973 369 F HN 0.087 nan 8.300 nan 0.000 0.480 370 L N 0.642 121.991 121.223 0.210 0.000 2.043 370 L HA -0.256 4.059 4.340 -0.042 0.000 0.212 370 L C 2.652 179.573 176.870 0.085 0.000 1.075 370 L CA 2.152 57.066 54.840 0.122 0.000 0.752 370 L CB -1.627 40.479 42.059 0.078 0.000 0.891 370 L HN 0.159 nan 8.230 nan 0.000 0.432 371 A N -0.817 122.045 122.820 0.069 0.000 1.883 371 A HA -0.267 4.027 4.320 -0.042 0.000 0.217 371 A C 2.085 179.700 177.584 0.051 0.000 1.186 371 A CA 1.820 53.886 52.037 0.047 0.000 0.624 371 A CB -0.448 18.571 19.000 0.031 0.000 0.822 371 A HN 0.647 nan 8.150 nan 0.000 0.444 372 Q N -0.790 119.054 119.800 0.073 0.000 2.119 372 Q HA -0.015 4.300 4.340 -0.042 0.000 0.201 372 Q C 1.696 177.720 176.000 0.040 0.000 0.972 372 Q CA 0.753 56.590 55.803 0.056 0.000 0.847 372 Q CB -0.248 28.537 28.738 0.079 0.000 0.903 372 Q HN 0.441 nan 8.270 nan 0.000 0.433 373 L N 0.948 122.203 121.223 0.054 0.000 2.447 373 L HA -0.137 4.178 4.340 -0.042 0.000 0.225 373 L C 1.260 178.150 176.870 0.034 0.000 1.148 373 L CA 1.725 56.587 54.840 0.037 0.000 0.808 373 L CB -0.365 41.726 42.059 0.054 0.000 0.928 373 L HN 0.243 nan 8.230 nan 0.000 0.448 374 K N -1.367 119.054 120.400 0.034 0.000 2.413 374 K HA 0.094 4.389 4.320 -0.042 0.000 0.204 374 K C 0.484 177.095 176.600 0.018 0.000 1.041 374 K CA -0.357 55.947 56.287 0.028 0.000 1.082 374 K CB 1.118 33.638 32.500 0.033 0.000 0.871 374 K HN 0.175 nan 8.250 nan 0.000 0.535 375 D N 1.423 121.830 120.400 0.013 0.000 2.346 375 D HA -0.064 4.550 4.640 -0.042 0.000 0.236 375 D C 0.460 176.759 176.300 -0.002 0.000 1.259 375 D CA 0.655 54.657 54.000 0.004 0.000 0.898 375 D CB 1.090 41.888 40.800 -0.003 0.000 1.178 375 D HN -0.002 nan 8.370 nan 0.000 0.457 376 E N 0.092 120.288 120.200 -0.006 0.000 2.042 376 E HA 0.000 4.325 4.350 -0.042 0.000 0.189 376 E C 0.687 177.275 176.600 -0.019 0.000 0.974 376 E CA 0.190 56.585 56.400 -0.008 0.000 0.806 376 E CB -0.440 29.256 29.700 -0.007 0.000 0.769 376 E HN 0.368 nan 8.360 nan 0.000 0.451 377 C N 3.477 122.760 119.300 -0.029 0.000 2.531 377 C HA 0.016 4.451 4.460 -0.042 0.000 0.401 377 C C -1.248 173.709 174.990 -0.055 0.000 1.473 377 C CA -1.464 57.526 59.018 -0.048 0.000 1.472 377 C CB -0.064 27.640 27.740 -0.061 0.000 2.429 377 C HN 0.219 nan 8.230 nan 0.000 0.620 378 P HA -0.171 nan 4.420 nan 0.000 0.215 378 P C 1.481 178.729 177.300 -0.088 0.000 1.157 378 P CA 1.788 64.843 63.100 -0.075 0.000 0.874 378 P CB -0.018 31.627 31.700 -0.092 0.000 0.790 379 E N -0.418 119.722 120.200 -0.100 0.000 2.147 379 E HA -0.156 4.168 4.350 -0.042 0.000 0.199 379 E C 2.104 178.658 176.600 -0.078 0.000 1.005 379 E CA 1.104 57.443 56.400 -0.101 0.000 0.810 379 E CB -1.632 27.994 29.700 -0.125 0.000 0.736 379 E HN 0.158 nan 8.360 nan 0.000 0.460 380 V N 1.556 121.430 119.914 -0.067 0.000 2.244 380 V HA -0.247 3.848 4.120 -0.042 0.000 0.244 380 V C 2.543 178.613 176.094 -0.041 0.000 1.042 380 V CA 2.076 64.350 62.300 -0.044 0.000 1.006 380 V CB -0.499 31.305 31.823 -0.033 0.000 0.641 380 V HN 0.189 nan 8.190 nan 0.000 0.446 381 R N -0.424 120.052 120.500 -0.040 0.000 2.080 381 R HA -0.199 4.116 4.340 -0.042 0.000 0.236 381 R C 2.306 178.570 176.300 -0.059 0.000 1.137 381 R CA 1.898 57.976 56.100 -0.037 0.000 0.943 381 R CB -0.763 29.520 30.300 -0.028 0.000 0.846 381 R HN 0.386 nan 8.270 nan 0.000 0.431 382 L N 1.504 122.682 121.223 -0.075 0.000 2.013 382 L HA -0.254 4.061 4.340 -0.042 0.000 0.212 382 L C 1.544 178.359 176.870 -0.092 0.000 1.073 382 L CA 1.884 56.667 54.840 -0.095 0.000 0.753 382 L CB -0.377 41.612 42.059 -0.116 0.000 0.890 382 L HN 0.123 nan 8.230 nan 0.000 0.432 383 N N -0.778 117.876 118.700 -0.077 0.000 2.289 383 N HA -0.157 4.558 4.740 -0.042 0.000 0.184 383 N C 1.661 177.121 175.510 -0.084 0.000 1.016 383 N CA 1.059 54.069 53.050 -0.068 0.000 0.872 383 N CB -0.199 38.264 38.487 -0.039 0.000 0.973 383 N HN 0.313 nan 8.380 nan 0.000 0.433 384 I N 0.950 121.469 120.570 -0.085 0.000 2.277 384 I HA -0.075 4.069 4.170 -0.042 0.000 0.243 384 I C 1.665 177.674 176.117 -0.179 0.000 1.094 384 I CA 0.668 61.899 61.300 -0.115 0.000 1.393 384 I CB -0.597 37.364 38.000 -0.066 0.000 1.078 384 I HN 0.005 nan 8.210 nan 0.000 0.417 385 I N 1.286 121.760 120.570 -0.159 0.000 2.145 385 I HA -0.325 3.819 4.170 -0.042 0.000 0.244 385 I C 2.429 178.364 176.117 -0.303 0.000 1.075 385 I CA 1.892 63.061 61.300 -0.218 0.000 1.332 385 I CB -1.755 36.157 38.000 -0.146 0.000 1.033 385 I HN 0.277 nan 8.210 nan 0.000 0.410 386 S N 0.657 116.229 115.700 -0.213 0.000 2.571 386 S HA -0.094 4.350 4.470 -0.042 0.000 0.245 386 S C 1.167 175.643 174.600 -0.206 0.000 0.976 386 S CA 0.824 58.909 58.200 -0.191 0.000 0.954 386 S CB -0.564 62.561 63.200 -0.126 0.000 0.756 386 S HN 0.538 nan 8.310 nan 0.000 0.535 387 N N 0.343 118.889 118.700 -0.257 0.000 2.170 387 N HA 0.297 5.011 4.740 -0.042 0.000 0.222 387 N C 0.637 175.968 175.510 -0.298 0.000 1.218 387 N CA -0.003 52.905 53.050 -0.237 0.000 0.889 387 N CB 0.392 38.751 38.487 -0.214 0.000 1.083 387 N HN 0.385 nan 8.380 nan 0.000 0.520 388 L N 0.611 121.575 121.223 -0.431 0.000 2.610 388 L HA -0.013 4.302 4.340 -0.042 0.000 0.232 388 L C 0.971 177.703 176.870 -0.231 0.000 1.149 388 L CA 0.549 55.128 54.840 -0.436 0.000 0.872 388 L CB -0.221 41.409 42.059 -0.715 0.000 0.992 388 L HN -0.115 nan 8.230 nan 0.000 0.447 389 D N -0.431 119.867 120.400 -0.171 0.000 2.182 389 D HA -0.196 4.418 4.640 -0.042 0.000 0.201 389 D C 2.021 178.359 176.300 0.063 0.000 0.986 389 D CA 1.087 55.133 54.000 0.077 0.000 0.847 389 D CB -0.127 40.690 40.800 0.028 0.000 0.942 389 D HN 0.405 nan 8.370 nan 0.000 0.467 390 C N -0.206 119.090 119.300 -0.008 0.000 3.529 390 C HA -0.025 4.409 4.460 -0.042 0.000 0.288 390 C C 2.734 177.734 174.990 0.016 0.000 1.353 390 C CA 1.387 60.406 59.018 0.001 0.000 1.705 390 C CB -0.759 26.970 27.740 -0.020 0.000 2.156 390 C HN 0.295 nan 8.230 nan 0.000 0.555 391 V N 3.365 123.273 119.914 -0.009 0.000 2.473 391 V HA -0.488 3.607 4.120 -0.042 0.000 0.224 391 V C 1.748 177.876 176.094 0.058 0.000 1.070 391 V CA 3.519 65.837 62.300 0.029 0.000 1.074 391 V CB -2.608 29.223 31.823 0.013 0.000 1.007 391 V HN 0.876 nan 8.190 nan 0.000 0.474 392 N N 1.619 120.355 118.700 0.060 0.000 2.334 392 N HA -0.211 4.504 4.740 -0.042 0.000 0.187 392 N C 1.465 176.998 175.510 0.039 0.000 1.016 392 N CA 2.094 55.175 53.050 0.052 0.000 0.879 392 N CB -0.754 37.760 38.487 0.045 0.000 0.965 392 N HN 0.826 nan 8.380 nan 0.000 0.438 393 E N -0.393 119.828 120.200 0.036 0.000 2.358 393 E HA -0.016 4.309 4.350 -0.042 0.000 0.195 393 E C 1.160 177.781 176.600 0.033 0.000 1.010 393 E CA 0.655 57.071 56.400 0.028 0.000 0.856 393 E CB 0.254 29.968 29.700 0.022 0.000 0.795 393 E HN 0.350 nan 8.360 nan 0.000 0.504 394 V N 1.678 121.619 119.914 0.046 0.000 2.735 394 V HA 0.049 4.144 4.120 -0.042 0.000 0.234 394 V C 1.452 177.579 176.094 0.055 0.000 1.121 394 V CA 0.299 62.631 62.300 0.054 0.000 1.160 394 V CB -0.061 31.806 31.823 0.074 0.000 0.908 394 V HN 0.177 nan 8.190 nan 0.000 0.495 395 I N 0.015 120.628 120.570 0.071 0.000 3.322 395 I HA 0.612 4.756 4.170 -0.042 0.000 0.296 395 I C 0.836 176.982 176.117 0.048 0.000 1.101 395 I CA -0.043 61.295 61.300 0.063 0.000 1.166 395 I CB 0.019 38.070 38.000 0.086 0.000 1.475 395 I HN 0.198 nan 8.210 nan 0.000 0.665 396 G N 0.618 109.443 108.800 0.041 0.000 2.616 396 G HA2 0.286 4.221 3.960 -0.042 0.000 0.268 396 G HA3 0.286 4.221 3.960 -0.042 0.000 0.268 396 G C 0.198 175.118 174.900 0.033 0.000 1.213 396 G CA -0.540 44.580 45.100 0.033 0.000 0.926 396 G HN 0.744 nan 8.290 nan 0.000 0.523 397 I N -0.202 120.382 120.570 0.024 0.000 3.111 397 I HA 0.035 4.180 4.170 -0.042 0.000 0.272 397 I C 2.662 178.788 176.117 0.016 0.000 1.268 397 I CA 0.472 61.779 61.300 0.012 0.000 1.467 397 I CB -0.154 37.848 38.000 0.003 0.000 1.087 397 I HN 0.622 nan 8.210 nan 0.000 0.467 398 R N -0.980 119.538 120.500 0.030 0.000 2.055 398 R HA 0.039 4.354 4.340 -0.042 0.000 0.221 398 R C 1.880 178.207 176.300 0.046 0.000 1.154 398 R CA 0.266 56.391 56.100 0.042 0.000 0.975 398 R CB -1.094 29.232 30.300 0.042 0.000 0.869 398 R HN 0.215 nan 8.270 nan 0.000 0.437 399 Q N 1.340 121.166 119.800 0.043 0.000 2.133 399 Q HA -0.174 4.141 4.340 -0.042 0.000 0.208 399 Q C 2.154 178.189 176.000 0.058 0.000 0.991 399 Q CA 1.472 57.304 55.803 0.048 0.000 0.867 399 Q CB -0.456 28.310 28.738 0.047 0.000 0.911 399 Q HN 0.262 nan 8.270 nan 0.000 0.417 400 L N 0.787 122.043 121.223 0.055 0.000 1.933 400 L HA -0.209 4.106 4.340 -0.042 0.000 0.220 400 L C 2.174 179.074 176.870 0.050 0.000 1.078 400 L CA 2.786 57.661 54.840 0.059 0.000 0.773 400 L CB -1.186 40.898 42.059 0.040 0.000 0.890 400 L HN 0.288 nan 8.230 nan 0.000 0.434 401 S N -1.755 113.957 115.700 0.020 0.000 2.595 401 S HA -0.168 4.277 4.470 -0.042 0.000 0.235 401 S C 1.745 176.397 174.600 0.087 0.000 0.974 401 S CA 1.080 59.295 58.200 0.024 0.000 0.942 401 S CB -0.442 62.742 63.200 -0.028 0.000 0.766 401 S HN 0.699 nan 8.310 nan 0.000 0.536 402 Q N 1.420 121.265 119.800 0.075 0.000 2.141 402 Q HA 0.119 4.433 4.340 -0.042 0.000 0.194 402 Q C -0.026 176.016 176.000 0.070 0.000 0.975 402 Q CA 0.924 56.772 55.803 0.075 0.000 0.834 402 Q CB 0.349 29.123 28.738 0.061 0.000 0.916 402 Q HN 0.604 nan 8.270 nan 0.000 0.484 403 S N 0.528 116.269 115.700 0.067 0.000 2.252 403 S HA 0.426 4.871 4.470 -0.042 0.000 0.180 403 S C -0.179 174.472 174.600 0.085 0.000 1.534 403 S CA -0.336 57.905 58.200 0.068 0.000 1.141 403 S CB 1.429 64.663 63.200 0.056 0.000 1.122 403 S HN 0.382 nan 8.310 nan 0.000 0.475 404 L N 0.673 121.950 121.223 0.090 0.000 1.471 404 L HA 0.095 4.410 4.340 -0.042 0.000 0.149 404 L C 1.041 177.976 176.870 0.108 0.000 1.322 404 L CA 0.643 55.546 54.840 0.105 0.000 1.269 404 L CB -0.712 41.416 42.059 0.115 0.000 2.567 404 L HN 0.465 nan 8.230 nan 0.000 0.480 405 L N 1.708 122.989 121.223 0.096 0.000 2.046 405 L HA -0.040 4.275 4.340 -0.042 0.000 0.208 405 L C -0.590 176.346 176.870 0.109 0.000 1.077 405 L CA 2.477 57.373 54.840 0.094 0.000 0.747 405 L CB -1.528 40.572 42.059 0.068 0.000 0.896 405 L HN 0.146 nan 8.230 nan 0.000 0.432 406 P HA -0.155 nan 4.420 nan 0.000 0.215 406 P C 1.625 178.979 177.300 0.091 0.000 1.157 406 P CA 2.106 65.261 63.100 0.092 0.000 0.874 406 P CB -0.038 31.709 31.700 0.078 0.000 0.790 407 A N -0.483 122.393 122.820 0.092 0.000 1.855 407 A HA -0.165 4.130 4.320 -0.042 0.000 0.215 407 A C 2.173 179.824 177.584 0.112 0.000 1.191 407 A CA 1.431 53.523 52.037 0.091 0.000 0.613 407 A CB -1.696 17.355 19.000 0.084 0.000 0.829 407 A HN 0.085 nan 8.150 nan 0.000 0.442 408 I N -0.328 120.321 120.570 0.132 0.000 2.479 408 I HA -0.252 3.893 4.170 -0.042 0.000 0.258 408 I C 2.112 178.341 176.117 0.187 0.000 1.165 408 I CA 0.964 62.371 61.300 0.177 0.000 1.422 408 I CB -0.216 37.921 38.000 0.227 0.000 1.087 408 I HN 0.189 nan 8.210 nan 0.000 0.441 409 V N -0.036 119.967 119.914 0.148 0.000 2.575 409 V HA -0.162 3.933 4.120 -0.042 0.000 0.242 409 V C 2.340 178.515 176.094 0.135 0.000 1.045 409 V CA 1.389 63.771 62.300 0.136 0.000 1.065 409 V CB -0.029 31.853 31.823 0.097 0.000 0.717 409 V HN 0.364 nan 8.190 nan 0.000 0.467 410 E N -0.012 120.256 120.200 0.113 0.000 2.038 410 E HA -0.222 4.103 4.350 -0.042 0.000 0.195 410 E C 2.219 178.894 176.600 0.125 0.000 1.000 410 E CA 1.285 57.747 56.400 0.102 0.000 0.803 410 E CB -0.044 29.705 29.700 0.082 0.000 0.750 410 E HN 0.265 nan 8.360 nan 0.000 0.448 411 L N 0.643 121.942 121.223 0.126 0.000 2.129 411 L HA -0.170 4.145 4.340 -0.042 0.000 0.212 411 L C 2.322 179.299 176.870 0.179 0.000 1.087 411 L CA 1.686 56.601 54.840 0.125 0.000 0.757 411 L CB -1.532 40.588 42.059 0.103 0.000 0.896 411 L HN 0.186 nan 8.230 nan 0.000 0.434 412 A N -0.956 122.023 122.820 0.266 0.000 2.277 412 A HA -0.124 4.171 4.320 -0.042 0.000 0.208 412 A C 1.422 179.296 177.584 0.484 0.000 1.202 412 A CA 1.130 53.453 52.037 0.476 0.000 0.762 412 A CB -0.394 18.972 19.000 0.610 0.000 0.770 412 A HN 0.595 nan 8.150 nan 0.000 0.487 413 E N -0.239 120.129 120.200 0.281 0.000 2.835 413 E HA -0.000 4.324 4.350 -0.042 0.000 0.183 413 E C -0.880 175.818 176.600 0.163 0.000 0.934 413 E CA -0.251 56.293 56.400 0.240 0.000 1.324 413 E CB 0.395 30.212 29.700 0.196 0.000 1.038 413 E HN 0.783 nan 8.360 nan 0.000 0.481 414 D N 0.319 120.799 120.400 0.133 0.000 2.363 414 D HA 0.084 4.698 4.640 -0.042 0.000 0.240 414 D C 1.102 177.460 176.300 0.096 0.000 1.236 414 D CA 0.374 54.430 54.000 0.093 0.000 0.927 414 D CB 1.239 42.078 40.800 0.065 0.000 1.150 414 D HN -0.025 nan 8.370 nan 0.000 0.458 415 A N 1.850 124.714 122.820 0.074 0.000 1.836 415 A HA -0.179 4.116 4.320 -0.042 0.000 0.215 415 A C 0.894 178.532 177.584 0.091 0.000 1.214 415 A CA 1.157 53.240 52.037 0.076 0.000 0.636 415 A CB -0.720 18.311 19.000 0.051 0.000 0.847 415 A HN 0.605 nan 8.150 nan 0.000 0.451 416 K N 1.732 122.160 120.400 0.046 0.000 2.440 416 K HA -0.116 4.179 4.320 -0.042 0.000 0.275 416 K C 1.104 177.720 176.600 0.027 0.000 1.082 416 K CA 0.330 56.622 56.287 0.010 0.000 1.135 416 K CB -0.330 32.123 32.500 -0.078 0.000 0.864 416 K HN 0.854 nan 8.250 nan 0.000 0.479 417 W N 5.132 126.433 121.300 0.002 0.000 2.342 417 W HA -0.200 4.435 4.660 -0.042 0.000 0.297 417 W C 0.920 177.412 176.519 -0.044 0.000 1.213 417 W CA 0.506 57.843 57.345 -0.014 0.000 1.251 417 W CB -0.517 28.944 29.460 0.001 0.000 1.136 417 W HN 0.476 nan 8.180 nan 0.000 0.526 418 R N 0.790 120.807 120.500 -0.804 0.000 2.200 418 R HA -0.107 4.208 4.340 -0.042 0.000 0.234 418 R C 2.242 178.350 176.300 -0.320 0.000 1.127 418 R CA 1.656 57.268 56.100 -0.814 0.000 0.989 418 R CB -0.336 29.399 30.300 -0.942 0.000 0.869 418 R HN 0.179 nan 8.270 nan 0.000 0.459 419 V N 0.383 120.174 119.914 -0.206 0.000 2.649 419 V HA -0.123 3.971 4.120 -0.042 0.000 0.248 419 V C 2.176 178.227 176.094 -0.071 0.000 1.054 419 V CA 1.304 63.535 62.300 -0.115 0.000 1.073 419 V CB -0.287 31.492 31.823 -0.073 0.000 0.699 419 V HN 0.276 nan 8.190 nan 0.000 0.463 420 R N -0.295 120.181 120.500 -0.041 0.000 2.092 420 R HA -0.104 4.211 4.340 -0.042 0.000 0.231 420 R C 2.228 178.396 176.300 -0.219 0.000 1.119 420 R CA 1.215 57.263 56.100 -0.088 0.000 0.970 420 R CB -0.580 29.698 30.300 -0.036 0.000 0.864 420 R HN 0.350 nan 8.270 nan 0.000 0.440 421 L N 1.325 122.486 121.223 -0.103 0.000 2.013 421 L HA -0.163 4.151 4.340 -0.042 0.000 0.212 421 L C 2.291 179.081 176.870 -0.134 0.000 1.073 421 L CA 2.033 56.814 54.840 -0.098 0.000 0.753 421 L CB -0.822 41.274 42.059 0.061 0.000 0.890 421 L HN 0.142 nan 8.230 nan 0.000 0.432 422 A N -0.305 122.449 122.820 -0.110 0.000 1.908 422 A HA -0.200 4.095 4.320 -0.042 0.000 0.218 422 A C 2.191 179.750 177.584 -0.043 0.000 1.181 422 A CA 2.043 54.031 52.037 -0.082 0.000 0.627 422 A CB -0.777 18.168 19.000 -0.093 0.000 0.818 422 A HN 0.465 nan 8.150 nan 0.000 0.445 423 I N 0.169 120.711 120.570 -0.046 0.000 2.179 423 I HA -0.221 3.924 4.170 -0.042 0.000 0.242 423 I C 2.445 178.571 176.117 0.014 0.000 1.088 423 I CA 1.244 62.584 61.300 0.068 0.000 1.357 423 I CB -1.207 36.866 38.000 0.121 0.000 1.051 423 I HN 0.328 nan 8.210 nan 0.000 0.409 424 I N 0.655 121.020 120.570 -0.341 0.000 2.264 424 I HA -0.283 3.861 4.170 -0.042 0.000 0.248 424 I C 2.364 178.444 176.117 -0.062 0.000 1.111 424 I CA 1.314 62.353 61.300 -0.436 0.000 1.382 424 I CB -0.440 37.141 38.000 -0.700 0.000 1.060 424 I HN 0.320 nan 8.210 nan 0.000 0.418 425 E N -0.009 120.170 120.200 -0.034 0.000 2.152 425 E HA -0.225 4.099 4.350 -0.042 0.000 0.192 425 E C 1.980 178.652 176.600 0.119 0.000 0.983 425 E CA 1.051 57.468 56.400 0.028 0.000 0.818 425 E CB -0.187 29.515 29.700 0.004 0.000 0.758 425 E HN 0.522 nan 8.360 nan 0.000 0.467 426 Y N 1.195 121.491 120.300 -0.006 0.000 2.395 426 Y HA -0.098 4.427 4.550 -0.042 0.000 0.293 426 Y C 2.186 178.118 175.900 0.054 0.000 1.123 426 Y CA 0.672 58.780 58.100 0.014 0.000 1.227 426 Y CB -0.144 38.326 38.460 0.016 0.000 1.012 426 Y HN -0.079 nan 8.280 nan 0.000 0.552 427 M N 1.587 121.258 119.600 0.119 0.000 2.352 427 M HA -0.218 4.237 4.480 -0.042 0.000 0.260 427 M C -0.649 175.627 176.300 -0.040 0.000 1.068 427 M CA 2.764 58.112 55.300 0.080 0.000 1.082 427 M CB -1.629 31.170 32.600 0.331 0.000 1.262 427 M HN 0.105 nan 8.290 nan 0.000 0.444 428 P HA -0.240 nan 4.420 nan 0.000 0.220 428 P C 1.812 178.991 177.300 -0.201 0.000 1.155 428 P CA 1.969 64.977 63.100 -0.153 0.000 0.880 428 P CB -0.366 31.268 31.700 -0.110 0.000 0.790 429 L N -0.878 120.254 121.223 -0.150 0.000 1.961 429 L HA -0.116 4.199 4.340 -0.042 0.000 0.209 429 L C 2.796 179.509 176.870 -0.261 0.000 1.075 429 L CA 1.112 55.858 54.840 -0.156 0.000 0.749 429 L CB -1.294 40.748 42.059 -0.028 0.000 0.890 429 L HN -0.034 nan 8.230 nan 0.000 0.433 430 L N 0.141 121.049 121.223 -0.525 0.000 2.270 430 L HA -0.256 4.059 4.340 -0.042 0.000 0.217 430 L C 2.486 179.203 176.870 -0.255 0.000 1.107 430 L CA 1.996 56.495 54.840 -0.568 0.000 0.772 430 L CB -0.836 40.590 42.059 -1.056 0.000 0.902 430 L HN 0.316 nan 8.230 nan 0.000 0.439 431 A N -0.267 122.455 122.820 -0.163 0.000 1.832 431 A HA -0.041 4.253 4.320 -0.042 0.000 0.214 431 A C 2.364 179.944 177.584 -0.007 0.000 1.204 431 A CA 1.321 53.356 52.037 -0.004 0.000 0.606 431 A CB -1.355 17.544 19.000 -0.169 0.000 0.849 431 A HN 0.436 nan 8.150 nan 0.000 0.445 432 G N -0.797 107.878 108.800 -0.208 0.000 2.462 432 G HA2 -0.219 3.716 3.960 -0.042 0.000 0.220 432 G HA3 -0.219 3.716 3.960 -0.042 0.000 0.220 432 G C 1.564 176.439 174.900 -0.041 0.000 1.121 432 G CA 1.024 46.037 45.100 -0.146 0.000 0.758 432 G HN 0.660 nan 8.290 nan 0.000 0.559 433 Q N -0.358 119.394 119.800 -0.080 0.000 2.079 433 Q HA 0.069 4.384 4.340 -0.042 0.000 0.200 433 Q C 2.569 178.535 176.000 -0.057 0.000 0.974 433 Q CA 0.820 56.584 55.803 -0.066 0.000 0.840 433 Q CB -0.215 28.472 28.738 -0.086 0.000 0.898 433 Q HN 0.450 nan 8.270 nan 0.000 0.430 434 L N -0.609 120.558 121.223 -0.092 0.000 2.240 434 L HA 0.100 4.415 4.340 -0.042 0.000 0.211 434 L C 0.796 177.668 176.870 0.004 0.000 1.106 434 L CA 0.469 55.225 54.840 -0.139 0.000 0.793 434 L CB -0.197 41.591 42.059 -0.453 0.000 0.927 434 L HN 0.315 nan 8.230 nan 0.000 0.446 435 G N -0.766 108.078 108.800 0.073 0.000 2.911 435 G HA2 -0.177 3.758 3.960 -0.042 0.000 0.686 435 G HA3 -0.177 3.758 3.960 -0.042 0.000 0.686 435 G C 0.105 174.999 174.900 -0.009 0.000 1.136 435 G CA -0.329 44.817 45.100 0.077 0.000 0.764 435 G HN -0.198 nan 8.290 nan 0.000 0.626 436 V N 1.838 121.512 119.914 -0.399 0.000 2.324 436 V HA -0.198 3.897 4.120 -0.042 0.000 0.250 436 V C 2.874 178.763 176.094 -0.342 0.000 1.060 436 V CA 3.343 64.988 62.300 -1.093 0.000 1.042 436 V CB -0.187 30.738 31.823 -1.497 0.000 0.650 436 V HN 1.137 nan 8.190 nan 0.000 0.450 437 E N -0.063 120.046 120.200 -0.151 0.000 2.085 437 E HA -0.312 4.013 4.350 -0.042 0.000 0.194 437 E C 2.115 178.756 176.600 0.068 0.000 0.994 437 E CA 2.383 58.766 56.400 -0.028 0.000 0.801 437 E CB -1.110 28.582 29.700 -0.013 0.000 0.743 437 E HN 0.615 nan 8.360 nan 0.000 0.453 438 F N 0.907 120.842 119.950 -0.024 0.000 2.113 438 F HA -0.031 4.470 4.527 -0.042 0.000 0.297 438 F C 2.268 178.088 175.800 0.033 0.000 1.103 438 F CA 1.029 59.033 58.000 0.008 0.000 1.248 438 F CB -0.869 38.148 39.000 0.028 0.000 0.999 438 F HN 0.040 nan 8.300 nan 0.000 0.475 439 F N 1.659 121.792 119.950 0.303 0.000 2.043 439 F HA -0.334 4.168 4.527 -0.042 0.000 0.297 439 F C 2.428 178.329 175.800 0.168 0.000 1.118 439 F CA 2.507 60.640 58.000 0.221 0.000 1.202 439 F CB -0.876 38.185 39.000 0.102 0.000 0.965 439 F HN -0.008 nan 8.300 nan 0.000 0.482 440 D N 0.080 120.628 120.400 0.246 0.000 2.116 440 D HA -0.252 4.362 4.640 -0.042 0.000 0.193 440 D C 2.208 178.491 176.300 -0.028 0.000 0.998 440 D CA 1.788 55.870 54.000 0.137 0.000 0.836 440 D CB -0.575 40.334 40.800 0.181 0.000 0.951 440 D HN 0.555 nan 8.370 nan 0.000 0.449 441 E N 0.007 120.174 120.200 -0.055 0.000 2.023 441 E HA -0.148 4.177 4.350 -0.042 0.000 0.196 441 E C 0.296 176.798 176.600 -0.164 0.000 1.003 441 E CA 1.052 57.369 56.400 -0.139 0.000 0.809 441 E CB 0.342 29.898 29.700 -0.239 0.000 0.755 441 E HN -0.109 nan 8.360 nan 0.000 0.449 442 K N -0.232 120.068 120.400 -0.166 0.000 3.098 442 K HA 0.199 4.493 4.320 -0.042 0.000 0.170 442 K C -0.665 175.900 176.600 -0.059 0.000 1.106 442 K CA -0.073 56.142 56.287 -0.120 0.000 0.864 442 K CB 1.271 33.694 32.500 -0.127 0.000 1.047 442 K HN 0.103 nan 8.250 nan 0.000 0.609 443 L N -0.075 120.992 121.223 -0.261 0.000 4.293 443 L HA 0.095 4.410 4.340 -0.042 0.000 0.441 443 L C 1.187 177.595 176.870 -0.770 0.000 0.914 443 L CA 0.639 55.234 54.840 -0.408 0.000 1.791 443 L CB 0.086 41.946 42.059 -0.332 0.000 2.207 443 L HN 0.258 nan 8.230 nan 0.000 0.614 444 N N -0.339 117.838 118.700 -0.872 0.000 2.270 444 N HA -0.146 4.569 4.740 -0.042 0.000 0.181 444 N C 1.776 177.112 175.510 -0.290 0.000 1.016 444 N CA 1.647 54.334 53.050 -0.605 0.000 0.870 444 N CB 0.209 38.561 38.487 -0.225 0.000 0.979 444 N HN 0.431 nan 8.380 nan 0.000 0.431 445 S N -0.193 115.341 115.700 -0.276 0.000 2.382 445 S HA -0.101 4.343 4.470 -0.042 0.000 0.228 445 S C 1.826 176.241 174.600 -0.309 0.000 1.027 445 S CA 0.842 58.909 58.200 -0.222 0.000 0.991 445 S CB -0.574 62.520 63.200 -0.176 0.000 0.823 445 S HN 0.196 nan 8.310 nan 0.000 0.469 446 L N 1.647 122.610 121.223 -0.434 0.000 2.017 446 L HA -0.014 4.300 4.340 -0.042 0.000 0.208 446 L C 2.906 179.125 176.870 -1.085 0.000 1.073 446 L CA 1.138 55.529 54.840 -0.749 0.000 0.745 446 L CB -1.446 40.135 42.059 -0.798 0.000 0.894 446 L HN 0.399 nan 8.230 nan 0.000 0.432 447 C N -0.839 118.029 119.300 -0.720 0.000 2.419 447 C HA -0.139 4.295 4.460 -0.042 0.000 0.281 447 C C 2.829 177.772 174.990 -0.078 0.000 1.336 447 C CA 0.553 59.394 59.018 -0.294 0.000 1.770 447 C CB -0.775 27.057 27.740 0.154 0.000 1.929 447 C HN 0.503 nan 8.230 nan 0.000 0.509 448 M N 0.558 120.075 119.600 -0.139 0.000 2.334 448 M HA 0.034 4.489 4.480 -0.042 0.000 0.266 448 M C 2.519 178.783 176.300 -0.061 0.000 1.082 448 M CA 1.520 56.785 55.300 -0.058 0.000 1.141 448 M CB -1.419 31.139 32.600 -0.070 0.000 1.380 448 M HN 0.385 nan 8.290 nan 0.000 0.440 449 A N -0.228 122.499 122.820 -0.156 0.000 1.898 449 A HA -0.157 4.137 4.320 -0.042 0.000 0.216 449 A C 1.826 179.435 177.584 0.042 0.000 1.181 449 A CA 1.026 53.005 52.037 -0.097 0.000 0.620 449 A CB -0.937 17.959 19.000 -0.172 0.000 0.819 449 A HN 0.574 nan 8.150 nan 0.000 0.442 450 W N -0.779 120.527 121.300 0.010 0.000 2.392 450 W HA -0.059 4.576 4.660 -0.042 0.000 0.279 450 W C 1.579 178.073 176.519 -0.042 0.000 1.225 450 W CA 0.499 57.844 57.345 -0.001 0.000 1.233 450 W CB -1.062 28.412 29.460 0.023 0.000 1.122 450 W HN 0.286 nan 8.180 nan 0.000 0.561 451 L N -0.189 121.144 121.223 0.183 0.000 2.549 451 L HA -0.096 4.219 4.340 -0.042 0.000 0.230 451 L C 1.354 178.219 176.870 -0.009 0.000 1.162 451 L CA 1.370 56.251 54.840 0.069 0.000 0.834 451 L CB -0.549 41.545 42.059 0.058 0.000 0.947 451 L HN -0.256 nan 8.230 nan 0.000 0.452 452 V N -1.709 118.213 119.914 0.014 0.000 3.166 452 V HA 0.161 4.255 4.120 -0.042 0.000 0.332 452 V C 0.424 176.482 176.094 -0.061 0.000 1.434 452 V CA -0.586 61.703 62.300 -0.018 0.000 1.121 452 V CB 0.213 32.098 31.823 0.103 0.000 1.062 452 V HN 0.208 nan 8.190 nan 0.000 0.489 453 D N 0.265 120.643 120.400 -0.036 0.000 2.378 453 D HA -0.031 4.583 4.640 -0.042 0.000 0.238 453 D C 1.180 177.400 176.300 -0.133 0.000 1.180 453 D CA 0.488 54.470 54.000 -0.031 0.000 0.895 453 D CB 1.031 41.877 40.800 0.077 0.000 1.192 453 D HN 0.409 nan 8.370 nan 0.000 0.438 454 H N 0.460 119.562 119.070 0.053 0.000 2.270 454 H HA -0.028 4.502 4.556 -0.042 0.000 0.299 454 H C 0.662 175.977 175.328 -0.022 0.000 1.077 454 H CA 0.802 56.876 56.048 0.045 0.000 1.294 454 H CB -0.182 29.615 29.762 0.058 0.000 1.371 454 H HN 0.080 nan 8.280 nan 0.000 0.491 455 V N 2.641 122.596 119.914 0.068 0.000 2.421 455 V HA -0.112 3.983 4.120 -0.042 0.000 0.271 455 V C 1.130 177.135 176.094 -0.148 0.000 1.031 455 V CA -0.061 62.170 62.300 -0.115 0.000 1.032 455 V CB -0.534 31.082 31.823 -0.345 0.000 1.009 455 V HN 0.462 nan 8.190 nan 0.000 0.477 456 Y N 7.117 127.280 120.300 -0.228 0.000 2.030 456 Y HA -0.356 4.168 4.550 -0.042 0.000 0.272 456 Y C 2.164 177.913 175.900 -0.251 0.000 1.185 456 Y CA 2.992 60.966 58.100 -0.210 0.000 1.120 456 Y CB -0.716 37.638 38.460 -0.177 0.000 0.955 456 Y HN 0.761 nan 8.280 nan 0.000 0.495 457 A N 0.908 123.683 122.820 -0.074 0.000 1.935 457 A HA -0.334 3.960 4.320 -0.042 0.000 0.224 457 A C 2.250 179.668 177.584 -0.276 0.000 1.324 457 A CA 2.732 54.621 52.037 -0.246 0.000 0.686 457 A CB -1.275 17.242 19.000 -0.805 0.000 0.837 457 A HN 0.599 nan 8.150 nan 0.000 0.481 458 I N -0.710 119.696 120.570 -0.273 0.000 2.133 458 I HA -0.195 3.949 4.170 -0.042 0.000 0.238 458 I C 2.614 178.612 176.117 -0.198 0.000 1.074 458 I CA 1.738 62.935 61.300 -0.171 0.000 1.342 458 I CB -1.446 36.494 38.000 -0.100 0.000 1.053 458 I HN 0.401 nan 8.210 nan 0.000 0.404 459 R N 0.430 120.786 120.500 -0.240 0.000 2.117 459 R HA -0.240 4.075 4.340 -0.042 0.000 0.243 459 R C 2.120 178.231 176.300 -0.316 0.000 1.143 459 R CA 1.589 57.548 56.100 -0.234 0.000 0.968 459 R CB -0.457 29.664 30.300 -0.299 0.000 0.863 459 R HN 0.518 nan 8.270 nan 0.000 0.444 460 E N 0.887 120.750 120.200 -0.561 0.000 2.017 460 E HA -0.196 4.129 4.350 -0.042 0.000 0.193 460 E C 1.978 178.432 176.600 -0.243 0.000 0.997 460 E CA 1.322 57.398 56.400 -0.540 0.000 0.804 460 E CB -0.076 29.227 29.700 -0.662 0.000 0.757 460 E HN 0.367 nan 8.360 nan 0.000 0.448 461 A N 0.863 123.575 122.820 -0.181 0.000 2.019 461 A HA -0.062 4.233 4.320 -0.042 0.000 0.219 461 A C 2.254 179.812 177.584 -0.043 0.000 1.164 461 A CA 1.645 53.626 52.037 -0.094 0.000 0.644 461 A CB -0.497 18.450 19.000 -0.087 0.000 0.805 461 A HN 0.412 nan 8.150 nan 0.000 0.449 462 A N -1.098 121.709 122.820 -0.021 0.000 1.929 462 A HA 0.009 4.303 4.320 -0.042 0.000 0.216 462 A C 2.264 179.907 177.584 0.098 0.000 1.176 462 A CA 2.002 54.113 52.037 0.124 0.000 0.628 462 A CB -0.948 18.175 19.000 0.205 0.000 0.816 462 A HN 0.405 nan 8.150 nan 0.000 0.444 463 T N -0.602 113.962 114.554 0.017 0.000 2.701 463 T HA -0.129 4.196 4.350 -0.042 0.000 0.263 463 T C 2.278 176.994 174.700 0.027 0.000 1.040 463 T CA 1.692 63.804 62.100 0.021 0.000 1.147 463 T CB -0.397 68.457 68.868 -0.023 0.000 0.865 463 T HN 0.481 nan 8.240 nan 0.000 0.426 464 S N 1.190 116.888 115.700 -0.004 0.000 2.370 464 S HA -0.205 4.240 4.470 -0.042 0.000 0.226 464 S C 2.100 176.718 174.600 0.030 0.000 1.033 464 S CA 1.603 59.803 58.200 0.002 0.000 1.011 464 S CB -0.757 62.432 63.200 -0.018 0.000 0.852 464 S HN 0.564 nan 8.310 nan 0.000 0.457 465 N N 0.401 119.135 118.700 0.057 0.000 2.094 465 N HA -0.136 4.579 4.740 -0.042 0.000 0.191 465 N C 1.857 177.431 175.510 0.105 0.000 1.023 465 N CA 1.545 54.652 53.050 0.095 0.000 0.857 465 N CB -0.241 38.356 38.487 0.182 0.000 1.013 465 N HN 0.434 nan 8.380 nan 0.000 0.426 466 L N 1.169 122.465 121.223 0.122 0.000 2.012 466 L HA -0.211 4.103 4.340 -0.042 0.000 0.210 466 L C 2.722 179.656 176.870 0.107 0.000 1.073 466 L CA 1.394 56.318 54.840 0.139 0.000 0.748 466 L CB -0.652 41.479 42.059 0.119 0.000 0.891 466 L HN 0.277 nan 8.230 nan 0.000 0.431 467 K N 0.859 121.300 120.400 0.067 0.000 2.044 467 K HA -0.232 4.063 4.320 -0.042 0.000 0.210 467 K C 2.112 178.720 176.600 0.014 0.000 1.049 467 K CA 1.655 57.969 56.287 0.045 0.000 0.927 467 K CB 0.001 32.517 32.500 0.027 0.000 0.713 467 K HN 0.231 nan 8.250 nan 0.000 0.443 468 K N 0.451 120.845 120.400 -0.009 0.000 2.147 468 K HA -0.102 4.193 4.320 -0.042 0.000 0.205 468 K C 2.169 178.678 176.600 -0.152 0.000 1.049 468 K CA 1.133 57.379 56.287 -0.068 0.000 0.936 468 K CB -0.051 32.413 32.500 -0.061 0.000 0.722 468 K HN 0.227 nan 8.250 nan 0.000 0.446 469 L N 0.393 121.543 121.223 -0.121 0.000 2.044 469 L HA -0.149 4.166 4.340 -0.042 0.000 0.205 469 L C 2.320 179.064 176.870 -0.209 0.000 1.075 469 L CA 0.750 55.413 54.840 -0.296 0.000 0.747 469 L CB -0.504 41.519 42.059 -0.061 0.000 0.903 469 L HN -0.057 nan 8.230 nan 0.000 0.435 470 V N 0.164 120.147 119.914 0.116 0.000 2.380 470 V HA -0.311 3.784 4.120 -0.042 0.000 0.251 470 V C 2.341 178.455 176.094 0.033 0.000 1.063 470 V CA 1.910 64.335 62.300 0.208 0.000 1.055 470 V CB -0.667 31.270 31.823 0.191 0.000 0.657 470 V HN 0.494 nan 8.190 nan 0.000 0.455 471 E N -0.256 119.912 120.200 -0.054 0.000 2.106 471 E HA -0.244 4.081 4.350 -0.042 0.000 0.192 471 E C 2.225 178.729 176.600 -0.160 0.000 0.984 471 E CA 1.124 57.476 56.400 -0.080 0.000 0.806 471 E CB -0.104 29.546 29.700 -0.083 0.000 0.750 471 E HN 0.409 nan 8.360 nan 0.000 0.458 472 K N 0.093 120.295 120.400 -0.331 0.000 2.021 472 K HA -0.038 4.257 4.320 -0.042 0.000 0.205 472 K C 1.429 177.764 176.600 -0.441 0.000 1.047 472 K CA 1.061 57.039 56.287 -0.514 0.000 0.943 472 K CB -0.021 31.911 32.500 -0.947 0.000 0.725 472 K HN 0.022 nan 8.250 nan 0.000 0.439 473 F N -0.449 119.258 119.950 -0.406 0.000 2.754 473 F HA 0.379 4.881 4.527 -0.042 0.000 0.297 473 F C 0.768 176.456 175.800 -0.187 0.000 1.122 473 F CA 0.163 57.854 58.000 -0.516 0.000 1.400 473 F CB 0.060 38.243 39.000 -1.362 0.000 1.117 473 F HN 0.088 nan 8.300 nan 0.000 0.587 474 G N 0.973 109.861 108.800 0.148 0.000 2.906 474 G HA2 -0.161 3.773 3.960 -0.042 0.000 0.686 474 G HA3 -0.161 3.773 3.960 -0.042 0.000 0.686 474 G C 0.699 175.770 174.900 0.286 0.000 1.170 474 G CA -0.324 44.891 45.100 0.191 0.000 0.775 474 G HN 0.327 nan 8.290 nan 0.000 0.630 475 K N 0.522 121.038 120.400 0.193 0.000 2.074 475 K HA -0.190 4.104 4.320 -0.042 0.000 0.209 475 K C 1.934 178.658 176.600 0.207 0.000 1.048 475 K CA 2.200 58.596 56.287 0.181 0.000 0.926 475 K CB -0.179 32.390 32.500 0.115 0.000 0.713 475 K HN 0.578 nan 8.250 nan 0.000 0.444 476 E N 0.941 121.262 120.200 0.201 0.000 2.085 476 E HA -0.239 4.086 4.350 -0.042 0.000 0.194 476 E C 1.916 178.642 176.600 0.210 0.000 0.994 476 E CA 1.433 57.953 56.400 0.201 0.000 0.801 476 E CB -0.809 28.989 29.700 0.163 0.000 0.743 476 E HN 0.664 nan 8.360 nan 0.000 0.453 477 W N 2.417 123.756 121.300 0.064 0.000 2.363 477 W HA -0.035 4.599 4.660 -0.042 0.000 0.296 477 W C 2.483 179.033 176.519 0.052 0.000 1.212 477 W CA 2.269 59.642 57.345 0.046 0.000 1.260 477 W CB -0.218 29.287 29.460 0.074 0.000 1.131 477 W HN 0.115 nan 8.180 nan 0.000 0.530 478 A N -0.528 122.350 122.820 0.095 0.000 1.898 478 A HA -0.277 4.018 4.320 -0.042 0.000 0.216 478 A C 1.767 179.255 177.584 -0.160 0.000 1.181 478 A CA 1.956 53.906 52.037 -0.144 0.000 0.620 478 A CB -1.465 17.596 19.000 0.101 0.000 0.819 478 A HN 0.578 nan 8.150 nan 0.000 0.442 479 H N -0.487 118.514 119.070 -0.116 0.000 2.563 479 H HA 0.340 4.871 4.556 -0.042 0.000 0.272 479 H C 1.276 176.484 175.328 -0.199 0.000 1.005 479 H CA 0.983 56.942 56.048 -0.149 0.000 1.171 479 H CB -0.069 29.639 29.762 -0.091 0.000 1.351 479 H HN 0.341 nan 8.280 nan 0.000 0.602 480 A N -1.753 120.819 122.820 -0.413 0.000 2.508 480 A HA 0.256 4.551 4.320 -0.042 0.000 0.250 480 A C 1.506 178.859 177.584 -0.385 0.000 1.208 480 A CA 0.445 52.222 52.037 -0.432 0.000 0.960 480 A CB 0.397 19.236 19.000 -0.267 0.000 1.099 480 A HN 0.402 nan 8.150 nan 0.000 0.542 481 T N -1.225 113.030 114.554 -0.498 0.000 3.048 481 T HA 0.314 4.638 4.350 -0.042 0.000 0.254 481 T C 1.357 175.803 174.700 -0.423 0.000 0.942 481 T CA 0.544 62.341 62.100 -0.505 0.000 0.931 481 T CB 0.034 68.418 68.868 -0.807 0.000 1.220 481 T HN 0.225 nan 8.240 nan 0.000 0.503 482 I N 0.682 120.979 120.570 -0.454 0.000 3.196 482 I HA 0.105 4.250 4.170 -0.042 0.000 0.248 482 I C 1.894 177.913 176.117 -0.163 0.000 1.105 482 I CA -0.033 61.100 61.300 -0.278 0.000 1.482 482 I CB -0.023 37.804 38.000 -0.287 0.000 1.400 482 I HN 0.028 nan 8.210 nan 0.000 0.464 483 I N 1.651 122.140 120.570 -0.136 0.000 2.161 483 I HA -0.270 3.874 4.170 -0.042 0.000 0.246 483 I C -0.228 175.851 176.117 -0.064 0.000 1.048 483 I CA 2.532 63.796 61.300 -0.060 0.000 1.314 483 I CB -2.695 35.300 38.000 -0.009 0.000 1.014 483 I HN 0.154 nan 8.210 nan 0.000 0.418 484 P HA -0.185 nan 4.420 nan 0.000 0.210 484 P C 1.700 178.961 177.300 -0.066 0.000 1.185 484 P CA 1.747 64.790 63.100 -0.095 0.000 0.924 484 P CB -0.117 31.498 31.700 -0.140 0.000 0.786 485 K N -0.659 119.694 120.400 -0.078 0.000 2.281 485 K HA -0.074 4.221 4.320 -0.042 0.000 0.203 485 K C 1.653 178.231 176.600 -0.036 0.000 1.046 485 K CA 0.888 57.141 56.287 -0.056 0.000 0.938 485 K CB -0.647 31.814 32.500 -0.064 0.000 0.737 485 K HN 0.013 nan 8.250 nan 0.000 0.458 486 V N 1.121 121.014 119.914 -0.035 0.000 3.380 486 V HA -0.110 3.985 4.120 -0.042 0.000 0.268 486 V C 1.611 177.697 176.094 -0.013 0.000 1.168 486 V CA 1.209 63.499 62.300 -0.017 0.000 1.156 486 V CB -0.380 31.437 31.823 -0.010 0.000 0.785 486 V HN 0.281 nan 8.190 nan 0.000 0.487 487 L N -0.360 120.854 121.223 -0.015 0.000 2.500 487 L HA 0.305 4.619 4.340 -0.042 0.000 0.219 487 L C 2.369 179.232 176.870 -0.012 0.000 1.057 487 L CA 0.823 55.658 54.840 -0.008 0.000 0.854 487 L CB -0.512 41.550 42.059 0.005 0.000 1.078 487 L HN 0.220 nan 8.230 nan 0.000 0.480 488 A N -0.229 122.581 122.820 -0.017 0.000 2.277 488 A HA -0.132 4.162 4.320 -0.042 0.000 0.208 488 A C 2.074 179.650 177.584 -0.013 0.000 1.202 488 A CA 1.162 53.189 52.037 -0.017 0.000 0.762 488 A CB -0.449 18.536 19.000 -0.024 0.000 0.770 488 A HN 0.435 nan 8.150 nan 0.000 0.487 489 M N -0.727 118.866 119.600 -0.010 0.000 2.552 489 M HA -0.044 4.410 4.480 -0.042 0.000 0.264 489 M C 2.136 178.432 176.300 -0.006 0.000 1.159 489 M CA 1.249 56.548 55.300 -0.002 0.000 1.176 489 M CB 0.187 32.788 32.600 0.002 0.000 1.327 489 M HN 0.492 nan 8.290 nan 0.000 0.481 490 S N -0.384 115.306 115.700 -0.017 0.000 2.528 490 S HA -0.021 4.424 4.470 -0.042 0.000 0.244 490 S C 1.228 175.819 174.600 -0.016 0.000 0.982 490 S CA 0.793 58.978 58.200 -0.024 0.000 0.953 490 S CB -0.962 62.221 63.200 -0.029 0.000 0.754 490 S HN 0.536 nan 8.310 nan 0.000 0.529 491 G N 0.820 109.613 108.800 -0.012 0.000 4.420 491 G HA2 0.386 4.321 3.960 -0.042 0.000 0.299 491 G HA3 0.386 4.321 3.960 -0.042 0.000 0.299 491 G C -0.982 173.910 174.900 -0.013 0.000 1.343 491 G CA -0.407 44.687 45.100 -0.011 0.000 1.272 491 G HN 0.322 nan 8.290 nan 0.000 0.610 492 D N 0.744 121.138 120.400 -0.010 0.000 2.502 492 D HA 0.331 4.945 4.640 -0.042 0.000 0.249 492 D C -1.092 175.200 176.300 -0.013 0.000 1.092 492 D CA -2.088 51.898 54.000 -0.022 0.000 0.839 492 D CB 3.081 43.870 40.800 -0.017 0.000 1.264 492 D HN 0.009 nan 8.370 nan 0.000 0.511 493 P HA -0.164 nan 4.420 nan 0.000 0.217 493 P C 0.296 177.613 177.300 0.029 0.000 1.148 493 P CA 0.527 63.624 63.100 -0.005 0.000 0.828 493 P CB 0.321 32.010 31.700 -0.018 0.000 0.783 494 N N 0.278 118.986 118.700 0.013 0.000 2.406 494 N HA -0.032 4.683 4.740 -0.042 0.000 0.251 494 N C 1.174 176.803 175.510 0.197 0.000 1.069 494 N CA -0.417 52.697 53.050 0.107 0.000 0.947 494 N CB 0.266 38.752 38.487 -0.002 0.000 1.111 494 N HN 0.022 nan 8.380 nan 0.000 0.497 495 Y N 4.212 124.526 120.300 0.023 0.000 2.298 495 Y HA -0.162 4.363 4.550 -0.042 0.000 0.287 495 Y C 1.464 177.380 175.900 0.027 0.000 1.164 495 Y CA 1.066 59.167 58.100 0.001 0.000 1.229 495 Y CB -0.634 37.817 38.460 -0.017 0.000 0.977 495 Y HN 0.493 nan 8.280 nan 0.000 0.538 496 L N -0.277 120.699 121.223 -0.412 0.000 1.989 496 L HA -0.251 4.064 4.340 -0.042 0.000 0.211 496 L C 2.511 179.306 176.870 -0.126 0.000 1.071 496 L CA 2.098 56.690 54.840 -0.412 0.000 0.749 496 L CB -0.747 41.237 42.059 -0.124 0.000 0.890 496 L HN 0.283 nan 8.230 nan 0.000 0.431 497 H N -1.252 117.745 119.070 -0.121 0.000 2.395 497 H HA -0.073 4.458 4.556 -0.042 0.000 0.299 497 H C 2.280 177.548 175.328 -0.100 0.000 1.070 497 H CA 0.932 56.932 56.048 -0.080 0.000 1.356 497 H CB -0.135 29.598 29.762 -0.049 0.000 1.401 497 H HN 0.117 nan 8.280 nan 0.000 0.524 498 R N 0.165 120.686 120.500 0.035 0.000 2.105 498 R HA -0.105 4.209 4.340 -0.042 0.000 0.239 498 R C 1.897 178.101 176.300 -0.159 0.000 1.135 498 R CA 1.348 57.426 56.100 -0.037 0.000 0.967 498 R CB -0.066 30.230 30.300 -0.005 0.000 0.861 498 R HN 0.286 nan 8.270 nan 0.000 0.442 499 M N -0.937 118.504 119.600 -0.265 0.000 2.200 499 M HA -0.116 4.339 4.480 -0.042 0.000 0.265 499 M C 1.917 177.790 176.300 -0.712 0.000 1.066 499 M CA 1.539 56.496 55.300 -0.571 0.000 1.127 499 M CB -0.026 32.178 32.600 -0.661 0.000 1.379 499 M HN 0.139 nan 8.290 nan 0.000 0.420 500 T N 0.492 114.871 114.554 -0.291 0.000 2.778 500 T HA -0.159 4.165 4.350 -0.042 0.000 0.269 500 T C 1.676 176.340 174.700 -0.060 0.000 1.050 500 T CA 1.880 63.960 62.100 -0.033 0.000 1.137 500 T CB -0.363 68.495 68.868 -0.016 0.000 0.860 500 T HN 0.439 nan 8.240 nan 0.000 0.468 501 T N 2.262 116.741 114.554 -0.125 0.000 2.643 501 T HA 0.005 4.330 4.350 -0.042 0.000 0.264 501 T C 1.965 176.613 174.700 -0.086 0.000 1.045 501 T CA 1.025 63.077 62.100 -0.079 0.000 1.155 501 T CB -0.483 68.339 68.868 -0.076 0.000 0.863 501 T HN 0.298 nan 8.240 nan 0.000 0.420 502 L N -0.164 120.942 121.223 -0.194 0.000 2.079 502 L HA -0.078 4.236 4.340 -0.042 0.000 0.210 502 L C 2.383 179.243 176.870 -0.017 0.000 1.081 502 L CA 1.514 56.261 54.840 -0.155 0.000 0.752 502 L CB -0.785 41.109 42.059 -0.275 0.000 0.896 502 L HN 0.296 nan 8.230 nan 0.000 0.433 503 F N -0.650 119.272 119.950 -0.046 0.000 2.095 503 F HA -0.317 4.184 4.527 -0.042 0.000 0.298 503 F C 2.767 178.548 175.800 -0.031 0.000 1.104 503 F CA 0.938 58.913 58.000 -0.042 0.000 1.232 503 F CB -0.526 38.440 39.000 -0.057 0.000 0.987 503 F HN 0.213 nan 8.300 nan 0.000 0.475 504 C N 0.478 119.877 119.300 0.164 0.000 2.462 504 C HA -0.147 4.288 4.460 -0.042 0.000 0.278 504 C C 2.660 177.693 174.990 0.071 0.000 1.253 504 C CA 0.490 59.562 59.018 0.091 0.000 1.713 504 C CB -1.030 26.746 27.740 0.060 0.000 2.049 504 C HN 0.402 nan 8.230 nan 0.000 0.477 505 I N 1.688 122.290 120.570 0.053 0.000 2.236 505 I HA -0.311 3.834 4.170 -0.042 0.000 0.249 505 I C 2.011 178.158 176.117 0.049 0.000 1.102 505 I CA 1.918 63.242 61.300 0.041 0.000 1.365 505 I CB -0.743 37.270 38.000 0.022 0.000 1.051 505 I HN 0.533 nan 8.210 nan 0.000 0.420 506 N N -0.295 118.447 118.700 0.070 0.000 2.272 506 N HA -0.140 4.574 4.740 -0.042 0.000 0.185 506 N C 1.591 177.133 175.510 0.053 0.000 1.014 506 N CA 0.996 54.088 53.050 0.070 0.000 0.870 506 N CB 0.142 38.697 38.487 0.113 0.000 0.975 506 N HN 0.189 nan 8.380 nan 0.000 0.433 507 V N 0.289 120.236 119.914 0.054 0.000 2.484 507 V HA -0.039 4.056 4.120 -0.042 0.000 0.236 507 V C 2.044 178.164 176.094 0.042 0.000 1.062 507 V CA 0.567 62.892 62.300 0.042 0.000 1.081 507 V CB -0.543 31.304 31.823 0.040 0.000 0.751 507 V HN 0.165 nan 8.190 nan 0.000 0.484 508 L N 1.746 122.998 121.223 0.049 0.000 2.021 508 L HA -0.241 4.073 4.340 -0.042 0.000 0.215 508 L C 2.878 179.776 176.870 0.046 0.000 1.074 508 L CA 2.745 57.616 54.840 0.052 0.000 0.760 508 L CB -2.010 40.080 42.059 0.052 0.000 0.889 508 L HN 0.677 nan 8.230 nan 0.000 0.433 509 S N -0.070 115.654 115.700 0.041 0.000 2.378 509 S HA -0.318 4.127 4.470 -0.042 0.000 0.229 509 S C 1.712 176.331 174.600 0.031 0.000 1.052 509 S CA 1.788 60.009 58.200 0.034 0.000 1.084 509 S CB -0.872 62.345 63.200 0.029 0.000 0.950 509 S HN 0.540 nan 8.310 nan 0.000 0.440 510 E N 0.710 120.927 120.200 0.029 0.000 2.164 510 E HA -0.185 4.140 4.350 -0.042 0.000 0.206 510 E C 1.809 178.424 176.600 0.025 0.000 1.032 510 E CA 1.861 58.275 56.400 0.024 0.000 0.832 510 E CB -0.475 29.238 29.700 0.022 0.000 0.742 510 E HN 0.804 nan 8.360 nan 0.000 0.460 511 V N -3.524 116.409 119.914 0.032 0.000 3.159 511 V HA 0.242 4.336 4.120 -0.042 0.000 0.333 511 V C 0.924 177.046 176.094 0.048 0.000 1.424 511 V CA -0.376 61.945 62.300 0.036 0.000 1.125 511 V CB 0.157 32.001 31.823 0.035 0.000 1.075 511 V HN 0.211 nan 8.190 nan 0.000 0.482 512 C N 1.365 120.693 119.300 0.046 0.000 3.065 512 C HA 0.726 5.161 4.460 -0.042 0.000 0.285 512 C C 1.484 176.496 174.990 0.037 0.000 1.257 512 C CA 0.394 59.444 59.018 0.053 0.000 1.691 512 C CB -0.887 26.887 27.740 0.058 0.000 2.089 512 C HN 1.210 nan 8.230 nan 0.000 0.630 513 G N 0.368 109.184 108.800 0.027 0.000 2.712 513 G HA2 -0.156 3.778 3.960 -0.042 0.000 0.686 513 G HA3 -0.156 3.778 3.960 -0.042 0.000 0.686 513 G C 0.158 175.064 174.900 0.009 0.000 1.181 513 G CA 0.119 45.229 45.100 0.017 0.000 0.762 513 G HN 0.273 nan 8.290 nan 0.000 0.641 514 Q N -0.345 119.458 119.800 0.005 0.000 2.173 514 Q HA -0.187 4.127 4.340 -0.042 0.000 0.208 514 Q C 1.888 177.882 176.000 -0.010 0.000 0.989 514 Q CA 2.350 58.152 55.803 -0.001 0.000 0.872 514 Q CB -0.091 28.646 28.738 -0.002 0.000 0.909 514 Q HN 0.724 nan 8.270 nan 0.000 0.420 515 D N -0.094 120.298 120.400 -0.013 0.000 2.083 515 D HA -0.144 4.471 4.640 -0.042 0.000 0.199 515 D C 2.029 178.307 176.300 -0.038 0.000 0.980 515 D CA 1.487 55.470 54.000 -0.028 0.000 0.851 515 D CB -0.242 40.542 40.800 -0.027 0.000 0.997 515 D HN 0.295 nan 8.370 nan 0.000 0.449 516 I N 1.336 121.883 120.570 -0.039 0.000 2.185 516 I HA -0.301 3.843 4.170 -0.042 0.000 0.246 516 I C 2.493 178.618 176.117 0.012 0.000 1.088 516 I CA 1.130 62.406 61.300 -0.039 0.000 1.347 516 I CB -0.691 37.288 38.000 -0.036 0.000 1.041 516 I HN 0.037 nan 8.210 nan 0.000 0.415 517 T N 0.182 114.742 114.554 0.010 0.000 2.580 517 T HA -0.206 4.119 4.350 -0.042 0.000 0.265 517 T C 1.895 176.595 174.700 0.001 0.000 1.063 517 T CA 2.356 64.465 62.100 0.016 0.000 1.170 517 T CB -0.613 68.262 68.868 0.012 0.000 0.863 517 T HN 0.370 nan 8.240 nan 0.000 0.418 518 T N 1.661 116.204 114.554 -0.018 0.000 2.833 518 T HA -0.022 4.302 4.350 -0.042 0.000 0.269 518 T C 1.879 176.534 174.700 -0.075 0.000 1.054 518 T CA 0.962 63.040 62.100 -0.036 0.000 1.135 518 T CB -0.105 68.743 68.868 -0.034 0.000 0.869 518 T HN 0.369 nan 8.240 nan 0.000 0.466 519 K N -0.362 119.973 120.400 -0.108 0.000 2.361 519 K HA 0.072 4.367 4.320 -0.042 0.000 0.196 519 K C 1.037 177.355 176.600 -0.470 0.000 1.039 519 K CA 0.620 56.753 56.287 -0.256 0.000 1.001 519 K CB 0.293 32.636 32.500 -0.263 0.000 0.795 519 K HN 0.397 nan 8.250 nan 0.000 0.495 520 H N -1.814 117.234 119.070 -0.036 0.000 3.367 520 H HA 0.265 4.795 4.556 -0.042 0.000 0.257 520 H C 0.989 176.320 175.328 0.006 0.000 1.201 520 H CA 0.131 56.178 56.048 -0.003 0.000 1.102 520 H CB 0.846 30.624 29.762 0.027 0.000 1.656 520 H HN 0.060 nan 8.280 nan 0.000 0.662 521 M N -0.948 118.696 119.600 0.073 0.000 2.394 521 M HA 0.010 4.465 4.480 -0.042 0.000 0.203 521 M C 1.823 178.132 176.300 0.016 0.000 1.713 521 M CA 0.138 55.467 55.300 0.048 0.000 1.063 521 M CB 0.282 32.910 32.600 0.046 0.000 1.431 521 M HN 0.025 nan 8.290 nan 0.000 0.572 522 L N 2.472 123.697 121.223 0.004 0.000 2.123 522 L HA -0.143 4.172 4.340 -0.042 0.000 0.217 522 L C -1.050 175.813 176.870 -0.010 0.000 1.081 522 L CA 2.550 57.387 54.840 -0.006 0.000 0.772 522 L CB -1.532 40.520 42.059 -0.012 0.000 0.890 522 L HN 0.040 nan 8.230 nan 0.000 0.437 523 P HA -0.136 nan 4.420 nan 0.000 0.211 523 P C 1.643 178.937 177.300 -0.009 0.000 1.179 523 P CA 2.454 65.544 63.100 -0.017 0.000 0.910 523 P CB -0.264 31.422 31.700 -0.024 0.000 0.785 524 T N -0.820 113.732 114.554 -0.002 0.000 2.822 524 T HA -0.122 4.203 4.350 -0.042 0.000 0.270 524 T C 1.792 176.482 174.700 -0.015 0.000 1.064 524 T CA 1.165 63.262 62.100 -0.005 0.000 1.131 524 T CB -1.131 67.738 68.868 0.001 0.000 0.858 524 T HN -0.103 nan 8.240 nan 0.000 0.483 525 V N 1.304 121.210 119.914 -0.014 0.000 2.358 525 V HA -0.082 4.013 4.120 -0.042 0.000 0.246 525 V C 2.444 178.528 176.094 -0.018 0.000 1.047 525 V CA 1.362 63.649 62.300 -0.021 0.000 1.035 525 V CB -0.631 31.184 31.823 -0.014 0.000 0.658 525 V HN 0.466 nan 8.190 nan 0.000 0.452 526 L N -0.378 120.838 121.223 -0.011 0.000 2.027 526 L HA -0.130 4.185 4.340 -0.042 0.000 0.206 526 L C 2.688 179.553 176.870 -0.008 0.000 1.074 526 L CA 1.721 56.557 54.840 -0.008 0.000 0.745 526 L CB -0.730 41.325 42.059 -0.007 0.000 0.898 526 L HN 0.204 nan 8.230 nan 0.000 0.433 527 R N 0.545 121.039 120.500 -0.010 0.000 2.159 527 R HA -0.142 4.172 4.340 -0.042 0.000 0.237 527 R C 2.051 178.343 176.300 -0.013 0.000 1.131 527 R CA 1.357 57.452 56.100 -0.010 0.000 0.982 527 R CB -0.090 30.205 30.300 -0.009 0.000 0.868 527 R HN 0.344 nan 8.270 nan 0.000 0.453 528 M N -0.497 119.091 119.600 -0.020 0.000 2.618 528 M HA 0.084 4.538 4.480 -0.042 0.000 0.240 528 M C 1.557 177.843 176.300 -0.025 0.000 1.123 528 M CA 0.296 55.578 55.300 -0.029 0.000 1.060 528 M CB 0.601 33.171 32.600 -0.050 0.000 1.535 528 M HN 0.181 nan 8.290 nan 0.000 0.507 529 A N 0.123 122.936 122.820 -0.012 0.000 2.235 529 A HA 0.209 4.504 4.320 -0.042 0.000 0.208 529 A C 1.854 179.443 177.584 0.007 0.000 1.172 529 A CA 0.959 52.997 52.037 0.001 0.000 0.786 529 A CB -0.632 18.374 19.000 0.010 0.000 0.804 529 A HN 0.521 nan 8.150 nan 0.000 0.479 530 G N -1.036 107.765 108.800 0.001 0.000 3.393 530 G HA2 0.130 4.065 3.960 -0.042 0.000 0.255 530 G HA3 0.130 4.065 3.960 -0.042 0.000 0.255 530 G C -0.016 174.886 174.900 0.002 0.000 1.097 530 G CA -0.108 44.995 45.100 0.004 0.000 0.780 530 G HN 0.384 nan 8.290 nan 0.000 0.540 531 D N 1.651 122.049 120.400 -0.003 0.000 2.458 531 D HA 0.051 4.666 4.640 -0.042 0.000 0.243 531 D C -0.847 175.454 176.300 0.003 0.000 1.146 531 D CA -1.219 52.778 54.000 -0.005 0.000 0.877 531 D CB 2.187 42.977 40.800 -0.016 0.000 1.176 531 D HN 0.075 nan 8.370 nan 0.000 0.461 532 P HA -0.086 nan 4.420 nan 0.000 0.228 532 P C 0.356 177.654 177.300 -0.003 0.000 1.151 532 P CA 0.378 63.478 63.100 -0.000 0.000 0.770 532 P CB 0.335 32.032 31.700 -0.006 0.000 0.786 533 V N 0.581 120.491 119.914 -0.007 0.000 2.407 533 V HA 0.368 4.463 4.120 -0.042 0.000 0.278 533 V C 1.854 177.963 176.094 0.023 0.000 1.037 533 V CA -0.017 62.272 62.300 -0.018 0.000 0.900 533 V CB 0.823 32.617 31.823 -0.049 0.000 0.983 533 V HN -0.012 nan 8.190 nan 0.000 0.459 534 A N 4.262 127.125 122.820 0.072 0.000 1.892 534 A HA -0.206 4.089 4.320 -0.042 0.000 0.218 534 A C 1.962 179.646 177.584 0.166 0.000 1.188 534 A CA 2.398 54.544 52.037 0.182 0.000 0.631 534 A CB -0.765 18.389 19.000 0.255 0.000 0.822 534 A HN 0.864 nan 8.150 nan 0.000 0.447 535 N N 0.115 118.880 118.700 0.108 0.000 2.036 535 N HA -0.197 4.517 4.740 -0.042 0.000 0.199 535 N C 1.540 176.617 175.510 -0.722 0.000 1.036 535 N CA 2.116 54.967 53.050 -0.332 0.000 0.870 535 N CB -0.817 37.786 38.487 0.193 0.000 1.055 535 N HN 0.270 nan 8.380 nan 0.000 0.436 536 V N 0.904 120.663 119.914 -0.257 0.000 2.332 536 V HA -0.208 3.887 4.120 -0.042 0.000 0.248 536 V C 2.312 178.263 176.094 -0.239 0.000 1.055 536 V CA 1.588 63.733 62.300 -0.258 0.000 1.038 536 V CB -0.483 31.273 31.823 -0.110 0.000 0.651 536 V HN 0.302 nan 8.190 nan 0.000 0.450 537 R N 0.129 120.559 120.500 -0.117 0.000 2.083 537 R HA -0.189 4.126 4.340 -0.042 0.000 0.237 537 R C 2.375 178.708 176.300 0.056 0.000 1.137 537 R CA 2.243 58.340 56.100 -0.006 0.000 0.951 537 R CB -0.634 29.713 30.300 0.078 0.000 0.851 537 R HN 0.736 nan 8.270 nan 0.000 0.434 538 F N 0.323 120.336 119.950 0.104 0.000 2.325 538 F HA 0.072 4.573 4.527 -0.042 0.000 0.299 538 F C 1.664 177.451 175.800 -0.021 0.000 1.090 538 F CA 0.539 58.631 58.000 0.154 0.000 1.392 538 F CB -0.542 38.701 39.000 0.405 0.000 1.053 538 F HN -0.147 nan 8.300 nan 0.000 0.521 539 N N 0.944 119.393 118.700 -0.418 0.000 2.300 539 N HA -0.091 4.624 4.740 -0.042 0.000 0.179 539 N C 2.064 177.479 175.510 -0.157 0.000 1.016 539 N CA 0.991 53.865 53.050 -0.293 0.000 0.876 539 N CB -0.120 38.098 38.487 -0.447 0.000 0.979 539 N HN 0.327 nan 8.380 nan 0.000 0.432 540 V N 1.057 120.885 119.914 -0.143 0.000 2.759 540 V HA -0.085 4.009 4.120 -0.042 0.000 0.256 540 V C 2.032 178.114 176.094 -0.020 0.000 1.080 540 V CA 1.611 63.862 62.300 -0.081 0.000 1.101 540 V CB -0.396 31.387 31.823 -0.066 0.000 0.698 540 V HN 0.268 nan 8.190 nan 0.000 0.477 541 A N -0.475 122.358 122.820 0.022 0.000 1.878 541 A HA -0.087 4.207 4.320 -0.042 0.000 0.213 541 A C 2.181 179.787 177.584 0.036 0.000 1.192 541 A CA 1.300 53.373 52.037 0.060 0.000 0.619 541 A CB -0.375 18.712 19.000 0.144 0.000 0.837 541 A HN 0.513 nan 8.150 nan 0.000 0.446 542 K N 0.418 120.822 120.400 0.007 0.000 2.103 542 K HA -0.108 4.187 4.320 -0.042 0.000 0.207 542 K C 2.275 178.875 176.600 -0.001 0.000 1.048 542 K CA 1.574 57.843 56.287 -0.029 0.000 0.930 542 K CB -0.210 32.223 32.500 -0.112 0.000 0.716 542 K HN 0.411 nan 8.250 nan 0.000 0.444 543 S N 1.517 117.216 115.700 -0.002 0.000 2.356 543 S HA -0.088 4.356 4.470 -0.042 0.000 0.223 543 S C 1.913 176.520 174.600 0.012 0.000 1.032 543 S CA 1.075 59.281 58.200 0.010 0.000 1.005 543 S CB -0.256 62.939 63.200 -0.008 0.000 0.867 543 S HN 0.201 nan 8.310 nan 0.000 0.449 544 L N 1.359 122.587 121.223 0.009 0.000 2.187 544 L HA -0.148 4.166 4.340 -0.042 0.000 0.213 544 L C 2.726 179.604 176.870 0.014 0.000 1.100 544 L CA 1.187 56.033 54.840 0.011 0.000 0.765 544 L CB -0.462 41.605 42.059 0.013 0.000 0.904 544 L HN 0.399 nan 8.230 nan 0.000 0.437 545 Q N 0.181 119.992 119.800 0.017 0.000 2.378 545 Q HA -0.201 4.114 4.340 -0.042 0.000 0.205 545 Q C 1.983 177.994 176.000 0.017 0.000 0.954 545 Q CA 0.962 56.775 55.803 0.018 0.000 0.901 545 Q CB 0.317 29.067 28.738 0.020 0.000 0.981 545 Q HN 0.201 nan 8.270 nan 0.000 0.483 546 K N 1.119 121.530 120.400 0.018 0.000 2.063 546 K HA -0.024 4.271 4.320 -0.042 0.000 0.204 546 K C 1.765 178.376 176.600 0.019 0.000 1.039 546 K CA 1.132 57.432 56.287 0.021 0.000 0.957 546 K CB -0.338 32.179 32.500 0.027 0.000 0.764 546 K HN 0.353 nan 8.250 nan 0.000 0.447 547 I N -1.357 119.224 120.570 0.018 0.000 3.605 547 I HA 0.195 4.339 4.170 -0.042 0.000 0.301 547 I C 1.378 177.502 176.117 0.012 0.000 1.267 547 I CA 0.425 61.735 61.300 0.016 0.000 1.236 547 I CB -0.671 37.339 38.000 0.015 0.000 1.010 547 I HN 0.105 nan 8.210 nan 0.000 0.491 548 G N 3.019 111.827 108.800 0.012 0.000 2.666 548 G HA2 -0.168 3.766 3.960 -0.042 0.000 0.215 548 G HA3 -0.168 3.766 3.960 -0.042 0.000 0.215 548 G C -0.465 174.440 174.900 0.009 0.000 1.294 548 G CA 1.127 46.233 45.100 0.010 0.000 0.811 548 G HN 0.378 nan 8.290 nan 0.000 0.594 549 P HA -0.082 nan 4.420 nan 0.000 0.218 549 P C 1.793 179.098 177.300 0.008 0.000 1.146 549 P CA 0.812 63.917 63.100 0.009 0.000 0.820 549 P CB -0.082 31.624 31.700 0.010 0.000 0.778 550 I N -1.975 118.600 120.570 0.008 0.000 2.394 550 I HA -0.150 3.994 4.170 -0.042 0.000 0.251 550 I C 1.327 177.447 176.117 0.004 0.000 1.136 550 I CA 0.567 61.871 61.300 0.008 0.000 1.425 550 I CB -0.443 37.564 38.000 0.010 0.000 1.079 550 I HN -0.074 nan 8.210 nan 0.000 0.425 551 L N 0.861 122.086 121.223 0.003 0.000 2.475 551 L HA 0.085 4.400 4.340 -0.042 0.000 0.253 551 L C -0.153 176.717 176.870 -0.001 0.000 1.198 551 L CA -0.595 54.245 54.840 -0.001 0.000 0.814 551 L CB 0.124 42.182 42.059 -0.002 0.000 1.134 551 L HN 0.154 nan 8.230 nan 0.000 0.478 552 D N -1.096 119.302 120.400 -0.003 0.000 2.210 552 D HA 0.062 4.677 4.640 -0.042 0.000 0.249 552 D C 0.555 176.853 176.300 -0.002 0.000 1.078 552 D CA -0.666 53.333 54.000 -0.003 0.000 0.875 552 D CB 0.647 41.445 40.800 -0.005 0.000 1.175 552 D HN 0.461 nan 8.370 nan 0.000 0.440 553 N N 1.725 120.425 118.700 -0.001 0.000 2.242 553 N HA -0.336 4.378 4.740 -0.042 0.000 0.191 553 N C 1.434 176.943 175.510 -0.001 0.000 1.005 553 N CA 1.814 54.864 53.050 0.000 0.000 0.877 553 N CB -0.077 38.410 38.487 0.001 0.000 0.983 553 N HN 0.417 nan 8.380 nan 0.000 0.439 554 S N -1.634 114.065 115.700 -0.003 0.000 2.345 554 S HA -0.103 4.341 4.470 -0.042 0.000 0.220 554 S C 1.761 176.358 174.600 -0.005 0.000 1.031 554 S CA 1.899 60.097 58.200 -0.004 0.000 0.996 554 S CB -0.818 62.378 63.200 -0.006 0.000 0.882 554 S HN 0.522 nan 8.310 nan 0.000 0.445 555 T N 2.761 117.311 114.554 -0.007 0.000 2.821 555 T HA 0.056 4.381 4.350 -0.042 0.000 0.267 555 T C 1.701 176.398 174.700 -0.005 0.000 1.046 555 T CA 1.090 63.185 62.100 -0.008 0.000 1.139 555 T CB -0.352 68.509 68.868 -0.011 0.000 0.871 555 T HN 0.252 nan 8.240 nan 0.000 0.454 556 L N 0.747 121.968 121.223 -0.003 0.000 1.913 556 L HA -0.067 4.248 4.340 -0.042 0.000 0.217 556 L C 1.679 178.549 176.870 0.001 0.000 1.086 556 L CA 1.323 56.163 54.840 0.000 0.000 0.772 556 L CB -0.420 41.640 42.059 0.002 0.000 0.887 556 L HN 0.233 nan 8.230 nan 0.000 0.432 557 Q N -0.233 119.567 119.800 0.001 0.000 3.034 557 Q HA -0.059 4.256 4.340 -0.042 0.000 0.249 557 Q C 0.441 176.441 176.000 0.000 0.000 1.282 557 Q CA 0.544 56.349 55.803 0.002 0.000 0.918 557 Q CB 0.133 28.873 28.738 0.002 0.000 1.772 557 Q HN 0.423 nan 8.270 nan 0.000 0.498 558 S N -0.110 115.590 115.700 -0.000 0.000 2.138 558 S HA -0.041 4.403 4.470 -0.042 0.000 0.214 558 S C 0.799 175.397 174.600 -0.003 0.000 0.829 558 S CA -0.037 58.162 58.200 -0.002 0.000 1.385 558 S CB 0.075 63.273 63.200 -0.004 0.000 0.905 558 S HN 0.440 nan 8.310 nan 0.000 0.374 559 E N -0.037 120.161 120.200 -0.003 0.000 2.571 559 E HA 0.343 4.668 4.350 -0.042 0.000 0.222 559 E C 0.939 177.538 176.600 -0.002 0.000 0.904 559 E CA 0.569 56.967 56.400 -0.004 0.000 1.157 559 E CB 1.083 30.777 29.700 -0.009 0.000 1.158 559 E HN 0.317 nan 8.360 nan 0.000 0.540 560 V N 1.017 120.931 119.914 0.000 0.000 2.502 560 V HA -0.061 4.034 4.120 -0.042 0.000 0.234 560 V C 2.218 178.316 176.094 0.007 0.000 1.072 560 V CA 1.446 63.748 62.300 0.003 0.000 1.094 560 V CB -0.228 31.598 31.823 0.004 0.000 0.761 560 V HN 0.106 nan 8.190 nan 0.000 0.489 561 K N 0.665 121.069 120.400 0.007 0.000 2.077 561 K HA -0.256 4.038 4.320 -0.042 0.000 0.213 561 K C -0.315 176.291 176.600 0.010 0.000 1.051 561 K CA 2.440 58.732 56.287 0.009 0.000 0.929 561 K CB -1.195 31.309 32.500 0.007 0.000 0.715 561 K HN 0.361 nan 8.250 nan 0.000 0.451 562 P HA -0.172 nan 4.420 nan 0.000 0.214 562 P C 1.458 178.764 177.300 0.010 0.000 1.163 562 P CA 1.325 64.430 63.100 0.008 0.000 0.889 562 P CB -0.017 31.686 31.700 0.005 0.000 0.790 563 I N -1.617 118.959 120.570 0.010 0.000 2.761 563 I HA -0.111 4.033 4.170 -0.042 0.000 0.261 563 I C 1.872 178.001 176.117 0.019 0.000 1.198 563 I CA 0.788 62.095 61.300 0.012 0.000 1.482 563 I CB -0.097 37.908 38.000 0.009 0.000 1.100 563 I HN -0.115 nan 8.210 nan 0.000 0.445 564 L N 0.341 121.576 121.223 0.019 0.000 2.240 564 L HA -0.100 4.214 4.340 -0.042 0.000 0.211 564 L C 2.406 179.293 176.870 0.027 0.000 1.106 564 L CA 0.896 55.751 54.840 0.026 0.000 0.793 564 L CB -0.255 41.818 42.059 0.022 0.000 0.927 564 L HN 0.218 nan 8.230 nan 0.000 0.446 565 E N 0.130 120.342 120.200 0.021 0.000 2.028 565 E HA -0.279 4.045 4.350 -0.042 0.000 0.190 565 E C 1.941 178.555 176.600 0.023 0.000 0.984 565 E CA 0.921 57.333 56.400 0.020 0.000 0.800 565 E CB -0.120 29.589 29.700 0.015 0.000 0.758 565 E HN 0.366 nan 8.360 nan 0.000 0.448 566 K N 0.830 121.243 120.400 0.022 0.000 2.286 566 K HA -0.119 4.175 4.320 -0.042 0.000 0.203 566 K C 2.090 178.709 176.600 0.032 0.000 1.045 566 K CA 0.631 56.932 56.287 0.023 0.000 0.935 566 K CB -0.010 32.502 32.500 0.020 0.000 0.737 566 K HN 0.065 nan 8.250 nan 0.000 0.460 567 L N -0.085 121.161 121.223 0.039 0.000 2.249 567 L HA -0.075 4.239 4.340 -0.042 0.000 0.207 567 L C 2.378 179.281 176.870 0.055 0.000 1.090 567 L CA 1.176 56.048 54.840 0.054 0.000 0.802 567 L CB -0.495 41.605 42.059 0.068 0.000 0.947 567 L HN 0.331 nan 8.230 nan 0.000 0.453 568 T N -3.102 111.478 114.554 0.043 0.000 2.897 568 T HA -0.183 4.142 4.350 -0.042 0.000 0.271 568 T C 1.173 175.894 174.700 0.035 0.000 1.084 568 T CA 0.848 62.971 62.100 0.038 0.000 1.123 568 T CB -0.122 68.763 68.868 0.028 0.000 0.865 568 T HN 0.170 nan 8.240 nan 0.000 0.496 569 Q N 1.854 121.673 119.800 0.032 0.000 2.824 569 Q HA 0.406 4.721 4.340 -0.042 0.000 0.371 569 Q C -1.130 174.889 176.000 0.032 0.000 1.071 569 Q CA -0.212 55.608 55.803 0.028 0.000 1.064 569 Q CB 0.700 29.451 28.738 0.021 0.000 1.332 569 Q HN 0.510 nan 8.270 nan 0.000 0.445 570 D N 0.317 120.740 120.400 0.040 0.000 2.299 570 D HA 0.061 4.676 4.640 -0.042 0.000 0.243 570 D C 0.748 177.072 176.300 0.040 0.000 0.982 570 D CA -0.421 53.606 54.000 0.045 0.000 0.924 570 D CB 1.570 42.409 40.800 0.065 0.000 1.238 570 D HN -0.017 nan 8.370 nan 0.000 0.484 571 Q N 1.520 121.342 119.800 0.037 0.000 2.224 571 Q HA -0.113 4.201 4.340 -0.042 0.000 0.203 571 Q C -0.413 175.607 176.000 0.034 0.000 0.970 571 Q CA 0.868 56.689 55.803 0.030 0.000 0.865 571 Q CB 0.114 28.867 28.738 0.026 0.000 0.922 571 Q HN 0.539 nan 8.270 nan 0.000 0.445 572 D N 0.274 120.705 120.400 0.052 0.000 2.312 572 D HA 0.037 4.652 4.640 -0.042 0.000 0.252 572 D C 1.280 177.609 176.300 0.048 0.000 1.150 572 D CA -0.154 53.883 54.000 0.061 0.000 0.870 572 D CB 1.571 42.434 40.800 0.106 0.000 1.153 572 D HN -0.102 nan 8.370 nan 0.000 0.457 573 V N 4.253 124.177 119.914 0.016 0.000 2.324 573 V HA -0.258 3.837 4.120 -0.042 0.000 0.250 573 V C 1.844 177.913 176.094 -0.042 0.000 1.060 573 V CA 1.695 63.983 62.300 -0.020 0.000 1.042 573 V CB -0.287 31.507 31.823 -0.049 0.000 0.650 573 V HN 0.610 nan 8.190 nan 0.000 0.450 574 D N -0.136 120.231 120.400 -0.054 0.000 2.120 574 D HA -0.073 4.542 4.640 -0.042 0.000 0.202 574 D C 2.262 178.560 176.300 -0.003 0.000 0.972 574 D CA 1.249 55.155 54.000 -0.158 0.000 0.837 574 D CB -0.234 40.392 40.800 -0.291 0.000 0.989 574 D HN 0.323 nan 8.370 nan 0.000 0.469 575 V N 1.650 121.682 119.914 0.196 0.000 2.324 575 V HA -0.267 3.827 4.120 -0.042 0.000 0.250 575 V C 2.494 178.699 176.094 0.187 0.000 1.060 575 V CA 1.646 64.139 62.300 0.323 0.000 1.042 575 V CB -0.466 31.521 31.823 0.273 0.000 0.650 575 V HN 0.177 nan 8.190 nan 0.000 0.450 576 K N -1.074 119.389 120.400 0.105 0.000 2.097 576 K HA -0.235 4.060 4.320 -0.042 0.000 0.206 576 K C 2.255 178.890 176.600 0.059 0.000 1.049 576 K CA 1.830 58.159 56.287 0.071 0.000 0.933 576 K CB -0.270 32.259 32.500 0.048 0.000 0.717 576 K HN 0.550 nan 8.250 nan 0.000 0.442 577 Y N 0.392 120.600 120.300 -0.152 0.000 2.163 577 Y HA -0.162 4.363 4.550 -0.042 0.000 0.288 577 Y C 1.522 177.298 175.900 -0.206 0.000 1.136 577 Y CA 1.439 59.377 58.100 -0.269 0.000 1.147 577 Y CB -0.434 37.711 38.460 -0.526 0.000 0.987 577 Y HN -0.021 nan 8.280 nan 0.000 0.509 578 F N -0.087 119.729 119.950 -0.223 0.000 2.502 578 F HA 0.050 4.552 4.527 -0.042 0.000 0.298 578 F C 2.414 178.130 175.800 -0.141 0.000 1.111 578 F CA 0.712 58.548 58.000 -0.273 0.000 1.445 578 F CB -1.084 37.901 39.000 -0.026 0.000 1.081 578 F HN 0.173 nan 8.300 nan 0.000 0.558 579 A N -0.309 122.562 122.820 0.085 0.000 1.843 579 A HA -0.180 4.114 4.320 -0.042 0.000 0.213 579 A C 2.103 179.693 177.584 0.010 0.000 1.202 579 A CA 1.294 53.369 52.037 0.063 0.000 0.607 579 A CB -0.830 18.213 19.000 0.072 0.000 0.847 579 A HN 0.287 nan 8.150 nan 0.000 0.445 580 Q N -0.137 119.655 119.800 -0.014 0.000 2.234 580 Q HA -0.212 4.103 4.340 -0.042 0.000 0.206 580 Q C 1.772 177.744 176.000 -0.045 0.000 0.980 580 Q CA 2.198 57.992 55.803 -0.016 0.000 0.869 580 Q CB -0.221 28.519 28.738 0.003 0.000 0.912 580 Q HN 0.670 nan 8.270 nan 0.000 0.436 581 E N -0.531 119.598 120.200 -0.119 0.000 2.046 581 E HA -0.028 4.297 4.350 -0.042 0.000 0.190 581 E C 1.763 178.338 176.600 -0.041 0.000 0.982 581 E CA 1.411 57.733 56.400 -0.130 0.000 0.800 581 E CB -0.603 28.924 29.700 -0.288 0.000 0.756 581 E HN 0.392 nan 8.360 nan 0.000 0.449 582 A N 0.710 123.523 122.820 -0.011 0.000 1.948 582 A HA -0.181 4.114 4.320 -0.042 0.000 0.220 582 A C 2.269 179.858 177.584 0.008 0.000 1.177 582 A CA 1.623 53.668 52.037 0.012 0.000 0.636 582 A CB -0.781 18.237 19.000 0.030 0.000 0.815 582 A HN 0.333 nan 8.150 nan 0.000 0.449 583 L N -1.270 119.957 121.223 0.005 0.000 1.973 583 L HA -0.147 4.167 4.340 -0.042 0.000 0.208 583 L C 2.772 179.646 176.870 0.006 0.000 1.073 583 L CA 1.799 56.643 54.840 0.007 0.000 0.746 583 L CB -1.412 40.652 42.059 0.008 0.000 0.891 583 L HN 0.310 nan 8.230 nan 0.000 0.433 584 T N -0.097 114.459 114.554 0.003 0.000 2.718 584 T HA -0.214 4.111 4.350 -0.042 0.000 0.266 584 T C 1.850 176.555 174.700 0.008 0.000 1.033 584 T CA 1.753 63.856 62.100 0.006 0.000 1.151 584 T CB -0.340 68.531 68.868 0.005 0.000 0.853 584 T HN 0.104 nan 8.240 nan 0.000 0.466 585 V N 0.602 120.521 119.914 0.008 0.000 2.649 585 V HA 0.116 4.211 4.120 -0.042 0.000 0.248 585 V C 2.029 178.129 176.094 0.011 0.000 1.054 585 V CA 0.939 63.245 62.300 0.011 0.000 1.073 585 V CB -0.428 31.402 31.823 0.013 0.000 0.699 585 V HN 0.445 nan 8.190 nan 0.000 0.463 586 L N 0.398 121.627 121.223 0.010 0.000 2.645 586 L HA 0.133 4.448 4.340 -0.042 0.000 0.235 586 L C 1.093 177.968 176.870 0.009 0.000 1.150 586 L CA 0.076 54.922 54.840 0.010 0.000 0.911 586 L CB -0.531 41.533 42.059 0.010 0.000 1.077 586 L HN 0.374 nan 8.230 nan 0.000 0.438 587 S N 0.291 115.996 115.700 0.009 0.000 3.521 587 S HA -0.181 4.263 4.470 -0.042 0.000 0.362 587 S C 0.841 175.446 174.600 0.008 0.000 1.044 587 S CA 0.455 58.660 58.200 0.008 0.000 1.091 587 S CB -1.441 61.763 63.200 0.008 0.000 0.908 587 S HN 0.422 nan 8.310 nan 0.000 0.473 588 L N -0.483 120.744 121.223 0.008 0.000 2.791 588 L HA 0.591 4.905 4.340 -0.042 0.000 0.239 588 L C 0.783 177.658 176.870 0.008 0.000 1.203 588 L CA 0.472 55.317 54.840 0.008 0.000 1.002 588 L CB -0.286 41.778 42.059 0.008 0.000 1.295 588 L HN 0.612 nan 8.230 nan 0.000 0.504 589 A N 0.000 122.825 122.820 0.008 0.000 2.254 589 A HA 0.000 4.295 4.320 -0.042 0.000 0.244 589 A CA 0.000 52.042 52.037 0.008 0.000 0.836 589 A CB 0.000 19.006 19.000 0.009 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486