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 2fsf_1_A DATA FIRST_RESID 13 DATA SEQUENCE RNDRTLRRMR KVVNIINAME PEMEKLSDEE LKGKTAEFRA RLEKGEVLEN DATA SEQUENCE LIPEAFAVVR EASKRVFGMR HFDVQLLGGM VLNERCIAEM RTGEGKTLTA DATA SEQUENCE TLPAYLNALT GKGVHVVTVN DYLAQRDAEN NRPLFEFLGL TVGINLPGMP DATA SEQUENCE APAKREAYAA DITYGTNNEY GFDYLRDNMA FSPEERVQRK LHYALVDEVD DATA SEQUENCE SILIDEARTP LIISGPXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXIQNENQTL ASITFQNYFR LYEKLAGMTG TADTEAFEFS SIYKLDTVVV DATA SEQUENCE PTNRPMIRKD LPDLVYMTEA EKIQAIIEDI KERTAKGQPV LVGTISIEKS DATA SEQUENCE ELVSNELTKA GIKHNVLNAK FHANEAAIVA QAGYPAAVTI ATNMAGRGTD DATA SEQUENCE IVLGGSWQAE VAALENPTAE QIEKIKADWQ VRHDAVLEAG GLHIIGTERH DATA SEQUENCE ESRRIDNQLR GRSGRQGDAG SSRFYLSMED ALMRIFASDR VSGMMRKLGM DATA SEQUENCE KPGEAIEHPW VTKAIANAQR KVESRNFDIR KQLLEYDDVA NDQRRAIYSQ DATA SEQUENCE RNELLDVSDV SETINSIRED VFKATIDAYI PPQSLEEMWD IPGLQERLKN DATA SEQUENCE DFDLDLPIAE WLDKEPELHE ETLRERILAQ SIEVYQRKEE VVGAEMMRHF DATA SEQUENCE EKGVMLQTLD SLWKEHLAAM DYLRQGIHLR GYAQKDPKQE YKRESFSMFA DATA SEQUENCE AMLESLKYEV ISTLSKVQVR MP 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.306 176.300 0.009 0.000 0.893 13 R CA 0.000 56.107 56.100 0.011 0.000 0.921 13 R CB 0.000 30.310 30.300 0.016 0.000 0.687 14 N N -0.939 117.767 118.700 0.011 0.000 4.095 14 N HA -0.240 4.499 4.740 -0.001 0.000 0.258 14 N C -0.940 174.575 175.510 0.010 0.000 0.898 14 N CA 0.804 53.860 53.050 0.011 0.000 0.984 14 N CB -0.984 37.510 38.487 0.012 0.000 0.928 14 N HN 0.690 nan 8.380 nan 0.000 0.560 15 D N 0.352 120.758 120.400 0.010 0.000 2.411 15 D HA -0.088 4.551 4.640 -0.001 0.000 0.226 15 D C 1.751 178.055 176.300 0.007 0.000 0.988 15 D CA 0.818 54.824 54.000 0.010 0.000 0.938 15 D CB 0.099 40.905 40.800 0.011 0.000 0.883 15 D HN 0.189 nan 8.370 nan 0.000 0.525 16 R N -0.025 120.479 120.500 0.006 0.000 2.073 16 R HA -0.063 4.277 4.340 -0.001 0.000 0.229 16 R C 2.301 178.602 176.300 0.002 0.000 1.120 16 R CA 1.711 57.814 56.100 0.004 0.000 0.967 16 R CB -0.857 29.446 30.300 0.005 0.000 0.862 16 R HN 0.206 nan 8.270 nan 0.000 0.436 17 T N -2.002 112.553 114.554 0.002 0.000 3.054 17 T HA 0.087 4.437 4.350 -0.001 0.000 0.259 17 T C 1.938 176.639 174.700 0.001 0.000 1.092 17 T CA 0.427 62.526 62.100 -0.001 0.000 1.121 17 T CB -0.143 68.723 68.868 -0.002 0.000 0.912 17 T HN 0.114 nan 8.240 nan 0.000 0.489 18 L N 1.288 122.515 121.223 0.006 0.000 2.141 18 L HA 0.043 4.383 4.340 -0.001 0.000 0.209 18 L C 3.125 180.001 176.870 0.010 0.000 1.094 18 L CA 1.348 56.195 54.840 0.011 0.000 0.763 18 L CB -0.368 41.700 42.059 0.014 0.000 0.908 18 L HN 0.398 nan 8.230 nan 0.000 0.437 19 R N 0.002 120.506 120.500 0.007 0.000 2.161 19 R HA -0.109 4.231 4.340 -0.001 0.000 0.213 19 R C 2.230 178.531 176.300 0.001 0.000 1.055 19 R CA 0.634 56.737 56.100 0.006 0.000 0.996 19 R CB -0.392 29.912 30.300 0.006 0.000 0.901 19 R HN 0.222 nan 8.270 nan 0.000 0.456 20 R N 1.115 121.614 120.500 -0.003 0.000 2.075 20 R HA 0.005 4.344 4.340 -0.001 0.000 0.232 20 R C 2.091 178.383 176.300 -0.014 0.000 1.126 20 R CA 1.620 57.714 56.100 -0.010 0.000 0.963 20 R CB -0.164 30.128 30.300 -0.013 0.000 0.858 20 R HN 0.268 nan 8.270 nan 0.000 0.435 21 M N 0.028 119.623 119.600 -0.009 0.000 2.175 21 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 21 M C 2.246 178.548 176.300 0.003 0.000 1.063 21 M CA 1.513 56.808 55.300 -0.008 0.000 1.119 21 M CB -0.189 32.415 32.600 0.006 0.000 1.377 21 M HN 0.121 nan 8.290 nan 0.000 0.415 22 R N 0.498 121.005 120.500 0.011 0.000 2.096 22 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 22 R C 2.099 178.406 176.300 0.011 0.000 1.127 22 R CA 1.087 57.197 56.100 0.018 0.000 0.968 22 R CB -0.418 29.893 30.300 0.018 0.000 0.861 22 R HN 0.457 nan 8.270 nan 0.000 0.440 23 K N 0.420 120.821 120.400 0.002 0.000 2.063 23 K HA -0.104 4.216 4.320 -0.001 0.000 0.208 23 K C 2.119 178.713 176.600 -0.010 0.000 1.048 23 K CA 1.385 57.670 56.287 -0.004 0.000 0.928 23 K CB -0.125 32.370 32.500 -0.009 0.000 0.713 23 K HN 0.027 nan 8.250 nan 0.000 0.442 24 V N 1.015 120.916 119.914 -0.022 0.000 2.427 24 V HA -0.187 3.933 4.120 -0.001 0.000 0.248 24 V C 2.326 178.409 176.094 -0.018 0.000 1.051 24 V CA 1.253 63.528 62.300 -0.042 0.000 1.048 24 V CB -0.291 31.481 31.823 -0.085 0.000 0.666 24 V HN 0.059 nan 8.190 nan 0.000 0.456 25 V N 0.810 120.730 119.914 0.010 0.000 2.332 25 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 25 V C 2.358 178.475 176.094 0.038 0.000 1.055 25 V CA 2.129 64.454 62.300 0.043 0.000 1.038 25 V CB -0.794 31.065 31.823 0.059 0.000 0.651 25 V HN 0.586 nan 8.190 nan 0.000 0.450 26 N N -0.069 118.646 118.700 0.026 0.000 2.244 26 N HA -0.047 4.692 4.740 -0.001 0.000 0.183 26 N C 1.704 177.225 175.510 0.019 0.000 1.016 26 N CA 1.353 54.417 53.050 0.024 0.000 0.866 26 N CB -0.211 38.286 38.487 0.017 0.000 0.980 26 N HN 0.465 nan 8.380 nan 0.000 0.430 27 I N 0.634 121.210 120.570 0.010 0.000 2.252 27 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 27 I C 1.953 178.080 176.117 0.016 0.000 1.102 27 I CA 0.738 62.042 61.300 0.006 0.000 1.385 27 I CB -0.128 37.866 38.000 -0.010 0.000 1.064 27 I HN 0.008 nan 8.210 nan 0.000 0.414 28 I N 0.812 121.395 120.570 0.022 0.000 2.179 28 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 28 I C 2.251 178.395 176.117 0.046 0.000 1.088 28 I CA 1.270 62.594 61.300 0.042 0.000 1.357 28 I CB -0.531 37.511 38.000 0.069 0.000 1.051 28 I HN 0.275 nan 8.210 nan 0.000 0.409 29 N N 1.273 120.001 118.700 0.046 0.000 2.084 29 N HA -0.149 4.590 4.740 -0.001 0.000 0.190 29 N C 1.888 177.421 175.510 0.038 0.000 1.030 29 N CA 1.720 54.798 53.050 0.046 0.000 0.849 29 N CB -0.509 38.006 38.487 0.047 0.000 1.012 29 N HN 0.349 nan 8.380 nan 0.000 0.423 30 A N 0.404 123.243 122.820 0.031 0.000 2.131 30 A HA -0.062 4.258 4.320 -0.001 0.000 0.220 30 A C 2.106 179.707 177.584 0.028 0.000 1.158 30 A CA 1.077 53.130 52.037 0.027 0.000 0.665 30 A CB -0.416 18.596 19.000 0.021 0.000 0.795 30 A HN 0.253 nan 8.150 nan 0.000 0.460 31 M N -1.721 117.898 119.600 0.033 0.000 2.509 31 M HA 0.026 4.505 4.480 -0.001 0.000 0.250 31 M C 1.802 178.125 176.300 0.038 0.000 1.132 31 M CA 0.611 55.933 55.300 0.037 0.000 1.080 31 M CB 0.084 32.711 32.600 0.044 0.000 1.408 31 M HN 0.623 nan 8.290 nan 0.000 0.484 32 E N 1.234 121.456 120.200 0.037 0.000 2.070 32 E HA -0.215 4.135 4.350 -0.001 0.000 0.197 32 E C -0.989 175.629 176.600 0.031 0.000 1.004 32 E CA 1.755 58.175 56.400 0.034 0.000 0.805 32 E CB -0.647 29.073 29.700 0.035 0.000 0.744 32 E HN 0.261 nan 8.360 nan 0.000 0.451 33 P HA -0.228 nan 4.420 nan 0.000 0.213 33 P C 0.964 178.280 177.300 0.026 0.000 1.170 33 P CA 1.667 64.782 63.100 0.025 0.000 0.902 33 P CB -0.106 31.608 31.700 0.023 0.000 0.789 34 E N -0.938 119.279 120.200 0.029 0.000 2.108 34 E HA -0.255 4.094 4.350 -0.001 0.000 0.203 34 E C 1.793 178.413 176.600 0.034 0.000 1.022 34 E CA 1.709 58.128 56.400 0.031 0.000 0.823 34 E CB -0.324 29.397 29.700 0.035 0.000 0.744 34 E HN 0.044 nan 8.360 nan 0.000 0.456 35 M N 0.141 119.764 119.600 0.038 0.000 2.254 35 M HA -0.087 4.393 4.480 -0.001 0.000 0.265 35 M C 1.858 178.180 176.300 0.036 0.000 1.066 35 M CA 1.253 56.578 55.300 0.042 0.000 1.123 35 M CB -0.730 31.895 32.600 0.042 0.000 1.388 35 M HN 0.118 nan 8.290 nan 0.000 0.425 36 E N 0.166 120.384 120.200 0.030 0.000 2.153 36 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 36 E C 1.892 178.508 176.600 0.027 0.000 0.988 36 E CA 0.802 57.218 56.400 0.026 0.000 0.811 36 E CB 0.015 29.728 29.700 0.022 0.000 0.746 36 E HN 0.483 nan 8.360 nan 0.000 0.466 37 K N 0.150 120.566 120.400 0.026 0.000 2.296 37 K HA -0.025 4.295 4.320 -0.001 0.000 0.200 37 K C 0.278 176.892 176.600 0.023 0.000 1.048 37 K CA 0.193 56.493 56.287 0.023 0.000 0.966 37 K CB 0.106 32.618 32.500 0.019 0.000 0.754 37 K HN 0.012 nan 8.250 nan 0.000 0.466 38 L N 2.013 123.253 121.223 0.029 0.000 2.426 38 L HA -0.010 4.330 4.340 -0.001 0.000 0.271 38 L C 0.863 177.753 176.870 0.033 0.000 1.169 38 L CA 0.269 55.125 54.840 0.026 0.000 0.836 38 L CB 0.816 42.894 42.059 0.032 0.000 1.112 38 L HN 0.086 nan 8.230 nan 0.000 0.465 39 S N 0.894 116.603 115.700 0.016 0.000 2.584 39 S HA 0.087 4.556 4.470 -0.001 0.000 0.270 39 S C 0.824 175.431 174.600 0.012 0.000 1.346 39 S CA -0.583 57.625 58.200 0.013 0.000 1.018 39 S CB 0.548 63.740 63.200 -0.013 0.000 0.899 39 S HN 0.603 nan 8.310 nan 0.000 0.542 40 D N 1.202 121.615 120.400 0.021 0.000 2.192 40 D HA -0.164 4.475 4.640 -0.001 0.000 0.189 40 D C 1.747 177.873 176.300 -0.291 0.000 1.007 40 D CA 1.829 55.775 54.000 -0.092 0.000 0.859 40 D CB -0.272 40.472 40.800 -0.093 0.000 0.936 40 D HN 0.714 nan 8.370 nan 0.000 0.447 41 E N 0.589 120.673 120.200 -0.193 0.000 2.150 41 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 41 E C 1.883 178.406 176.600 -0.128 0.000 0.985 41 E CA 0.744 57.038 56.400 -0.177 0.000 0.814 41 E CB -0.105 29.528 29.700 -0.112 0.000 0.752 41 E HN 0.466 nan 8.360 nan 0.000 0.466 42 E N -0.173 119.977 120.200 -0.083 0.000 2.150 42 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 42 E C 2.253 178.820 176.600 -0.055 0.000 0.985 42 E CA 0.518 56.883 56.400 -0.058 0.000 0.814 42 E CB -0.030 29.652 29.700 -0.031 0.000 0.752 42 E HN 0.237 nan 8.360 nan 0.000 0.466 43 L N 1.014 122.215 121.223 -0.037 0.000 2.005 43 L HA -0.197 4.143 4.340 -0.001 0.000 0.207 43 L C 2.635 179.494 176.870 -0.018 0.000 1.072 43 L CA 1.251 56.106 54.840 0.026 0.000 0.744 43 L CB -0.340 41.834 42.059 0.192 0.000 0.895 43 L HN 0.038 nan 8.230 nan 0.000 0.433 44 K N 0.197 120.520 120.400 -0.129 0.000 2.059 44 K HA -0.218 4.102 4.320 -0.001 0.000 0.212 44 K C 1.910 178.477 176.600 -0.056 0.000 1.050 44 K CA 1.793 58.017 56.287 -0.105 0.000 0.927 44 K CB -0.474 31.908 32.500 -0.196 0.000 0.714 44 K HN 0.370 nan 8.250 nan 0.000 0.447 45 G N 0.760 109.508 108.800 -0.086 0.000 2.498 45 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.219 45 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.219 45 G C 1.172 175.979 174.900 -0.156 0.000 1.119 45 G CA 0.332 45.376 45.100 -0.094 0.000 0.766 45 G HN 0.197 nan 8.290 nan 0.000 0.552 46 K N 0.559 120.834 120.400 -0.207 0.000 2.152 46 K HA -0.091 4.229 4.320 -0.001 0.000 0.206 46 K C 2.577 178.769 176.600 -0.681 0.000 1.048 46 K CA 1.481 57.460 56.287 -0.514 0.000 0.933 46 K CB -0.817 31.425 32.500 -0.430 0.000 0.721 46 K HN 0.295 nan 8.250 nan 0.000 0.447 47 T N 1.260 115.712 114.554 -0.170 0.000 2.746 47 T HA -0.123 4.227 4.350 -0.001 0.000 0.267 47 T C 2.013 176.701 174.700 -0.020 0.000 1.039 47 T CA 1.509 63.636 62.100 0.046 0.000 1.142 47 T CB -0.197 68.779 68.868 0.180 0.000 0.866 47 T HN 0.336 nan 8.240 nan 0.000 0.444 48 A N 1.324 124.108 122.820 -0.060 0.000 1.898 48 A HA -0.104 4.216 4.320 -0.001 0.000 0.216 48 A C 2.233 179.784 177.584 -0.056 0.000 1.181 48 A CA 1.794 53.807 52.037 -0.041 0.000 0.620 48 A CB -0.629 18.348 19.000 -0.039 0.000 0.819 48 A HN 0.606 nan 8.150 nan 0.000 0.442 49 E N -0.873 119.243 120.200 -0.139 0.000 2.058 49 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 49 E C 1.700 178.292 176.600 -0.015 0.000 0.997 49 E CA 1.621 57.944 56.400 -0.128 0.000 0.801 49 E CB -0.277 29.283 29.700 -0.234 0.000 0.746 49 E HN 0.528 nan 8.360 nan 0.000 0.450 50 F N 1.005 120.982 119.950 0.045 0.000 2.095 50 F HA -0.147 4.380 4.527 -0.001 0.000 0.298 50 F C 2.565 178.370 175.800 0.008 0.000 1.104 50 F CA 1.267 59.288 58.000 0.035 0.000 1.232 50 F CB -0.924 38.111 39.000 0.057 0.000 0.987 50 F HN 0.002 nan 8.300 nan 0.000 0.475 51 R N 0.061 120.663 120.500 0.171 0.000 2.081 51 R HA -0.122 4.218 4.340 -0.001 0.000 0.235 51 R C 2.434 178.764 176.300 0.049 0.000 1.131 51 R CA 1.247 57.394 56.100 0.077 0.000 0.960 51 R CB -0.852 29.473 30.300 0.043 0.000 0.856 51 R HN 0.296 nan 8.270 nan 0.000 0.436 52 A N 1.369 124.214 122.820 0.041 0.000 1.908 52 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 52 A C 2.119 179.726 177.584 0.038 0.000 1.181 52 A CA 1.446 53.500 52.037 0.028 0.000 0.627 52 A CB -0.373 18.636 19.000 0.015 0.000 0.818 52 A HN 0.250 nan 8.150 nan 0.000 0.445 53 R N -0.524 120.014 120.500 0.064 0.000 2.075 53 R HA 0.005 4.345 4.340 -0.001 0.000 0.232 53 R C 2.074 178.400 176.300 0.043 0.000 1.126 53 R CA 1.358 57.495 56.100 0.062 0.000 0.963 53 R CB -0.533 29.826 30.300 0.098 0.000 0.858 53 R HN 0.502 nan 8.270 nan 0.000 0.435 54 L N 0.692 121.943 121.223 0.048 0.000 1.989 54 L HA -0.208 4.132 4.340 -0.001 0.000 0.211 54 L C 2.739 179.615 176.870 0.010 0.000 1.071 54 L CA 1.214 56.067 54.840 0.021 0.000 0.749 54 L CB -0.579 41.490 42.059 0.017 0.000 0.890 54 L HN 0.230 nan 8.230 nan 0.000 0.431 55 E N 1.252 121.459 120.200 0.012 0.000 2.108 55 E HA -0.276 4.074 4.350 -0.001 0.000 0.203 55 E C 1.873 178.475 176.600 0.005 0.000 1.022 55 E CA 1.716 58.119 56.400 0.005 0.000 0.823 55 E CB -0.053 29.651 29.700 0.007 0.000 0.744 55 E HN 0.441 nan 8.360 nan 0.000 0.456 56 K N -1.177 119.229 120.400 0.010 0.000 2.525 56 K HA 0.034 4.353 4.320 -0.001 0.000 0.192 56 K C 1.081 177.684 176.600 0.004 0.000 1.029 56 K CA 0.628 56.919 56.287 0.008 0.000 1.029 56 K CB 0.238 32.745 32.500 0.011 0.000 0.814 56 K HN 0.335 nan 8.250 nan 0.000 0.503 57 G N 2.155 110.957 108.800 0.003 0.000 2.154 57 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.186 57 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.186 57 G C -0.182 174.716 174.900 -0.004 0.000 1.000 57 G CA -0.186 44.913 45.100 -0.002 0.000 0.664 57 G HN 0.329 nan 8.290 nan 0.000 0.513 58 E N 0.574 120.774 120.200 0.001 0.000 2.415 58 E HA 0.429 4.778 4.350 -0.001 0.000 0.262 58 E C 0.725 177.316 176.600 -0.016 0.000 1.038 58 E CA -0.112 56.286 56.400 -0.003 0.000 0.921 58 E CB 0.893 30.598 29.700 0.009 0.000 0.950 58 E HN 0.365 nan 8.360 nan 0.000 0.438 59 V N 6.516 126.415 119.914 -0.026 0.000 2.530 59 V HA 0.007 4.127 4.120 -0.001 0.000 0.282 59 V C 1.400 177.460 176.094 -0.056 0.000 1.048 59 V CA -0.205 62.073 62.300 -0.038 0.000 0.997 59 V CB 1.160 32.960 31.823 -0.038 0.000 0.987 59 V HN 0.803 nan 8.190 nan 0.000 0.477 60 L N 4.734 125.919 121.223 -0.062 0.000 2.013 60 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 60 L C 2.202 179.001 176.870 -0.119 0.000 1.073 60 L CA 1.988 56.776 54.840 -0.087 0.000 0.753 60 L CB -0.436 41.575 42.059 -0.081 0.000 0.890 60 L HN 0.765 nan 8.230 nan 0.000 0.432 61 E N -0.209 119.925 120.200 -0.110 0.000 2.209 61 E HA -0.184 4.165 4.350 -0.001 0.000 0.196 61 E C 1.910 178.423 176.600 -0.146 0.000 0.993 61 E CA 0.984 57.303 56.400 -0.136 0.000 0.819 61 E CB -0.416 29.217 29.700 -0.111 0.000 0.745 61 E HN 0.493 nan 8.360 nan 0.000 0.477 62 N N -0.164 118.468 118.700 -0.113 0.000 2.381 62 N HA -0.067 4.672 4.740 -0.001 0.000 0.182 62 N C 1.205 176.636 175.510 -0.132 0.000 1.025 62 N CA 0.640 53.629 53.050 -0.102 0.000 0.888 62 N CB 0.066 38.515 38.487 -0.063 0.000 0.965 62 N HN 0.258 nan 8.380 nan 0.000 0.438 63 L N -0.030 121.085 121.223 -0.179 0.000 2.509 63 L HA 0.142 4.481 4.340 -0.001 0.000 0.222 63 L C 1.850 178.526 176.870 -0.323 0.000 1.123 63 L CA 0.043 54.718 54.840 -0.275 0.000 0.856 63 L CB -0.104 41.730 42.059 -0.375 0.000 0.985 63 L HN 0.058 nan 8.230 nan 0.000 0.456 64 I N 0.940 121.314 120.570 -0.327 0.000 2.118 64 I HA -0.252 3.918 4.170 -0.001 0.000 0.241 64 I C -0.205 175.637 176.117 -0.459 0.000 1.070 64 I CA 1.871 62.845 61.300 -0.544 0.000 1.327 64 I CB -1.325 36.274 38.000 -0.668 0.000 1.034 64 I HN 0.226 nan 8.210 nan 0.000 0.405 65 P HA -0.180 nan 4.420 nan 0.000 0.214 65 P C 1.351 178.628 177.300 -0.038 0.000 1.163 65 P CA 1.596 64.613 63.100 -0.138 0.000 0.883 65 P CB -0.052 31.595 31.700 -0.089 0.000 0.788 66 E N -0.589 119.590 120.200 -0.036 0.000 2.072 66 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 66 E C 2.134 178.801 176.600 0.111 0.000 0.985 66 E CA 1.162 57.607 56.400 0.074 0.000 0.801 66 E CB -0.566 29.227 29.700 0.154 0.000 0.750 66 E HN 0.117 nan 8.360 nan 0.000 0.452 67 A N 0.888 123.645 122.820 -0.104 0.000 1.902 67 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 67 A C 1.851 179.573 177.584 0.230 0.000 1.181 67 A CA 1.141 53.195 52.037 0.028 0.000 0.623 67 A CB -0.563 18.382 19.000 -0.092 0.000 0.818 67 A HN 0.147 nan 8.150 nan 0.000 0.443 68 F N 0.049 119.952 119.950 -0.079 0.000 2.206 68 F HA 0.021 4.548 4.527 -0.001 0.000 0.298 68 F C 2.798 178.515 175.800 -0.138 0.000 1.090 68 F CA 0.168 58.094 58.000 -0.123 0.000 1.323 68 F CB -1.069 37.870 39.000 -0.102 0.000 1.028 68 F HN 0.271 nan 8.300 nan 0.000 0.492 69 A N -0.126 122.766 122.820 0.121 0.000 1.902 69 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 69 A C 2.456 180.054 177.584 0.022 0.000 1.181 69 A CA 1.922 53.993 52.037 0.056 0.000 0.623 69 A CB -1.196 17.849 19.000 0.075 0.000 0.818 69 A HN 0.162 nan 8.150 nan 0.000 0.443 70 V N -0.422 119.526 119.914 0.055 0.000 2.261 70 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 70 V C 2.589 178.613 176.094 -0.117 0.000 1.047 70 V CA 2.081 64.396 62.300 0.025 0.000 1.015 70 V CB -0.840 31.069 31.823 0.143 0.000 0.642 70 V HN 0.379 nan 8.190 nan 0.000 0.446 71 V N 0.329 120.098 119.914 -0.241 0.000 2.295 71 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 71 V C 2.577 178.512 176.094 -0.265 0.000 1.049 71 V CA 2.497 64.588 62.300 -0.348 0.000 1.024 71 V CB -0.859 30.702 31.823 -0.436 0.000 0.648 71 V HN 0.578 nan 8.190 nan 0.000 0.447 72 R N 0.562 120.896 120.500 -0.277 0.000 2.091 72 R HA -0.244 4.096 4.340 -0.001 0.000 0.238 72 R C 2.220 178.487 176.300 -0.056 0.000 1.136 72 R CA 2.212 58.239 56.100 -0.122 0.000 0.959 72 R CB -0.363 29.870 30.300 -0.111 0.000 0.856 72 R HN 0.506 nan 8.270 nan 0.000 0.437 73 E N 0.308 120.463 120.200 -0.076 0.000 2.072 73 E HA -0.083 4.267 4.350 -0.001 0.000 0.191 73 E C 1.781 178.273 176.600 -0.181 0.000 0.985 73 E CA 1.680 58.034 56.400 -0.077 0.000 0.801 73 E CB -0.322 29.365 29.700 -0.022 0.000 0.750 73 E HN 0.462 nan 8.360 nan 0.000 0.452 74 A N -0.084 122.588 122.820 -0.246 0.000 1.908 74 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 74 A C 2.443 179.636 177.584 -0.651 0.000 1.181 74 A CA 2.091 53.795 52.037 -0.555 0.000 0.627 74 A CB -1.021 17.744 19.000 -0.392 0.000 0.818 74 A HN 0.328 nan 8.150 nan 0.000 0.445 75 S N -0.848 114.599 115.700 -0.422 0.000 2.387 75 S HA -0.136 4.334 4.470 -0.001 0.000 0.226 75 S C 2.086 176.534 174.600 -0.253 0.000 1.026 75 S CA 1.426 59.387 58.200 -0.398 0.000 0.972 75 S CB -0.310 62.845 63.200 -0.075 0.000 0.814 75 S HN 0.532 nan 8.310 nan 0.000 0.477 76 K N 0.599 120.894 120.400 -0.174 0.000 2.044 76 K HA -0.122 4.198 4.320 -0.001 0.000 0.210 76 K C 2.461 178.966 176.600 -0.159 0.000 1.049 76 K CA 1.479 57.692 56.287 -0.123 0.000 0.927 76 K CB -0.244 32.206 32.500 -0.083 0.000 0.713 76 K HN 0.377 nan 8.250 nan 0.000 0.443 77 R N 0.039 120.381 120.500 -0.264 0.000 2.062 77 R HA -0.039 4.301 4.340 -0.001 0.000 0.226 77 R C 2.424 178.542 176.300 -0.304 0.000 1.125 77 R CA 0.883 56.823 56.100 -0.266 0.000 0.966 77 R CB -0.192 29.899 30.300 -0.348 0.000 0.861 77 R HN -0.019 nan 8.270 nan 0.000 0.433 78 V N 0.160 119.763 119.914 -0.519 0.000 2.302 78 V HA -0.155 3.964 4.120 -0.001 0.000 0.243 78 V C 1.705 177.678 176.094 -0.201 0.000 1.036 78 V CA 1.601 63.616 62.300 -0.475 0.000 1.020 78 V CB -0.309 31.021 31.823 -0.822 0.000 0.657 78 V HN 0.157 nan 8.190 nan 0.000 0.453 79 F N 0.457 120.286 119.950 -0.201 0.000 2.698 79 F HA 0.427 4.953 4.527 -0.000 0.000 0.295 79 F C 1.968 177.686 175.800 -0.136 0.000 1.124 79 F CA 0.207 58.109 58.000 -0.163 0.000 1.426 79 F CB -0.870 38.016 39.000 -0.190 0.000 1.120 79 F HN 0.309 nan 8.300 nan 0.000 0.583 80 G N 1.022 109.851 108.800 0.048 0.000 2.160 80 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.251 80 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.251 80 G C 0.076 174.970 174.900 -0.009 0.000 1.008 80 G CA 0.206 45.309 45.100 0.005 0.000 0.724 80 G HN 0.287 nan 8.290 nan 0.000 0.514 81 M N -0.599 118.995 119.600 -0.009 0.000 2.267 81 M HA 0.423 4.903 4.480 -0.001 0.000 0.289 81 M C -0.003 176.220 176.300 -0.128 0.000 1.043 81 M CA -0.645 54.604 55.300 -0.085 0.000 0.928 81 M CB 2.386 34.919 32.600 -0.112 0.000 1.613 81 M HN 0.118 nan 8.290 nan 0.000 0.450 82 R N 2.003 122.406 120.500 -0.161 0.000 2.246 82 R HA 0.380 4.719 4.340 -0.001 0.000 0.332 82 R C -0.939 175.218 176.300 -0.239 0.000 0.974 82 R CA -0.721 55.316 56.100 -0.104 0.000 0.837 82 R CB 0.612 30.892 30.300 -0.033 0.000 1.145 82 R HN 0.655 nan 8.270 nan 0.000 0.467 83 H N 3.408 122.335 119.070 -0.239 0.000 3.140 83 H HA -0.103 4.452 4.556 -0.001 0.000 0.316 83 H C -0.120 175.090 175.328 -0.196 0.000 0.986 83 H CA 0.861 56.746 56.048 -0.270 0.000 1.397 83 H CB -0.063 29.608 29.762 -0.152 0.000 1.377 83 H HN 0.265 nan 8.280 nan 0.000 0.585 84 F N 1.498 121.507 119.950 0.100 0.000 2.440 84 F HA 0.010 4.536 4.527 -0.001 0.000 0.323 84 F C 1.719 177.571 175.800 0.088 0.000 1.192 84 F CA -0.595 57.449 58.000 0.074 0.000 1.252 84 F CB 0.357 39.385 39.000 0.047 0.000 1.214 84 F HN 0.521 nan 8.300 nan 0.000 0.578 85 D N 0.526 121.101 120.400 0.290 0.000 2.149 85 D HA -0.161 4.479 4.640 -0.001 0.000 0.194 85 D C 2.249 178.653 176.300 0.175 0.000 1.001 85 D CA 1.889 56.000 54.000 0.186 0.000 0.849 85 D CB -0.482 40.396 40.800 0.129 0.000 0.939 85 D HN 0.345 nan 8.370 nan 0.000 0.449 86 V N -1.630 118.398 119.914 0.190 0.000 2.719 86 V HA -0.138 3.981 4.120 -0.001 0.000 0.252 86 V C 2.007 178.193 176.094 0.153 0.000 1.065 86 V CA 1.019 63.406 62.300 0.145 0.000 1.086 86 V CB -0.754 31.139 31.823 0.118 0.000 0.700 86 V HN 0.067 nan 8.190 nan 0.000 0.467 87 Q N 0.597 120.514 119.800 0.194 0.000 2.084 87 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 87 Q C 2.319 178.398 176.000 0.132 0.000 0.978 87 Q CA 2.219 58.114 55.803 0.153 0.000 0.844 87 Q CB -0.405 28.412 28.738 0.131 0.000 0.898 87 Q HN 0.634 nan 8.270 nan 0.000 0.426 88 L N 0.367 121.679 121.223 0.149 0.000 2.042 88 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 88 L C 2.343 179.361 176.870 0.248 0.000 1.076 88 L CA 1.059 56.015 54.840 0.193 0.000 0.749 88 L CB -0.583 41.608 42.059 0.220 0.000 0.893 88 L HN 0.270 nan 8.230 nan 0.000 0.432 89 L N -0.412 120.911 121.223 0.168 0.000 2.083 89 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 89 L C 2.678 179.624 176.870 0.126 0.000 1.083 89 L CA 1.386 56.304 54.840 0.131 0.000 0.752 89 L CB -1.155 40.958 42.059 0.090 0.000 0.899 89 L HN 0.345 nan 8.230 nan 0.000 0.433 90 G N -0.370 108.498 108.800 0.115 0.000 2.402 90 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.216 90 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.216 90 G C 1.598 176.562 174.900 0.107 0.000 1.162 90 G CA 0.645 45.797 45.100 0.086 0.000 0.777 90 G HN 0.466 nan 8.290 nan 0.000 0.539 91 G N 0.887 109.767 108.800 0.134 0.000 2.440 91 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.218 91 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.218 91 G C 1.883 176.999 174.900 0.361 0.000 1.154 91 G CA 1.012 46.206 45.100 0.157 0.000 0.767 91 G HN 0.422 nan 8.290 nan 0.000 0.552 92 M N -0.053 119.776 119.600 0.382 0.000 2.175 92 M HA -0.029 4.450 4.480 -0.001 0.000 0.264 92 M C 2.652 179.009 176.300 0.095 0.000 1.063 92 M CA 0.750 56.165 55.300 0.191 0.000 1.119 92 M CB -0.214 32.431 32.600 0.074 0.000 1.377 92 M HN 0.105 nan 8.290 nan 0.000 0.415 93 V N 0.756 120.720 119.914 0.084 0.000 2.343 93 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 93 V C 2.181 178.296 176.094 0.036 0.000 1.051 93 V CA 1.544 63.867 62.300 0.038 0.000 1.036 93 V CB -0.557 31.280 31.823 0.023 0.000 0.654 93 V HN 0.472 nan 8.190 nan 0.000 0.451 94 L N 0.372 121.635 121.223 0.067 0.000 2.376 94 L HA -0.096 4.243 4.340 -0.001 0.000 0.219 94 L C 2.231 179.170 176.870 0.116 0.000 1.133 94 L CA 1.107 55.995 54.840 0.080 0.000 0.816 94 L CB -0.615 41.503 42.059 0.098 0.000 0.933 94 L HN 0.407 nan 8.230 nan 0.000 0.449 95 N N -0.370 118.373 118.700 0.073 0.000 2.396 95 N HA -0.097 4.643 4.740 -0.001 0.000 0.180 95 N C 0.704 176.183 175.510 -0.052 0.000 1.028 95 N CA 0.652 53.686 53.050 -0.026 0.000 0.893 95 N CB 0.311 38.791 38.487 -0.013 0.000 0.967 95 N HN 0.201 nan 8.380 nan 0.000 0.440 96 E N 0.035 120.227 120.200 -0.013 0.000 2.322 96 E HA 0.068 4.418 4.350 -0.001 0.000 0.257 96 E C -0.258 176.339 176.600 -0.005 0.000 1.155 96 E CA -0.523 55.865 56.400 -0.019 0.000 0.936 96 E CB 0.528 30.219 29.700 -0.016 0.000 1.130 96 E HN 0.119 nan 8.360 nan 0.000 0.465 97 R N 0.749 121.244 120.500 -0.008 0.000 3.268 97 R HA 0.191 4.530 4.340 -0.001 0.000 0.217 97 R C -1.155 175.129 176.300 -0.027 0.000 1.568 97 R CA 0.076 56.172 56.100 -0.007 0.000 1.322 97 R CB -0.738 29.567 30.300 0.009 0.000 1.280 97 R HN 0.304 nan 8.270 nan 0.000 0.667 98 C N 3.320 122.587 119.300 -0.054 0.000 2.994 98 C HA 0.499 4.959 4.460 -0.001 0.000 0.305 98 C C -0.628 174.263 174.990 -0.165 0.000 1.251 98 C CA -1.095 57.870 59.018 -0.089 0.000 1.478 98 C CB 1.787 29.491 27.740 -0.059 0.000 1.922 98 C HN 0.528 nan 8.230 nan 0.000 0.472 99 I N 2.623 123.044 120.570 -0.247 0.000 2.342 99 I HA 0.421 4.591 4.170 -0.001 0.000 0.291 99 I C 0.604 176.598 176.117 -0.205 0.000 1.010 99 I CA 0.032 61.127 61.300 -0.342 0.000 1.308 99 I CB 0.663 38.263 38.000 -0.666 0.000 1.400 99 I HN 0.803 nan 8.210 nan 0.000 0.488 100 A N 6.816 129.543 122.820 -0.155 0.000 2.280 100 A HA 0.357 4.677 4.320 -0.001 0.000 0.320 100 A C 0.241 177.773 177.584 -0.087 0.000 1.366 100 A CA -0.612 51.374 52.037 -0.085 0.000 0.938 100 A CB 0.065 19.039 19.000 -0.043 0.000 1.157 100 A HN 0.700 nan 8.150 nan 0.000 0.536 101 E N 2.757 122.915 120.200 -0.069 0.000 2.166 101 E HA 0.284 4.634 4.350 -0.001 0.000 0.279 101 E C -0.763 175.830 176.600 -0.012 0.000 1.095 101 E CA 0.411 56.787 56.400 -0.041 0.000 0.888 101 E CB 0.619 30.306 29.700 -0.021 0.000 1.041 101 E HN 0.653 nan 8.360 nan 0.000 0.414 102 M N 3.300 122.897 119.600 -0.006 0.000 2.142 102 M HA 0.316 4.796 4.480 -0.001 0.000 0.299 102 M C 0.031 176.342 176.300 0.018 0.000 0.960 102 M CA -0.686 54.622 55.300 0.013 0.000 0.920 102 M CB 2.102 34.713 32.600 0.018 0.000 1.541 102 M HN 0.158 nan 8.290 nan 0.000 0.429 103 R N 1.242 121.757 120.500 0.026 0.000 2.678 103 R HA 0.055 4.394 4.340 -0.001 0.000 0.264 103 R C -0.148 176.170 176.300 0.031 0.000 0.995 103 R CA 0.708 56.825 56.100 0.029 0.000 1.098 103 R CB 0.364 30.684 30.300 0.033 0.000 0.949 103 R HN 0.621 nan 8.270 nan 0.000 0.422 104 T N 1.185 115.757 114.554 0.030 0.000 2.937 104 T HA 0.129 4.478 4.350 -0.001 0.000 0.316 104 T C 1.328 176.051 174.700 0.037 0.000 1.079 104 T CA 0.834 62.952 62.100 0.030 0.000 1.131 104 T CB 0.702 69.588 68.868 0.029 0.000 1.000 104 T HN 0.806 nan 8.240 nan 0.000 0.549 105 G N 1.968 110.790 108.800 0.037 0.000 2.205 105 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.261 105 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.261 105 G C 0.775 175.714 174.900 0.066 0.000 0.980 105 G CA 0.143 45.273 45.100 0.049 0.000 0.632 105 G HN 0.683 nan 8.290 nan 0.000 0.533 106 E N 0.560 120.798 120.200 0.063 0.000 2.502 106 E HA 0.278 4.627 4.350 -0.001 0.000 0.194 106 E C 1.756 178.410 176.600 0.090 0.000 1.062 106 E CA 0.940 57.395 56.400 0.092 0.000 0.867 106 E CB -0.402 29.344 29.700 0.076 0.000 0.888 106 E HN 1.646 nan 8.360 nan 0.000 0.510 107 G N 2.475 111.302 108.800 0.044 0.000 2.291 107 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.271 107 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.271 107 G C 0.809 175.700 174.900 -0.016 0.000 1.099 107 G CA 0.581 45.678 45.100 -0.005 0.000 0.919 107 G HN 0.257 nan 8.290 nan 0.000 0.496 108 K N -0.881 119.519 120.400 0.001 0.000 2.127 108 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 108 K C 2.599 179.200 176.600 0.002 0.000 1.047 108 K CA 2.025 58.315 56.287 0.004 0.000 0.927 108 K CB -0.224 32.277 32.500 0.001 0.000 0.716 108 K HN 0.474 nan 8.250 nan 0.000 0.450 109 T N 1.669 116.214 114.554 -0.015 0.000 2.777 109 T HA -0.122 4.227 4.350 -0.001 0.000 0.266 109 T C 1.725 176.421 174.700 -0.006 0.000 1.040 109 T CA 0.957 63.053 62.100 -0.008 0.000 1.141 109 T CB -0.152 68.689 68.868 -0.045 0.000 0.868 109 T HN 0.078 nan 8.240 nan 0.000 0.444 110 L N 1.098 122.279 121.223 -0.070 0.000 2.044 110 L HA -0.021 4.318 4.340 -0.001 0.000 0.205 110 L C 2.547 179.411 176.870 -0.009 0.000 1.075 110 L CA 1.845 56.616 54.840 -0.115 0.000 0.747 110 L CB -1.386 40.492 42.059 -0.301 0.000 0.903 110 L HN 0.175 nan 8.230 nan 0.000 0.435 111 T N 0.270 114.827 114.554 0.005 0.000 2.649 111 T HA -0.321 4.029 4.350 -0.001 0.000 0.268 111 T C 1.851 176.597 174.700 0.076 0.000 1.036 111 T CA 1.833 63.977 62.100 0.073 0.000 1.157 111 T CB -0.726 68.172 68.868 0.050 0.000 0.861 111 T HN 0.546 nan 8.240 nan 0.000 0.445 112 A N 1.490 124.360 122.820 0.083 0.000 2.019 112 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 112 A C 2.577 180.276 177.584 0.191 0.000 1.164 112 A CA 2.208 54.313 52.037 0.114 0.000 0.644 112 A CB -1.230 17.836 19.000 0.110 0.000 0.805 112 A HN 0.705 nan 8.150 nan 0.000 0.449 113 T N -1.250 113.445 114.554 0.235 0.000 2.803 113 T HA -0.145 4.205 4.350 -0.001 0.000 0.269 113 T C 1.756 176.619 174.700 0.271 0.000 1.052 113 T CA 1.490 63.809 62.100 0.365 0.000 1.136 113 T CB -0.624 68.393 68.868 0.249 0.000 0.864 113 T HN 0.347 nan 8.240 nan 0.000 0.467 114 L N 1.584 122.814 121.223 0.011 0.000 1.961 114 L HA 0.030 4.370 4.340 -0.001 0.000 0.210 114 L C 0.046 176.885 176.870 -0.051 0.000 1.072 114 L CA 1.376 56.028 54.840 -0.314 0.000 0.749 114 L CB -1.556 39.920 42.059 -0.971 0.000 0.889 114 L HN 0.238 nan 8.230 nan 0.000 0.432 115 P HA -0.086 nan 4.420 nan 0.000 0.229 115 P C 1.177 178.609 177.300 0.221 0.000 1.160 115 P CA 1.431 64.649 63.100 0.196 0.000 0.777 115 P CB 0.163 31.992 31.700 0.214 0.000 0.814 116 A N -0.202 122.767 122.820 0.249 0.000 1.873 116 A HA -0.209 4.110 4.320 -0.001 0.000 0.215 116 A C 2.348 180.004 177.584 0.121 0.000 1.186 116 A CA 1.278 53.432 52.037 0.194 0.000 0.616 116 A CB -1.867 17.237 19.000 0.174 0.000 0.823 116 A HN 0.122 nan 8.150 nan 0.000 0.442 117 Y N -0.090 120.285 120.300 0.126 0.000 2.089 117 Y HA -0.190 4.359 4.550 -0.001 0.000 0.282 117 Y C 2.106 178.074 175.900 0.113 0.000 1.139 117 Y CA 1.998 60.187 58.100 0.149 0.000 1.123 117 Y CB -0.615 38.014 38.460 0.283 0.000 0.980 117 Y HN 0.225 nan 8.280 nan 0.000 0.493 118 L N 1.254 122.640 121.223 0.271 0.000 2.010 118 L HA -0.341 3.998 4.340 -0.001 0.000 0.219 118 L C 1.799 178.635 176.870 -0.056 0.000 1.077 118 L CA 2.379 57.291 54.840 0.119 0.000 0.773 118 L CB -0.876 41.331 42.059 0.248 0.000 0.892 118 L HN 0.360 nan 8.230 nan 0.000 0.436 119 N N -1.065 117.595 118.700 -0.067 0.000 2.461 119 N HA 0.052 4.792 4.740 -0.001 0.000 0.188 119 N C 1.393 176.912 175.510 0.014 0.000 1.134 119 N CA 0.776 53.763 53.050 -0.106 0.000 0.878 119 N CB 0.223 38.445 38.487 -0.441 0.000 0.972 119 N HN 0.478 nan 8.380 nan 0.000 0.456 120 A N 0.408 123.190 122.820 -0.063 0.000 2.132 120 A HA 0.139 4.459 4.320 -0.001 0.000 0.213 120 A C 2.177 179.691 177.584 -0.116 0.000 1.154 120 A CA 0.029 52.018 52.037 -0.079 0.000 0.753 120 A CB -0.139 18.771 19.000 -0.150 0.000 0.826 120 A HN 0.125 nan 8.150 nan 0.000 0.469 121 L N 0.287 121.411 121.223 -0.164 0.000 2.083 121 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 121 L C 2.729 179.557 176.870 -0.070 0.000 1.083 121 L CA 1.787 56.550 54.840 -0.128 0.000 0.752 121 L CB -0.834 41.155 42.059 -0.116 0.000 0.899 121 L HN 0.597 nan 8.230 nan 0.000 0.433 122 T N -3.122 111.388 114.554 -0.074 0.000 3.163 122 T HA 0.122 4.472 4.350 -0.001 0.000 0.260 122 T C 1.388 176.028 174.700 -0.100 0.000 1.156 122 T CA 0.470 62.519 62.100 -0.085 0.000 1.072 122 T CB -0.031 68.768 68.868 -0.115 0.000 0.937 122 T HN 0.523 nan 8.240 nan 0.000 0.528 123 G N 1.609 110.358 108.800 -0.086 0.000 2.149 123 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.235 123 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.235 123 G C 0.642 175.488 174.900 -0.090 0.000 1.018 123 G CA 0.202 45.263 45.100 -0.065 0.000 0.728 123 G HN 0.507 nan 8.290 nan 0.000 0.508 124 K N -0.030 120.275 120.400 -0.160 0.000 2.402 124 K HA 0.467 4.787 4.320 -0.001 0.000 0.203 124 K C 1.237 177.812 176.600 -0.041 0.000 1.077 124 K CA 0.614 56.771 56.287 -0.216 0.000 1.051 124 K CB 0.997 33.121 32.500 -0.626 0.000 0.907 124 K HN 1.764 nan 8.250 nan 0.000 0.554 125 G N 0.847 109.685 108.800 0.064 0.000 2.699 125 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.686 125 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.686 125 G C -1.117 173.929 174.900 0.244 0.000 1.301 125 G CA -0.768 44.427 45.100 0.159 0.000 0.816 125 G HN -0.056 nan 8.290 nan 0.000 0.595 126 V N 1.483 121.514 119.914 0.195 0.000 2.733 126 V HA 0.536 4.656 4.120 -0.001 0.000 0.306 126 V C -0.281 175.922 176.094 0.182 0.000 1.084 126 V CA -0.818 61.573 62.300 0.152 0.000 0.905 126 V CB 2.091 33.982 31.823 0.113 0.000 1.010 126 V HN 0.873 nan 8.190 nan 0.000 0.424 127 H N 2.975 121.975 119.070 -0.117 0.000 2.638 127 H HA 0.504 5.059 4.556 -0.001 0.000 0.303 127 H C -0.651 174.493 175.328 -0.306 0.000 1.034 127 H CA -0.809 55.107 56.048 -0.219 0.000 1.225 127 H CB 1.812 31.305 29.762 -0.448 0.000 1.394 127 H HN 0.427 nan 8.280 nan 0.000 0.477 128 V N 5.145 124.971 119.914 -0.147 0.000 2.461 128 V HA 0.073 4.193 4.120 -0.001 0.000 0.275 128 V C 0.219 176.359 176.094 0.077 0.000 1.047 128 V CA -0.545 61.639 62.300 -0.194 0.000 0.955 128 V CB 1.230 32.789 31.823 -0.441 0.000 0.988 128 V HN 0.447 nan 8.190 nan 0.000 0.471 129 V N 4.757 124.711 119.914 0.066 0.000 2.357 129 V HA 0.516 4.636 4.120 -0.001 0.000 0.284 129 V C 0.426 176.578 176.094 0.097 0.000 1.018 129 V CA -0.404 62.023 62.300 0.212 0.000 0.841 129 V CB 1.508 33.437 31.823 0.176 0.000 0.991 129 V HN 1.018 nan 8.190 nan 0.000 0.437 130 T N 0.838 115.467 114.554 0.126 0.000 2.952 130 T HA 0.506 4.856 4.350 -0.001 0.000 0.286 130 T C 1.081 175.813 174.700 0.053 0.000 1.024 130 T CA -0.036 62.111 62.100 0.077 0.000 1.029 130 T CB 1.846 70.767 68.868 0.089 0.000 1.094 130 T HN 0.541 nan 8.240 nan 0.000 0.515 131 V N -0.868 119.068 119.914 0.035 0.000 2.951 131 V HA 0.215 4.335 4.120 -0.001 0.000 0.255 131 V C 0.431 176.551 176.094 0.045 0.000 1.088 131 V CA 0.907 63.222 62.300 0.025 0.000 1.109 131 V CB -1.824 30.008 31.823 0.015 0.000 0.724 131 V HN 1.064 nan 8.190 nan 0.000 0.471 132 N N -2.047 116.689 118.700 0.060 0.000 2.853 132 N HA 0.315 5.055 4.740 -0.001 0.000 0.258 132 N C -0.197 175.356 175.510 0.071 0.000 1.444 132 N CA -0.265 52.828 53.050 0.073 0.000 0.837 132 N CB 0.620 39.161 38.487 0.090 0.000 1.489 132 N HN -0.164 nan 8.380 nan 0.000 0.529 133 D N -1.024 119.421 120.400 0.075 0.000 2.183 133 D HA -0.106 4.533 4.640 -0.001 0.000 0.203 133 D C 1.125 177.462 176.300 0.062 0.000 0.969 133 D CA 1.059 55.090 54.000 0.052 0.000 0.842 133 D CB -0.301 40.529 40.800 0.052 0.000 0.957 133 D HN 0.571 nan 8.370 nan 0.000 0.484 134 Y N 1.826 122.126 120.300 0.000 0.000 2.128 134 Y HA -0.196 4.354 4.550 -0.000 0.000 0.284 134 Y C 2.114 178.005 175.900 -0.015 0.000 1.154 134 Y CA 1.407 59.502 58.100 -0.009 0.000 1.149 134 Y CB -0.528 37.927 38.460 -0.009 0.000 0.976 134 Y HN -0.108 nan 8.280 nan 0.000 0.505 135 L N -0.133 121.014 121.223 -0.127 0.000 2.083 135 L HA -0.229 4.111 4.340 -0.001 0.000 0.209 135 L C 2.820 179.594 176.870 -0.159 0.000 1.083 135 L CA 1.121 55.852 54.840 -0.182 0.000 0.752 135 L CB -1.079 40.975 42.059 -0.008 0.000 0.899 135 L HN 0.379 nan 8.230 nan 0.000 0.433 136 A N -0.115 122.664 122.820 -0.069 0.000 1.858 136 A HA -0.257 4.063 4.320 -0.001 0.000 0.216 136 A C 2.244 179.759 177.584 -0.116 0.000 1.190 136 A CA 1.708 53.739 52.037 -0.010 0.000 0.617 136 A CB -0.513 18.499 19.000 0.021 0.000 0.827 136 A HN 0.493 nan 8.150 nan 0.000 0.443 137 Q N -1.070 118.640 119.800 -0.150 0.000 2.079 137 Q HA -0.158 4.182 4.340 -0.001 0.000 0.200 137 Q C 2.418 178.266 176.000 -0.253 0.000 0.974 137 Q CA 1.378 57.081 55.803 -0.168 0.000 0.840 137 Q CB -0.241 28.424 28.738 -0.122 0.000 0.898 137 Q HN 0.650 nan 8.270 nan 0.000 0.430 138 R N 0.884 121.157 120.500 -0.377 0.000 2.082 138 R HA -0.179 4.161 4.340 -0.001 0.000 0.234 138 R C 1.501 177.609 176.300 -0.320 0.000 1.136 138 R CA 1.985 57.847 56.100 -0.397 0.000 0.935 138 R CB -0.082 29.858 30.300 -0.599 0.000 0.842 138 R HN 0.235 nan 8.270 nan 0.000 0.430 139 D N 0.144 120.340 120.400 -0.339 0.000 2.149 139 D HA -0.141 4.498 4.640 -0.001 0.000 0.198 139 D C 1.678 177.580 176.300 -0.663 0.000 0.990 139 D CA 1.494 55.261 54.000 -0.389 0.000 0.839 139 D CB -0.278 40.371 40.800 -0.252 0.000 0.948 139 D HN 0.393 nan 8.370 nan 0.000 0.460 140 A N 1.041 123.387 122.820 -0.790 0.000 1.898 140 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 140 A C 2.050 179.486 177.584 -0.248 0.000 1.181 140 A CA 1.175 52.804 52.037 -0.681 0.000 0.620 140 A CB -0.243 18.561 19.000 -0.327 0.000 0.819 140 A HN -0.001 nan 8.150 nan 0.000 0.442 141 E N 0.446 120.531 120.200 -0.192 0.000 2.152 141 E HA -0.117 4.233 4.350 -0.001 0.000 0.192 141 E C 1.600 178.161 176.600 -0.066 0.000 0.983 141 E CA 0.850 57.196 56.400 -0.091 0.000 0.818 141 E CB -0.411 29.238 29.700 -0.084 0.000 0.758 141 E HN 0.543 nan 8.360 nan 0.000 0.467 142 N N 1.177 119.806 118.700 -0.117 0.000 2.188 142 N HA -0.086 4.654 4.740 -0.001 0.000 0.184 142 N C 1.351 176.884 175.510 0.039 0.000 1.018 142 N CA 0.732 53.728 53.050 -0.091 0.000 0.858 142 N CB -0.235 38.135 38.487 -0.196 0.000 0.989 142 N HN 0.122 nan 8.380 nan 0.000 0.426 143 N N 0.482 119.205 118.700 0.038 0.000 2.424 143 N HA 0.003 4.743 4.740 -0.001 0.000 0.178 143 N C 1.559 177.167 175.510 0.164 0.000 1.060 143 N CA 0.089 53.230 53.050 0.151 0.000 0.901 143 N CB -0.006 38.618 38.487 0.229 0.000 0.979 143 N HN 0.279 nan 8.380 nan 0.000 0.451 144 R N 1.084 121.684 120.500 0.168 0.000 2.103 144 R HA -0.103 4.236 4.340 -0.001 0.000 0.242 144 R C -0.937 175.454 176.300 0.151 0.000 1.142 144 R CA 1.548 57.767 56.100 0.197 0.000 0.960 144 R CB -0.718 29.656 30.300 0.123 0.000 0.858 144 R HN 0.188 nan 8.270 nan 0.000 0.439 145 P HA -0.117 nan 4.420 nan 0.000 0.221 145 P C 1.141 178.423 177.300 -0.030 0.000 1.150 145 P CA 0.726 63.864 63.100 0.065 0.000 0.800 145 P CB -0.048 31.694 31.700 0.070 0.000 0.787 146 L N -1.559 119.540 121.223 -0.206 0.000 2.027 146 L HA -0.045 4.295 4.340 -0.001 0.000 0.206 146 L C 2.006 178.773 176.870 -0.171 0.000 1.074 146 L CA 2.019 56.577 54.840 -0.470 0.000 0.745 146 L CB -1.296 40.237 42.059 -0.877 0.000 0.898 146 L HN -0.199 nan 8.230 nan 0.000 0.433 147 F N 0.276 120.296 119.950 0.116 0.000 2.293 147 F HA -0.022 4.505 4.527 -0.001 0.000 0.297 147 F C 2.463 178.373 175.800 0.183 0.000 1.089 147 F CA 1.067 59.180 58.000 0.187 0.000 1.377 147 F CB -0.715 38.415 39.000 0.216 0.000 1.051 147 F HN 0.190 nan 8.300 nan 0.000 0.511 148 E N -0.428 119.952 120.200 0.300 0.000 2.077 148 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 148 E C 2.062 178.776 176.600 0.189 0.000 0.989 148 E CA 1.166 57.692 56.400 0.210 0.000 0.800 148 E CB -0.440 29.353 29.700 0.156 0.000 0.746 148 E HN 0.370 nan 8.360 nan 0.000 0.452 149 F N 0.880 120.851 119.950 0.035 0.000 2.154 149 F HA -0.184 4.342 4.527 -0.001 0.000 0.301 149 F C 1.509 177.329 175.800 0.033 0.000 1.087 149 F CA 1.246 59.244 58.000 -0.002 0.000 1.274 149 F CB 0.189 39.141 39.000 -0.080 0.000 1.009 149 F HN -0.062 nan 8.300 nan 0.000 0.485 150 L N -0.374 121.040 121.223 0.318 0.000 2.741 150 L HA 0.312 4.652 4.340 -0.001 0.000 0.237 150 L C 1.261 178.292 176.870 0.268 0.000 1.178 150 L CA 0.382 55.403 54.840 0.303 0.000 0.973 150 L CB -0.407 41.901 42.059 0.415 0.000 1.255 150 L HN 0.311 nan 8.230 nan 0.000 0.498 151 G N 0.802 109.709 108.800 0.178 0.000 2.176 151 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.252 151 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.252 151 G C -0.100 174.888 174.900 0.145 0.000 1.024 151 G CA 0.037 45.209 45.100 0.120 0.000 0.755 151 G HN 0.266 nan 8.290 nan 0.000 0.507 152 L N 0.218 121.566 121.223 0.208 0.000 2.319 152 L HA 0.789 5.128 4.340 -0.001 0.000 0.267 152 L C 0.923 177.896 176.870 0.171 0.000 1.011 152 L CA -0.558 54.385 54.840 0.171 0.000 0.818 152 L CB 2.150 44.322 42.059 0.188 0.000 1.316 152 L HN 0.332 nan 8.230 nan 0.000 0.432 153 T N -1.033 113.592 114.554 0.118 0.000 2.895 153 T HA 0.706 5.056 4.350 -0.001 0.000 0.283 153 T C -0.494 174.281 174.700 0.126 0.000 1.014 153 T CA -0.709 61.464 62.100 0.122 0.000 1.037 153 T CB 1.945 70.869 68.868 0.093 0.000 1.006 153 T HN 0.209 nan 8.240 nan 0.000 0.468 154 V N 1.551 121.561 119.914 0.159 0.000 2.540 154 V HA 0.787 4.907 4.120 -0.001 0.000 0.302 154 V C 0.666 176.860 176.094 0.166 0.000 1.035 154 V CA -0.661 61.761 62.300 0.203 0.000 0.873 154 V CB 1.742 33.745 31.823 0.300 0.000 0.992 154 V HN 1.284 nan 8.190 nan 0.000 0.428 155 G N 3.038 111.940 108.800 0.170 0.000 2.432 155 G HA2 0.750 4.710 3.960 -0.001 0.000 0.331 155 G HA3 0.750 4.710 3.960 -0.001 0.000 0.331 155 G C -1.556 173.418 174.900 0.124 0.000 1.170 155 G CA -0.570 44.595 45.100 0.108 0.000 0.943 155 G HN 0.657 nan 8.290 nan 0.000 0.483 156 I N 0.393 120.993 120.570 0.050 0.000 2.533 156 I HA 0.568 4.737 4.170 -0.001 0.000 0.290 156 I C -1.347 174.733 176.117 -0.062 0.000 1.056 156 I CA -1.114 60.199 61.300 0.022 0.000 1.057 156 I CB 2.295 40.308 38.000 0.022 0.000 1.240 156 I HN 0.368 nan 8.210 nan 0.000 0.423 157 N N 7.127 125.749 118.700 -0.130 0.000 2.392 157 N HA 0.717 5.457 4.740 -0.001 0.000 0.283 157 N C -1.863 173.571 175.510 -0.127 0.000 1.003 157 N CA -0.293 52.648 53.050 -0.182 0.000 0.892 157 N CB 1.144 39.395 38.487 -0.395 0.000 1.193 157 N HN 0.641 nan 8.380 nan 0.000 0.487 158 L N 3.132 124.316 121.223 -0.064 0.000 2.371 158 L HA 0.657 4.997 4.340 -0.001 0.000 0.262 158 L C -2.196 174.671 176.870 -0.004 0.000 1.006 158 L CA -2.222 52.599 54.840 -0.032 0.000 0.818 158 L CB 2.593 44.645 42.059 -0.013 0.000 1.354 158 L HN 0.442 nan 8.230 nan 0.000 0.415 159 P HA 0.053 nan 4.420 nan 0.000 0.265 159 P C 0.754 178.057 177.300 0.005 0.000 1.193 159 P CA 0.807 63.916 63.100 0.015 0.000 0.765 159 P CB 0.842 32.554 31.700 0.020 0.000 0.823 160 G N 2.016 110.816 108.800 -0.000 0.000 2.205 160 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.261 160 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.261 160 G C 0.213 175.119 174.900 0.010 0.000 0.980 160 G CA 0.281 45.381 45.100 0.001 0.000 0.632 160 G HN 0.640 nan 8.290 nan 0.000 0.533 161 M N 2.277 121.887 119.600 0.017 0.000 2.219 161 M HA 0.452 4.931 4.480 -0.001 0.000 0.353 161 M C -1.854 174.465 176.300 0.033 0.000 1.304 161 M CA -1.406 53.907 55.300 0.023 0.000 1.115 161 M CB 0.584 33.197 32.600 0.021 0.000 1.664 161 M HN -0.011 nan 8.290 nan 0.000 0.459 162 P HA 0.047 nan 4.420 nan 0.000 0.268 162 P C -0.324 177.006 177.300 0.050 0.000 1.208 162 P CA 0.049 63.169 63.100 0.034 0.000 0.777 162 P CB 0.512 32.229 31.700 0.028 0.000 0.875 163 A N 4.827 127.678 122.820 0.052 0.000 1.917 163 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 163 A C -0.452 177.177 177.584 0.075 0.000 1.182 163 A CA 1.935 54.013 52.037 0.068 0.000 0.633 163 A CB -2.457 16.576 19.000 0.055 0.000 0.819 163 A HN 0.496 nan 8.150 nan 0.000 0.448 164 P HA -0.116 nan 4.420 nan 0.000 0.216 164 P C 1.637 178.978 177.300 0.069 0.000 1.150 164 P CA 1.886 65.022 63.100 0.059 0.000 0.837 164 P CB -0.093 31.634 31.700 0.044 0.000 0.786 165 A N -0.405 122.452 122.820 0.061 0.000 1.968 165 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 165 A C 2.066 179.695 177.584 0.074 0.000 1.169 165 A CA 1.359 53.431 52.037 0.058 0.000 0.638 165 A CB -0.873 18.152 19.000 0.041 0.000 0.812 165 A HN 0.124 nan 8.150 nan 0.000 0.446 166 K N -0.426 120.035 120.400 0.102 0.000 2.057 166 K HA -0.091 4.228 4.320 -0.001 0.000 0.206 166 K C 2.286 179.046 176.600 0.268 0.000 1.050 166 K CA 1.276 57.661 56.287 0.163 0.000 0.935 166 K CB -0.173 32.457 32.500 0.217 0.000 0.715 166 K HN 0.378 nan 8.250 nan 0.000 0.439 167 R N 1.069 121.699 120.500 0.216 0.000 2.073 167 R HA -0.140 4.199 4.340 -0.001 0.000 0.234 167 R C 2.190 178.606 176.300 0.193 0.000 1.134 167 R CA 1.443 57.672 56.100 0.215 0.000 0.952 167 R CB -0.206 30.171 30.300 0.129 0.000 0.850 167 R HN 0.309 nan 8.270 nan 0.000 0.433 168 E N 0.441 120.720 120.200 0.132 0.000 2.070 168 E HA -0.233 4.117 4.350 -0.001 0.000 0.197 168 E C 2.029 178.692 176.600 0.105 0.000 1.004 168 E CA 1.478 57.941 56.400 0.104 0.000 0.805 168 E CB -0.143 29.602 29.700 0.076 0.000 0.744 168 E HN 0.372 nan 8.360 nan 0.000 0.451 169 A N 0.253 123.119 122.820 0.078 0.000 1.902 169 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 169 A C 1.782 179.379 177.584 0.022 0.000 1.181 169 A CA 1.347 53.387 52.037 0.006 0.000 0.623 169 A CB -0.699 18.232 19.000 -0.115 0.000 0.818 169 A HN 0.298 nan 8.150 nan 0.000 0.443 170 Y N -0.608 119.768 120.300 0.128 0.000 2.457 170 Y HA 0.171 4.721 4.550 -0.001 0.000 0.292 170 Y C 2.587 178.577 175.900 0.151 0.000 1.125 170 Y CA 0.483 58.685 58.100 0.170 0.000 1.254 170 Y CB -0.164 38.405 38.460 0.181 0.000 1.012 170 Y HN 0.324 nan 8.280 nan 0.000 0.555 171 A N 0.001 122.971 122.820 0.249 0.000 2.169 171 A HA 0.390 4.710 4.320 -0.001 0.000 0.212 171 A C 1.563 179.225 177.584 0.130 0.000 1.153 171 A CA 0.457 52.594 52.037 0.167 0.000 0.756 171 A CB -0.801 18.274 19.000 0.125 0.000 0.813 171 A HN 0.212 nan 8.150 nan 0.000 0.471 172 A N -0.119 122.778 122.820 0.128 0.000 2.366 172 A HA 0.280 4.600 4.320 -0.001 0.000 0.250 172 A C 0.833 178.473 177.584 0.094 0.000 1.099 172 A CA 0.232 52.329 52.037 0.101 0.000 0.794 172 A CB 0.181 19.240 19.000 0.099 0.000 1.056 172 A HN 0.333 nan 8.150 nan 0.000 0.499 173 D N -0.594 119.842 120.400 0.060 0.000 2.149 173 D HA 0.030 4.670 4.640 -0.001 0.000 0.201 173 D C 0.186 176.488 176.300 0.003 0.000 0.972 173 D CA 1.524 55.538 54.000 0.023 0.000 0.835 173 D CB 0.061 40.855 40.800 -0.010 0.000 0.966 173 D HN 0.468 nan 8.370 nan 0.000 0.476 174 I N 0.281 120.845 120.570 -0.010 0.000 2.534 174 I HA 0.142 4.312 4.170 -0.001 0.000 0.288 174 I C -0.593 175.531 176.117 0.012 0.000 1.077 174 I CA -0.372 60.892 61.300 -0.061 0.000 1.051 174 I CB 2.558 40.400 38.000 -0.263 0.000 1.234 174 I HN -0.362 nan 8.210 nan 0.000 0.425 175 T N 4.407 118.961 114.554 0.002 0.000 2.855 175 T HA 0.589 4.939 4.350 -0.001 0.000 0.281 175 T C -1.036 173.599 174.700 -0.109 0.000 1.007 175 T CA -0.500 61.619 62.100 0.031 0.000 1.009 175 T CB 1.116 70.013 68.868 0.047 0.000 0.983 175 T HN 0.198 nan 8.240 nan 0.000 0.455 176 Y N 0.469 120.810 120.300 0.069 0.000 2.393 176 Y HA 0.699 5.249 4.550 -0.001 0.000 0.341 176 Y C 0.749 176.608 175.900 -0.068 0.000 0.988 176 Y CA -0.444 57.694 58.100 0.062 0.000 1.078 176 Y CB 2.440 40.920 38.460 0.033 0.000 1.203 176 Y HN 0.994 nan 8.280 nan 0.000 0.453 177 G N 0.210 109.027 108.800 0.027 0.000 2.368 177 G HA2 0.412 4.371 3.960 -0.001 0.000 0.293 177 G HA3 0.412 4.371 3.960 -0.001 0.000 0.293 177 G C -1.119 173.651 174.900 -0.216 0.000 1.467 177 G CA -0.988 43.932 45.100 -0.300 0.000 0.804 177 G HN 0.578 nan 8.290 nan 0.000 0.535 178 T N -0.721 113.720 114.554 -0.188 0.000 2.882 178 T HA 0.294 4.643 4.350 -0.001 0.000 0.287 178 T C 1.799 176.548 174.700 0.083 0.000 1.014 178 T CA 0.252 62.350 62.100 -0.003 0.000 1.049 178 T CB 1.227 70.119 68.868 0.041 0.000 1.001 178 T HN 0.821 nan 8.240 nan 0.000 0.525 179 N N 2.239 121.090 118.700 0.252 0.000 2.091 179 N HA -0.261 4.479 4.740 -0.001 0.000 0.193 179 N C 1.266 177.006 175.510 0.384 0.000 1.021 179 N CA 1.718 55.018 53.050 0.417 0.000 0.862 179 N CB -0.992 37.600 38.487 0.175 0.000 1.018 179 N HN 0.673 nan 8.380 nan 0.000 0.429 180 N N 0.564 119.429 118.700 0.274 0.000 2.106 180 N HA -0.148 4.592 4.740 -0.001 0.000 0.188 180 N C 1.459 177.038 175.510 0.115 0.000 1.029 180 N CA 1.259 54.439 53.050 0.217 0.000 0.848 180 N CB -0.080 38.593 38.487 0.309 0.000 1.007 180 N HN 0.367 nan 8.380 nan 0.000 0.423 181 E N 0.181 120.477 120.200 0.160 0.000 2.152 181 E HA -0.090 4.259 4.350 -0.001 0.000 0.192 181 E C 1.522 178.191 176.600 0.115 0.000 0.983 181 E CA 0.953 57.452 56.400 0.164 0.000 0.818 181 E CB -0.169 29.548 29.700 0.029 0.000 0.758 181 E HN 0.334 nan 8.360 nan 0.000 0.467 182 Y N -0.184 120.185 120.300 0.116 0.000 2.097 182 Y HA -0.056 4.493 4.550 -0.001 0.000 0.282 182 Y C 2.390 178.157 175.900 -0.222 0.000 1.152 182 Y CA 1.544 59.713 58.100 0.115 0.000 1.136 182 Y CB -1.089 37.519 38.460 0.246 0.000 0.975 182 Y HN 0.192 nan 8.280 nan 0.000 0.498 183 G N -0.797 107.719 108.800 -0.474 0.000 2.446 183 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 183 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 183 G C 1.454 176.141 174.900 -0.357 0.000 1.168 183 G CA 1.008 45.570 45.100 -0.896 0.000 0.771 183 G HN 0.297 nan 8.290 nan 0.000 0.551 184 F N 1.555 121.466 119.950 -0.065 0.000 2.146 184 F HA 0.020 4.547 4.527 -0.001 0.000 0.298 184 F C 2.477 178.304 175.800 0.045 0.000 1.096 184 F CA 1.096 59.097 58.000 0.002 0.000 1.275 184 F CB -0.393 38.617 39.000 0.017 0.000 1.008 184 F HN 0.063 nan 8.300 nan 0.000 0.480 185 D N -0.882 119.677 120.400 0.265 0.000 2.133 185 D HA -0.264 4.376 4.640 -0.001 0.000 0.195 185 D C 2.073 178.456 176.300 0.139 0.000 0.997 185 D CA 1.414 55.536 54.000 0.205 0.000 0.840 185 D CB -0.769 40.203 40.800 0.287 0.000 0.947 185 D HN 0.325 nan 8.370 nan 0.000 0.452 186 Y N 1.446 121.789 120.300 0.070 0.000 2.128 186 Y HA -0.189 4.361 4.550 -0.001 0.000 0.284 186 Y C 2.311 178.256 175.900 0.076 0.000 1.154 186 Y CA 1.395 59.550 58.100 0.090 0.000 1.149 186 Y CB -0.462 38.127 38.460 0.215 0.000 0.976 186 Y HN -0.079 nan 8.280 nan 0.000 0.505 187 L N -0.296 120.983 121.223 0.094 0.000 2.046 187 L HA -0.247 4.092 4.340 -0.001 0.000 0.208 187 L C 2.657 179.511 176.870 -0.026 0.000 1.077 187 L CA 1.665 56.548 54.840 0.072 0.000 0.747 187 L CB -0.554 41.632 42.059 0.212 0.000 0.896 187 L HN 0.178 nan 8.230 nan 0.000 0.432 188 R N -0.184 120.328 120.500 0.021 0.000 2.092 188 R HA -0.144 4.195 4.340 -0.001 0.000 0.231 188 R C 1.857 178.112 176.300 -0.076 0.000 1.119 188 R CA 1.342 57.445 56.100 0.005 0.000 0.970 188 R CB -0.276 30.054 30.300 0.051 0.000 0.864 188 R HN 0.316 nan 8.270 nan 0.000 0.440 189 D N 0.266 120.587 120.400 -0.133 0.000 2.182 189 D HA -0.112 4.527 4.640 -0.001 0.000 0.201 189 D C 0.965 177.083 176.300 -0.302 0.000 0.986 189 D CA 1.053 54.936 54.000 -0.195 0.000 0.847 189 D CB -0.164 40.501 40.800 -0.226 0.000 0.942 189 D HN 0.146 nan 8.370 nan 0.000 0.467 190 N N -0.422 118.015 118.700 -0.437 0.000 2.268 190 N HA 0.132 4.871 4.740 -0.001 0.000 0.204 190 N C 0.761 175.989 175.510 -0.470 0.000 1.124 190 N CA 0.055 52.716 53.050 -0.649 0.000 0.838 190 N CB 0.480 38.254 38.487 -1.188 0.000 0.994 190 N HN 0.268 nan 8.380 nan 0.000 0.489 191 M N -0.330 119.129 119.600 -0.234 0.000 2.313 191 M HA 0.254 4.734 4.480 -0.001 0.000 0.273 191 M C 0.524 176.831 176.300 0.011 0.000 1.049 191 M CA -0.194 55.055 55.300 -0.086 0.000 1.004 191 M CB 0.874 33.489 32.600 0.024 0.000 1.461 191 M HN -0.078 nan 8.290 nan 0.000 0.514 192 A N -0.021 122.765 122.820 -0.056 0.000 2.425 192 A HA 0.272 4.592 4.320 -0.001 0.000 0.242 192 A C 0.011 177.592 177.584 -0.004 0.000 1.077 192 A CA 0.245 52.304 52.037 0.036 0.000 0.781 192 A CB 0.056 19.032 19.000 -0.041 0.000 1.020 192 A HN 0.416 nan 8.150 nan 0.000 0.494 193 F N 0.300 120.220 119.950 -0.050 0.000 2.678 193 F HA 0.206 4.733 4.527 -0.001 0.000 0.305 193 F C 1.101 176.891 175.800 -0.016 0.000 1.090 193 F CA 0.862 58.842 58.000 -0.034 0.000 1.272 193 F CB 0.373 39.361 39.000 -0.019 0.000 1.060 193 F HN 0.569 nan 8.300 nan 0.000 0.576 194 S N -1.374 114.392 115.700 0.110 0.000 2.541 194 S HA 0.430 4.899 4.470 -0.001 0.000 0.271 194 S C -2.424 172.182 174.600 0.010 0.000 1.133 194 S CA -1.296 56.939 58.200 0.058 0.000 0.876 194 S CB 2.161 65.412 63.200 0.085 0.000 1.105 194 S HN -0.235 nan 8.310 nan 0.000 0.470 195 P HA 0.002 nan 4.420 nan 0.000 0.223 195 P C 0.716 178.011 177.300 -0.009 0.000 1.151 195 P CA 1.110 64.195 63.100 -0.024 0.000 0.787 195 P CB 0.005 31.692 31.700 -0.023 0.000 0.788 196 E N 0.418 120.624 120.200 0.010 0.000 2.204 196 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 196 E C 1.862 178.472 176.600 0.017 0.000 0.989 196 E CA 0.920 57.330 56.400 0.016 0.000 0.824 196 E CB -0.723 28.991 29.700 0.023 0.000 0.756 196 E HN 0.431 nan 8.360 nan 0.000 0.477 197 E N 0.452 120.663 120.200 0.018 0.000 2.268 197 E HA -0.068 4.282 4.350 -0.001 0.000 0.195 197 E C 0.301 176.903 176.600 0.004 0.000 0.995 197 E CA 0.225 56.637 56.400 0.020 0.000 0.836 197 E CB 0.056 29.777 29.700 0.035 0.000 0.763 197 E HN 0.145 nan 8.360 nan 0.000 0.491 198 R N 0.482 120.971 120.500 -0.018 0.000 2.679 198 R HA -0.018 4.322 4.340 -0.001 0.000 0.268 198 R C 1.361 177.645 176.300 -0.026 0.000 1.044 198 R CA 0.107 56.181 56.100 -0.044 0.000 1.105 198 R CB 0.789 31.049 30.300 -0.066 0.000 0.989 198 R HN 0.077 nan 8.270 nan 0.000 0.447 199 V N -0.755 119.128 119.914 -0.052 0.000 3.085 199 V HA 0.070 4.189 4.120 -0.001 0.000 0.245 199 V C 0.599 176.552 176.094 -0.235 0.000 1.114 199 V CA 0.373 62.654 62.300 -0.031 0.000 1.108 199 V CB -0.052 31.824 31.823 0.088 0.000 0.798 199 V HN 0.569 nan 8.190 nan 0.000 0.471 200 Q N 1.155 120.704 119.800 -0.418 0.000 2.221 200 Q HA 0.537 4.876 4.340 -0.001 0.000 0.242 200 Q C -0.404 175.486 176.000 -0.184 0.000 0.940 200 Q CA -0.648 54.769 55.803 -0.643 0.000 0.896 200 Q CB 1.576 30.029 28.738 -0.474 0.000 1.226 200 Q HN 0.557 nan 8.270 nan 0.000 0.463 201 R N 0.447 120.918 120.500 -0.049 0.000 2.603 201 R HA 0.350 4.690 4.340 -0.001 0.000 0.231 201 R C -0.240 176.062 176.300 0.003 0.000 1.263 201 R CA -1.020 55.085 56.100 0.009 0.000 1.102 201 R CB 0.284 30.616 30.300 0.052 0.000 1.527 201 R HN 0.390 nan 8.270 nan 0.000 0.554 202 K N 1.223 121.620 120.400 -0.005 0.000 2.489 202 K HA 0.003 4.323 4.320 -0.001 0.000 0.278 202 K C -0.540 176.029 176.600 -0.052 0.000 1.000 202 K CA 0.022 56.295 56.287 -0.025 0.000 1.012 202 K CB 0.276 32.763 32.500 -0.022 0.000 0.903 202 K HN 0.372 nan 8.250 nan 0.000 0.485 203 L N 6.024 127.151 121.223 -0.161 0.000 2.407 203 L HA 0.061 4.401 4.340 -0.001 0.000 0.282 203 L C 1.422 178.180 176.870 -0.186 0.000 1.110 203 L CA -0.183 54.402 54.840 -0.424 0.000 0.863 203 L CB 0.186 41.627 42.059 -1.028 0.000 1.207 203 L HN 0.810 nan 8.230 nan 0.000 0.454 204 H N 4.018 123.013 119.070 -0.126 0.000 2.334 204 H HA 0.048 4.604 4.556 -0.001 0.000 0.315 204 H C -0.704 174.765 175.328 0.234 0.000 1.056 204 H CA 0.213 56.280 56.048 0.031 0.000 1.418 204 H CB 0.829 30.588 29.762 -0.005 0.000 1.464 204 H HN 0.463 nan 8.280 nan 0.000 0.587 205 Y N 0.847 120.988 120.300 -0.266 0.000 2.361 205 Y HA 0.534 5.084 4.550 -0.001 0.000 0.328 205 Y C -1.577 174.125 175.900 -0.330 0.000 1.044 205 Y CA -1.017 56.852 58.100 -0.385 0.000 1.085 205 Y CB 1.226 39.351 38.460 -0.559 0.000 1.194 205 Y HN 0.315 nan 8.280 nan 0.000 0.438 206 A N 6.550 128.833 122.820 -0.895 0.000 2.291 206 A HA 0.654 4.974 4.320 -0.001 0.000 0.311 206 A C -2.108 174.891 177.584 -0.975 0.000 1.224 206 A CA -0.619 50.814 52.037 -1.006 0.000 0.821 206 A CB 0.653 18.868 19.000 -1.308 0.000 1.172 206 A HN 0.689 nan 8.150 nan 0.000 0.494 207 L N 4.361 125.066 121.223 -0.864 0.000 2.294 207 L HA 0.612 4.951 4.340 -0.001 0.000 0.283 207 L C -0.969 175.671 176.870 -0.383 0.000 1.015 207 L CA -0.245 54.210 54.840 -0.643 0.000 0.831 207 L CB 1.431 43.147 42.059 -0.572 0.000 1.217 207 L HN 0.360 nan 8.230 nan 0.000 0.420 208 V N 5.756 125.449 119.914 -0.368 0.000 2.370 208 V HA 0.299 4.419 4.120 -0.001 0.000 0.279 208 V C 0.490 176.457 176.094 -0.212 0.000 1.029 208 V CA -0.410 61.695 62.300 -0.324 0.000 0.870 208 V CB 1.162 32.693 31.823 -0.488 0.000 0.984 208 V HN 0.694 nan 8.190 nan 0.000 0.451 209 D N 2.687 123.009 120.400 -0.129 0.000 2.149 209 D HA -0.011 4.629 4.640 -0.001 0.000 0.201 209 D C 0.597 176.853 176.300 -0.074 0.000 0.972 209 D CA 1.228 55.185 54.000 -0.071 0.000 0.835 209 D CB 0.440 41.230 40.800 -0.017 0.000 0.966 209 D HN 0.698 nan 8.370 nan 0.000 0.476 210 E N 0.210 120.359 120.200 -0.085 0.000 2.460 210 E HA 0.145 4.495 4.350 -0.001 0.000 0.249 210 E C 0.823 177.373 176.600 -0.083 0.000 0.962 210 E CA -0.152 56.208 56.400 -0.066 0.000 0.787 210 E CB 2.303 31.980 29.700 -0.037 0.000 1.341 210 E HN -0.104 nan 8.360 nan 0.000 0.407 211 V N -0.617 119.245 119.914 -0.087 0.000 2.809 211 V HA -0.143 3.976 4.120 -0.001 0.000 0.256 211 V C 1.244 177.383 176.094 0.076 0.000 1.080 211 V CA 1.194 63.456 62.300 -0.063 0.000 1.102 211 V CB -0.138 31.610 31.823 -0.126 0.000 0.705 211 V HN 0.371 nan 8.190 nan 0.000 0.475 212 D N 2.064 122.517 120.400 0.089 0.000 2.097 212 D HA -0.149 4.491 4.640 -0.001 0.000 0.195 212 D C 2.580 178.885 176.300 0.009 0.000 0.989 212 D CA 2.317 56.362 54.000 0.074 0.000 0.827 212 D CB -0.292 40.542 40.800 0.056 0.000 0.966 212 D HN 0.717 nan 8.370 nan 0.000 0.456 213 S N 0.052 115.746 115.700 -0.011 0.000 2.371 213 S HA -0.044 4.425 4.470 -0.001 0.000 0.224 213 S C 2.284 176.849 174.600 -0.059 0.000 1.029 213 S CA 0.479 58.663 58.200 -0.027 0.000 0.978 213 S CB -0.525 62.659 63.200 -0.027 0.000 0.833 213 S HN 0.219 nan 8.310 nan 0.000 0.466 214 I N 0.777 121.289 120.570 -0.098 0.000 2.333 214 I HA 0.031 4.200 4.170 -0.001 0.000 0.246 214 I C 2.224 178.254 176.117 -0.145 0.000 1.106 214 I CA 1.016 62.206 61.300 -0.183 0.000 1.411 214 I CB -0.114 37.750 38.000 -0.227 0.000 1.082 214 I HN 0.275 nan 8.210 nan 0.000 0.420 215 L N -0.556 120.609 121.223 -0.097 0.000 2.470 215 L HA 0.062 4.402 4.340 -0.001 0.000 0.219 215 L C 2.080 179.059 176.870 0.182 0.000 1.071 215 L CA 0.291 55.122 54.840 -0.016 0.000 0.850 215 L CB 0.245 42.161 42.059 -0.240 0.000 1.040 215 L HN 0.162 nan 8.230 nan 0.000 0.475 216 I N -0.236 120.366 120.570 0.054 0.000 2.962 216 I HA -0.038 4.132 4.170 -0.001 0.000 0.246 216 I C 1.973 178.102 176.117 0.020 0.000 1.091 216 I CA 0.949 62.234 61.300 -0.025 0.000 1.469 216 I CB -0.959 36.905 38.000 -0.227 0.000 1.324 216 I HN 0.103 nan 8.210 nan 0.000 0.461 217 D N 1.238 121.643 120.400 0.009 0.000 2.144 217 D HA -0.148 4.491 4.640 -0.001 0.000 0.199 217 D C 1.525 177.867 176.300 0.069 0.000 0.984 217 D CA 1.053 55.070 54.000 0.028 0.000 0.834 217 D CB -0.061 40.747 40.800 0.015 0.000 0.955 217 D HN 0.321 nan 8.370 nan 0.000 0.465 218 E N 0.316 120.562 120.200 0.077 0.000 2.465 218 E HA 0.198 4.548 4.350 -0.001 0.000 0.191 218 E C 1.730 178.504 176.600 0.291 0.000 1.053 218 E CA -0.065 56.425 56.400 0.150 0.000 0.869 218 E CB 0.268 29.978 29.700 0.016 0.000 0.977 218 E HN 0.149 nan 8.360 nan 0.000 0.483 219 A N 1.509 124.476 122.820 0.244 0.000 1.892 219 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 219 A C 2.074 179.819 177.584 0.267 0.000 1.188 219 A CA 1.385 53.604 52.037 0.302 0.000 0.631 219 A CB -0.216 18.909 19.000 0.209 0.000 0.822 219 A HN 0.115 nan 8.150 nan 0.000 0.447 220 R N -0.872 119.740 120.500 0.187 0.000 2.334 220 R HA 0.090 4.429 4.340 -0.001 0.000 0.216 220 R C -0.275 176.100 176.300 0.126 0.000 0.905 220 R CA 0.126 56.302 56.100 0.127 0.000 1.064 220 R CB 0.034 30.380 30.300 0.077 0.000 1.046 220 R HN 0.338 nan 8.270 nan 0.000 0.508 221 T N 4.532 119.204 114.554 0.197 0.000 2.829 221 T HA 0.079 4.429 4.350 -0.001 0.000 0.293 221 T C -2.359 172.355 174.700 0.024 0.000 0.970 221 T CA -0.820 61.379 62.100 0.165 0.000 1.168 221 T CB 0.891 69.943 68.868 0.306 0.000 0.911 221 T HN 0.023 nan 8.240 nan 0.000 0.535 222 P HA 0.272 nan 4.420 nan 0.000 0.281 222 P C -0.434 176.773 177.300 -0.155 0.000 1.252 222 P CA -0.428 62.621 63.100 -0.084 0.000 0.778 222 P CB 0.508 32.198 31.700 -0.017 0.000 0.895 223 L N 4.698 125.732 121.223 -0.316 0.000 2.305 223 L HA 0.457 4.796 4.340 -0.001 0.000 0.281 223 L C 0.523 177.389 176.870 -0.007 0.000 1.085 223 L CA -0.341 54.325 54.840 -0.289 0.000 0.813 223 L CB 0.363 41.991 42.059 -0.718 0.000 1.157 223 L HN 0.275 nan 8.230 nan 0.000 0.436 224 I N 3.931 124.619 120.570 0.196 0.000 2.569 224 I HA 0.375 4.545 4.170 -0.001 0.000 0.290 224 I C -0.733 175.522 176.117 0.230 0.000 1.088 224 I CA -0.356 61.048 61.300 0.173 0.000 1.047 224 I CB 2.681 40.746 38.000 0.108 0.000 1.237 224 I HN 0.424 nan 8.210 nan 0.000 0.421 225 I N 4.811 125.487 120.570 0.178 0.000 2.377 225 I HA 0.372 4.542 4.170 -0.001 0.000 0.293 225 I C 0.058 176.224 176.117 0.081 0.000 0.987 225 I CA 0.157 61.528 61.300 0.118 0.000 1.185 225 I CB 1.871 39.947 38.000 0.127 0.000 1.341 225 I HN 0.424 nan 8.210 nan 0.000 0.455 226 S N 2.717 118.444 115.700 0.046 0.000 2.607 226 S HA 0.955 5.424 4.470 -0.001 0.000 0.303 226 S C -0.234 174.381 174.600 0.024 0.000 1.086 226 S CA -0.518 57.702 58.200 0.032 0.000 0.995 226 S CB 1.944 65.157 63.200 0.022 0.000 1.084 226 S HN 0.861 nan 8.310 nan 0.000 0.507 227 G N 1.504 110.317 108.800 0.022 0.000 2.559 227 G HA2 0.557 4.516 3.960 -0.001 0.000 0.291 227 G HA3 0.557 4.516 3.960 -0.001 0.000 0.291 227 G C -3.430 171.479 174.900 0.016 0.000 1.424 227 G CA -0.891 44.220 45.100 0.018 0.000 0.786 227 G HN 0.466 nan 8.290 nan 0.000 0.485 366 Q N 2.286 122.089 119.800 0.005 0.000 2.397 366 Q HA 0.366 4.706 4.340 -0.001 0.000 0.193 366 Q C 0.903 176.907 176.000 0.007 0.000 1.083 366 Q CA -0.019 55.787 55.803 0.005 0.000 1.108 366 Q CB 0.384 29.126 28.738 0.006 0.000 1.172 366 Q HN 0.646 nan 8.270 nan 0.000 0.617 367 N N 0.075 118.779 118.700 0.007 0.000 2.333 367 N HA -0.040 4.700 4.740 -0.001 0.000 0.183 367 N C -0.803 174.714 175.510 0.011 0.000 1.030 367 N CA 0.932 53.987 53.050 0.008 0.000 0.867 367 N CB 0.362 38.853 38.487 0.007 0.000 1.027 367 N HN 0.571 nan 8.380 nan 0.000 0.435 368 E N -0.711 119.495 120.200 0.011 0.000 9.124 368 E HA -0.262 4.088 4.350 -0.001 0.000 0.465 368 E C -0.758 175.850 176.600 0.014 0.000 1.360 368 E CA 1.055 57.462 56.400 0.013 0.000 2.361 368 E CB -0.731 28.979 29.700 0.016 0.000 1.026 368 E HN 0.774 nan 8.360 nan 0.000 0.374 369 N N -0.202 118.507 118.700 0.015 0.000 2.416 369 N HA 0.580 5.319 4.740 -0.001 0.000 0.276 369 N C -1.516 174.002 175.510 0.014 0.000 1.261 369 N CA -0.636 52.422 53.050 0.014 0.000 0.790 369 N CB 1.870 40.364 38.487 0.011 0.000 1.554 369 N HN 0.584 nan 8.380 nan 0.000 0.481 370 Q N -0.465 119.342 119.800 0.011 0.000 2.630 370 Q HA 0.383 4.723 4.340 -0.001 0.000 0.295 370 Q C -1.548 174.454 176.000 0.004 0.000 0.944 370 Q CA -1.048 54.757 55.803 0.003 0.000 0.766 370 Q CB 1.242 29.978 28.738 -0.004 0.000 1.471 370 Q HN 0.467 nan 8.270 nan 0.000 0.416 371 T N 2.013 116.559 114.554 -0.013 0.000 2.814 371 T HA 0.250 4.600 4.350 -0.001 0.000 0.297 371 T C 0.730 175.437 174.700 0.012 0.000 0.956 371 T CA -0.140 61.959 62.100 -0.001 0.000 1.123 371 T CB 0.186 69.035 68.868 -0.031 0.000 0.902 371 T HN 0.497 nan 8.240 nan 0.000 0.528 372 L N 1.677 122.937 121.223 0.063 0.000 2.408 372 L HA 0.493 4.833 4.340 -0.001 0.000 0.215 372 L C 1.084 178.074 176.870 0.199 0.000 1.081 372 L CA -0.058 54.849 54.840 0.111 0.000 0.840 372 L CB 0.009 42.135 42.059 0.113 0.000 1.002 372 L HN 0.640 nan 8.230 nan 0.000 0.468 373 A N -0.754 122.185 122.820 0.198 0.000 2.540 373 A HA 0.673 4.993 4.320 -0.001 0.000 0.297 373 A C -0.994 176.729 177.584 0.232 0.000 1.056 373 A CA -0.276 51.948 52.037 0.312 0.000 0.700 373 A CB 1.853 21.038 19.000 0.307 0.000 1.280 373 A HN -0.121 nan 8.150 nan 0.000 0.398 374 S N 0.971 116.823 115.700 0.252 0.000 2.536 374 S HA 0.858 5.328 4.470 -0.001 0.000 0.271 374 S C -1.467 173.214 174.600 0.134 0.000 1.134 374 S CA -0.374 57.911 58.200 0.143 0.000 0.897 374 S CB 1.124 64.368 63.200 0.073 0.000 1.094 374 S HN 1.362 nan 8.310 nan 0.000 0.473 375 I N 2.844 123.443 120.570 0.048 0.000 2.787 375 I HA 0.447 4.616 4.170 -0.001 0.000 0.294 375 I C -0.157 175.912 176.117 -0.079 0.000 1.365 375 I CA -0.401 60.913 61.300 0.024 0.000 1.029 375 I CB 2.334 40.387 38.000 0.089 0.000 1.313 375 I HN 0.798 nan 8.210 nan 0.000 0.431 376 T N 2.036 116.570 114.554 -0.034 0.000 2.849 376 T HA 0.325 4.675 4.350 -0.001 0.000 0.284 376 T C 0.882 175.577 174.700 -0.009 0.000 1.004 376 T CA -0.158 61.914 62.100 -0.046 0.000 1.021 376 T CB 0.763 69.660 68.868 0.049 0.000 1.013 376 T HN 0.398 nan 8.240 nan 0.000 0.527 377 F N 0.331 120.359 119.950 0.130 0.000 2.134 377 F HA -0.026 4.501 4.527 -0.001 0.000 0.299 377 F C 2.946 178.963 175.800 0.362 0.000 1.097 377 F CA 1.535 59.672 58.000 0.228 0.000 1.264 377 F CB -0.583 38.609 39.000 0.320 0.000 1.001 377 F HN 0.734 nan 8.300 nan 0.000 0.479 378 Q N 0.506 120.599 119.800 0.488 0.000 2.045 378 Q HA -0.250 4.089 4.340 -0.001 0.000 0.206 378 Q C 1.818 178.000 176.000 0.303 0.000 0.991 378 Q CA 1.929 57.973 55.803 0.402 0.000 0.851 378 Q CB -0.252 28.536 28.738 0.083 0.000 0.911 378 Q HN 0.336 nan 8.270 nan 0.000 0.418 379 N N -0.415 118.385 118.700 0.166 0.000 2.396 379 N HA -0.122 4.617 4.740 -0.001 0.000 0.180 379 N C 1.456 176.984 175.510 0.030 0.000 1.028 379 N CA 0.722 53.819 53.050 0.078 0.000 0.893 379 N CB -0.300 38.211 38.487 0.040 0.000 0.967 379 N HN 0.363 nan 8.380 nan 0.000 0.440 380 Y N 0.759 121.009 120.300 -0.082 0.000 2.114 380 Y HA -0.143 4.407 4.550 -0.001 0.000 0.284 380 Y C 1.734 177.533 175.900 -0.168 0.000 1.143 380 Y CA 1.508 59.449 58.100 -0.265 0.000 1.135 380 Y CB -0.544 37.688 38.460 -0.380 0.000 0.980 380 Y HN -0.145 nan 8.280 nan 0.000 0.499 381 F N 0.295 120.317 119.950 0.119 0.000 2.259 381 F HA -0.030 4.497 4.527 -0.001 0.000 0.298 381 F C 2.300 178.173 175.800 0.122 0.000 1.088 381 F CA 1.171 59.232 58.000 0.101 0.000 1.358 381 F CB -0.557 38.533 39.000 0.149 0.000 1.040 381 F HN -0.076 nan 8.300 nan 0.000 0.505 382 R N 0.219 120.879 120.500 0.267 0.000 2.293 382 R HA -0.104 4.236 4.340 -0.001 0.000 0.219 382 R C 1.797 178.116 176.300 0.033 0.000 1.091 382 R CA 0.737 56.933 56.100 0.161 0.000 1.004 382 R CB -0.545 29.819 30.300 0.107 0.000 0.865 382 R HN 0.376 nan 8.270 nan 0.000 0.469 383 L N -0.695 120.468 121.223 -0.100 0.000 2.341 383 L HA 0.001 4.340 4.340 -0.001 0.000 0.214 383 L C 0.383 177.133 176.870 -0.201 0.000 1.115 383 L CA 0.167 54.871 54.840 -0.225 0.000 0.820 383 L CB -0.134 41.632 42.059 -0.489 0.000 0.944 383 L HN 0.025 nan 8.230 nan 0.000 0.452 384 Y N 0.515 120.705 120.300 -0.183 0.000 2.480 384 Y HA -0.115 4.435 4.550 -0.001 0.000 0.338 384 Y C 1.698 177.563 175.900 -0.059 0.000 1.220 384 Y CA 0.237 58.261 58.100 -0.128 0.000 1.430 384 Y CB 0.449 38.836 38.460 -0.122 0.000 1.311 384 Y HN 0.006 nan 8.280 nan 0.000 0.575 385 E N 1.714 121.976 120.200 0.104 0.000 2.072 385 E HA -0.111 4.239 4.350 -0.001 0.000 0.191 385 E C -0.415 176.227 176.600 0.070 0.000 0.985 385 E CA 1.093 57.539 56.400 0.077 0.000 0.801 385 E CB 0.222 29.984 29.700 0.103 0.000 0.750 385 E HN 0.543 nan 8.360 nan 0.000 0.452 386 K N 0.340 120.785 120.400 0.076 0.000 2.378 386 K HA 0.454 4.774 4.320 -0.001 0.000 0.252 386 K C -1.484 175.176 176.600 0.099 0.000 0.931 386 K CA -0.840 55.492 56.287 0.075 0.000 0.794 386 K CB 2.341 34.848 32.500 0.011 0.000 1.181 386 K HN -0.012 nan 8.250 nan 0.000 0.425 387 L N 1.606 122.853 121.223 0.039 0.000 2.455 387 L HA 0.798 5.138 4.340 -0.001 0.000 0.264 387 L C -1.874 174.933 176.870 -0.104 0.000 0.968 387 L CA -0.120 54.650 54.840 -0.116 0.000 0.827 387 L CB 2.089 44.093 42.059 -0.092 0.000 1.317 387 L HN 0.854 nan 8.230 nan 0.000 0.407 388 A N 2.446 125.134 122.820 -0.220 0.000 2.601 388 A HA 0.980 5.299 4.320 -0.001 0.000 0.291 388 A C -0.845 176.565 177.584 -0.290 0.000 1.075 388 A CA 0.001 51.928 52.037 -0.183 0.000 0.671 388 A CB 1.395 20.388 19.000 -0.013 0.000 1.277 388 A HN 1.364 nan 8.150 nan 0.000 0.417 389 G N -0.481 108.162 108.800 -0.262 0.000 2.608 389 G HA2 0.621 4.581 3.960 -0.001 0.000 0.291 389 G HA3 0.621 4.581 3.960 -0.001 0.000 0.291 389 G C -1.387 173.378 174.900 -0.226 0.000 1.425 389 G CA -0.655 44.280 45.100 -0.274 0.000 0.787 389 G HN 0.709 nan 8.290 nan 0.000 0.484 390 M N 0.504 119.992 119.600 -0.187 0.000 2.465 390 M HA 0.688 5.168 4.480 -0.001 0.000 0.316 390 M C -0.356 175.869 176.300 -0.126 0.000 1.121 390 M CA -0.654 54.565 55.300 -0.135 0.000 0.934 390 M CB 2.697 35.249 32.600 -0.079 0.000 1.692 390 M HN 0.629 nan 8.290 nan 0.000 0.444 391 T N 0.502 114.994 114.554 -0.102 0.000 2.792 391 T HA 0.674 5.024 4.350 -0.001 0.000 0.303 391 T C -0.572 174.114 174.700 -0.024 0.000 1.310 391 T CA -0.454 61.616 62.100 -0.051 0.000 1.007 391 T CB 1.740 70.592 68.868 -0.027 0.000 1.335 391 T HN 0.855 nan 8.240 nan 0.000 0.504 392 G N 0.508 109.308 108.800 0.000 0.000 2.572 392 G HA2 0.407 4.366 3.960 -0.001 0.000 0.261 392 G HA3 0.407 4.366 3.960 -0.001 0.000 0.261 392 G C 1.034 175.947 174.900 0.021 0.000 1.197 392 G CA -0.002 45.106 45.100 0.012 0.000 0.870 392 G HN 0.800 nan 8.290 nan 0.000 0.548 393 T N 0.964 115.534 114.554 0.025 0.000 3.139 393 T HA 0.045 4.395 4.350 -0.001 0.000 0.267 393 T C 2.446 177.169 174.700 0.040 0.000 1.164 393 T CA 0.979 63.097 62.100 0.030 0.000 1.075 393 T CB -0.387 68.500 68.868 0.030 0.000 0.904 393 T HN 0.842 nan 8.240 nan 0.000 0.540 394 A N 2.622 125.466 122.820 0.041 0.000 2.654 394 A HA -0.390 3.930 4.320 -0.001 0.000 0.228 394 A C 1.699 179.323 177.584 0.067 0.000 1.418 394 A CA 3.180 55.245 52.037 0.047 0.000 1.034 394 A CB -1.642 17.384 19.000 0.042 0.000 0.682 394 A HN 0.744 nan 8.150 nan 0.000 0.524 395 D N -3.309 117.146 120.400 0.093 0.000 4.581 395 D HA -0.439 4.201 4.640 -0.001 0.000 0.261 395 D C 1.035 177.411 176.300 0.128 0.000 0.490 395 D CA 5.020 59.118 54.000 0.164 0.000 1.265 395 D CB -1.755 39.134 40.800 0.149 0.000 0.776 395 D HN 2.124 nan 8.370 nan 0.000 0.351 396 T N -3.367 111.251 114.554 0.107 0.000 8.232 396 T HA -0.407 3.943 4.350 -0.001 0.000 0.398 396 T C 0.493 175.307 174.700 0.190 0.000 1.441 396 T CA 2.384 64.553 62.100 0.115 0.000 2.469 396 T CB -1.957 66.959 68.868 0.079 0.000 2.967 396 T HN 0.848 nan 8.240 nan 0.000 1.302 397 E N -0.123 120.155 120.200 0.130 0.000 3.646 397 E HA 0.709 5.059 4.350 -0.001 0.000 0.211 397 E C 1.621 178.163 176.600 -0.097 0.000 1.034 397 E CA 0.184 56.532 56.400 -0.088 0.000 1.341 397 E CB 0.475 29.930 29.700 -0.409 0.000 1.202 397 E HN 0.519 nan 8.360 nan 0.000 0.447 398 A N 0.995 123.975 122.820 0.267 0.000 1.877 398 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 398 A C 1.885 179.595 177.584 0.210 0.000 1.186 398 A CA 1.440 53.673 52.037 0.327 0.000 0.620 398 A CB -0.708 18.439 19.000 0.246 0.000 0.822 398 A HN 0.530 nan 8.150 nan 0.000 0.443 399 F N 0.784 120.712 119.950 -0.036 0.000 2.216 399 F HA -0.070 4.456 4.527 -0.001 0.000 0.300 399 F C 1.685 177.345 175.800 -0.233 0.000 1.085 399 F CA 1.363 59.310 58.000 -0.089 0.000 1.326 399 F CB -1.112 37.832 39.000 -0.093 0.000 1.027 399 F HN 0.327 nan 8.300 nan 0.000 0.497 400 E N 0.125 119.495 120.200 -1.383 0.000 2.072 400 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 400 E C 2.022 178.284 176.600 -0.564 0.000 0.985 400 E CA 1.417 56.966 56.400 -1.418 0.000 0.801 400 E CB -0.487 28.167 29.700 -1.743 0.000 0.750 400 E HN 0.396 nan 8.360 nan 0.000 0.452 401 F N 1.022 120.819 119.950 -0.254 0.000 2.126 401 F HA -0.239 4.287 4.527 -0.001 0.000 0.299 401 F C 2.765 178.596 175.800 0.053 0.000 1.096 401 F CA 1.237 59.224 58.000 -0.020 0.000 1.255 401 F CB -0.723 38.249 39.000 -0.048 0.000 0.997 401 F HN -0.046 nan 8.300 nan 0.000 0.479 402 S N -1.006 114.806 115.700 0.186 0.000 2.355 402 S HA -0.197 4.273 4.470 -0.001 0.000 0.222 402 S C 2.449 177.114 174.600 0.109 0.000 1.031 402 S CA 1.396 59.681 58.200 0.141 0.000 0.993 402 S CB -0.695 62.577 63.200 0.119 0.000 0.859 402 S HN 0.391 nan 8.310 nan 0.000 0.453 403 S N 0.946 116.690 115.700 0.072 0.000 2.353 403 S HA -0.062 4.408 4.470 -0.001 0.000 0.222 403 S C 1.814 176.458 174.600 0.073 0.000 1.035 403 S CA 1.632 59.898 58.200 0.109 0.000 1.025 403 S CB -0.589 62.744 63.200 0.222 0.000 0.902 403 S HN 0.582 nan 8.310 nan 0.000 0.440 404 I N -1.137 119.447 120.570 0.022 0.000 2.439 404 I HA -0.044 4.125 4.170 -0.001 0.000 0.251 404 I C 1.281 177.178 176.117 -0.367 0.000 1.139 404 I CA 1.148 62.338 61.300 -0.183 0.000 1.438 404 I CB -0.105 37.714 38.000 -0.302 0.000 1.085 404 I HN 0.373 nan 8.210 nan 0.000 0.427 405 Y N -0.698 119.655 120.300 0.089 0.000 2.476 405 Y HA 0.191 4.741 4.550 -0.001 0.000 0.261 405 Y C 0.364 176.306 175.900 0.070 0.000 1.077 405 Y CA -0.912 57.242 58.100 0.090 0.000 1.240 405 Y CB 0.528 39.054 38.460 0.110 0.000 1.317 405 Y HN -0.158 nan 8.280 nan 0.000 0.540 406 K N 0.655 121.166 120.400 0.185 0.000 3.071 406 K HA -0.197 4.123 4.320 -0.001 0.000 0.262 406 K C -0.801 175.873 176.600 0.122 0.000 0.977 406 K CA 0.579 56.944 56.287 0.131 0.000 0.721 406 K CB -2.276 30.278 32.500 0.090 0.000 1.293 406 K HN 0.409 nan 8.250 nan 0.000 0.475 407 L N 1.460 122.775 121.223 0.153 0.000 2.264 407 L HA 0.207 4.547 4.340 -0.001 0.000 0.289 407 L C 0.669 177.573 176.870 0.057 0.000 1.044 407 L CA -0.666 54.216 54.840 0.070 0.000 0.807 407 L CB 0.881 42.957 42.059 0.028 0.000 1.192 407 L HN -0.017 nan 8.230 nan 0.000 0.425 408 D N 1.248 121.659 120.400 0.017 0.000 2.372 408 D HA 0.171 4.811 4.640 -0.001 0.000 0.243 408 D C 0.288 176.559 176.300 -0.048 0.000 1.121 408 D CA 0.117 54.123 54.000 0.009 0.000 0.898 408 D CB 1.573 42.377 40.800 0.007 0.000 1.202 408 D HN 0.420 nan 8.370 nan 0.000 0.428 409 T N -1.111 113.423 114.554 -0.033 0.000 2.888 409 T HA 0.594 4.944 4.350 -0.001 0.000 0.284 409 T C -0.806 173.872 174.700 -0.037 0.000 1.017 409 T CA -0.619 61.433 62.100 -0.080 0.000 1.022 409 T CB 0.972 69.782 68.868 -0.096 0.000 1.013 409 T HN 0.029 nan 8.240 nan 0.000 0.465 410 V N 4.299 124.184 119.914 -0.048 0.000 2.638 410 V HA 0.421 4.540 4.120 -0.001 0.000 0.306 410 V C -0.256 175.829 176.094 -0.016 0.000 1.052 410 V CA -0.942 61.346 62.300 -0.020 0.000 0.885 410 V CB 2.197 34.011 31.823 -0.016 0.000 0.999 410 V HN 0.917 nan 8.190 nan 0.000 0.424 411 V N 5.445 125.359 119.914 0.000 0.000 2.405 411 V HA 0.230 4.349 4.120 -0.001 0.000 0.264 411 V C 0.174 176.275 176.094 0.012 0.000 1.048 411 V CA -0.387 61.917 62.300 0.007 0.000 0.966 411 V CB 1.102 32.934 31.823 0.014 0.000 1.015 411 V HN 0.597 nan 8.190 nan 0.000 0.477 412 V N 8.472 128.395 119.914 0.014 0.000 2.432 412 V HA 0.262 4.382 4.120 -0.001 0.000 0.271 412 V C -1.537 174.574 176.094 0.028 0.000 1.046 412 V CA -1.582 60.734 62.300 0.026 0.000 0.945 412 V CB 1.022 32.864 31.823 0.033 0.000 0.992 412 V HN 0.757 nan 8.190 nan 0.000 0.471 413 P HA 0.075 nan 4.420 nan 0.000 0.266 413 P C 0.119 177.437 177.300 0.030 0.000 1.193 413 P CA 0.038 63.153 63.100 0.026 0.000 0.770 413 P CB 0.251 31.966 31.700 0.024 0.000 0.836 414 T N -0.898 113.668 114.554 0.021 0.000 2.899 414 T HA 0.061 4.410 4.350 -0.001 0.000 0.295 414 T C 1.264 175.962 174.700 -0.003 0.000 1.033 414 T CA -0.455 61.656 62.100 0.017 0.000 1.084 414 T CB 0.464 69.339 68.868 0.011 0.000 0.979 414 T HN 0.333 nan 8.240 nan 0.000 0.532 415 N N 1.184 119.868 118.700 -0.026 0.000 2.058 415 N HA -0.128 4.611 4.740 -0.001 0.000 0.191 415 N C 0.398 175.837 175.510 -0.118 0.000 1.037 415 N CA 1.230 54.212 53.050 -0.113 0.000 0.848 415 N CB -0.053 38.273 38.487 -0.268 0.000 1.021 415 N HN 0.473 nan 8.380 nan 0.000 0.422 416 R N 0.233 120.676 120.500 -0.094 0.000 2.643 416 R HA 0.427 4.767 4.340 -0.001 0.000 0.272 416 R C -2.355 173.928 176.300 -0.029 0.000 0.995 416 R CA -2.153 53.909 56.100 -0.064 0.000 1.032 416 R CB -0.403 29.864 30.300 -0.055 0.000 1.126 416 R HN 0.138 nan 8.270 nan 0.000 0.505 417 P HA 0.072 nan 4.420 nan 0.000 0.266 417 P C -0.232 177.068 177.300 -0.000 0.000 1.195 417 P CA 0.193 63.289 63.100 -0.007 0.000 0.768 417 P CB 0.473 32.169 31.700 -0.006 0.000 0.838 418 M N 4.203 123.807 119.600 0.006 0.000 2.120 418 M HA 0.187 4.667 4.480 -0.001 0.000 0.354 418 M C 0.911 177.219 176.300 0.014 0.000 1.287 418 M CA 0.147 55.455 55.300 0.013 0.000 1.103 418 M CB 0.051 32.662 32.600 0.018 0.000 1.623 418 M HN 0.373 nan 8.290 nan 0.000 0.471 419 I N -0.024 120.555 120.570 0.014 0.000 4.225 419 I HA 0.344 4.514 4.170 -0.001 0.000 0.327 419 I C 0.677 176.805 176.117 0.019 0.000 1.422 419 I CA -0.538 60.770 61.300 0.013 0.000 1.150 419 I CB 0.136 38.140 38.000 0.006 0.000 1.192 419 I HN 0.549 nan 8.210 nan 0.000 0.440 420 R N 3.260 123.775 120.500 0.026 0.000 2.570 420 R HA 0.158 4.498 4.340 -0.001 0.000 0.277 420 R C -0.519 175.804 176.300 0.039 0.000 1.039 420 R CA 0.093 56.214 56.100 0.034 0.000 1.065 420 R CB 0.618 30.942 30.300 0.040 0.000 0.964 420 R HN 0.267 nan 8.270 nan 0.000 0.428 421 K N 3.714 124.141 120.400 0.046 0.000 2.263 421 K HA 0.112 4.432 4.320 -0.001 0.000 0.282 421 K C -1.129 175.510 176.600 0.066 0.000 1.089 421 K CA -0.423 55.893 56.287 0.048 0.000 0.907 421 K CB 0.961 33.487 32.500 0.043 0.000 1.148 421 K HN 0.459 nan 8.250 nan 0.000 0.470 422 D N 4.466 124.903 120.400 0.062 0.000 2.411 422 D HA 0.123 4.762 4.640 -0.001 0.000 0.225 422 D C 0.254 176.594 176.300 0.067 0.000 1.156 422 D CA -0.098 53.950 54.000 0.080 0.000 0.874 422 D CB 0.616 41.466 40.800 0.083 0.000 1.034 422 D HN 0.245 nan 8.370 nan 0.000 0.502 423 L N 2.714 123.981 121.223 0.073 0.000 2.456 423 L HA 0.329 4.668 4.340 -0.001 0.000 0.257 423 L C -1.877 175.007 176.870 0.023 0.000 1.162 423 L CA -1.791 53.074 54.840 0.042 0.000 0.808 423 L CB -0.028 42.060 42.059 0.049 0.000 1.136 423 L HN 0.021 nan 8.230 nan 0.000 0.466 424 P HA 0.035 nan 4.420 nan 0.000 0.269 424 P C -1.203 176.056 177.300 -0.069 0.000 1.209 424 P CA -0.250 62.822 63.100 -0.046 0.000 0.776 424 P CB 0.360 32.015 31.700 -0.076 0.000 0.876 425 D N 1.363 121.719 120.400 -0.073 0.000 2.423 425 D HA 0.127 4.767 4.640 -0.001 0.000 0.238 425 D C -0.026 176.177 176.300 -0.163 0.000 1.142 425 D CA 0.612 54.560 54.000 -0.085 0.000 0.884 425 D CB 0.164 40.921 40.800 -0.072 0.000 1.199 425 D HN 0.178 nan 8.370 nan 0.000 0.438 426 L N 1.423 122.524 121.223 -0.204 0.000 2.341 426 L HA 0.508 4.847 4.340 -0.001 0.000 0.278 426 L C -0.705 176.060 176.870 -0.175 0.000 1.005 426 L CA -0.969 53.733 54.840 -0.230 0.000 0.818 426 L CB 1.871 43.797 42.059 -0.222 0.000 1.259 426 L HN 0.021 nan 8.230 nan 0.000 0.418 427 V N 2.555 122.262 119.914 -0.346 0.000 2.540 427 V HA 0.490 4.610 4.120 -0.001 0.000 0.302 427 V C -1.047 174.730 176.094 -0.529 0.000 1.035 427 V CA -0.753 61.401 62.300 -0.243 0.000 0.873 427 V CB 1.697 33.422 31.823 -0.163 0.000 0.992 427 V HN 0.436 nan 8.190 nan 0.000 0.428 428 Y N 2.337 122.667 120.300 0.050 0.000 2.562 428 Y HA 0.477 5.026 4.550 -0.000 0.000 0.343 428 Y C 1.247 177.172 175.900 0.042 0.000 1.025 428 Y CA -1.102 57.030 58.100 0.053 0.000 1.082 428 Y CB 1.832 40.335 38.460 0.072 0.000 1.264 428 Y HN 0.417 nan 8.280 nan 0.000 0.478 429 M N 0.309 120.007 119.600 0.163 0.000 2.065 429 M HA -0.072 4.407 4.480 -0.001 0.000 0.259 429 M C 0.625 176.991 176.300 0.110 0.000 1.069 429 M CA 1.672 57.035 55.300 0.106 0.000 1.110 429 M CB -1.036 31.616 32.600 0.086 0.000 1.328 429 M HN 0.825 nan 8.290 nan 0.000 0.405 430 T N -3.291 111.338 114.554 0.126 0.000 2.924 430 T HA 0.315 4.664 4.350 -0.001 0.000 0.291 430 T C 0.875 175.623 174.700 0.081 0.000 1.045 430 T CA -0.888 61.264 62.100 0.087 0.000 1.015 430 T CB 2.564 71.466 68.868 0.056 0.000 1.103 430 T HN 0.074 nan 8.240 nan 0.000 0.496 431 E N 0.836 121.066 120.200 0.049 0.000 2.086 431 E HA -0.258 4.091 4.350 -0.001 0.000 0.200 431 E C 2.347 178.934 176.600 -0.022 0.000 1.012 431 E CA 1.936 58.346 56.400 0.017 0.000 0.812 431 E CB -0.646 29.058 29.700 0.007 0.000 0.743 431 E HN 0.834 nan 8.360 nan 0.000 0.453 432 A N 1.048 123.858 122.820 -0.015 0.000 1.902 432 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 432 A C 1.986 179.529 177.584 -0.069 0.000 1.181 432 A CA 1.816 53.830 52.037 -0.037 0.000 0.623 432 A CB -0.432 18.558 19.000 -0.016 0.000 0.818 432 A HN 0.262 nan 8.150 nan 0.000 0.443 433 E N -0.488 119.684 120.200 -0.047 0.000 2.112 433 E HA -0.133 4.216 4.350 -0.001 0.000 0.190 433 E C 2.021 178.406 176.600 -0.360 0.000 0.979 433 E CA 1.066 57.410 56.400 -0.093 0.000 0.814 433 E CB -0.118 29.621 29.700 0.065 0.000 0.762 433 E HN 0.679 nan 8.360 nan 0.000 0.460 434 K N 1.112 121.322 120.400 -0.317 0.000 2.001 434 K HA -0.205 4.115 4.320 -0.001 0.000 0.214 434 K C 2.045 178.397 176.600 -0.413 0.000 1.050 434 K CA 1.494 57.510 56.287 -0.452 0.000 0.934 434 K CB -0.068 32.403 32.500 -0.048 0.000 0.718 434 K HN -0.005 nan 8.250 nan 0.000 0.443 435 I N 1.662 122.080 120.570 -0.253 0.000 2.194 435 I HA -0.286 3.883 4.170 -0.001 0.000 0.246 435 I C 2.481 178.449 176.117 -0.249 0.000 1.093 435 I CA 1.471 62.630 61.300 -0.235 0.000 1.355 435 I CB -1.400 36.510 38.000 -0.150 0.000 1.046 435 I HN 0.391 nan 8.210 nan 0.000 0.413 436 Q N 0.430 120.096 119.800 -0.223 0.000 2.084 436 Q HA -0.077 4.263 4.340 -0.001 0.000 0.202 436 Q C 2.439 178.323 176.000 -0.194 0.000 0.978 436 Q CA 1.841 57.539 55.803 -0.175 0.000 0.844 436 Q CB -0.519 28.146 28.738 -0.122 0.000 0.898 436 Q HN 0.558 nan 8.270 nan 0.000 0.426 437 A N 0.629 123.273 122.820 -0.293 0.000 1.902 437 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 437 A C 2.218 179.661 177.584 -0.234 0.000 1.181 437 A CA 1.159 53.067 52.037 -0.214 0.000 0.623 437 A CB -0.696 18.120 19.000 -0.307 0.000 0.818 437 A HN 0.320 nan 8.150 nan 0.000 0.443 438 I N 0.166 120.440 120.570 -0.494 0.000 2.099 438 I HA -0.275 3.894 4.170 -0.001 0.000 0.239 438 I C 2.247 178.201 176.117 -0.272 0.000 1.066 438 I CA 1.171 62.114 61.300 -0.594 0.000 1.324 438 I CB -0.327 37.286 38.000 -0.644 0.000 1.037 438 I HN 0.263 nan 8.210 nan 0.000 0.401 439 I N 0.373 120.810 120.570 -0.222 0.000 2.151 439 I HA -0.299 3.870 4.170 -0.001 0.000 0.243 439 I C 2.555 178.616 176.117 -0.094 0.000 1.080 439 I CA 1.665 62.880 61.300 -0.141 0.000 1.339 439 I CB -1.528 36.399 38.000 -0.122 0.000 1.039 439 I HN 0.323 nan 8.210 nan 0.000 0.409 440 E N 0.551 120.701 120.200 -0.085 0.000 2.153 440 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 440 E C 1.840 178.425 176.600 -0.025 0.000 0.988 440 E CA 1.167 57.541 56.400 -0.043 0.000 0.811 440 E CB -0.327 29.358 29.700 -0.025 0.000 0.746 440 E HN 0.460 nan 8.360 nan 0.000 0.466 441 D N 0.366 120.756 120.400 -0.017 0.000 2.084 441 D HA -0.098 4.542 4.640 -0.001 0.000 0.196 441 D C 2.110 178.400 176.300 -0.016 0.000 0.985 441 D CA 0.793 54.800 54.000 0.011 0.000 0.826 441 D CB -0.226 40.637 40.800 0.104 0.000 0.978 441 D HN 0.136 nan 8.370 nan 0.000 0.456 442 I N 0.286 120.846 120.570 -0.017 0.000 2.151 442 I HA -0.315 3.855 4.170 -0.001 0.000 0.243 442 I C 2.495 178.603 176.117 -0.015 0.000 1.080 442 I CA 1.449 62.743 61.300 -0.010 0.000 1.339 442 I CB -0.369 37.611 38.000 -0.034 0.000 1.039 442 I HN 0.077 nan 8.210 nan 0.000 0.409 443 K N 1.433 121.818 120.400 -0.024 0.000 2.057 443 K HA -0.209 4.111 4.320 -0.001 0.000 0.207 443 K C 1.908 178.497 176.600 -0.018 0.000 1.049 443 K CA 1.708 57.984 56.287 -0.018 0.000 0.931 443 K CB -0.063 32.424 32.500 -0.021 0.000 0.714 443 K HN 0.411 nan 8.250 nan 0.000 0.440 444 E N 0.164 120.349 120.200 -0.026 0.000 2.072 444 E HA -0.153 4.196 4.350 -0.001 0.000 0.190 444 E C 2.283 178.860 176.600 -0.039 0.000 0.982 444 E CA 0.897 57.279 56.400 -0.030 0.000 0.803 444 E CB -0.104 29.575 29.700 -0.036 0.000 0.755 444 E HN 0.324 nan 8.360 nan 0.000 0.453 445 R N 0.777 121.247 120.500 -0.050 0.000 2.062 445 R HA -0.069 4.271 4.340 -0.001 0.000 0.229 445 R C 2.819 179.104 176.300 -0.025 0.000 1.128 445 R CA 1.864 57.930 56.100 -0.056 0.000 0.960 445 R CB -0.643 29.604 30.300 -0.089 0.000 0.855 445 R HN 0.283 nan 8.270 nan 0.000 0.432 446 T N -0.558 113.993 114.554 -0.006 0.000 2.803 446 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 446 T C 2.081 176.782 174.700 0.002 0.000 1.052 446 T CA 1.247 63.352 62.100 0.008 0.000 1.136 446 T CB -0.309 68.572 68.868 0.023 0.000 0.864 446 T HN 0.262 nan 8.240 nan 0.000 0.467 447 A N 1.896 124.712 122.820 -0.006 0.000 2.070 447 A HA -0.001 4.319 4.320 -0.001 0.000 0.220 447 A C 2.292 179.867 177.584 -0.015 0.000 1.159 447 A CA 1.193 53.225 52.037 -0.008 0.000 0.656 447 A CB -0.473 18.520 19.000 -0.011 0.000 0.800 447 A HN 0.604 nan 8.150 nan 0.000 0.453 448 K N -1.583 118.804 120.400 -0.022 0.000 2.444 448 K HA 0.222 4.541 4.320 -0.001 0.000 0.193 448 K C 0.988 177.568 176.600 -0.032 0.000 1.024 448 K CA 0.471 56.740 56.287 -0.030 0.000 1.077 448 K CB 0.071 32.548 32.500 -0.039 0.000 0.833 448 K HN 0.626 nan 8.250 nan 0.000 0.517 449 G N 2.312 111.098 108.800 -0.023 0.000 2.141 449 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.242 449 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.242 449 G C -0.166 174.716 174.900 -0.030 0.000 0.982 449 G CA 0.038 45.122 45.100 -0.026 0.000 0.662 449 G HN 0.415 nan 8.290 nan 0.000 0.527 450 Q N 1.161 120.949 119.800 -0.021 0.000 2.267 450 Q HA 0.522 4.862 4.340 -0.001 0.000 0.255 450 Q C -2.162 173.850 176.000 0.020 0.000 0.923 450 Q CA -1.978 53.818 55.803 -0.013 0.000 0.925 450 Q CB 1.757 30.483 28.738 -0.020 0.000 1.195 450 Q HN 0.305 nan 8.270 nan 0.000 0.417 451 P HA 0.175 nan 4.420 nan 0.000 0.279 451 P C -1.161 176.185 177.300 0.077 0.000 1.252 451 P CA -0.358 62.778 63.100 0.060 0.000 0.811 451 P CB 1.366 33.105 31.700 0.065 0.000 1.035 452 V N 2.476 122.435 119.914 0.075 0.000 2.709 452 V HA 0.359 4.479 4.120 -0.001 0.000 0.308 452 V C -0.258 175.855 176.094 0.032 0.000 1.062 452 V CA -0.757 61.587 62.300 0.073 0.000 0.901 452 V CB 1.871 33.749 31.823 0.092 0.000 1.003 452 V HN 0.413 nan 8.190 nan 0.000 0.425 453 L N 5.776 126.993 121.223 -0.009 0.000 2.325 453 L HA 0.748 5.088 4.340 -0.001 0.000 0.281 453 L C -0.680 176.146 176.870 -0.073 0.000 1.004 453 L CA -0.070 54.754 54.840 -0.026 0.000 0.823 453 L CB 1.734 43.780 42.059 -0.022 0.000 1.236 453 L HN 0.462 nan 8.230 nan 0.000 0.415 454 V N 4.705 124.583 119.914 -0.060 0.000 2.370 454 V HA 0.731 4.851 4.120 -0.001 0.000 0.283 454 V C 0.717 176.776 176.094 -0.059 0.000 1.023 454 V CA -0.336 61.912 62.300 -0.086 0.000 0.857 454 V CB 1.138 32.908 31.823 -0.089 0.000 0.985 454 V HN 0.908 nan 8.190 nan 0.000 0.443 455 G N 2.857 111.617 108.800 -0.066 0.000 2.343 455 G HA2 0.655 4.615 3.960 -0.001 0.000 0.319 455 G HA3 0.655 4.615 3.960 -0.001 0.000 0.319 455 G C -0.116 174.786 174.900 0.003 0.000 1.126 455 G CA -0.143 44.952 45.100 -0.008 0.000 0.889 455 G HN 0.807 nan 8.290 nan 0.000 0.457 456 T N 0.069 114.639 114.554 0.027 0.000 2.907 456 T HA 0.482 4.831 4.350 -0.001 0.000 0.290 456 T C 1.170 175.893 174.700 0.039 0.000 1.066 456 T CA -0.759 61.348 62.100 0.012 0.000 1.012 456 T CB 1.665 70.533 68.868 -0.001 0.000 1.184 456 T HN 0.659 nan 8.240 nan 0.000 0.522 457 I N -0.421 120.146 120.570 -0.004 0.000 3.728 457 I HA 0.291 4.461 4.170 -0.001 0.000 0.307 457 I C 0.207 176.361 176.117 0.062 0.000 1.276 457 I CA 0.027 61.340 61.300 0.022 0.000 1.285 457 I CB -1.138 36.782 38.000 -0.133 0.000 1.038 457 I HN 0.795 nan 8.210 nan 0.000 0.445 458 S N -0.572 115.151 115.700 0.038 0.000 2.596 458 S HA 0.512 4.981 4.470 -0.001 0.000 0.270 458 S C 0.543 175.162 174.600 0.032 0.000 1.155 458 S CA -0.690 57.534 58.200 0.040 0.000 0.827 458 S CB 1.195 64.413 63.200 0.031 0.000 1.130 458 S HN 0.068 nan 8.310 nan 0.000 0.467 459 I N 1.369 121.960 120.570 0.034 0.000 2.151 459 I HA -0.235 3.934 4.170 -0.001 0.000 0.243 459 I C 2.374 178.507 176.117 0.026 0.000 1.080 459 I CA 1.919 63.239 61.300 0.034 0.000 1.339 459 I CB -0.505 37.516 38.000 0.035 0.000 1.039 459 I HN 0.764 nan 8.210 nan 0.000 0.409 460 E N 0.789 121.002 120.200 0.021 0.000 2.085 460 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 460 E C 2.078 178.682 176.600 0.007 0.000 0.994 460 E CA 1.031 57.440 56.400 0.015 0.000 0.801 460 E CB -0.201 29.507 29.700 0.014 0.000 0.743 460 E HN 0.306 nan 8.360 nan 0.000 0.453 461 K N 0.457 120.860 120.400 0.005 0.000 2.062 461 K HA 0.086 4.406 4.320 -0.001 0.000 0.205 461 K C 2.352 178.944 176.600 -0.014 0.000 1.051 461 K CA 0.874 57.156 56.287 -0.007 0.000 0.941 461 K CB -0.430 32.065 32.500 -0.008 0.000 0.719 461 K HN 0.024 nan 8.250 nan 0.000 0.440 462 S N 1.678 117.378 115.700 -0.001 0.000 2.370 462 S HA -0.160 4.309 4.470 -0.001 0.000 0.226 462 S C 1.857 176.458 174.600 0.002 0.000 1.033 462 S CA 1.404 59.604 58.200 0.001 0.000 1.011 462 S CB -0.156 63.057 63.200 0.022 0.000 0.852 462 S HN 0.390 nan 8.310 nan 0.000 0.457 463 E N 0.415 120.622 120.200 0.013 0.000 2.110 463 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 463 E C 2.067 178.667 176.600 -0.001 0.000 0.988 463 E CA 0.947 57.357 56.400 0.018 0.000 0.804 463 E CB -0.195 29.518 29.700 0.022 0.000 0.745 463 E HN 0.297 nan 8.360 nan 0.000 0.458 464 L N 0.462 121.676 121.223 -0.015 0.000 2.044 464 L HA -0.085 4.255 4.340 -0.001 0.000 0.205 464 L C 2.278 179.115 176.870 -0.055 0.000 1.075 464 L CA 1.320 56.144 54.840 -0.028 0.000 0.747 464 L CB -0.548 41.494 42.059 -0.028 0.000 0.903 464 L HN 0.048 nan 8.230 nan 0.000 0.435 465 V N -1.358 118.510 119.914 -0.077 0.000 2.358 465 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 465 V C 2.610 178.599 176.094 -0.175 0.000 1.047 465 V CA 2.097 64.321 62.300 -0.127 0.000 1.035 465 V CB -0.299 31.436 31.823 -0.147 0.000 0.658 465 V HN 0.728 nan 8.190 nan 0.000 0.452 466 S N 0.944 116.548 115.700 -0.160 0.000 2.389 466 S HA -0.319 4.151 4.470 -0.001 0.000 0.229 466 S C 1.852 176.432 174.600 -0.034 0.000 1.048 466 S CA 2.613 60.718 58.200 -0.159 0.000 1.117 466 S CB -0.765 62.489 63.200 0.090 0.000 1.020 466 S HN 0.804 nan 8.310 nan 0.000 0.430 467 N N 1.277 119.984 118.700 0.011 0.000 2.137 467 N HA -0.073 4.666 4.740 -0.001 0.000 0.190 467 N C 1.683 177.190 175.510 -0.006 0.000 1.017 467 N CA 1.244 54.307 53.050 0.022 0.000 0.859 467 N CB -0.515 37.979 38.487 0.011 0.000 1.002 467 N HN 0.484 nan 8.380 nan 0.000 0.428 468 E N 0.370 120.541 120.200 -0.048 0.000 2.152 468 E HA 0.026 4.375 4.350 -0.001 0.000 0.192 468 E C 2.132 178.693 176.600 -0.065 0.000 0.983 468 E CA 0.152 56.518 56.400 -0.058 0.000 0.818 468 E CB -0.108 29.544 29.700 -0.081 0.000 0.758 468 E HN 0.390 nan 8.360 nan 0.000 0.467 469 L N 0.529 121.685 121.223 -0.112 0.000 2.093 469 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 469 L C 2.429 179.315 176.870 0.026 0.000 1.085 469 L CA 1.260 56.034 54.840 -0.110 0.000 0.755 469 L CB -0.436 41.413 42.059 -0.348 0.000 0.904 469 L HN 0.103 nan 8.230 nan 0.000 0.435 470 T N -0.756 113.858 114.554 0.100 0.000 2.737 470 T HA -0.237 4.112 4.350 -0.001 0.000 0.265 470 T C 1.882 176.611 174.700 0.047 0.000 1.038 470 T CA 1.341 63.514 62.100 0.121 0.000 1.144 470 T CB -0.118 68.832 68.868 0.137 0.000 0.866 470 T HN 0.234 nan 8.240 nan 0.000 0.434 471 K N 1.174 121.588 120.400 0.023 0.000 2.160 471 K HA -0.073 4.247 4.320 -0.001 0.000 0.206 471 K C 2.036 178.637 176.600 0.002 0.000 1.047 471 K CA 1.372 57.662 56.287 0.006 0.000 0.930 471 K CB -0.210 32.286 32.500 -0.005 0.000 0.720 471 K HN 0.318 nan 8.250 nan 0.000 0.450 472 A N -0.226 122.593 122.820 -0.001 0.000 2.275 472 A HA 0.244 4.563 4.320 -0.001 0.000 0.212 472 A C 1.200 178.789 177.584 0.007 0.000 1.201 472 A CA 0.687 52.721 52.037 -0.005 0.000 0.843 472 A CB -0.050 18.937 19.000 -0.021 0.000 0.873 472 A HN 0.533 nan 8.150 nan 0.000 0.492 473 G N -0.689 108.124 108.800 0.022 0.000 2.132 473 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.228 473 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.228 473 G C -0.033 174.890 174.900 0.039 0.000 1.000 473 G CA 0.214 45.329 45.100 0.025 0.000 0.693 473 G HN 0.457 nan 8.290 nan 0.000 0.515 474 I N 1.272 121.881 120.570 0.064 0.000 2.307 474 I HA 0.261 4.431 4.170 -0.001 0.000 0.289 474 I C 0.760 176.981 176.117 0.175 0.000 1.021 474 I CA -0.697 60.654 61.300 0.085 0.000 1.224 474 I CB 1.026 39.056 38.000 0.050 0.000 1.376 474 I HN -0.013 nan 8.210 nan 0.000 0.470 475 K N 6.662 127.123 120.400 0.102 0.000 2.382 475 K HA 0.285 4.604 4.320 -0.001 0.000 0.275 475 K C -0.311 176.363 176.600 0.123 0.000 1.009 475 K CA -0.138 56.181 56.287 0.054 0.000 0.970 475 K CB 0.470 32.964 32.500 -0.011 0.000 0.934 475 K HN 0.663 nan 8.250 nan 0.000 0.479 476 H N -0.399 118.666 119.070 -0.009 0.000 2.932 476 H HA 0.307 4.863 4.556 -0.001 0.000 0.307 476 H C -1.485 173.837 175.328 -0.011 0.000 1.391 476 H CA -1.139 54.905 56.048 -0.006 0.000 1.130 476 H CB 0.892 30.649 29.762 -0.008 0.000 1.836 476 H HN 0.570 nan 8.280 nan 0.000 0.522 477 N N -0.017 118.734 118.700 0.085 0.000 2.296 477 N HA 0.429 5.168 4.740 -0.001 0.000 0.294 477 N C -1.069 174.526 175.510 0.143 0.000 1.033 477 N CA -0.732 52.343 53.050 0.041 0.000 0.839 477 N CB 3.141 41.633 38.487 0.007 0.000 1.395 477 N HN 0.307 nan 8.380 nan 0.000 0.479 478 V N 2.590 122.582 119.914 0.129 0.000 2.498 478 V HA 0.235 4.355 4.120 -0.001 0.000 0.279 478 V C 0.134 176.277 176.094 0.081 0.000 1.048 478 V CA -0.655 61.713 62.300 0.113 0.000 0.967 478 V CB 0.858 32.751 31.823 0.116 0.000 0.988 478 V HN 0.516 nan 8.190 nan 0.000 0.473 479 L N 5.033 126.300 121.223 0.074 0.000 2.342 479 L HA 0.281 4.620 4.340 -0.001 0.000 0.285 479 L C 0.551 177.480 176.870 0.097 0.000 1.095 479 L CA 0.025 54.910 54.840 0.075 0.000 0.843 479 L CB -0.025 42.067 42.059 0.055 0.000 1.201 479 L HN 0.584 nan 8.230 nan 0.000 0.445 480 N N 2.511 121.297 118.700 0.143 0.000 2.420 480 N HA 0.209 4.948 4.740 -0.001 0.000 0.249 480 N C 0.722 176.346 175.510 0.189 0.000 1.033 480 N CA -0.047 53.117 53.050 0.191 0.000 0.944 480 N CB 1.935 40.618 38.487 0.326 0.000 1.113 480 N HN 0.642 nan 8.380 nan 0.000 0.502 481 A N 4.480 127.369 122.820 0.116 0.000 2.125 481 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 481 A C 1.811 179.444 177.584 0.082 0.000 1.156 481 A CA 1.130 53.236 52.037 0.114 0.000 0.671 481 A CB -0.138 18.905 19.000 0.071 0.000 0.794 481 A HN 0.726 nan 8.150 nan 0.000 0.459 482 K N -1.558 118.790 120.400 -0.086 0.000 2.365 482 K HA 0.009 4.329 4.320 -0.001 0.000 0.199 482 K C -0.824 175.424 176.600 -0.588 0.000 1.045 482 K CA 0.565 56.579 56.287 -0.455 0.000 0.962 482 K CB -0.000 32.009 32.500 -0.818 0.000 0.759 482 K HN 0.512 nan 8.250 nan 0.000 0.469 483 F N 0.156 120.147 119.950 0.068 0.000 2.564 483 F HA 0.257 4.784 4.527 -0.000 0.000 0.361 483 F C 0.897 176.786 175.800 0.149 0.000 1.161 483 F CA -0.720 57.312 58.000 0.052 0.000 1.198 483 F CB 0.509 39.525 39.000 0.027 0.000 1.424 483 F HN -0.001 nan 8.300 nan 0.000 0.517 484 H N 0.707 119.840 119.070 0.106 0.000 2.389 484 H HA -0.087 4.469 4.556 -0.001 0.000 0.299 484 H C 2.067 177.425 175.328 0.050 0.000 1.081 484 H CA 0.920 56.999 56.048 0.052 0.000 1.345 484 H CB 0.549 30.318 29.762 0.012 0.000 1.393 484 H HN 0.649 nan 8.280 nan 0.000 0.520 485 A N 1.507 124.449 122.820 0.203 0.000 1.898 485 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 485 A C 2.061 179.693 177.584 0.081 0.000 1.181 485 A CA 1.427 53.529 52.037 0.108 0.000 0.620 485 A CB -0.229 18.821 19.000 0.084 0.000 0.819 485 A HN 0.365 nan 8.150 nan 0.000 0.442 486 N N 0.344 119.105 118.700 0.103 0.000 2.120 486 N HA -0.149 4.590 4.740 -0.001 0.000 0.188 486 N C 1.597 177.139 175.510 0.053 0.000 1.024 486 N CA 1.616 54.696 53.050 0.051 0.000 0.852 486 N CB -0.494 38.009 38.487 0.027 0.000 1.003 486 N HN 0.668 nan 8.380 nan 0.000 0.424 487 E N 0.616 120.870 120.200 0.090 0.000 2.058 487 E HA -0.115 4.235 4.350 -0.001 0.000 0.194 487 E C 1.912 178.527 176.600 0.024 0.000 0.997 487 E CA 1.282 57.718 56.400 0.060 0.000 0.801 487 E CB -0.145 29.589 29.700 0.058 0.000 0.746 487 E HN 0.387 nan 8.360 nan 0.000 0.450 488 A N 1.286 124.116 122.820 0.016 0.000 1.972 488 A HA -0.087 4.233 4.320 -0.001 0.000 0.219 488 A C 2.351 179.933 177.584 -0.005 0.000 1.169 488 A CA 1.546 53.580 52.037 -0.004 0.000 0.635 488 A CB -0.526 18.468 19.000 -0.011 0.000 0.810 488 A HN 0.298 nan 8.150 nan 0.000 0.446 489 A N 0.026 122.846 122.820 0.000 0.000 1.902 489 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 489 A C 2.104 179.684 177.584 -0.008 0.000 1.181 489 A CA 1.587 53.618 52.037 -0.010 0.000 0.623 489 A CB -0.546 18.446 19.000 -0.014 0.000 0.818 489 A HN 0.509 nan 8.150 nan 0.000 0.443 490 I N -0.760 119.811 120.570 0.001 0.000 2.233 490 I HA -0.166 4.003 4.170 -0.001 0.000 0.243 490 I C 2.312 178.440 176.117 0.019 0.000 1.093 490 I CA 0.909 62.213 61.300 0.006 0.000 1.380 490 I CB -0.328 37.680 38.000 0.014 0.000 1.067 490 I HN 0.128 nan 8.210 nan 0.000 0.413 491 V N 1.231 121.155 119.914 0.017 0.000 2.392 491 V HA -0.314 3.806 4.120 -0.001 0.000 0.249 491 V C 2.733 178.844 176.094 0.028 0.000 1.059 491 V CA 1.961 64.274 62.300 0.021 0.000 1.051 491 V CB -1.031 30.796 31.823 0.007 0.000 0.658 491 V HN 0.499 nan 8.190 nan 0.000 0.455 492 A N -0.656 122.174 122.820 0.016 0.000 1.908 492 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 492 A C 1.947 179.569 177.584 0.062 0.000 1.181 492 A CA 1.536 53.584 52.037 0.017 0.000 0.627 492 A CB -0.262 18.732 19.000 -0.010 0.000 0.818 492 A HN 0.555 nan 8.150 nan 0.000 0.445 493 Q N -1.064 118.776 119.800 0.067 0.000 2.188 493 Q HA 0.428 4.768 4.340 -0.001 0.000 0.212 493 Q C 1.511 177.602 176.000 0.152 0.000 0.846 493 Q CA 0.559 56.438 55.803 0.126 0.000 0.989 493 Q CB -0.170 28.597 28.738 0.048 0.000 1.114 493 Q HN 0.611 nan 8.270 nan 0.000 0.488 494 A N 0.450 123.336 122.820 0.111 0.000 2.076 494 A HA -0.044 4.275 4.320 -0.001 0.000 0.220 494 A C 1.879 179.538 177.584 0.125 0.000 1.160 494 A CA 1.657 53.755 52.037 0.101 0.000 0.653 494 A CB -0.356 18.686 19.000 0.070 0.000 0.801 494 A HN 0.397 nan 8.150 nan 0.000 0.455 495 G N -2.838 106.056 108.800 0.155 0.000 3.088 495 G HA2 0.268 4.228 3.960 -0.001 0.000 0.217 495 G HA3 0.268 4.228 3.960 -0.001 0.000 0.217 495 G C 0.237 175.223 174.900 0.142 0.000 1.159 495 G CA -0.286 44.898 45.100 0.139 0.000 0.760 495 G HN 0.413 nan 8.290 nan 0.000 0.550 496 Y N 1.789 122.137 120.300 0.080 0.000 2.497 496 Y HA 0.298 4.848 4.550 -0.001 0.000 0.334 496 Y C -1.885 174.038 175.900 0.037 0.000 1.199 496 Y CA -2.015 56.128 58.100 0.070 0.000 1.425 496 Y CB 0.791 39.294 38.460 0.072 0.000 1.291 496 Y HN -0.054 nan 8.280 nan 0.000 0.562 497 P HA -0.047 nan 4.420 nan 0.000 0.259 497 P C -0.196 177.157 177.300 0.088 0.000 1.163 497 P CA 2.088 65.130 63.100 -0.098 0.000 0.760 497 P CB 0.220 31.794 31.700 -0.210 0.000 0.762 498 A N 2.491 125.347 122.820 0.058 0.000 2.910 498 A HA -0.190 4.130 4.320 -0.001 0.000 0.267 498 A C 0.927 178.572 177.584 0.103 0.000 1.310 498 A CA 0.955 53.036 52.037 0.073 0.000 0.934 498 A CB -2.273 16.765 19.000 0.064 0.000 1.057 498 A HN 0.760 nan 8.150 nan 0.000 0.742 499 A N -0.662 122.240 122.820 0.138 0.000 2.498 499 A HA 0.503 4.823 4.320 -0.001 0.000 0.239 499 A C 0.286 177.927 177.584 0.094 0.000 1.068 499 A CA 0.896 53.010 52.037 0.129 0.000 0.766 499 A CB 0.331 19.427 19.000 0.159 0.000 1.003 499 A HN 1.484 nan 8.150 nan 0.000 0.497 500 V N 2.710 122.680 119.914 0.093 0.000 2.482 500 V HA 0.478 4.598 4.120 -0.001 0.000 0.295 500 V C -0.183 175.973 176.094 0.103 0.000 1.026 500 V CA -0.406 61.947 62.300 0.088 0.000 0.856 500 V CB 1.823 33.703 31.823 0.095 0.000 1.001 500 V HN 0.946 nan 8.190 nan 0.000 0.424 501 T N 6.080 120.675 114.554 0.068 0.000 2.812 501 T HA 0.624 4.974 4.350 -0.001 0.000 0.282 501 T C -0.519 174.203 174.700 0.035 0.000 0.990 501 T CA -0.384 61.754 62.100 0.062 0.000 0.960 501 T CB 1.335 70.233 68.868 0.049 0.000 0.948 501 T HN 0.311 nan 8.240 nan 0.000 0.438 502 I N 2.944 123.543 120.570 0.047 0.000 2.339 502 I HA 0.673 4.842 4.170 -0.001 0.000 0.290 502 I C 0.312 176.447 176.117 0.029 0.000 0.994 502 I CA -1.161 60.149 61.300 0.016 0.000 1.191 502 I CB 0.604 38.606 38.000 0.003 0.000 1.343 502 I HN 0.713 nan 8.210 nan 0.000 0.458 503 A N 4.775 127.606 122.820 0.019 0.000 2.374 503 A HA 0.824 5.143 4.320 -0.001 0.000 0.317 503 A C -0.212 177.394 177.584 0.037 0.000 1.094 503 A CA -0.470 51.585 52.037 0.030 0.000 0.765 503 A CB 1.164 20.180 19.000 0.026 0.000 1.268 503 A HN 0.628 nan 8.150 nan 0.000 0.438 504 T N 2.653 117.234 114.554 0.046 0.000 2.771 504 T HA 0.343 4.692 4.350 -0.001 0.000 0.281 504 T C -0.120 174.622 174.700 0.070 0.000 0.982 504 T CA -0.313 61.821 62.100 0.057 0.000 0.978 504 T CB 0.278 69.177 68.868 0.052 0.000 0.930 504 T HN 0.695 nan 8.240 nan 0.000 0.447 505 N N 2.719 121.485 118.700 0.110 0.000 2.689 505 N HA -0.160 4.580 4.740 -0.001 0.000 0.263 505 N C -0.030 175.521 175.510 0.067 0.000 0.987 505 N CA 0.450 53.578 53.050 0.130 0.000 0.782 505 N CB -0.788 37.766 38.487 0.111 0.000 0.903 505 N HN 0.686 nan 8.380 nan 0.000 0.547 506 M N 0.148 119.793 119.600 0.074 0.000 2.323 506 M HA -0.108 4.371 4.480 -0.001 0.000 0.386 506 M C 1.747 178.059 176.300 0.019 0.000 1.525 506 M CA 0.616 55.942 55.300 0.043 0.000 0.914 506 M CB 0.289 32.920 32.600 0.051 0.000 2.042 506 M HN 0.465 nan 8.290 nan 0.000 0.483 507 A N 4.787 127.609 122.820 0.004 0.000 2.603 507 A HA 0.364 4.684 4.320 -0.001 0.000 0.179 507 A C 0.858 178.435 177.584 -0.012 0.000 1.156 507 A CA 1.081 53.111 52.037 -0.011 0.000 0.871 507 A CB -0.643 18.348 19.000 -0.015 0.000 0.884 507 A HN 0.907 nan 8.150 nan 0.000 0.553 508 G N -2.403 106.393 108.800 -0.006 0.000 2.635 508 G HA2 0.534 4.494 3.960 -0.001 0.000 0.295 508 G HA3 0.534 4.494 3.960 -0.001 0.000 0.295 508 G C 0.146 175.047 174.900 0.003 0.000 1.359 508 G CA 0.748 45.847 45.100 -0.002 0.000 1.232 508 G HN 1.509 nan 8.290 nan 0.000 0.597 509 R N 1.794 122.300 120.500 0.010 0.000 1.656 509 R HA -0.166 4.174 4.340 -0.001 0.000 0.093 509 R C 1.104 177.411 176.300 0.011 0.000 0.929 509 R CA 1.655 57.763 56.100 0.012 0.000 1.941 509 R CB -2.031 28.275 30.300 0.009 0.000 0.482 509 R HN 2.803 nan 8.270 nan 0.000 0.706 510 G N 0.902 109.704 108.800 0.004 0.000 2.967 510 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.684 510 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.684 510 G C -0.059 174.842 174.900 0.001 0.000 1.596 510 G CA 0.482 45.583 45.100 0.001 0.000 1.102 510 G HN 0.795 nan 8.290 nan 0.000 0.596 511 T N 2.295 116.845 114.554 -0.007 0.000 2.709 511 T HA 0.162 4.511 4.350 -0.001 0.000 0.269 511 T C 0.831 175.536 174.700 0.008 0.000 1.008 511 T CA 1.139 63.235 62.100 -0.006 0.000 1.194 511 T CB -0.044 68.816 68.868 -0.014 0.000 0.986 511 T HN 0.693 nan 8.240 nan 0.000 0.508 512 D N 2.740 123.147 120.400 0.011 0.000 2.877 512 D HA -0.061 4.579 4.640 -0.001 0.000 0.220 512 D C 0.196 176.519 176.300 0.039 0.000 1.089 512 D CA 0.814 54.831 54.000 0.028 0.000 0.811 512 D CB 0.222 41.037 40.800 0.026 0.000 1.162 512 D HN 0.430 nan 8.370 nan 0.000 0.513 513 I N 3.257 123.862 120.570 0.058 0.000 2.312 513 I HA 0.112 4.282 4.170 -0.001 0.000 0.290 513 I C -0.137 176.051 176.117 0.119 0.000 1.008 513 I CA -0.896 60.450 61.300 0.077 0.000 1.226 513 I CB 1.349 39.390 38.000 0.068 0.000 1.371 513 I HN -0.004 nan 8.210 nan 0.000 0.468 514 V N 7.616 127.621 119.914 0.152 0.000 2.432 514 V HA 0.201 4.320 4.120 -0.001 0.000 0.271 514 V C 0.509 176.786 176.094 0.305 0.000 1.046 514 V CA -0.508 61.944 62.300 0.253 0.000 0.945 514 V CB 0.972 32.945 31.823 0.249 0.000 0.992 514 V HN 0.483 nan 8.190 nan 0.000 0.471 515 L N 4.648 126.061 121.223 0.315 0.000 2.453 515 L HA 0.404 4.744 4.340 -0.001 0.000 0.272 515 L C 1.535 178.546 176.870 0.235 0.000 1.182 515 L CA 0.910 55.863 54.840 0.188 0.000 0.858 515 L CB 0.131 42.185 42.059 -0.008 0.000 1.120 515 L HN 0.957 nan 8.230 nan 0.000 0.474 516 G N 1.735 110.549 108.800 0.023 0.000 2.184 516 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.264 516 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.264 516 G C 0.563 175.557 174.900 0.156 0.000 0.975 516 G CA 0.185 45.221 45.100 -0.108 0.000 0.642 516 G HN 1.546 nan 8.290 nan 0.000 0.536 517 G N -1.808 107.223 108.800 0.385 0.000 2.570 517 G HA2 0.443 4.402 3.960 -0.001 0.000 0.686 517 G HA3 0.443 4.402 3.960 -0.001 0.000 0.686 517 G C -0.120 175.081 174.900 0.501 0.000 1.257 517 G CA 0.275 45.663 45.100 0.481 0.000 0.846 517 G HN 2.018 nan 8.290 nan 0.000 0.627 518 S N 1.027 116.870 115.700 0.238 0.000 2.430 518 S HA 0.462 4.931 4.470 -0.001 0.000 0.289 518 S C 1.345 175.897 174.600 -0.081 0.000 1.143 518 S CA 0.164 58.340 58.200 -0.040 0.000 1.067 518 S CB 0.651 63.739 63.200 -0.186 0.000 0.964 518 S HN 1.477 nan 8.310 nan 0.000 0.485 519 W N 3.080 124.241 121.300 -0.231 0.000 2.425 519 W HA -0.103 4.557 4.660 -0.001 0.000 0.277 519 W C 0.962 177.380 176.519 -0.168 0.000 1.231 519 W CA 0.689 57.903 57.345 -0.218 0.000 1.248 519 W CB -1.030 28.141 29.460 -0.482 0.000 1.117 519 W HN 0.666 nan 8.180 nan 0.000 0.568 520 Q N 1.317 120.326 119.800 -1.318 0.000 2.050 520 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 520 Q C 2.767 178.501 176.000 -0.443 0.000 0.980 520 Q CA 2.213 57.369 55.803 -1.079 0.000 0.840 520 Q CB -0.650 27.383 28.738 -1.176 0.000 0.898 520 Q HN 0.326 nan 8.270 nan 0.000 0.424 521 A N 1.349 123.978 122.820 -0.318 0.000 1.986 521 A HA -0.275 4.045 4.320 -0.001 0.000 0.220 521 A C 1.829 179.361 177.584 -0.086 0.000 1.171 521 A CA 1.757 53.700 52.037 -0.156 0.000 0.640 521 A CB -0.476 18.465 19.000 -0.099 0.000 0.811 521 A HN 0.381 nan 8.150 nan 0.000 0.451 522 E N -0.700 119.467 120.200 -0.055 0.000 2.031 522 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 522 E C 2.200 178.811 176.600 0.018 0.000 0.994 522 E CA 1.652 58.065 56.400 0.023 0.000 0.800 522 E CB -0.316 29.449 29.700 0.107 0.000 0.752 522 E HN 0.638 nan 8.360 nan 0.000 0.447 523 V N -0.478 119.443 119.914 0.011 0.000 2.379 523 V HA -0.045 4.074 4.120 -0.001 0.000 0.245 523 V C 2.227 178.309 176.094 -0.020 0.000 1.044 523 V CA 1.626 63.938 62.300 0.020 0.000 1.036 523 V CB -0.604 31.256 31.823 0.062 0.000 0.664 523 V HN 0.223 nan 8.190 nan 0.000 0.453 524 A N 0.640 123.422 122.820 -0.063 0.000 2.042 524 A HA -0.098 4.222 4.320 -0.001 0.000 0.222 524 A C 2.413 179.975 177.584 -0.037 0.000 1.167 524 A CA 2.628 54.629 52.037 -0.060 0.000 0.649 524 A CB -1.040 17.907 19.000 -0.088 0.000 0.809 524 A HN 1.180 nan 8.150 nan 0.000 0.457 525 A N -0.815 121.988 122.820 -0.028 0.000 2.072 525 A HA 0.358 4.677 4.320 -0.001 0.000 0.216 525 A C 1.022 178.603 177.584 -0.006 0.000 1.156 525 A CA -0.047 51.980 52.037 -0.016 0.000 0.701 525 A CB -0.348 18.645 19.000 -0.012 0.000 0.816 525 A HN 0.449 nan 8.150 nan 0.000 0.458 526 L N 0.320 121.544 121.223 0.001 0.000 2.514 526 L HA -0.001 4.339 4.340 -0.001 0.000 0.280 526 L C 1.668 178.540 176.870 0.003 0.000 1.223 526 L CA -0.354 54.491 54.840 0.008 0.000 0.864 526 L CB 0.332 42.401 42.059 0.017 0.000 1.118 526 L HN 0.320 nan 8.230 nan 0.000 0.494 527 E N 1.563 121.765 120.200 0.004 0.000 2.112 527 E HA -0.090 4.259 4.350 -0.001 0.000 0.190 527 E C 0.311 176.912 176.600 0.003 0.000 0.979 527 E CA 0.997 57.398 56.400 0.002 0.000 0.814 527 E CB 0.214 29.915 29.700 0.002 0.000 0.762 527 E HN 0.518 nan 8.360 nan 0.000 0.460 528 N N 0.207 118.911 118.700 0.006 0.000 2.646 528 N HA 0.124 4.864 4.740 -0.001 0.000 0.296 528 N C -2.787 172.730 175.510 0.011 0.000 1.886 528 N CA -1.381 51.673 53.050 0.007 0.000 0.855 528 N CB 0.737 39.229 38.487 0.007 0.000 1.336 528 N HN -0.149 nan 8.380 nan 0.000 0.496 529 P HA -0.014 nan 4.420 nan 0.000 0.256 529 P C 0.579 177.891 177.300 0.020 0.000 1.173 529 P CA 0.383 63.495 63.100 0.020 0.000 0.768 529 P CB 0.166 31.880 31.700 0.022 0.000 0.758 530 T N 0.431 114.998 114.554 0.022 0.000 2.753 530 T HA 0.425 4.775 4.350 -0.001 0.000 0.309 530 T C 1.319 176.032 174.700 0.023 0.000 1.043 530 T CA 0.144 62.255 62.100 0.019 0.000 0.964 530 T CB 0.457 69.335 68.868 0.017 0.000 1.206 530 T HN 0.273 nan 8.240 nan 0.000 0.528 531 A N -0.432 122.399 122.820 0.019 0.000 1.997 531 A HA 0.234 4.554 4.320 -0.001 0.000 0.212 531 A C 2.130 179.723 177.584 0.014 0.000 1.178 531 A CA 0.858 52.906 52.037 0.018 0.000 0.698 531 A CB -0.763 18.244 19.000 0.011 0.000 0.842 531 A HN 0.793 nan 8.150 nan 0.000 0.458 532 E N 0.223 120.431 120.200 0.012 0.000 2.442 532 E HA 0.008 4.357 4.350 -0.001 0.000 0.195 532 E C 1.881 178.491 176.600 0.017 0.000 1.030 532 E CA 0.596 57.002 56.400 0.010 0.000 0.869 532 E CB -0.292 29.412 29.700 0.007 0.000 0.857 532 E HN 0.663 nan 8.360 nan 0.000 0.505 533 Q N -0.147 119.667 119.800 0.023 0.000 2.084 533 Q HA -0.071 4.269 4.340 -0.001 0.000 0.202 533 Q C 1.728 177.754 176.000 0.043 0.000 0.978 533 Q CA 1.423 57.246 55.803 0.033 0.000 0.844 533 Q CB -0.087 28.671 28.738 0.035 0.000 0.898 533 Q HN 0.391 nan 8.270 nan 0.000 0.426 534 I N 0.750 121.346 120.570 0.043 0.000 3.334 534 I HA -0.138 4.032 4.170 -0.001 0.000 0.282 534 I C 1.645 177.766 176.117 0.008 0.000 1.313 534 I CA 0.386 61.720 61.300 0.056 0.000 1.396 534 I CB -0.004 38.041 38.000 0.076 0.000 1.054 534 I HN 0.121 nan 8.210 nan 0.000 0.495 535 E N 0.798 120.998 120.200 -0.001 0.000 2.201 535 E HA -0.080 4.270 4.350 -0.001 0.000 0.193 535 E C 1.974 178.569 176.600 -0.008 0.000 0.957 535 E CA 0.469 56.853 56.400 -0.026 0.000 0.858 535 E CB 0.087 29.774 29.700 -0.022 0.000 0.816 535 E HN 0.197 nan 8.360 nan 0.000 0.475 536 K N 1.321 121.730 120.400 0.016 0.000 2.152 536 K HA -0.039 4.281 4.320 -0.001 0.000 0.206 536 K C 1.946 178.579 176.600 0.054 0.000 1.048 536 K CA 0.913 57.218 56.287 0.030 0.000 0.933 536 K CB -0.319 32.202 32.500 0.035 0.000 0.721 536 K HN 0.048 nan 8.250 nan 0.000 0.447 537 I N 0.483 121.093 120.570 0.066 0.000 2.286 537 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 537 I C 2.006 178.198 176.117 0.125 0.000 1.104 537 I CA 1.061 62.432 61.300 0.120 0.000 1.397 537 I CB -0.113 37.973 38.000 0.144 0.000 1.072 537 I HN 0.132 nan 8.210 nan 0.000 0.417 538 K N 0.788 121.176 120.400 -0.019 0.000 2.148 538 K HA -0.090 4.229 4.320 -0.001 0.000 0.204 538 K C 2.120 178.758 176.600 0.064 0.000 1.050 538 K CA 1.432 57.640 56.287 -0.133 0.000 0.942 538 K CB -0.233 32.047 32.500 -0.367 0.000 0.724 538 K HN 0.304 nan 8.250 nan 0.000 0.446 539 A N 2.091 124.934 122.820 0.038 0.000 1.854 539 A HA -0.153 4.167 4.320 -0.001 0.000 0.214 539 A C 1.676 179.293 177.584 0.056 0.000 1.192 539 A CA 1.580 53.638 52.037 0.036 0.000 0.611 539 A CB -0.436 18.571 19.000 0.011 0.000 0.832 539 A HN 0.142 nan 8.150 nan 0.000 0.442 540 D N -1.082 119.365 120.400 0.078 0.000 2.149 540 D HA -0.224 4.416 4.640 -0.001 0.000 0.194 540 D C 1.511 177.880 176.300 0.115 0.000 1.001 540 D CA 1.584 55.636 54.000 0.088 0.000 0.849 540 D CB -0.488 40.381 40.800 0.115 0.000 0.939 540 D HN 0.775 nan 8.370 nan 0.000 0.449 541 W N 1.291 122.598 121.300 0.011 0.000 2.379 541 W HA -0.205 4.454 4.660 -0.001 0.000 0.307 541 W C 2.438 178.965 176.519 0.012 0.000 1.200 541 W CA 1.396 58.763 57.345 0.037 0.000 1.297 541 W CB -0.452 29.061 29.460 0.088 0.000 1.140 541 W HN -0.124 nan 8.180 nan 0.000 0.507 542 Q N 0.728 120.481 119.800 -0.078 0.000 2.082 542 Q HA -0.275 4.065 4.340 -0.001 0.000 0.211 542 Q C 2.022 177.837 176.000 -0.308 0.000 1.002 542 Q CA 3.438 59.046 55.803 -0.325 0.000 0.868 542 Q CB -1.034 27.676 28.738 -0.046 0.000 0.931 542 Q HN 0.302 nan 8.270 nan 0.000 0.414 543 V N 0.458 120.265 119.914 -0.179 0.000 2.332 543 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 543 V C 2.359 178.324 176.094 -0.214 0.000 1.055 543 V CA 2.421 64.632 62.300 -0.149 0.000 1.038 543 V CB -0.603 31.167 31.823 -0.088 0.000 0.651 543 V HN 0.365 nan 8.190 nan 0.000 0.450 544 R N -1.062 119.268 120.500 -0.283 0.000 2.066 544 R HA -0.143 4.197 4.340 -0.001 0.000 0.232 544 R C 2.447 178.509 176.300 -0.396 0.000 1.131 544 R CA 1.526 57.424 56.100 -0.337 0.000 0.955 544 R CB -0.632 29.451 30.300 -0.361 0.000 0.851 544 R HN 0.655 nan 8.270 nan 0.000 0.432 545 H N 1.144 119.774 119.070 -0.733 0.000 2.321 545 H HA -0.130 4.426 4.556 -0.001 0.000 0.300 545 H C 0.948 176.041 175.328 -0.391 0.000 1.087 545 H CA 1.922 57.558 56.048 -0.687 0.000 1.319 545 H CB 0.205 29.216 29.762 -1.251 0.000 1.379 545 H HN 0.113 nan 8.280 nan 0.000 0.501 546 D N 0.364 120.597 120.400 -0.279 0.000 2.149 546 D HA -0.025 4.614 4.640 -0.001 0.000 0.201 546 D C 2.291 178.468 176.300 -0.205 0.000 0.972 546 D CA 1.156 55.034 54.000 -0.204 0.000 0.835 546 D CB -0.438 40.300 40.800 -0.103 0.000 0.966 546 D HN 0.471 nan 8.370 nan 0.000 0.476 547 A N 0.404 123.105 122.820 -0.198 0.000 1.902 547 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 547 A C 2.413 179.895 177.584 -0.170 0.000 1.181 547 A CA 1.138 53.077 52.037 -0.163 0.000 0.623 547 A CB -0.706 18.202 19.000 -0.153 0.000 0.818 547 A HN 0.150 nan 8.150 nan 0.000 0.443 548 V N -0.010 119.774 119.914 -0.216 0.000 2.427 548 V HA -0.221 3.898 4.120 -0.001 0.000 0.248 548 V C 2.528 178.511 176.094 -0.185 0.000 1.051 548 V CA 1.750 63.938 62.300 -0.187 0.000 1.048 548 V CB -0.668 31.037 31.823 -0.195 0.000 0.666 548 V HN 0.560 nan 8.190 nan 0.000 0.456 549 L N -0.608 120.460 121.223 -0.259 0.000 2.046 549 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 549 L C 2.781 179.571 176.870 -0.133 0.000 1.077 549 L CA 1.323 56.034 54.840 -0.216 0.000 0.747 549 L CB -0.556 41.336 42.059 -0.279 0.000 0.896 549 L HN 0.306 nan 8.230 nan 0.000 0.432 550 E N 0.373 120.497 120.200 -0.127 0.000 2.058 550 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 550 E C 2.116 178.671 176.600 -0.074 0.000 0.997 550 E CA 1.505 57.851 56.400 -0.090 0.000 0.801 550 E CB -0.141 29.508 29.700 -0.086 0.000 0.746 550 E HN 0.435 nan 8.360 nan 0.000 0.450 551 A N -0.516 122.256 122.820 -0.080 0.000 2.248 551 A HA 0.124 4.443 4.320 -0.001 0.000 0.210 551 A C 1.581 179.132 177.584 -0.055 0.000 1.174 551 A CA 1.446 53.444 52.037 -0.065 0.000 0.750 551 A CB -0.276 18.686 19.000 -0.065 0.000 0.780 551 A HN 0.340 nan 8.150 nan 0.000 0.478 552 G N -3.303 105.463 108.800 -0.055 0.000 2.168 552 G HA2 0.307 4.267 3.960 -0.001 0.000 0.197 552 G HA3 0.307 4.267 3.960 -0.001 0.000 0.197 552 G C 1.326 176.213 174.900 -0.020 0.000 0.997 552 G CA 0.362 45.441 45.100 -0.035 0.000 0.658 552 G HN 2.311 nan 8.290 nan 0.000 0.513 553 G N -0.986 107.788 108.800 -0.043 0.000 2.642 553 G HA2 0.147 4.106 3.960 -0.001 0.000 0.231 553 G HA3 0.147 4.106 3.960 -0.001 0.000 0.231 553 G C -0.089 174.816 174.900 0.007 0.000 1.338 553 G CA 0.048 45.127 45.100 -0.034 0.000 0.883 553 G HN 1.671 nan 8.290 nan 0.000 0.570 554 L N 0.898 122.135 121.223 0.024 0.000 2.410 554 L HA 0.600 4.940 4.340 -0.001 0.000 0.273 554 L C 0.630 177.550 176.870 0.083 0.000 1.144 554 L CA -0.177 54.692 54.840 0.049 0.000 0.863 554 L CB 0.453 42.534 42.059 0.036 0.000 1.140 554 L HN 0.848 nan 8.230 nan 0.000 0.463 555 H N 5.358 124.424 119.070 -0.006 0.000 2.562 555 H HA 0.463 5.019 4.556 -0.001 0.000 0.314 555 H C -0.756 174.560 175.328 -0.019 0.000 1.079 555 H CA -0.565 55.477 56.048 -0.009 0.000 1.349 555 H CB 0.570 30.329 29.762 -0.006 0.000 1.432 555 H HN 0.469 nan 8.280 nan 0.000 0.479 556 I N 7.445 127.711 120.570 -0.506 0.000 2.354 556 I HA 0.215 4.385 4.170 -0.001 0.000 0.292 556 I C -0.064 175.661 176.117 -0.654 0.000 0.989 556 I CA -0.502 60.536 61.300 -0.436 0.000 1.188 556 I CB 0.982 38.816 38.000 -0.276 0.000 1.342 556 I HN 0.634 nan 8.210 nan 0.000 0.457 557 I N 5.035 125.339 120.570 -0.442 0.000 2.382 557 I HA 0.366 4.536 4.170 -0.001 0.000 0.286 557 I C 0.620 176.527 176.117 -0.349 0.000 1.002 557 I CA -0.446 60.661 61.300 -0.321 0.000 1.135 557 I CB 1.983 39.901 38.000 -0.137 0.000 1.288 557 I HN 0.623 nan 8.210 nan 0.000 0.448 558 G N 2.773 111.215 108.800 -0.597 0.000 2.327 558 G HA2 0.320 4.280 3.960 -0.001 0.000 0.302 558 G HA3 0.320 4.280 3.960 -0.001 0.000 0.302 558 G C 0.915 175.798 174.900 -0.028 0.000 1.113 558 G CA -0.266 44.563 45.100 -0.452 0.000 0.921 558 G HN 0.728 nan 8.290 nan 0.000 0.425 559 T N -0.293 114.265 114.554 0.007 0.000 3.067 559 T HA 0.172 4.522 4.350 -0.001 0.000 0.261 559 T C 0.540 175.304 174.700 0.106 0.000 1.110 559 T CA 0.557 62.683 62.100 0.042 0.000 1.113 559 T CB 0.184 69.025 68.868 -0.045 0.000 0.917 559 T HN 0.430 nan 8.240 nan 0.000 0.499 560 E N -0.228 120.037 120.200 0.108 0.000 2.408 560 E HA 0.586 4.935 4.350 -0.001 0.000 0.275 560 E C -0.881 175.809 176.600 0.149 0.000 0.935 560 E CA -0.835 55.618 56.400 0.089 0.000 0.775 560 E CB 1.797 31.478 29.700 -0.032 0.000 1.277 560 E HN 0.141 nan 8.360 nan 0.000 0.455 561 R N 0.741 121.296 120.500 0.093 0.000 2.500 561 R HA 0.443 4.783 4.340 -0.001 0.000 0.277 561 R C -0.441 175.809 176.300 -0.083 0.000 1.026 561 R CA -0.580 55.527 56.100 0.012 0.000 1.058 561 R CB 0.639 30.892 30.300 -0.077 0.000 1.078 561 R HN 0.524 nan 8.270 nan 0.000 0.509 562 H N -0.017 119.067 119.070 0.023 0.000 2.499 562 H HA 0.036 4.591 4.556 -0.001 0.000 0.352 562 H C 0.798 176.113 175.328 -0.021 0.000 1.237 562 H CA -0.249 55.808 56.048 0.015 0.000 1.343 562 H CB 1.261 31.039 29.762 0.026 0.000 1.578 562 H HN 0.637 nan 8.280 nan 0.000 0.577 563 E N 0.324 120.600 120.200 0.126 0.000 2.152 563 E HA -0.088 4.262 4.350 -0.001 0.000 0.192 563 E C 0.166 176.783 176.600 0.027 0.000 0.983 563 E CA 0.367 56.788 56.400 0.035 0.000 0.818 563 E CB 0.257 29.974 29.700 0.028 0.000 0.758 563 E HN 0.326 nan 8.360 nan 0.000 0.467 564 S N 0.132 115.865 115.700 0.056 0.000 2.465 564 S HA 0.152 4.621 4.470 -0.001 0.000 0.279 564 S C 0.664 175.277 174.600 0.023 0.000 1.201 564 S CA -0.488 57.729 58.200 0.028 0.000 1.053 564 S CB 1.163 64.370 63.200 0.012 0.000 0.953 564 S HN 0.191 nan 8.310 nan 0.000 0.488 565 R N 3.402 123.900 120.500 -0.004 0.000 2.148 565 R HA -0.026 4.313 4.340 -0.001 0.000 0.227 565 R C 2.407 178.702 176.300 -0.009 0.000 1.103 565 R CA 1.135 57.217 56.100 -0.030 0.000 0.983 565 R CB -0.118 30.152 30.300 -0.049 0.000 0.874 565 R HN 0.793 nan 8.270 nan 0.000 0.451 566 R N 0.848 121.352 120.500 0.006 0.000 2.091 566 R HA -0.152 4.188 4.340 -0.001 0.000 0.238 566 R C 1.980 178.287 176.300 0.011 0.000 1.136 566 R CA 1.841 57.949 56.100 0.013 0.000 0.959 566 R CB -0.405 29.904 30.300 0.014 0.000 0.856 566 R HN 0.237 nan 8.270 nan 0.000 0.437 567 I N 1.281 121.845 120.570 -0.011 0.000 2.264 567 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 567 I C 1.631 177.796 176.117 0.080 0.000 1.111 567 I CA 1.378 62.659 61.300 -0.032 0.000 1.382 567 I CB -0.453 37.427 38.000 -0.200 0.000 1.060 567 I HN 0.213 nan 8.210 nan 0.000 0.418 568 D N 0.850 121.319 120.400 0.114 0.000 2.144 568 D HA -0.135 4.504 4.640 -0.001 0.000 0.200 568 D C 1.921 178.337 176.300 0.193 0.000 0.978 568 D CA 1.023 55.128 54.000 0.175 0.000 0.833 568 D CB -0.436 40.273 40.800 -0.152 0.000 0.961 568 D HN 0.276 nan 8.370 nan 0.000 0.470 569 N N 0.657 119.408 118.700 0.085 0.000 2.223 569 N HA -0.109 4.631 4.740 -0.001 0.000 0.185 569 N C 1.750 177.317 175.510 0.095 0.000 1.016 569 N CA 0.645 53.745 53.050 0.083 0.000 0.863 569 N CB -0.135 38.378 38.487 0.044 0.000 0.983 569 N HN 0.397 nan 8.380 nan 0.000 0.429 570 Q N -0.142 119.708 119.800 0.084 0.000 2.083 570 Q HA -0.022 4.318 4.340 -0.001 0.000 0.198 570 Q C 1.950 177.997 176.000 0.079 0.000 0.969 570 Q CA 0.570 56.412 55.803 0.065 0.000 0.838 570 Q CB -0.102 28.659 28.738 0.039 0.000 0.900 570 Q HN 0.202 nan 8.270 nan 0.000 0.436 571 L N 1.177 122.471 121.223 0.117 0.000 1.970 571 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 571 L C 2.369 179.290 176.870 0.085 0.000 1.071 571 L CA 1.926 56.830 54.840 0.106 0.000 0.751 571 L CB -0.488 41.664 42.059 0.156 0.000 0.889 571 L HN 0.057 nan 8.230 nan 0.000 0.432 572 R N -0.614 119.979 120.500 0.154 0.000 2.105 572 R HA -0.146 4.193 4.340 -0.001 0.000 0.239 572 R C 2.029 178.372 176.300 0.071 0.000 1.135 572 R CA 1.392 57.564 56.100 0.121 0.000 0.967 572 R CB -0.814 29.632 30.300 0.244 0.000 0.861 572 R HN 0.584 nan 8.270 nan 0.000 0.442 573 G N -0.029 108.815 108.800 0.074 0.000 2.625 573 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.214 573 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.214 573 G C 1.196 176.121 174.900 0.042 0.000 1.132 573 G CA 0.066 45.199 45.100 0.054 0.000 0.782 573 G HN 0.343 nan 8.290 nan 0.000 0.538 574 R N -0.104 120.418 120.500 0.036 0.000 2.236 574 R HA 0.121 4.461 4.340 -0.001 0.000 0.208 574 R C 1.202 177.520 176.300 0.030 0.000 1.036 574 R CA 0.330 56.449 56.100 0.030 0.000 1.001 574 R CB 0.077 30.390 30.300 0.023 0.000 0.896 574 R HN 0.282 nan 8.270 nan 0.000 0.464 575 S N -1.029 114.686 115.700 0.025 0.000 2.617 575 S HA 0.452 4.922 4.470 -0.001 0.000 0.283 575 S C 0.699 175.319 174.600 0.035 0.000 1.189 575 S CA 0.103 58.319 58.200 0.027 0.000 1.036 575 S CB 1.534 64.742 63.200 0.014 0.000 1.014 575 S HN 0.454 nan 8.310 nan 0.000 0.522 576 G N 2.954 111.775 108.800 0.036 0.000 2.147 576 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.244 576 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.244 576 G C -0.034 174.889 174.900 0.038 0.000 1.005 576 G CA 0.097 45.217 45.100 0.034 0.000 0.713 576 G HN 0.787 nan 8.290 nan 0.000 0.515 577 R N -0.021 120.506 120.500 0.046 0.000 2.491 577 R HA 0.402 4.742 4.340 -0.001 0.000 0.283 577 R C 1.063 177.396 176.300 0.054 0.000 1.072 577 R CA 0.258 56.389 56.100 0.050 0.000 1.048 577 R CB 0.205 30.539 30.300 0.057 0.000 0.983 577 R HN 0.527 nan 8.270 nan 0.000 0.450 578 Q N 0.938 120.765 119.800 0.045 0.000 2.468 578 Q HA -0.266 4.073 4.340 -0.001 0.000 0.289 578 Q C 0.713 176.730 176.000 0.029 0.000 1.299 578 Q CA 0.611 56.436 55.803 0.037 0.000 0.838 578 Q CB -1.505 27.269 28.738 0.061 0.000 1.195 578 Q HN 1.213 nan 8.270 nan 0.000 0.456 579 G N -0.997 107.816 108.800 0.020 0.000 2.225 579 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.254 579 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.254 579 G C -0.122 174.788 174.900 0.018 0.000 0.988 579 G CA -0.003 45.104 45.100 0.012 0.000 0.625 579 G HN 0.458 nan 8.290 nan 0.000 0.527 580 D N 1.688 122.106 120.400 0.030 0.000 2.648 580 D HA 0.432 5.072 4.640 -0.001 0.000 0.229 580 D C 1.098 177.401 176.300 0.005 0.000 1.119 580 D CA 1.095 55.106 54.000 0.019 0.000 0.850 580 D CB 0.692 41.514 40.800 0.036 0.000 1.169 580 D HN 0.898 nan 8.370 nan 0.000 0.489 581 A N 1.951 124.761 122.820 -0.015 0.000 2.466 581 A HA 0.566 4.885 4.320 -0.001 0.000 0.238 581 A C 0.834 178.418 177.584 0.000 0.000 1.074 581 A CA 0.637 52.666 52.037 -0.013 0.000 0.774 581 A CB 0.434 19.415 19.000 -0.032 0.000 1.015 581 A HN 0.613 nan 8.150 nan 0.000 0.498 582 G N -0.778 108.033 108.800 0.018 0.000 2.495 582 G HA2 0.695 4.654 3.960 -0.001 0.000 0.294 582 G HA3 0.695 4.654 3.960 -0.001 0.000 0.294 582 G C -0.800 174.138 174.900 0.063 0.000 1.397 582 G CA 0.255 45.378 45.100 0.038 0.000 0.790 582 G HN 1.915 nan 8.290 nan 0.000 0.486 583 S N -1.615 114.147 115.700 0.104 0.000 2.615 583 S HA 0.898 5.368 4.470 -0.001 0.000 0.269 583 S C -0.650 174.008 174.600 0.097 0.000 1.161 583 S CA 0.057 58.350 58.200 0.154 0.000 0.817 583 S CB 1.523 64.875 63.200 0.253 0.000 1.131 583 S HN 2.311 nan 8.310 nan 0.000 0.467 584 S N 0.064 115.806 115.700 0.069 0.000 2.541 584 S HA 0.854 5.323 4.470 -0.001 0.000 0.271 584 S C -1.169 173.430 174.600 -0.002 0.000 1.133 584 S CA -0.847 57.292 58.200 -0.102 0.000 0.876 584 S CB 2.109 65.291 63.200 -0.030 0.000 1.105 584 S HN 1.126 nan 8.310 nan 0.000 0.470 585 R N 1.135 121.551 120.500 -0.141 0.000 2.548 585 R HA 0.666 5.006 4.340 -0.001 0.000 0.280 585 R C -2.256 173.944 176.300 -0.166 0.000 1.061 585 R CA -0.460 55.625 56.100 -0.026 0.000 0.915 585 R CB 0.903 31.262 30.300 0.098 0.000 1.210 585 R HN 0.668 nan 8.270 nan 0.000 0.442 586 F N 3.692 123.600 119.950 -0.070 0.000 2.422 586 F HA 0.502 5.029 4.527 -0.000 0.000 0.333 586 F C -0.458 175.254 175.800 -0.147 0.000 1.095 586 F CA -0.355 57.637 58.000 -0.013 0.000 1.038 586 F CB 1.415 40.414 39.000 -0.002 0.000 1.156 586 F HN 0.394 nan 8.300 nan 0.000 0.483 587 Y N 2.857 123.296 120.300 0.231 0.000 2.393 587 Y HA 0.690 5.240 4.550 -0.000 0.000 0.341 587 Y C -0.745 175.262 175.900 0.179 0.000 0.988 587 Y CA -0.915 57.301 58.100 0.194 0.000 1.078 587 Y CB 1.606 40.142 38.460 0.128 0.000 1.203 587 Y HN 0.310 nan 8.280 nan 0.000 0.453 588 L N 2.201 123.596 121.223 0.287 0.000 2.350 588 L HA 0.757 5.097 4.340 -0.001 0.000 0.260 588 L C -0.393 176.619 176.870 0.236 0.000 1.015 588 L CA -0.554 54.409 54.840 0.205 0.000 0.821 588 L CB 2.474 44.607 42.059 0.124 0.000 1.370 588 L HN 0.661 nan 8.230 nan 0.000 0.416 589 S N 0.283 116.088 115.700 0.175 0.000 2.667 589 S HA 0.541 5.010 4.470 -0.001 0.000 0.292 589 S C 0.483 175.151 174.600 0.113 0.000 1.126 589 S CA -0.795 57.504 58.200 0.166 0.000 0.881 589 S CB 1.452 64.746 63.200 0.157 0.000 1.132 589 S HN 0.487 nan 8.310 nan 0.000 0.492 590 M N 1.089 120.746 119.600 0.094 0.000 2.460 590 M HA 0.027 4.507 4.480 -0.001 0.000 0.263 590 M C 1.065 177.410 176.300 0.076 0.000 1.071 590 M CA 1.062 56.408 55.300 0.076 0.000 1.096 590 M CB -1.708 30.926 32.600 0.055 0.000 1.408 590 M HN 0.921 nan 8.290 nan 0.000 0.463 591 E N -0.473 119.771 120.200 0.073 0.000 2.423 591 E HA 0.201 4.551 4.350 -0.001 0.000 0.198 591 E C -0.666 175.969 176.600 0.059 0.000 1.038 591 E CA -0.287 56.149 56.400 0.060 0.000 1.011 591 E CB -0.048 29.682 29.700 0.050 0.000 1.118 591 E HN 0.137 nan 8.360 nan 0.000 0.451 592 D N 0.959 121.402 120.400 0.071 0.000 2.255 592 D HA 0.230 4.870 4.640 -0.001 0.000 0.249 592 D C 1.008 177.342 176.300 0.056 0.000 1.078 592 D CA -0.057 53.981 54.000 0.063 0.000 0.896 592 D CB 1.520 42.367 40.800 0.077 0.000 1.194 592 D HN 0.140 nan 8.370 nan 0.000 0.429 593 A N 2.690 125.532 122.820 0.036 0.000 1.892 593 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 593 A C 2.095 179.691 177.584 0.022 0.000 1.188 593 A CA 1.192 53.245 52.037 0.026 0.000 0.631 593 A CB -0.873 18.136 19.000 0.015 0.000 0.822 593 A HN 0.682 nan 8.150 nan 0.000 0.447 594 L N -0.827 120.403 121.223 0.012 0.000 2.189 594 L HA -0.150 4.190 4.340 -0.001 0.000 0.214 594 L C 1.839 178.708 176.870 -0.002 0.000 1.097 594 L CA 1.088 55.916 54.840 -0.019 0.000 0.764 594 L CB -0.176 41.871 42.059 -0.019 0.000 0.900 594 L HN 0.347 nan 8.230 nan 0.000 0.436 595 M N -0.821 118.845 119.600 0.110 0.000 2.788 595 M HA -0.090 4.390 4.480 -0.001 0.000 0.224 595 M C 1.561 178.006 176.300 0.242 0.000 1.078 595 M CA 1.055 56.519 55.300 0.274 0.000 1.046 595 M CB -0.772 31.966 32.600 0.230 0.000 1.690 595 M HN 0.318 nan 8.290 nan 0.000 0.532 596 R N 0.166 120.708 120.500 0.071 0.000 2.175 596 R HA 0.130 4.470 4.340 -0.001 0.000 0.202 596 R C 2.013 178.286 176.300 -0.045 0.000 1.018 596 R CA 0.447 56.572 56.100 0.041 0.000 1.029 596 R CB -0.013 30.297 30.300 0.017 0.000 0.959 596 R HN 0.462 nan 8.270 nan 0.000 0.480 597 I N -1.144 119.302 120.570 -0.208 0.000 3.102 597 I HA -0.116 4.054 4.170 -0.001 0.000 0.278 597 I C 0.140 176.005 176.117 -0.420 0.000 1.316 597 I CA 1.119 62.232 61.300 -0.311 0.000 1.425 597 I CB -0.292 37.484 38.000 -0.374 0.000 1.073 597 I HN -0.111 nan 8.210 nan 0.000 0.503 598 F N 2.078 122.042 119.950 0.023 0.000 2.873 598 F HA 0.578 5.104 4.527 -0.001 0.000 0.289 598 F C 1.836 177.649 175.800 0.023 0.000 1.206 598 F CA -0.284 57.731 58.000 0.026 0.000 1.401 598 F CB -0.847 38.172 39.000 0.033 0.000 0.996 598 F HN 0.159 nan 8.300 nan 0.000 0.511 599 A N -0.017 122.867 122.820 0.108 0.000 2.557 599 A HA -0.238 4.082 4.320 -0.001 0.000 0.334 599 A C 0.963 178.599 177.584 0.087 0.000 1.512 599 A CA 1.491 53.574 52.037 0.077 0.000 1.099 599 A CB -1.399 17.633 19.000 0.053 0.000 0.893 599 A HN 0.408 nan 8.150 nan 0.000 0.415 600 S N -2.264 113.506 115.700 0.117 0.000 2.592 600 S HA 0.465 4.935 4.470 -0.001 0.000 0.275 600 S C 0.045 174.692 174.600 0.079 0.000 1.169 600 S CA -0.151 58.100 58.200 0.086 0.000 0.958 600 S CB 1.202 64.446 63.200 0.073 0.000 1.095 600 S HN 0.245 nan 8.310 nan 0.000 0.471 601 D N 2.480 122.914 120.400 0.056 0.000 2.162 601 D HA 0.084 4.724 4.640 -0.001 0.000 0.203 601 D C 2.026 178.346 176.300 0.033 0.000 0.967 601 D CA 0.760 54.788 54.000 0.047 0.000 0.840 601 D CB 0.119 40.941 40.800 0.037 0.000 0.972 601 D HN 0.437 nan 8.370 nan 0.000 0.482 602 R N 0.430 120.945 120.500 0.025 0.000 2.080 602 R HA -0.114 4.226 4.340 -0.001 0.000 0.236 602 R C 2.118 178.421 176.300 0.005 0.000 1.137 602 R CA 0.871 56.979 56.100 0.013 0.000 0.943 602 R CB -0.582 29.724 30.300 0.009 0.000 0.846 602 R HN 0.098 nan 8.270 nan 0.000 0.431 603 V N 0.647 120.568 119.914 0.011 0.000 2.221 603 V HA -0.320 3.800 4.120 -0.001 0.000 0.244 603 V C 2.280 178.346 176.094 -0.047 0.000 1.043 603 V CA 2.332 64.625 62.300 -0.013 0.000 0.996 603 V CB -0.817 31.012 31.823 0.011 0.000 0.636 603 V HN 0.399 nan 8.190 nan 0.000 0.454 604 S N 0.806 116.479 115.700 -0.044 0.000 2.400 604 S HA -0.241 4.229 4.470 -0.001 0.000 0.234 604 S C 1.803 176.385 174.600 -0.030 0.000 1.049 604 S CA 1.558 59.718 58.200 -0.067 0.000 1.039 604 S CB -0.905 62.323 63.200 0.046 0.000 0.856 604 S HN 0.781 nan 8.310 nan 0.000 0.465 605 G N -0.017 108.781 108.800 -0.004 0.000 2.956 605 G HA2 0.040 3.999 3.960 -0.001 0.000 0.207 605 G HA3 0.040 3.999 3.960 -0.001 0.000 0.207 605 G C 1.057 175.953 174.900 -0.006 0.000 1.162 605 G CA 0.262 45.363 45.100 0.003 0.000 0.796 605 G HN 0.369 nan 8.290 nan 0.000 0.527 606 M N 0.072 119.662 119.600 -0.017 0.000 2.388 606 M HA 0.298 4.778 4.480 -0.001 0.000 0.265 606 M C 2.277 178.570 176.300 -0.011 0.000 1.088 606 M CA 0.776 56.065 55.300 -0.019 0.000 1.134 606 M CB -0.210 32.370 32.600 -0.033 0.000 1.384 606 M HN 0.070 nan 8.290 nan 0.000 0.447 607 M N -0.346 119.247 119.600 -0.012 0.000 2.202 607 M HA -0.203 4.277 4.480 -0.001 0.000 0.262 607 M C 1.835 178.132 176.300 -0.005 0.000 1.063 607 M CA 1.550 56.846 55.300 -0.006 0.000 1.097 607 M CB -1.011 31.569 32.600 -0.034 0.000 1.382 607 M HN 0.305 nan 8.290 nan 0.000 0.413 608 R N 0.087 120.587 120.500 -0.001 0.000 2.241 608 R HA -0.087 4.253 4.340 -0.001 0.000 0.224 608 R C 1.901 178.205 176.300 0.007 0.000 1.101 608 R CA 0.654 56.759 56.100 0.007 0.000 0.995 608 R CB -0.228 30.079 30.300 0.012 0.000 0.870 608 R HN 0.291 nan 8.270 nan 0.000 0.463 609 K N 0.273 120.673 120.400 0.001 0.000 2.365 609 K HA 0.016 4.335 4.320 -0.001 0.000 0.197 609 K C 1.505 178.106 176.600 0.001 0.000 1.042 609 K CA 0.450 56.736 56.287 -0.001 0.000 0.987 609 K CB 0.156 32.650 32.500 -0.009 0.000 0.779 609 K HN 0.096 nan 8.250 nan 0.000 0.484 610 L N 0.176 121.401 121.223 0.003 0.000 2.465 610 L HA -0.024 4.316 4.340 -0.001 0.000 0.224 610 L C 1.658 178.541 176.870 0.023 0.000 1.145 610 L CA 1.517 56.364 54.840 0.012 0.000 0.834 610 L CB -0.732 41.331 42.059 0.005 0.000 0.944 610 L HN 0.461 nan 8.230 nan 0.000 0.451 611 G N -1.718 107.092 108.800 0.016 0.000 2.779 611 G HA2 -0.519 3.441 3.960 -0.001 0.000 0.230 611 G HA3 -0.519 3.441 3.960 -0.001 0.000 0.230 611 G C 0.950 175.867 174.900 0.027 0.000 1.243 611 G CA 0.896 46.010 45.100 0.023 0.000 0.769 611 G HN 0.226 nan 8.290 nan 0.000 0.516 612 M N -2.461 117.152 119.600 0.022 0.000 2.866 612 M HA -0.178 4.301 4.480 -0.001 0.000 0.168 612 M C 0.577 176.904 176.300 0.046 0.000 0.666 612 M CA 2.450 57.756 55.300 0.010 0.000 0.642 612 M CB -1.423 31.171 32.600 -0.010 0.000 2.332 612 M HN 0.941 nan 8.290 nan 0.000 0.269 613 K N -0.968 119.469 120.400 0.060 0.000 6.228 613 K HA -0.126 4.194 4.320 -0.001 0.000 0.581 613 K C -2.470 174.180 176.600 0.082 0.000 1.437 613 K CA 0.597 56.921 56.287 0.061 0.000 1.549 613 K CB -1.253 31.275 32.500 0.046 0.000 1.807 613 K HN 0.283 nan 8.250 nan 0.000 0.358 614 P HA -0.195 nan 4.420 nan 0.000 0.055 614 P C 0.784 178.134 177.300 0.084 0.000 0.646 614 P CA 2.163 65.319 63.100 0.094 0.000 1.019 614 P CB -0.500 31.235 31.700 0.059 0.000 1.716 615 G N 0.268 109.139 108.800 0.119 0.000 2.205 615 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.180 615 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.180 615 G C 0.341 175.290 174.900 0.080 0.000 1.004 615 G CA -0.356 44.801 45.100 0.096 0.000 0.670 615 G HN 0.486 nan 8.290 nan 0.000 0.496 616 E N 0.640 120.886 120.200 0.076 0.000 2.939 616 E HA 0.619 4.968 4.350 -0.001 0.000 0.215 616 E C 0.985 177.609 176.600 0.041 0.000 1.025 616 E CA 0.282 56.711 56.400 0.048 0.000 1.259 616 E CB 0.135 29.859 29.700 0.040 0.000 1.228 616 E HN 0.637 nan 8.360 nan 0.000 0.443 617 A N 0.283 123.131 122.820 0.048 0.000 2.259 617 A HA 0.426 4.745 4.320 -0.001 0.000 0.278 617 A C 0.731 178.298 177.584 -0.030 0.000 1.107 617 A CA -0.234 51.804 52.037 0.002 0.000 0.828 617 A CB 0.640 19.626 19.000 -0.024 0.000 1.111 617 A HN 0.449 nan 8.150 nan 0.000 0.498 618 I N -1.868 118.652 120.570 -0.083 0.000 3.873 618 I HA 0.196 4.365 4.170 -0.001 0.000 0.284 618 I C -0.579 175.410 176.117 -0.214 0.000 1.186 618 I CA 0.405 61.618 61.300 -0.146 0.000 1.362 618 I CB 0.324 38.223 38.000 -0.168 0.000 1.432 618 I HN 0.819 nan 8.210 nan 0.000 0.454 619 E N 0.884 120.929 120.200 -0.258 0.000 7.525 619 E HA -0.136 4.213 4.350 -0.001 0.000 0.334 619 E C -1.060 175.270 176.600 -0.450 0.000 0.697 619 E CA 0.100 56.347 56.400 -0.255 0.000 1.326 619 E CB -0.758 28.841 29.700 -0.168 0.000 0.925 619 E HN 0.403 nan 8.360 nan 0.000 0.262 620 H N 3.002 121.975 119.070 -0.162 0.000 2.866 620 H HA 0.179 4.734 4.556 -0.001 0.000 0.287 620 H C -1.616 173.527 175.328 -0.308 0.000 1.106 620 H CA -1.844 54.093 56.048 -0.184 0.000 1.396 620 H CB 0.891 30.496 29.762 -0.262 0.000 1.469 620 H HN 0.206 nan 8.280 nan 0.000 0.500 621 P HA -0.217 nan 4.420 nan 0.000 0.222 621 P C 1.410 178.709 177.300 -0.003 0.000 1.142 621 P CA 1.058 64.135 63.100 -0.039 0.000 0.788 621 P CB 0.073 31.789 31.700 0.026 0.000 0.767 622 W N -0.127 121.205 121.300 0.053 0.000 2.425 622 W HA -0.050 4.610 4.660 -0.000 0.000 0.277 622 W C 1.129 177.656 176.519 0.014 0.000 1.231 622 W CA 0.168 57.528 57.345 0.025 0.000 1.248 622 W CB -1.574 27.893 29.460 0.011 0.000 1.117 622 W HN -0.247 nan 8.180 nan 0.000 0.568 623 V N 2.416 121.786 119.914 -0.906 0.000 2.343 623 V HA -0.305 3.815 4.120 -0.001 0.000 0.247 623 V C 2.573 178.487 176.094 -0.300 0.000 1.051 623 V CA 2.792 64.563 62.300 -0.881 0.000 1.036 623 V CB -1.431 29.812 31.823 -0.966 0.000 0.654 623 V HN 0.183 nan 8.190 nan 0.000 0.451 624 T N -0.351 114.082 114.554 -0.202 0.000 2.684 624 T HA -0.217 4.133 4.350 -0.001 0.000 0.267 624 T C 1.964 176.643 174.700 -0.035 0.000 1.036 624 T CA 1.566 63.607 62.100 -0.098 0.000 1.148 624 T CB -0.199 68.626 68.868 -0.071 0.000 0.863 624 T HN 0.459 nan 8.240 nan 0.000 0.436 625 K N 0.935 121.340 120.400 0.008 0.000 2.025 625 K HA 0.060 4.380 4.320 -0.001 0.000 0.207 625 K C 2.749 179.405 176.600 0.093 0.000 1.049 625 K CA 1.111 57.432 56.287 0.058 0.000 0.933 625 K CB -0.357 32.201 32.500 0.097 0.000 0.714 625 K HN 0.276 nan 8.250 nan 0.000 0.438 626 A N 1.553 124.461 122.820 0.147 0.000 1.917 626 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 626 A C 2.120 179.849 177.584 0.241 0.000 1.182 626 A CA 1.529 53.698 52.037 0.220 0.000 0.633 626 A CB -0.618 18.559 19.000 0.295 0.000 0.819 626 A HN 0.205 nan 8.150 nan 0.000 0.448 627 I N -0.679 119.988 120.570 0.161 0.000 2.286 627 I HA -0.188 3.982 4.170 -0.001 0.000 0.245 627 I C 2.908 179.048 176.117 0.039 0.000 1.104 627 I CA 0.877 62.267 61.300 0.150 0.000 1.397 627 I CB -0.224 37.825 38.000 0.082 0.000 1.072 627 I HN 0.341 nan 8.210 nan 0.000 0.417 628 A N 0.456 123.283 122.820 0.011 0.000 1.933 628 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 628 A C 2.104 179.688 177.584 -0.001 0.000 1.175 628 A CA 2.093 54.120 52.037 -0.017 0.000 0.628 628 A CB -1.043 17.943 19.000 -0.022 0.000 0.814 628 A HN 0.556 nan 8.150 nan 0.000 0.444 629 N N -0.141 118.580 118.700 0.036 0.000 2.120 629 N HA -0.127 4.613 4.740 -0.001 0.000 0.188 629 N C 1.946 177.471 175.510 0.026 0.000 1.024 629 N CA 1.119 54.193 53.050 0.040 0.000 0.852 629 N CB -0.209 38.327 38.487 0.081 0.000 1.003 629 N HN 0.400 nan 8.380 nan 0.000 0.424 630 A N 0.840 123.683 122.820 0.038 0.000 1.873 630 A HA -0.168 4.151 4.320 -0.001 0.000 0.215 630 A C 2.081 179.602 177.584 -0.106 0.000 1.186 630 A CA 1.169 53.169 52.037 -0.062 0.000 0.616 630 A CB -0.665 18.163 19.000 -0.286 0.000 0.823 630 A HN 0.447 nan 8.150 nan 0.000 0.442 631 Q N -0.827 118.918 119.800 -0.092 0.000 2.124 631 Q HA -0.218 4.122 4.340 -0.001 0.000 0.202 631 Q C 2.314 178.292 176.000 -0.038 0.000 0.977 631 Q CA 1.712 57.471 55.803 -0.072 0.000 0.850 631 Q CB -0.223 28.476 28.738 -0.065 0.000 0.901 631 Q HN 0.818 nan 8.270 nan 0.000 0.429 632 R N 0.694 121.172 120.500 -0.036 0.000 2.148 632 R HA -0.066 4.273 4.340 -0.001 0.000 0.223 632 R C 1.590 177.863 176.300 -0.044 0.000 1.088 632 R CA 1.089 57.162 56.100 -0.045 0.000 0.985 632 R CB 0.032 30.289 30.300 -0.072 0.000 0.880 632 R HN 0.038 nan 8.270 nan 0.000 0.451 633 K N 0.654 121.035 120.400 -0.032 0.000 2.167 633 K HA 0.004 4.324 4.320 -0.001 0.000 0.203 633 K C 2.074 178.676 176.600 0.003 0.000 1.052 633 K CA 1.059 57.336 56.287 -0.017 0.000 0.956 633 K CB 0.086 32.581 32.500 -0.009 0.000 0.735 633 K HN 0.026 nan 8.250 nan 0.000 0.451 634 V N 2.079 121.987 119.914 -0.010 0.000 2.287 634 V HA -0.233 3.887 4.120 -0.001 0.000 0.248 634 V C 2.349 178.475 176.094 0.054 0.000 1.053 634 V CA 1.727 64.030 62.300 0.005 0.000 1.027 634 V CB -0.352 31.457 31.823 -0.023 0.000 0.646 634 V HN 0.307 nan 8.190 nan 0.000 0.447 635 E N 0.064 120.306 120.200 0.070 0.000 2.058 635 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 635 E C 2.540 179.292 176.600 0.253 0.000 0.997 635 E CA 1.686 58.176 56.400 0.151 0.000 0.801 635 E CB -0.296 29.505 29.700 0.169 0.000 0.746 635 E HN 0.533 nan 8.360 nan 0.000 0.450 636 S N 0.215 116.025 115.700 0.184 0.000 2.359 636 S HA -0.154 4.315 4.470 -0.001 0.000 0.224 636 S C 1.928 176.647 174.600 0.199 0.000 1.035 636 S CA 1.035 59.363 58.200 0.214 0.000 1.018 636 S CB -0.094 63.130 63.200 0.039 0.000 0.876 636 S HN 0.219 nan 8.310 nan 0.000 0.448 637 R N 1.005 121.572 120.500 0.112 0.000 2.112 637 R HA -0.116 4.224 4.340 -0.001 0.000 0.242 637 R C 2.174 178.528 176.300 0.091 0.000 1.137 637 R CA 1.970 58.117 56.100 0.080 0.000 0.944 637 R CB -0.511 29.817 30.300 0.047 0.000 0.857 637 R HN 0.532 nan 8.270 nan 0.000 0.435 638 N N -0.645 118.125 118.700 0.116 0.000 2.142 638 N HA -0.174 4.565 4.740 -0.001 0.000 0.186 638 N C 1.673 177.262 175.510 0.131 0.000 1.023 638 N CA 0.906 54.019 53.050 0.106 0.000 0.852 638 N CB -0.171 38.378 38.487 0.104 0.000 0.998 638 N HN 0.071 nan 8.380 nan 0.000 0.424 639 F N 2.608 122.600 119.950 0.070 0.000 2.134 639 F HA -0.143 4.384 4.527 -0.001 0.000 0.299 639 F C 1.727 177.563 175.800 0.059 0.000 1.097 639 F CA 1.327 59.361 58.000 0.056 0.000 1.264 639 F CB -0.339 38.726 39.000 0.107 0.000 1.001 639 F HN -0.055 nan 8.300 nan 0.000 0.479 640 D N 0.444 120.839 120.400 -0.009 0.000 2.158 640 D HA -0.232 4.408 4.640 -0.001 0.000 0.197 640 D C 2.422 178.622 176.300 -0.167 0.000 0.995 640 D CA 1.769 55.709 54.000 -0.100 0.000 0.846 640 D CB -0.473 40.335 40.800 0.013 0.000 0.941 640 D HN 0.352 nan 8.370 nan 0.000 0.456 641 I N 0.073 120.575 120.570 -0.112 0.000 2.353 641 I HA -0.158 4.011 4.170 -0.001 0.000 0.248 641 I C 2.575 178.602 176.117 -0.151 0.000 1.119 641 I CA 0.661 61.906 61.300 -0.092 0.000 1.417 641 I CB -0.011 37.966 38.000 -0.038 0.000 1.078 641 I HN -0.094 nan 8.210 nan 0.000 0.421 642 R N 0.758 121.113 120.500 -0.241 0.000 2.075 642 R HA -0.183 4.156 4.340 -0.001 0.000 0.232 642 R C 2.292 178.380 176.300 -0.353 0.000 1.126 642 R CA 1.280 57.228 56.100 -0.253 0.000 0.963 642 R CB -0.120 30.056 30.300 -0.206 0.000 0.858 642 R HN 0.144 nan 8.270 nan 0.000 0.435 643 K N 0.417 120.434 120.400 -0.638 0.000 2.063 643 K HA -0.185 4.135 4.320 -0.001 0.000 0.208 643 K C 2.141 178.615 176.600 -0.209 0.000 1.048 643 K CA 1.425 57.411 56.287 -0.500 0.000 0.928 643 K CB 0.111 32.258 32.500 -0.588 0.000 0.713 643 K HN 0.012 nan 8.250 nan 0.000 0.442 644 Q N 0.343 120.056 119.800 -0.145 0.000 2.084 644 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 644 Q C 2.204 178.249 176.000 0.076 0.000 0.978 644 Q CA 1.370 57.160 55.803 -0.022 0.000 0.844 644 Q CB -0.211 28.535 28.738 0.012 0.000 0.898 644 Q HN 0.392 nan 8.270 nan 0.000 0.426 645 L N -0.025 121.205 121.223 0.013 0.000 2.056 645 L HA -0.155 4.185 4.340 -0.001 0.000 0.207 645 L C 2.375 179.282 176.870 0.063 0.000 1.078 645 L CA 0.697 55.564 54.840 0.045 0.000 0.749 645 L CB -0.527 41.512 42.059 -0.033 0.000 0.901 645 L HN 0.171 nan 8.230 nan 0.000 0.433 646 L N -0.390 120.825 121.223 -0.013 0.000 2.127 646 L HA -0.227 4.113 4.340 -0.001 0.000 0.211 646 L C 2.411 179.277 176.870 -0.006 0.000 1.089 646 L CA 1.275 56.106 54.840 -0.016 0.000 0.757 646 L CB -0.590 41.432 42.059 -0.061 0.000 0.899 646 L HN 0.302 nan 8.230 nan 0.000 0.434 647 E N -0.855 119.330 120.200 -0.024 0.000 2.150 647 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 647 E C 2.068 178.600 176.600 -0.113 0.000 0.985 647 E CA 1.175 57.527 56.400 -0.080 0.000 0.814 647 E CB -0.138 29.481 29.700 -0.135 0.000 0.752 647 E HN 0.479 nan 8.360 nan 0.000 0.466 648 Y N 1.417 121.689 120.300 -0.047 0.000 2.200 648 Y HA -0.188 4.362 4.550 -0.001 0.000 0.290 648 Y C 2.042 177.961 175.900 0.032 0.000 1.137 648 Y CA 1.215 59.293 58.100 -0.037 0.000 1.163 648 Y CB -0.166 38.176 38.460 -0.197 0.000 0.988 648 Y HN -0.016 nan 8.280 nan 0.000 0.518 649 D N 0.015 120.506 120.400 0.151 0.000 2.158 649 D HA -0.179 4.461 4.640 -0.001 0.000 0.197 649 D C 1.545 177.886 176.300 0.069 0.000 0.995 649 D CA 1.572 55.628 54.000 0.094 0.000 0.846 649 D CB -0.391 40.440 40.800 0.052 0.000 0.941 649 D HN 0.328 nan 8.370 nan 0.000 0.456 650 D N -0.513 119.912 120.400 0.041 0.000 2.218 650 D HA -0.085 4.554 4.640 -0.001 0.000 0.204 650 D C 2.185 178.496 176.300 0.018 0.000 0.976 650 D CA 0.249 54.257 54.000 0.013 0.000 0.853 650 D CB -0.038 40.754 40.800 -0.014 0.000 0.939 650 D HN 0.098 nan 8.370 nan 0.000 0.481 651 V N 1.258 121.205 119.914 0.056 0.000 2.237 651 V HA -0.239 3.881 4.120 -0.001 0.000 0.245 651 V C 2.550 178.671 176.094 0.044 0.000 1.046 651 V CA 1.918 64.251 62.300 0.054 0.000 1.007 651 V CB -0.987 30.920 31.823 0.139 0.000 0.638 651 V HN 0.193 nan 8.190 nan 0.000 0.445 652 A N 0.483 123.364 122.820 0.103 0.000 1.933 652 A HA -0.281 4.039 4.320 -0.001 0.000 0.218 652 A C 2.073 179.705 177.584 0.080 0.000 1.175 652 A CA 2.277 54.382 52.037 0.112 0.000 0.628 652 A CB -0.920 18.150 19.000 0.117 0.000 0.814 652 A HN 0.639 nan 8.150 nan 0.000 0.444 653 N N 0.402 119.127 118.700 0.041 0.000 2.043 653 N HA -0.173 4.567 4.740 -0.001 0.000 0.193 653 N C 1.174 176.662 175.510 -0.037 0.000 1.037 653 N CA 2.035 55.089 53.050 0.007 0.000 0.851 653 N CB -0.318 38.169 38.487 0.001 0.000 1.027 653 N HN 0.391 nan 8.380 nan 0.000 0.422 654 D N 0.076 120.442 120.400 -0.056 0.000 2.144 654 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 654 D C 1.917 178.093 176.300 -0.206 0.000 0.984 654 D CA 0.880 54.816 54.000 -0.107 0.000 0.834 654 D CB -0.307 40.430 40.800 -0.104 0.000 0.955 654 D HN 0.528 nan 8.370 nan 0.000 0.465 655 Q N 0.111 119.767 119.800 -0.239 0.000 2.050 655 Q HA -0.119 4.221 4.340 -0.001 0.000 0.202 655 Q C 2.327 178.214 176.000 -0.188 0.000 0.980 655 Q CA 0.891 56.447 55.803 -0.410 0.000 0.840 655 Q CB -0.032 28.608 28.738 -0.162 0.000 0.898 655 Q HN 0.182 nan 8.270 nan 0.000 0.424 656 R N 0.968 121.425 120.500 -0.072 0.000 2.081 656 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 656 R C 2.244 178.317 176.300 -0.378 0.000 1.131 656 R CA 1.315 57.212 56.100 -0.338 0.000 0.960 656 R CB -0.096 30.084 30.300 -0.200 0.000 0.856 656 R HN 0.110 nan 8.270 nan 0.000 0.436 657 R N -0.122 120.264 120.500 -0.190 0.000 2.091 657 R HA -0.138 4.202 4.340 -0.001 0.000 0.238 657 R C 2.184 178.437 176.300 -0.079 0.000 1.136 657 R CA 1.688 57.728 56.100 -0.099 0.000 0.959 657 R CB -0.273 29.987 30.300 -0.067 0.000 0.856 657 R HN 0.313 nan 8.270 nan 0.000 0.437 658 A N 0.593 123.349 122.820 -0.107 0.000 1.877 658 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 658 A C 2.022 179.598 177.584 -0.015 0.000 1.186 658 A CA 1.291 53.305 52.037 -0.038 0.000 0.620 658 A CB -0.466 18.518 19.000 -0.027 0.000 0.822 658 A HN 0.348 nan 8.150 nan 0.000 0.443 659 I N -1.776 118.739 120.570 -0.091 0.000 2.315 659 I HA -0.146 4.023 4.170 -0.001 0.000 0.248 659 I C 2.102 178.168 176.117 -0.085 0.000 1.117 659 I CA 1.138 62.320 61.300 -0.195 0.000 1.404 659 I CB -0.392 37.238 38.000 -0.617 0.000 1.071 659 I HN 0.400 nan 8.210 nan 0.000 0.419 660 Y N -0.353 119.769 120.300 -0.298 0.000 2.263 660 Y HA -0.119 4.431 4.550 -0.001 0.000 0.292 660 Y C 2.958 178.771 175.900 -0.144 0.000 1.130 660 Y CA 1.013 58.981 58.100 -0.219 0.000 1.179 660 Y CB -1.423 36.951 38.460 -0.143 0.000 0.998 660 Y HN 0.240 nan 8.280 nan 0.000 0.532 661 S N -0.268 115.460 115.700 0.046 0.000 2.356 661 S HA -0.275 4.195 4.470 -0.001 0.000 0.223 661 S C 2.149 176.727 174.600 -0.036 0.000 1.032 661 S CA 1.662 59.864 58.200 0.003 0.000 1.005 661 S CB -0.320 62.880 63.200 0.001 0.000 0.867 661 S HN 0.613 nan 8.310 nan 0.000 0.449 662 Q N 0.583 120.356 119.800 -0.046 0.000 2.077 662 Q HA -0.203 4.137 4.340 -0.001 0.000 0.206 662 Q C 2.445 178.382 176.000 -0.106 0.000 0.989 662 Q CA 1.746 57.506 55.803 -0.071 0.000 0.853 662 Q CB -0.266 28.428 28.738 -0.074 0.000 0.907 662 Q HN 0.590 nan 8.270 nan 0.000 0.418 663 R N -0.264 120.155 120.500 -0.135 0.000 2.075 663 R HA -0.122 4.218 4.340 -0.001 0.000 0.232 663 R C 1.924 178.108 176.300 -0.195 0.000 1.126 663 R CA 1.593 57.575 56.100 -0.197 0.000 0.963 663 R CB -0.089 30.046 30.300 -0.277 0.000 0.858 663 R HN 0.381 nan 8.270 nan 0.000 0.435 664 N N 0.822 119.422 118.700 -0.167 0.000 2.166 664 N HA -0.165 4.575 4.740 -0.001 0.000 0.186 664 N C 1.485 176.931 175.510 -0.107 0.000 1.019 664 N CA 1.279 54.242 53.050 -0.144 0.000 0.856 664 N CB -0.124 38.296 38.487 -0.112 0.000 0.993 664 N HN 0.376 nan 8.380 nan 0.000 0.426 665 E N 0.770 120.918 120.200 -0.087 0.000 2.070 665 E HA -0.133 4.217 4.350 -0.001 0.000 0.197 665 E C 2.082 178.632 176.600 -0.084 0.000 1.004 665 E CA 0.832 57.188 56.400 -0.072 0.000 0.805 665 E CB -0.085 29.579 29.700 -0.059 0.000 0.744 665 E HN 0.289 nan 8.360 nan 0.000 0.451 666 L N 0.089 121.249 121.223 -0.105 0.000 1.994 666 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 666 L C 2.500 179.297 176.870 -0.122 0.000 1.071 666 L CA 0.582 55.353 54.840 -0.116 0.000 0.745 666 L CB -0.413 41.561 42.059 -0.141 0.000 0.892 666 L HN 0.204 nan 8.230 nan 0.000 0.431 667 L N -0.039 121.096 121.223 -0.146 0.000 2.079 667 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 667 L C 1.897 178.715 176.870 -0.086 0.000 1.081 667 L CA 1.825 56.584 54.840 -0.135 0.000 0.752 667 L CB -0.659 41.299 42.059 -0.168 0.000 0.896 667 L HN 0.254 nan 8.230 nan 0.000 0.433 668 D N -1.376 118.977 120.400 -0.078 0.000 2.363 668 D HA 0.037 4.676 4.640 -0.001 0.000 0.220 668 D C 0.341 176.615 176.300 -0.043 0.000 0.994 668 D CA 0.304 54.271 54.000 -0.054 0.000 0.890 668 D CB 0.346 41.115 40.800 -0.051 0.000 0.906 668 D HN 0.109 nan 8.370 nan 0.000 0.530 669 V N 0.168 120.049 119.914 -0.055 0.000 2.667 669 V HA 0.115 4.235 4.120 -0.001 0.000 0.308 669 V C 1.022 177.074 176.094 -0.070 0.000 1.048 669 V CA -0.233 62.034 62.300 -0.054 0.000 0.928 669 V CB 2.204 33.991 31.823 -0.059 0.000 1.004 669 V HN -0.103 nan 8.190 nan 0.000 0.444 670 S N 1.999 117.656 115.700 -0.072 0.000 2.486 670 S HA 0.102 4.572 4.470 -0.001 0.000 0.220 670 S C 0.348 174.811 174.600 -0.228 0.000 1.011 670 S CA 0.240 58.361 58.200 -0.133 0.000 0.921 670 S CB 0.021 63.198 63.200 -0.038 0.000 0.785 670 S HN 0.826 nan 8.310 nan 0.000 0.517 671 D N 0.699 121.023 120.400 -0.127 0.000 2.542 671 D HA 0.230 4.870 4.640 -0.001 0.000 0.252 671 D C -0.516 175.742 176.300 -0.069 0.000 1.222 671 D CA -0.174 53.768 54.000 -0.097 0.000 0.895 671 D CB 1.967 42.736 40.800 -0.051 0.000 1.207 671 D HN -0.066 nan 8.370 nan 0.000 0.558 672 V N 3.481 123.356 119.914 -0.065 0.000 3.596 672 V HA -0.035 4.084 4.120 -0.001 0.000 0.289 672 V C 1.840 177.921 176.094 -0.022 0.000 1.336 672 V CA 0.538 62.809 62.300 -0.048 0.000 1.137 672 V CB 0.044 31.829 31.823 -0.064 0.000 0.966 672 V HN 0.551 nan 8.190 nan 0.000 0.428 673 S N 0.475 116.173 115.700 -0.003 0.000 2.412 673 S HA -0.349 4.121 4.470 -0.001 0.000 0.246 673 S C 1.966 176.568 174.600 0.004 0.000 1.073 673 S CA 2.578 60.788 58.200 0.016 0.000 1.186 673 S CB -0.317 62.895 63.200 0.020 0.000 1.084 673 S HN 0.809 nan 8.310 nan 0.000 0.434 674 E N 0.137 120.334 120.200 -0.005 0.000 2.038 674 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 674 E C 2.130 178.721 176.600 -0.015 0.000 1.000 674 E CA 1.760 58.155 56.400 -0.008 0.000 0.803 674 E CB -0.458 29.235 29.700 -0.011 0.000 0.750 674 E HN 0.517 nan 8.360 nan 0.000 0.448 675 T N 2.084 116.624 114.554 -0.023 0.000 2.665 675 T HA -0.175 4.175 4.350 -0.001 0.000 0.268 675 T C 1.982 176.661 174.700 -0.034 0.000 1.035 675 T CA 1.443 63.525 62.100 -0.031 0.000 1.151 675 T CB -0.165 68.679 68.868 -0.041 0.000 0.862 675 T HN 0.130 nan 8.240 nan 0.000 0.438 676 I N 2.272 122.822 120.570 -0.033 0.000 2.091 676 I HA -0.177 3.993 4.170 -0.001 0.000 0.239 676 I C 2.269 178.357 176.117 -0.049 0.000 1.061 676 I CA 1.384 62.656 61.300 -0.047 0.000 1.317 676 I CB -1.467 36.510 38.000 -0.037 0.000 1.031 676 I HN 0.239 nan 8.210 nan 0.000 0.401 677 N N 0.356 119.039 118.700 -0.029 0.000 2.094 677 N HA -0.184 4.555 4.740 -0.001 0.000 0.191 677 N C 2.096 177.598 175.510 -0.013 0.000 1.023 677 N CA 1.749 54.788 53.050 -0.019 0.000 0.857 677 N CB -0.409 38.075 38.487 -0.004 0.000 1.013 677 N HN 0.300 nan 8.380 nan 0.000 0.426 678 S N 0.710 116.401 115.700 -0.015 0.000 2.362 678 S HA 0.047 4.517 4.470 -0.001 0.000 0.221 678 S C 1.920 176.511 174.600 -0.015 0.000 1.032 678 S CA 0.573 58.765 58.200 -0.012 0.000 0.973 678 S CB -0.127 63.064 63.200 -0.016 0.000 0.849 678 S HN 0.437 nan 8.310 nan 0.000 0.465 679 I N -0.520 120.033 120.570 -0.028 0.000 2.676 679 I HA 0.072 4.242 4.170 -0.001 0.000 0.259 679 I C 2.342 178.434 176.117 -0.042 0.000 1.194 679 I CA 0.993 62.272 61.300 -0.035 0.000 1.473 679 I CB -0.420 37.552 38.000 -0.047 0.000 1.096 679 I HN 0.184 nan 8.210 nan 0.000 0.443 680 R N 1.614 122.097 120.500 -0.028 0.000 2.120 680 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 680 R C 1.957 178.326 176.300 0.116 0.000 1.123 680 R CA 1.859 57.967 56.100 0.013 0.000 0.975 680 R CB -0.083 30.252 30.300 0.059 0.000 0.866 680 R HN 0.544 nan 8.270 nan 0.000 0.446 681 E N 0.071 120.315 120.200 0.073 0.000 2.076 681 E HA -0.126 4.223 4.350 -0.001 0.000 0.190 681 E C 1.542 178.172 176.600 0.051 0.000 0.979 681 E CA 1.114 57.563 56.400 0.081 0.000 0.807 681 E CB 0.026 29.745 29.700 0.032 0.000 0.761 681 E HN 0.373 nan 8.360 nan 0.000 0.454 682 D N 0.614 121.022 120.400 0.013 0.000 2.149 682 D HA -0.135 4.505 4.640 -0.001 0.000 0.198 682 D C 2.042 178.334 176.300 -0.012 0.000 0.990 682 D CA 0.826 54.828 54.000 0.002 0.000 0.839 682 D CB -0.205 40.592 40.800 -0.006 0.000 0.948 682 D HN 0.036 nan 8.370 nan 0.000 0.460 683 V N 0.412 120.283 119.914 -0.072 0.000 2.379 683 V HA -0.176 3.944 4.120 -0.001 0.000 0.245 683 V C 2.100 178.039 176.094 -0.259 0.000 1.044 683 V CA 1.058 63.262 62.300 -0.160 0.000 1.036 683 V CB -0.448 31.196 31.823 -0.298 0.000 0.664 683 V HN 0.014 nan 8.190 nan 0.000 0.453 684 F N 0.718 120.578 119.950 -0.150 0.000 2.146 684 F HA -0.113 4.414 4.527 -0.001 0.000 0.298 684 F C 2.389 178.133 175.800 -0.095 0.000 1.096 684 F CA 1.895 59.781 58.000 -0.190 0.000 1.275 684 F CB -0.513 38.352 39.000 -0.225 0.000 1.008 684 F HN 0.046 nan 8.300 nan 0.000 0.480 685 K N 0.617 121.074 120.400 0.095 0.000 1.991 685 K HA -0.204 4.116 4.320 -0.001 0.000 0.212 685 K C 2.330 178.952 176.600 0.035 0.000 1.049 685 K CA 1.458 57.773 56.287 0.047 0.000 0.932 685 K CB -0.500 32.018 32.500 0.029 0.000 0.717 685 K HN 0.170 nan 8.250 nan 0.000 0.441 686 A N 0.725 123.564 122.820 0.032 0.000 1.927 686 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 686 A C 2.231 179.854 177.584 0.066 0.000 1.185 686 A CA 2.565 54.625 52.037 0.038 0.000 0.639 686 A CB -1.204 17.826 19.000 0.049 0.000 0.820 686 A HN 0.553 nan 8.150 nan 0.000 0.451 687 T N 0.006 114.620 114.554 0.101 0.000 2.770 687 T HA -0.029 4.320 4.350 -0.001 0.000 0.263 687 T C 1.814 176.651 174.700 0.228 0.000 1.039 687 T CA 1.436 63.652 62.100 0.194 0.000 1.142 687 T CB -0.389 68.579 68.868 0.166 0.000 0.868 687 T HN 0.437 nan 8.240 nan 0.000 0.435 688 I N 1.503 122.164 120.570 0.152 0.000 2.226 688 I HA -0.173 3.997 4.170 -0.001 0.000 0.245 688 I C 2.245 178.397 176.117 0.059 0.000 1.100 688 I CA 1.121 62.494 61.300 0.122 0.000 1.374 688 I CB -0.443 37.575 38.000 0.029 0.000 1.057 688 I HN 0.096 nan 8.210 nan 0.000 0.413 689 D N 1.253 121.659 120.400 0.010 0.000 2.158 689 D HA -0.195 4.445 4.640 -0.001 0.000 0.197 689 D C 2.246 178.503 176.300 -0.072 0.000 0.995 689 D CA 1.568 55.547 54.000 -0.035 0.000 0.846 689 D CB -0.224 40.561 40.800 -0.025 0.000 0.941 689 D HN 0.380 nan 8.370 nan 0.000 0.456 690 A N -0.707 122.044 122.820 -0.114 0.000 2.070 690 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 690 A C 1.372 178.594 177.584 -0.602 0.000 1.159 690 A CA 1.187 53.013 52.037 -0.351 0.000 0.656 690 A CB -0.498 18.231 19.000 -0.451 0.000 0.800 690 A HN 0.328 nan 8.150 nan 0.000 0.453 691 Y N -1.861 118.434 120.300 -0.008 0.000 2.526 691 Y HA 0.432 4.982 4.550 -0.001 0.000 0.265 691 Y C 0.470 176.342 175.900 -0.047 0.000 1.092 691 Y CA -0.378 57.720 58.100 -0.003 0.000 1.277 691 Y CB 0.637 39.099 38.460 0.004 0.000 1.228 691 Y HN 0.041 nan 8.280 nan 0.000 0.507 692 I N 2.814 123.356 120.570 -0.047 0.000 2.502 692 I HA 0.302 4.471 4.170 -0.001 0.000 0.276 692 I C -2.740 173.283 176.117 -0.157 0.000 1.057 692 I CA -2.177 58.935 61.300 -0.313 0.000 1.163 692 I CB 1.303 38.887 38.000 -0.693 0.000 1.288 692 I HN -0.258 nan 8.210 nan 0.000 0.479 693 P HA 0.105 nan 4.420 nan 0.000 0.263 693 P C -2.435 174.888 177.300 0.038 0.000 1.195 693 P CA -0.993 62.124 63.100 0.028 0.000 0.762 693 P CB -0.161 31.591 31.700 0.086 0.000 0.799 694 P HA 0.000 nan 4.420 nan 0.000 0.263 694 P C -0.041 177.305 177.300 0.076 0.000 1.195 694 P CA 0.661 63.776 63.100 0.025 0.000 0.762 694 P CB 0.128 31.834 31.700 0.012 0.000 0.799 695 Q N -0.750 119.119 119.800 0.114 0.000 2.466 695 Q HA -0.155 4.184 4.340 -0.001 0.000 0.248 695 Q C -0.009 176.095 176.000 0.173 0.000 0.791 695 Q CA 0.844 56.731 55.803 0.140 0.000 1.225 695 Q CB -2.003 26.791 28.738 0.093 0.000 1.418 695 Q HN 0.687 nan 8.270 nan 0.000 0.662 696 S N -0.849 115.004 115.700 0.254 0.000 2.672 696 S HA 0.709 5.178 4.470 -0.001 0.000 0.276 696 S C 0.552 175.357 174.600 0.342 0.000 1.207 696 S CA -1.067 57.304 58.200 0.284 0.000 1.002 696 S CB 1.458 64.844 63.200 0.309 0.000 0.998 696 S HN 0.300 nan 8.310 nan 0.000 0.542 697 L N 0.896 122.188 121.223 0.116 0.000 2.470 697 L HA 0.251 4.590 4.340 -0.001 0.000 0.243 697 L C 1.901 178.409 176.870 -0.604 0.000 1.227 697 L CA -0.357 54.411 54.840 -0.120 0.000 0.824 697 L CB 0.107 42.107 42.059 -0.097 0.000 1.175 697 L HN 0.833 nan 8.230 nan 0.000 0.503 698 E N 0.107 119.783 120.200 -0.873 0.000 2.299 698 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 698 E C 1.587 177.732 176.600 -0.759 0.000 0.998 698 E CA 0.572 55.999 56.400 -1.621 0.000 0.851 698 E CB 0.181 29.287 29.700 -0.990 0.000 0.795 698 E HN 0.628 nan 8.360 nan 0.000 0.492 699 E N 1.050 121.021 120.200 -0.381 0.000 2.265 699 E HA -0.178 4.172 4.350 -0.001 0.000 0.196 699 E C 1.588 178.161 176.600 -0.045 0.000 0.996 699 E CA 0.835 57.141 56.400 -0.157 0.000 0.832 699 E CB 0.081 29.722 29.700 -0.098 0.000 0.756 699 E HN 0.106 nan 8.360 nan 0.000 0.491 700 M N 0.104 119.701 119.600 -0.005 0.000 2.556 700 M HA 0.087 4.566 4.480 -0.001 0.000 0.245 700 M C -0.271 176.257 176.300 0.381 0.000 1.128 700 M CA 0.184 55.593 55.300 0.181 0.000 1.069 700 M CB -0.672 32.066 32.600 0.231 0.000 1.469 700 M HN 0.085 nan 8.290 nan 0.000 0.494 701 W N 1.839 123.174 121.300 0.060 0.000 2.218 701 W HA 0.268 4.927 4.660 -0.001 0.000 0.326 701 W C 0.207 176.779 176.519 0.088 0.000 1.276 701 W CA -1.133 56.260 57.345 0.079 0.000 1.210 701 W CB -0.176 29.328 29.460 0.074 0.000 1.143 701 W HN 0.093 nan 8.180 nan 0.000 0.563 702 D N 2.891 123.495 120.400 0.340 0.000 2.514 702 D HA 0.181 4.821 4.640 -0.001 0.000 0.267 702 D C 0.974 177.396 176.300 0.202 0.000 1.165 702 D CA -0.171 53.987 54.000 0.264 0.000 0.958 702 D CB 0.149 41.141 40.800 0.319 0.000 0.992 702 D HN 0.019 nan 8.370 nan 0.000 0.506 703 I N 2.773 123.440 120.570 0.163 0.000 2.286 703 I HA -0.029 4.141 4.170 -0.001 0.000 0.245 703 I C -0.735 175.369 176.117 -0.021 0.000 1.104 703 I CA 0.337 61.682 61.300 0.076 0.000 1.397 703 I CB -1.947 36.123 38.000 0.116 0.000 1.072 703 I HN 0.304 nan 8.210 nan 0.000 0.417 704 P HA -0.115 nan 4.420 nan 0.000 0.216 704 P C 1.779 179.031 177.300 -0.080 0.000 1.150 704 P CA 1.696 64.777 63.100 -0.032 0.000 0.837 704 P CB -0.233 31.469 31.700 0.004 0.000 0.786 705 G N -0.186 108.573 108.800 -0.069 0.000 2.422 705 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.218 705 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.218 705 G C 1.430 175.873 174.900 -0.762 0.000 1.146 705 G CA 0.500 45.487 45.100 -0.189 0.000 0.769 705 G HN 0.234 nan 8.290 nan 0.000 0.547 706 L N 0.077 120.848 121.223 -0.754 0.000 2.109 706 L HA 0.136 4.475 4.340 -0.001 0.000 0.207 706 L C 2.748 179.416 176.870 -0.336 0.000 1.086 706 L CA 1.665 56.070 54.840 -0.725 0.000 0.760 706 L CB -0.505 41.368 42.059 -0.310 0.000 0.910 706 L HN 0.268 nan 8.230 nan 0.000 0.437 707 Q N -0.790 118.873 119.800 -0.228 0.000 2.079 707 Q HA -0.204 4.135 4.340 -0.001 0.000 0.200 707 Q C 2.018 177.952 176.000 -0.110 0.000 0.974 707 Q CA 1.646 57.357 55.803 -0.153 0.000 0.840 707 Q CB 0.073 28.730 28.738 -0.136 0.000 0.898 707 Q HN 0.422 nan 8.270 nan 0.000 0.430 708 E N 0.237 120.368 120.200 -0.115 0.000 2.072 708 E HA -0.165 4.185 4.350 -0.001 0.000 0.191 708 E C 1.781 178.362 176.600 -0.031 0.000 0.985 708 E CA 0.956 57.319 56.400 -0.061 0.000 0.801 708 E CB -0.100 29.572 29.700 -0.046 0.000 0.750 708 E HN 0.091 nan 8.360 nan 0.000 0.452 709 R N 0.348 120.805 120.500 -0.072 0.000 2.096 709 R HA -0.005 4.334 4.340 -0.001 0.000 0.235 709 R C 2.139 178.553 176.300 0.190 0.000 1.127 709 R CA 0.916 57.047 56.100 0.051 0.000 0.968 709 R CB -0.421 29.898 30.300 0.031 0.000 0.861 709 R HN 0.178 nan 8.270 nan 0.000 0.440 710 L N 0.090 121.406 121.223 0.156 0.000 2.083 710 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 710 L C 2.345 179.343 176.870 0.212 0.000 1.083 710 L CA 1.606 56.611 54.840 0.274 0.000 0.752 710 L CB -0.390 41.743 42.059 0.124 0.000 0.899 710 L HN 0.199 nan 8.230 nan 0.000 0.433 711 K N -0.134 120.320 120.400 0.090 0.000 2.001 711 K HA -0.124 4.196 4.320 -0.001 0.000 0.208 711 K C 1.986 178.614 176.600 0.047 0.000 1.048 711 K CA 1.508 57.828 56.287 0.055 0.000 0.932 711 K CB -0.132 32.376 32.500 0.013 0.000 0.715 711 K HN 0.232 nan 8.250 nan 0.000 0.437 712 N N 1.198 119.917 118.700 0.031 0.000 2.058 712 N HA -0.137 4.603 4.740 -0.001 0.000 0.191 712 N C 1.112 176.587 175.510 -0.058 0.000 1.037 712 N CA 1.532 54.582 53.050 0.000 0.000 0.848 712 N CB -0.324 38.168 38.487 0.009 0.000 1.021 712 N HN 0.156 nan 8.380 nan 0.000 0.422 713 D N -1.549 118.780 120.400 -0.118 0.000 2.354 713 D HA 0.136 4.775 4.640 -0.001 0.000 0.209 713 D C 0.279 176.064 176.300 -0.859 0.000 1.015 713 D CA 0.333 54.051 54.000 -0.470 0.000 0.867 713 D CB 0.156 40.640 40.800 -0.527 0.000 0.933 713 D HN 0.243 nan 8.370 nan 0.000 0.520 714 F N -0.631 119.322 119.950 0.005 0.000 2.915 714 F HA 0.152 4.678 4.527 -0.001 0.000 0.347 714 F C 0.328 176.161 175.800 0.054 0.000 1.104 714 F CA -0.428 57.584 58.000 0.021 0.000 1.126 714 F CB 0.723 39.767 39.000 0.074 0.000 1.145 714 F HN -0.311 nan 8.300 nan 0.000 0.541 715 D N 1.460 121.944 120.400 0.140 0.000 2.907 715 D HA -0.189 4.450 4.640 -0.001 0.000 0.226 715 D C -0.839 175.532 176.300 0.117 0.000 1.141 715 D CA 0.523 54.583 54.000 0.099 0.000 0.779 715 D CB -1.049 39.806 40.800 0.091 0.000 1.095 715 D HN 0.219 nan 8.370 nan 0.000 0.430 716 L N 1.554 122.860 121.223 0.138 0.000 2.427 716 L HA 0.411 4.750 4.340 -0.001 0.000 0.264 716 L C -0.972 175.928 176.870 0.051 0.000 0.989 716 L CA -0.600 54.310 54.840 0.116 0.000 0.865 716 L CB 1.692 43.859 42.059 0.179 0.000 1.209 716 L HN -0.073 nan 8.230 nan 0.000 0.430 717 D N 4.841 125.248 120.400 0.012 0.000 2.477 717 D HA 0.397 5.037 4.640 -0.001 0.000 0.239 717 D C -1.117 175.130 176.300 -0.088 0.000 1.102 717 D CA -0.023 53.956 54.000 -0.034 0.000 0.901 717 D CB 0.418 41.205 40.800 -0.021 0.000 1.026 717 D HN 0.381 nan 8.370 nan 0.000 0.515 718 L N 4.327 125.446 121.223 -0.174 0.000 2.334 718 L HA 0.507 4.846 4.340 -0.001 0.000 0.276 718 L C -1.825 174.731 176.870 -0.522 0.000 1.014 718 L CA -2.026 52.606 54.840 -0.346 0.000 0.815 718 L CB 2.213 44.014 42.059 -0.431 0.000 1.268 718 L HN 0.231 nan 8.230 nan 0.000 0.428 719 P HA 0.191 nan 4.420 nan 0.000 0.220 719 P C 0.974 177.742 177.300 -0.886 0.000 1.778 719 P CA -0.065 62.676 63.100 -0.598 0.000 0.912 719 P CB -0.028 31.451 31.700 -0.370 0.000 1.861 720 I N 0.443 120.511 120.570 -0.837 0.000 2.208 720 I HA -0.272 3.897 4.170 -0.001 0.000 0.245 720 I C 2.453 178.465 176.117 -0.174 0.000 1.097 720 I CA 1.518 62.438 61.300 -0.632 0.000 1.363 720 I CB -0.802 36.995 38.000 -0.338 0.000 1.051 720 I HN 0.071 nan 8.210 nan 0.000 0.413 721 A N 0.867 123.606 122.820 -0.134 0.000 1.948 721 A HA -0.258 4.062 4.320 -0.001 0.000 0.220 721 A C 2.205 179.798 177.584 0.015 0.000 1.177 721 A CA 2.086 54.109 52.037 -0.024 0.000 0.636 721 A CB -0.642 18.337 19.000 -0.035 0.000 0.815 721 A HN 0.567 nan 8.150 nan 0.000 0.449 722 E N -1.582 118.599 120.200 -0.032 0.000 2.158 722 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 722 E C 1.798 178.516 176.600 0.197 0.000 0.982 722 E CA 0.700 57.129 56.400 0.049 0.000 0.823 722 E CB -0.212 29.499 29.700 0.019 0.000 0.766 722 E HN 0.831 nan 8.360 nan 0.000 0.468 723 W N 1.501 122.817 121.300 0.026 0.000 2.354 723 W HA -0.072 4.588 4.660 -0.001 0.000 0.315 723 W C 2.109 178.653 176.519 0.042 0.000 1.206 723 W CA 0.564 57.927 57.345 0.029 0.000 1.290 723 W CB -1.057 28.419 29.460 0.026 0.000 1.152 723 W HN 0.058 nan 8.180 nan 0.000 0.489 724 L N 0.181 121.597 121.223 0.321 0.000 2.017 724 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 724 L C 2.111 179.064 176.870 0.139 0.000 1.073 724 L CA 2.219 57.190 54.840 0.219 0.000 0.745 724 L CB -1.202 40.983 42.059 0.209 0.000 0.894 724 L HN 0.035 nan 8.230 nan 0.000 0.432 725 D N -0.479 119.991 120.400 0.118 0.000 2.310 725 D HA -0.178 4.462 4.640 -0.001 0.000 0.212 725 D C 1.960 178.304 176.300 0.074 0.000 0.965 725 D CA 1.098 55.144 54.000 0.076 0.000 0.879 725 D CB 0.159 40.994 40.800 0.058 0.000 0.921 725 D HN 0.184 nan 8.370 nan 0.000 0.510 726 K N -0.166 120.294 120.400 0.101 0.000 2.099 726 K HA 0.030 4.350 4.320 -0.001 0.000 0.203 726 K C 0.346 176.985 176.600 0.064 0.000 1.047 726 K CA 0.682 57.018 56.287 0.082 0.000 0.963 726 K CB 0.172 32.731 32.500 0.098 0.000 0.759 726 K HN 0.279 nan 8.250 nan 0.000 0.451 727 E N 2.138 122.381 120.200 0.072 0.000 2.063 727 E HA 0.127 4.477 4.350 -0.001 0.000 0.265 727 E C -2.432 174.203 176.600 0.058 0.000 0.919 727 E CA -2.153 54.276 56.400 0.048 0.000 0.756 727 E CB 1.135 30.850 29.700 0.025 0.000 1.120 727 E HN 0.003 nan 8.360 nan 0.000 0.414 728 P HA -0.135 nan 4.420 nan 0.000 0.231 728 P C 0.548 177.875 177.300 0.045 0.000 1.154 728 P CA 0.914 64.037 63.100 0.038 0.000 0.762 728 P CB 0.341 32.054 31.700 0.022 0.000 0.790 729 E N -1.174 119.055 120.200 0.049 0.000 2.318 729 E HA -0.047 4.303 4.350 -0.001 0.000 0.193 729 E C 1.701 178.367 176.600 0.111 0.000 0.998 729 E CA -0.264 56.170 56.400 0.056 0.000 0.859 729 E CB -0.290 29.430 29.700 0.033 0.000 0.812 729 E HN 0.051 nan 8.360 nan 0.000 0.492 730 L N 1.753 123.048 121.223 0.120 0.000 1.958 730 L HA -0.222 4.118 4.340 -0.001 0.000 0.238 730 L C 0.621 177.673 176.870 0.304 0.000 1.092 730 L CA 2.470 57.403 54.840 0.155 0.000 0.826 730 L CB -1.061 41.083 42.059 0.141 0.000 0.909 730 L HN 0.537 nan 8.230 nan 0.000 0.436 731 H N -1.730 117.442 119.070 0.170 0.000 4.778 731 H HA -0.156 4.399 4.556 -0.001 0.000 0.279 731 H C 0.884 176.343 175.328 0.219 0.000 0.581 731 H CA 0.741 56.925 56.048 0.227 0.000 0.739 731 H CB -1.043 28.800 29.762 0.134 0.000 0.956 731 H HN 0.607 nan 8.280 nan 0.000 0.315 732 E N 1.792 122.055 120.200 0.104 0.000 2.095 732 E HA -0.329 4.021 4.350 -0.001 0.000 0.212 732 E C 1.801 178.170 176.600 -0.384 0.000 1.044 732 E CA 2.231 58.531 56.400 -0.166 0.000 0.857 732 E CB -0.111 29.579 29.700 -0.016 0.000 0.764 732 E HN 0.681 nan 8.360 nan 0.000 0.462 733 E N -1.058 118.800 120.200 -0.570 0.000 2.058 733 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 733 E C 2.027 178.398 176.600 -0.381 0.000 0.997 733 E CA 2.219 58.410 56.400 -0.348 0.000 0.801 733 E CB -0.019 29.730 29.700 0.082 0.000 0.746 733 E HN 0.493 nan 8.360 nan 0.000 0.450 734 T N -0.282 113.885 114.554 -0.644 0.000 2.951 734 T HA -0.067 4.283 4.350 -0.001 0.000 0.268 734 T C 1.964 176.531 174.700 -0.222 0.000 1.073 734 T CA 0.449 62.390 62.100 -0.266 0.000 1.134 734 T CB -0.205 68.600 68.868 -0.104 0.000 0.884 734 T HN 0.112 nan 8.240 nan 0.000 0.479 735 L N 0.551 121.637 121.223 -0.228 0.000 1.994 735 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 735 L C 3.114 179.925 176.870 -0.099 0.000 1.071 735 L CA 1.408 56.184 54.840 -0.107 0.000 0.745 735 L CB -0.261 41.763 42.059 -0.058 0.000 0.892 735 L HN 0.165 nan 8.230 nan 0.000 0.431 736 R N -0.213 120.200 120.500 -0.145 0.000 2.119 736 R HA -0.259 4.081 4.340 -0.001 0.000 0.246 736 R C 2.054 178.281 176.300 -0.122 0.000 1.146 736 R CA 2.165 58.192 56.100 -0.122 0.000 0.962 736 R CB -0.264 29.964 30.300 -0.120 0.000 0.863 736 R HN 0.509 nan 8.270 nan 0.000 0.442 737 E N -0.500 119.622 120.200 -0.131 0.000 2.112 737 E HA -0.070 4.280 4.350 -0.001 0.000 0.190 737 E C 2.112 178.624 176.600 -0.147 0.000 0.979 737 E CA 0.446 56.770 56.400 -0.126 0.000 0.814 737 E CB 0.097 29.735 29.700 -0.103 0.000 0.762 737 E HN 0.189 nan 8.360 nan 0.000 0.460 738 R N 0.506 120.906 120.500 -0.167 0.000 2.083 738 R HA -0.145 4.194 4.340 -0.001 0.000 0.237 738 R C 2.369 178.603 176.300 -0.110 0.000 1.137 738 R CA 1.240 57.218 56.100 -0.203 0.000 0.951 738 R CB -0.484 29.563 30.300 -0.421 0.000 0.851 738 R HN 0.235 nan 8.270 nan 0.000 0.434 739 I N 0.762 121.296 120.570 -0.060 0.000 2.127 739 I HA -0.324 3.845 4.170 -0.001 0.000 0.241 739 I C 2.495 178.382 176.117 -0.383 0.000 1.075 739 I CA 0.928 62.157 61.300 -0.119 0.000 1.334 739 I CB -0.402 37.518 38.000 -0.133 0.000 1.040 739 I HN 0.114 nan 8.210 nan 0.000 0.405 740 L N 1.362 122.327 121.223 -0.431 0.000 1.978 740 L HA -0.273 4.067 4.340 -0.001 0.000 0.218 740 L C 2.654 179.336 176.870 -0.314 0.000 1.075 740 L CA 2.394 56.938 54.840 -0.494 0.000 0.767 740 L CB -0.964 40.928 42.059 -0.279 0.000 0.890 740 L HN 0.256 nan 8.230 nan 0.000 0.434 741 A N -1.403 121.301 122.820 -0.192 0.000 1.915 741 A HA -0.364 3.955 4.320 -0.001 0.000 0.220 741 A C 2.226 179.753 177.584 -0.096 0.000 1.198 741 A CA 2.362 54.326 52.037 -0.121 0.000 0.647 741 A CB -0.812 18.126 19.000 -0.103 0.000 0.825 741 A HN 0.652 nan 8.150 nan 0.000 0.456 742 Q N -0.104 119.638 119.800 -0.096 0.000 2.119 742 Q HA -0.101 4.238 4.340 -0.001 0.000 0.201 742 Q C 2.515 178.486 176.000 -0.048 0.000 0.972 742 Q CA 1.926 57.708 55.803 -0.036 0.000 0.847 742 Q CB -0.331 28.428 28.738 0.034 0.000 0.903 742 Q HN 0.896 nan 8.270 nan 0.000 0.433 743 S N -0.190 115.415 115.700 -0.157 0.000 2.359 743 S HA -0.185 4.284 4.470 -0.001 0.000 0.224 743 S C 1.949 176.551 174.600 0.004 0.000 1.035 743 S CA 1.175 59.307 58.200 -0.114 0.000 1.018 743 S CB -0.586 62.392 63.200 -0.370 0.000 0.876 743 S HN 0.358 nan 8.310 nan 0.000 0.448 744 I N 2.191 122.740 120.570 -0.035 0.000 2.127 744 I HA -0.211 3.958 4.170 -0.001 0.000 0.241 744 I C 2.912 179.087 176.117 0.096 0.000 1.075 744 I CA 1.990 63.319 61.300 0.049 0.000 1.334 744 I CB -0.486 37.514 38.000 0.001 0.000 1.040 744 I HN 0.395 nan 8.210 nan 0.000 0.405 745 E N 0.129 120.356 120.200 0.045 0.000 2.118 745 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 745 E C 2.223 178.862 176.600 0.065 0.000 0.992 745 E CA 1.396 57.823 56.400 0.045 0.000 0.804 745 E CB -0.138 29.575 29.700 0.022 0.000 0.741 745 E HN 0.307 nan 8.360 nan 0.000 0.458 746 V N 0.493 120.455 119.914 0.080 0.000 2.490 746 V HA -0.265 3.855 4.120 -0.001 0.000 0.250 746 V C 1.930 178.104 176.094 0.135 0.000 1.061 746 V CA 1.784 64.140 62.300 0.093 0.000 1.064 746 V CB -0.509 31.375 31.823 0.102 0.000 0.670 746 V HN 0.333 nan 8.190 nan 0.000 0.461 747 Y N 0.624 120.945 120.300 0.036 0.000 2.206 747 Y HA -0.194 4.356 4.550 -0.001 0.000 0.292 747 Y C 2.740 178.660 175.900 0.033 0.000 1.123 747 Y CA 1.668 59.797 58.100 0.047 0.000 1.142 747 Y CB -0.009 38.489 38.460 0.063 0.000 1.006 747 Y HN 0.220 nan 8.280 nan 0.000 0.518 748 Q N 0.099 119.943 119.800 0.074 0.000 2.135 748 Q HA -0.272 4.067 4.340 -0.001 0.000 0.204 748 Q C 2.318 178.280 176.000 -0.065 0.000 0.981 748 Q CA 1.773 57.564 55.803 -0.021 0.000 0.856 748 Q CB -0.275 28.488 28.738 0.041 0.000 0.902 748 Q HN 0.463 nan 8.270 nan 0.000 0.425 749 R N 1.339 121.819 120.500 -0.033 0.000 2.083 749 R HA -0.171 4.168 4.340 -0.001 0.000 0.237 749 R C 1.874 178.129 176.300 -0.074 0.000 1.137 749 R CA 1.635 57.712 56.100 -0.038 0.000 0.951 749 R CB 0.050 30.346 30.300 -0.008 0.000 0.851 749 R HN 0.094 nan 8.270 nan 0.000 0.434 750 K N 0.239 120.574 120.400 -0.109 0.000 2.057 750 K HA -0.203 4.117 4.320 -0.001 0.000 0.207 750 K C 2.111 178.595 176.600 -0.193 0.000 1.049 750 K CA 1.728 57.928 56.287 -0.145 0.000 0.931 750 K CB -0.150 32.259 32.500 -0.151 0.000 0.714 750 K HN 0.351 nan 8.250 nan 0.000 0.440 751 E N 1.550 121.588 120.200 -0.270 0.000 2.085 751 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 751 E C 1.634 178.162 176.600 -0.120 0.000 0.994 751 E CA 1.448 57.716 56.400 -0.219 0.000 0.801 751 E CB 0.119 29.673 29.700 -0.243 0.000 0.743 751 E HN 0.282 nan 8.360 nan 0.000 0.453 752 E N -0.292 119.852 120.200 -0.094 0.000 2.160 752 E HA -0.183 4.167 4.350 -0.001 0.000 0.195 752 E C 2.112 178.678 176.600 -0.056 0.000 0.991 752 E CA 1.254 57.619 56.400 -0.059 0.000 0.810 752 E CB 0.115 29.789 29.700 -0.042 0.000 0.742 752 E HN 0.180 nan 8.360 nan 0.000 0.466 753 V N 0.240 120.113 119.914 -0.068 0.000 2.379 753 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 753 V C 2.061 178.117 176.094 -0.062 0.000 1.044 753 V CA 1.243 63.507 62.300 -0.061 0.000 1.036 753 V CB 0.114 31.898 31.823 -0.064 0.000 0.664 753 V HN 0.159 nan 8.190 nan 0.000 0.453 754 V N -1.231 118.635 119.914 -0.079 0.000 2.795 754 V HA 0.525 4.645 4.120 -0.001 0.000 0.243 754 V C 0.879 176.942 176.094 -0.052 0.000 1.069 754 V CA 1.344 63.598 62.300 -0.077 0.000 1.089 754 V CB 0.441 32.195 31.823 -0.115 0.000 0.756 754 V HN 0.785 nan 8.190 nan 0.000 0.471 755 G N -1.562 107.208 108.800 -0.050 0.000 2.617 755 G HA2 0.200 4.160 3.960 -0.001 0.000 0.686 755 G HA3 0.200 4.160 3.960 -0.001 0.000 0.686 755 G C 0.350 175.240 174.900 -0.016 0.000 1.214 755 G CA -0.285 44.798 45.100 -0.027 0.000 0.796 755 G HN 0.828 nan 8.290 nan 0.000 0.654 756 A N 0.235 123.055 122.820 -0.001 0.000 1.851 756 A HA 0.018 4.338 4.320 -0.001 0.000 0.216 756 A C 2.039 179.656 177.584 0.055 0.000 1.195 756 A CA 2.423 54.469 52.037 0.016 0.000 0.622 756 A CB -0.595 18.416 19.000 0.019 0.000 0.831 756 A HN 0.912 nan 8.150 nan 0.000 0.444 757 E N -1.551 118.692 120.200 0.072 0.000 2.085 757 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 757 E C 1.967 178.682 176.600 0.192 0.000 0.994 757 E CA 1.596 58.083 56.400 0.144 0.000 0.801 757 E CB -0.179 29.593 29.700 0.120 0.000 0.743 757 E HN 0.529 nan 8.360 nan 0.000 0.453 758 M N -0.066 119.596 119.600 0.105 0.000 2.159 758 M HA -0.145 4.334 4.480 -0.001 0.000 0.263 758 M C 1.958 178.352 176.300 0.155 0.000 1.063 758 M CA 1.326 56.687 55.300 0.102 0.000 1.110 758 M CB -0.056 32.559 32.600 0.024 0.000 1.374 758 M HN 0.085 nan 8.290 nan 0.000 0.411 759 M N -0.538 119.127 119.600 0.107 0.000 2.099 759 M HA -0.129 4.350 4.480 -0.001 0.000 0.262 759 M C 2.063 178.486 176.300 0.206 0.000 1.067 759 M CA 1.538 56.918 55.300 0.132 0.000 1.124 759 M CB -0.929 31.685 32.600 0.023 0.000 1.353 759 M HN 0.164 nan 8.290 nan 0.000 0.410 760 R N -0.590 119.994 120.500 0.140 0.000 2.117 760 R HA -0.152 4.188 4.340 -0.001 0.000 0.243 760 R C 1.989 178.295 176.300 0.010 0.000 1.143 760 R CA 1.320 57.453 56.100 0.055 0.000 0.968 760 R CB -1.200 29.084 30.300 -0.026 0.000 0.863 760 R HN 0.586 nan 8.270 nan 0.000 0.444 761 H N -1.514 117.630 119.070 0.122 0.000 2.465 761 H HA -0.002 4.554 4.556 -0.001 0.000 0.289 761 H C 1.781 177.203 175.328 0.157 0.000 1.022 761 H CA 0.643 56.759 56.048 0.113 0.000 1.340 761 H CB -0.144 29.676 29.762 0.097 0.000 1.437 761 H HN 0.086 nan 8.280 nan 0.000 0.539 762 F N 2.469 122.515 119.950 0.159 0.000 2.134 762 F HA -0.151 4.376 4.527 -0.001 0.000 0.299 762 F C 2.214 178.080 175.800 0.110 0.000 1.097 762 F CA 1.345 59.417 58.000 0.120 0.000 1.264 762 F CB -0.031 39.026 39.000 0.095 0.000 1.001 762 F HN 0.052 nan 8.300 nan 0.000 0.479 763 E N 0.091 120.352 120.200 0.102 0.000 2.051 763 E HA -0.249 4.101 4.350 -0.001 0.000 0.192 763 E C 2.281 178.829 176.600 -0.086 0.000 0.991 763 E CA 1.296 57.695 56.400 -0.002 0.000 0.799 763 E CB -0.245 29.513 29.700 0.097 0.000 0.748 763 E HN 0.351 nan 8.360 nan 0.000 0.449 764 K N 0.317 120.687 120.400 -0.050 0.000 2.009 764 K HA -0.158 4.162 4.320 -0.001 0.000 0.210 764 K C 2.259 178.828 176.600 -0.051 0.000 1.049 764 K CA 1.413 57.661 56.287 -0.065 0.000 0.929 764 K CB -0.473 31.989 32.500 -0.064 0.000 0.714 764 K HN 0.174 nan 8.250 nan 0.000 0.440 765 G N 0.993 109.806 108.800 0.021 0.000 2.599 765 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.219 765 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.219 765 G C 1.546 176.458 174.900 0.021 0.000 1.193 765 G CA 1.482 46.648 45.100 0.109 0.000 0.778 765 G HN 0.233 nan 8.290 nan 0.000 0.589 766 V N 1.038 120.821 119.914 -0.219 0.000 2.332 766 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 766 V C 2.948 178.972 176.094 -0.116 0.000 1.055 766 V CA 2.260 64.415 62.300 -0.240 0.000 1.038 766 V CB -0.436 31.119 31.823 -0.447 0.000 0.651 766 V HN 0.403 nan 8.190 nan 0.000 0.450 767 M N -1.094 118.436 119.600 -0.117 0.000 2.117 767 M HA -0.173 4.307 4.480 -0.001 0.000 0.262 767 M C 2.191 178.421 176.300 -0.117 0.000 1.065 767 M CA 1.924 57.161 55.300 -0.106 0.000 1.114 767 M CB -0.431 32.102 32.600 -0.111 0.000 1.361 767 M HN 0.301 nan 8.290 nan 0.000 0.408 768 L N -0.629 120.501 121.223 -0.156 0.000 2.095 768 L HA -0.185 4.155 4.340 -0.001 0.000 0.204 768 L C 2.619 179.399 176.870 -0.150 0.000 1.080 768 L CA 1.180 55.832 54.840 -0.314 0.000 0.759 768 L CB -0.600 41.027 42.059 -0.720 0.000 0.914 768 L HN 0.377 nan 8.230 nan 0.000 0.439 769 Q N -0.383 119.482 119.800 0.108 0.000 2.084 769 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 769 Q C 1.990 178.053 176.000 0.105 0.000 0.978 769 Q CA 2.177 58.131 55.803 0.252 0.000 0.844 769 Q CB 0.089 28.969 28.738 0.238 0.000 0.898 769 Q HN 0.436 nan 8.270 nan 0.000 0.426 770 T N 1.417 115.992 114.554 0.034 0.000 2.812 770 T HA -0.112 4.238 4.350 -0.001 0.000 0.264 770 T C 1.766 176.477 174.700 0.020 0.000 1.042 770 T CA 0.943 63.055 62.100 0.019 0.000 1.140 770 T CB -0.246 68.615 68.868 -0.012 0.000 0.870 770 T HN 0.297 nan 8.240 nan 0.000 0.445 771 L N 1.311 122.525 121.223 -0.015 0.000 1.990 771 L HA -0.208 4.131 4.340 -0.001 0.000 0.213 771 L C 2.125 179.040 176.870 0.075 0.000 1.072 771 L CA 1.872 56.702 54.840 -0.017 0.000 0.755 771 L CB -0.443 41.560 42.059 -0.093 0.000 0.889 771 L HN 0.119 nan 8.230 nan 0.000 0.432 772 D N -0.457 119.988 120.400 0.075 0.000 2.133 772 D HA -0.176 4.464 4.640 -0.001 0.000 0.195 772 D C 2.341 178.756 176.300 0.193 0.000 0.997 772 D CA 1.714 55.813 54.000 0.165 0.000 0.840 772 D CB -0.200 40.692 40.800 0.153 0.000 0.947 772 D HN 0.375 nan 8.370 nan 0.000 0.452 773 S N 0.232 116.013 115.700 0.134 0.000 2.368 773 S HA -0.025 4.445 4.470 -0.001 0.000 0.224 773 S C 2.231 176.896 174.600 0.109 0.000 1.029 773 S CA 0.432 58.697 58.200 0.108 0.000 0.988 773 S CB -0.175 63.069 63.200 0.075 0.000 0.838 773 S HN 0.226 nan 8.310 nan 0.000 0.462 774 L N 0.153 121.445 121.223 0.114 0.000 2.141 774 L HA -0.040 4.299 4.340 -0.001 0.000 0.209 774 L C 2.329 179.317 176.870 0.197 0.000 1.094 774 L CA 0.974 55.881 54.840 0.111 0.000 0.763 774 L CB -0.373 41.723 42.059 0.062 0.000 0.908 774 L HN 0.508 nan 8.230 nan 0.000 0.437 775 W N 2.612 123.929 121.300 0.028 0.000 2.379 775 W HA -0.237 4.422 4.660 -0.001 0.000 0.307 775 W C 2.505 179.086 176.519 0.103 0.000 1.200 775 W CA 1.808 59.197 57.345 0.074 0.000 1.297 775 W CB 0.053 29.566 29.460 0.088 0.000 1.140 775 W HN 0.211 nan 8.180 nan 0.000 0.507 776 K N 0.604 121.045 120.400 0.068 0.000 2.074 776 K HA -0.306 4.013 4.320 -0.001 0.000 0.209 776 K C 1.826 178.347 176.600 -0.131 0.000 1.048 776 K CA 2.083 58.325 56.287 -0.075 0.000 0.926 776 K CB -1.134 31.378 32.500 0.020 0.000 0.713 776 K HN 0.242 nan 8.250 nan 0.000 0.444 777 E N 0.304 120.475 120.200 -0.050 0.000 2.072 777 E HA -0.264 4.086 4.350 -0.001 0.000 0.191 777 E C 2.134 178.673 176.600 -0.102 0.000 0.985 777 E CA 1.242 57.610 56.400 -0.053 0.000 0.801 777 E CB -0.145 29.561 29.700 0.009 0.000 0.750 777 E HN 0.583 nan 8.360 nan 0.000 0.452 778 H N 0.442 119.400 119.070 -0.187 0.000 2.353 778 H HA -0.061 4.495 4.556 -0.001 0.000 0.300 778 H C 2.135 177.223 175.328 -0.399 0.000 1.090 778 H CA 1.804 57.711 56.048 -0.235 0.000 1.327 778 H CB -0.171 29.494 29.762 -0.162 0.000 1.383 778 H HN 0.135 nan 8.280 nan 0.000 0.508 779 L N -0.362 120.531 121.223 -0.550 0.000 2.079 779 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 779 L C 2.715 179.320 176.870 -0.443 0.000 1.081 779 L CA 1.070 55.569 54.840 -0.568 0.000 0.752 779 L CB -0.616 41.096 42.059 -0.578 0.000 0.896 779 L HN 0.470 nan 8.230 nan 0.000 0.433 780 A N -0.333 122.233 122.820 -0.424 0.000 1.897 780 A HA -0.039 4.281 4.320 -0.001 0.000 0.215 780 A C 2.509 179.598 177.584 -0.824 0.000 1.181 780 A CA 1.356 53.060 52.037 -0.555 0.000 0.620 780 A CB -0.532 18.220 19.000 -0.412 0.000 0.821 780 A HN 0.376 nan 8.150 nan 0.000 0.443 781 A N -0.835 121.669 122.820 -0.526 0.000 1.930 781 A HA -0.068 4.252 4.320 -0.001 0.000 0.217 781 A C 2.169 179.569 177.584 -0.306 0.000 1.175 781 A CA 1.795 53.625 52.037 -0.344 0.000 0.627 781 A CB -0.468 18.419 19.000 -0.188 0.000 0.815 781 A HN 0.403 nan 8.150 nan 0.000 0.443 782 M N -0.194 119.160 119.600 -0.410 0.000 2.086 782 M HA -0.147 4.332 4.480 -0.001 0.000 0.261 782 M C 1.837 178.062 176.300 -0.124 0.000 1.067 782 M CA 1.538 56.678 55.300 -0.268 0.000 1.116 782 M CB -1.459 30.952 32.600 -0.316 0.000 1.348 782 M HN 0.481 nan 8.290 nan 0.000 0.407 783 D N -0.142 120.122 120.400 -0.227 0.000 2.160 783 D HA -0.231 4.409 4.640 -0.001 0.000 0.189 783 D C 1.988 178.264 176.300 -0.040 0.000 1.003 783 D CA 1.779 55.675 54.000 -0.175 0.000 0.846 783 D CB -0.264 40.344 40.800 -0.319 0.000 0.949 783 D HN 0.512 nan 8.370 nan 0.000 0.446 784 Y N -0.049 120.232 120.300 -0.033 0.000 2.274 784 Y HA -0.175 4.374 4.550 -0.001 0.000 0.290 784 Y C 2.405 178.310 175.900 0.009 0.000 1.145 784 Y CA -0.197 57.894 58.100 -0.016 0.000 1.203 784 Y CB -0.141 38.306 38.460 -0.023 0.000 0.984 784 Y HN 0.044 nan 8.280 nan 0.000 0.533 785 L N 0.802 122.129 121.223 0.172 0.000 2.017 785 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 785 L C 2.480 179.471 176.870 0.202 0.000 1.073 785 L CA 1.671 56.615 54.840 0.173 0.000 0.745 785 L CB -0.645 41.496 42.059 0.136 0.000 0.894 785 L HN 0.037 nan 8.230 nan 0.000 0.432 786 R N -0.644 119.974 120.500 0.197 0.000 2.081 786 R HA -0.207 4.133 4.340 -0.001 0.000 0.235 786 R C 2.363 178.610 176.300 -0.089 0.000 1.131 786 R CA 1.791 57.901 56.100 0.016 0.000 0.960 786 R CB -0.303 29.986 30.300 -0.017 0.000 0.856 786 R HN 0.754 nan 8.270 nan 0.000 0.436 787 Q N -0.934 118.870 119.800 0.006 0.000 2.224 787 Q HA -0.062 4.277 4.340 -0.001 0.000 0.203 787 Q C 1.488 177.518 176.000 0.050 0.000 0.970 787 Q CA 1.556 57.377 55.803 0.030 0.000 0.865 787 Q CB -0.206 28.579 28.738 0.080 0.000 0.922 787 Q HN 0.376 nan 8.270 nan 0.000 0.445 788 G N 1.291 110.119 108.800 0.047 0.000 2.882 788 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.206 788 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.206 788 G C 0.513 175.392 174.900 -0.035 0.000 1.155 788 G CA -0.305 44.822 45.100 0.045 0.000 0.800 788 G HN 0.312 nan 8.290 nan 0.000 0.524 789 I N 1.160 121.595 120.570 -0.224 0.000 2.882 789 I HA 0.204 4.373 4.170 -0.001 0.000 0.276 789 I C 0.386 176.040 176.117 -0.772 0.000 1.096 789 I CA -0.174 60.880 61.300 -0.410 0.000 1.872 789 I CB -0.625 37.084 38.000 -0.486 0.000 1.383 789 I HN 0.248 nan 8.210 nan 0.000 0.758 790 H N 1.129 120.186 119.070 -0.022 0.000 3.334 790 H HA 0.360 4.916 4.556 -0.001 0.000 0.256 790 H C 0.662 175.958 175.328 -0.052 0.000 1.162 790 H CA -0.068 55.960 56.048 -0.034 0.000 1.030 790 H CB 0.482 30.215 29.762 -0.048 0.000 2.151 790 H HN 0.240 nan 8.280 nan 0.000 0.742 791 L N -0.584 120.652 121.223 0.022 0.000 4.478 791 L HA 0.194 4.534 4.340 -0.001 0.000 0.444 791 L C 1.346 178.216 176.870 -0.000 0.000 1.013 791 L CA 0.446 55.246 54.840 -0.068 0.000 1.688 791 L CB 0.479 42.500 42.059 -0.062 0.000 1.834 791 L HN 0.100 nan 8.230 nan 0.000 0.629 792 R N 0.294 120.870 120.500 0.127 0.000 2.062 792 R HA 0.195 4.535 4.340 -0.001 0.000 0.218 792 R C 1.081 177.583 176.300 0.336 0.000 1.161 792 R CA 0.868 57.101 56.100 0.221 0.000 0.994 792 R CB -0.158 30.229 30.300 0.145 0.000 0.888 792 R HN 0.145 nan 8.270 nan 0.000 0.442 793 G N 0.825 109.779 108.800 0.255 0.000 2.356 793 G HA2 0.377 4.336 3.960 -0.001 0.000 0.312 793 G HA3 0.377 4.336 3.960 -0.001 0.000 0.312 793 G C -0.573 174.487 174.900 0.267 0.000 1.096 793 G CA -0.411 44.803 45.100 0.191 0.000 0.950 793 G HN 0.309 nan 8.290 nan 0.000 0.428 794 Y N 1.556 121.873 120.300 0.027 0.000 2.548 794 Y HA 0.704 5.253 4.550 -0.001 0.000 0.098 794 Y C 1.260 177.172 175.900 0.020 0.000 0.926 794 Y CA -0.529 57.586 58.100 0.024 0.000 1.821 794 Y CB -0.202 38.273 38.460 0.025 0.000 1.139 794 Y HN 0.596 nan 8.280 nan 0.000 0.219 795 A N 2.513 125.275 122.820 -0.097 0.000 2.509 795 A HA 0.232 4.552 4.320 -0.001 0.000 0.282 795 A C 0.591 178.126 177.584 -0.081 0.000 1.159 795 A CA 1.016 53.021 52.037 -0.053 0.000 0.863 795 A CB -0.963 17.991 19.000 -0.075 0.000 1.029 795 A HN 0.686 nan 8.150 nan 0.000 0.542 796 Q N -0.151 119.636 119.800 -0.022 0.000 2.860 796 Q HA -0.231 4.109 4.340 -0.001 0.000 0.195 796 Q C 0.335 176.320 176.000 -0.025 0.000 2.836 796 Q CA 2.188 57.978 55.803 -0.022 0.000 0.235 796 Q CB -1.509 27.211 28.738 -0.030 0.000 0.228 796 Q HN 0.868 nan 8.270 nan 0.000 0.425 797 K N 3.068 123.436 120.400 -0.053 0.000 2.569 797 K HA -0.020 4.300 4.320 -0.001 0.000 0.280 797 K C -0.097 176.497 176.600 -0.011 0.000 0.984 797 K CA 0.646 56.907 56.287 -0.043 0.000 1.064 797 K CB 0.115 32.573 32.500 -0.071 0.000 0.866 797 K HN 0.204 nan 8.250 nan 0.000 0.492 798 D N 3.484 123.884 120.400 0.001 0.000 2.390 798 D HA 0.109 4.749 4.640 -0.001 0.000 0.249 798 D C -2.176 174.155 176.300 0.051 0.000 1.144 798 D CA -1.748 52.266 54.000 0.022 0.000 0.880 798 D CB 0.658 41.461 40.800 0.006 0.000 1.182 798 D HN 0.217 nan 8.370 nan 0.000 0.451 799 P HA 0.169 nan 4.420 nan 0.000 0.279 799 P C -0.550 176.830 177.300 0.135 0.000 1.282 799 P CA -0.554 62.626 63.100 0.133 0.000 0.788 799 P CB 0.527 32.303 31.700 0.126 0.000 1.139 800 K N -1.436 119.074 120.400 0.184 0.000 2.598 800 K HA -0.304 4.016 4.320 -0.001 0.000 0.593 800 K C 0.480 177.086 176.600 0.010 0.000 2.574 800 K CA 0.940 57.116 56.287 -0.184 0.000 1.992 800 K CB -0.474 31.828 32.500 -0.330 0.000 2.737 800 K HN 0.637 nan 8.250 nan 0.000 0.172 801 Q N -0.558 119.244 119.800 0.003 0.000 4.846 801 Q HA -0.273 4.067 4.340 -0.001 0.000 0.255 801 Q C 0.963 176.988 176.000 0.041 0.000 2.461 801 Q CA 2.858 58.666 55.803 0.009 0.000 0.344 801 Q CB -1.406 27.327 28.738 -0.008 0.000 0.187 801 Q HN 0.687 nan 8.270 nan 0.000 0.596 802 E N -0.660 119.586 120.200 0.076 0.000 2.106 802 E HA -0.067 4.283 4.350 -0.001 0.000 0.192 802 E C 1.718 178.399 176.600 0.134 0.000 0.984 802 E CA 1.734 58.186 56.400 0.087 0.000 0.806 802 E CB -0.436 29.319 29.700 0.092 0.000 0.750 802 E HN 0.601 nan 8.360 nan 0.000 0.458 803 Y N 1.186 121.522 120.300 0.059 0.000 2.200 803 Y HA -0.091 4.459 4.550 -0.001 0.000 0.290 803 Y C 1.761 177.700 175.900 0.065 0.000 1.137 803 Y CA 1.896 60.048 58.100 0.087 0.000 1.163 803 Y CB 0.007 38.572 38.460 0.173 0.000 0.988 803 Y HN -0.065 nan 8.280 nan 0.000 0.518 804 K N -0.046 120.383 120.400 0.047 0.000 2.103 804 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 804 K C 2.214 178.811 176.600 -0.006 0.000 1.048 804 K CA 1.590 57.858 56.287 -0.032 0.000 0.930 804 K CB -0.155 32.343 32.500 -0.004 0.000 0.716 804 K HN 0.366 nan 8.250 nan 0.000 0.444 805 R N 1.010 121.516 120.500 0.011 0.000 2.062 805 R HA -0.117 4.222 4.340 -0.001 0.000 0.231 805 R C 2.205 178.558 176.300 0.088 0.000 1.136 805 R CA 1.412 57.538 56.100 0.043 0.000 0.948 805 R CB -0.232 30.081 30.300 0.022 0.000 0.845 805 R HN 0.298 nan 8.270 nan 0.000 0.430 806 E N 0.312 120.530 120.200 0.030 0.000 2.085 806 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 806 E C 2.117 178.714 176.600 -0.005 0.000 0.994 806 E CA 1.419 57.831 56.400 0.020 0.000 0.801 806 E CB 0.002 29.705 29.700 0.006 0.000 0.743 806 E HN 0.157 nan 8.360 nan 0.000 0.453 807 S N 0.234 115.868 115.700 -0.110 0.000 2.356 807 S HA -0.153 4.317 4.470 -0.001 0.000 0.223 807 S C 1.602 176.254 174.600 0.086 0.000 1.032 807 S CA 0.918 59.056 58.200 -0.103 0.000 1.005 807 S CB -0.306 62.715 63.200 -0.298 0.000 0.867 807 S HN 0.294 nan 8.310 nan 0.000 0.449 808 F N 2.440 122.380 119.950 -0.016 0.000 2.095 808 F HA -0.167 4.360 4.527 -0.001 0.000 0.298 808 F C 2.471 178.335 175.800 0.105 0.000 1.104 808 F CA 1.630 59.658 58.000 0.046 0.000 1.232 808 F CB -0.694 38.308 39.000 0.003 0.000 0.987 808 F HN 0.091 nan 8.300 nan 0.000 0.475 809 S N 0.799 116.652 115.700 0.256 0.000 2.365 809 S HA -0.306 4.163 4.470 -0.001 0.000 0.225 809 S C 2.130 176.761 174.600 0.052 0.000 1.039 809 S CA 1.806 60.093 58.200 0.146 0.000 1.033 809 S CB -0.593 62.699 63.200 0.154 0.000 0.887 809 S HN 0.582 nan 8.310 nan 0.000 0.447 810 M N -0.198 119.457 119.600 0.092 0.000 2.200 810 M HA -0.052 4.427 4.480 -0.001 0.000 0.265 810 M C 1.910 178.323 176.300 0.188 0.000 1.066 810 M CA 1.466 56.843 55.300 0.128 0.000 1.127 810 M CB -0.217 32.452 32.600 0.114 0.000 1.379 810 M HN 0.347 nan 8.290 nan 0.000 0.420 811 F N 1.102 121.076 119.950 0.041 0.000 2.146 811 F HA -0.073 4.453 4.527 -0.001 0.000 0.298 811 F C 2.317 177.981 175.800 -0.227 0.000 1.096 811 F CA 1.644 59.559 58.000 -0.142 0.000 1.275 811 F CB -0.472 38.423 39.000 -0.174 0.000 1.008 811 F HN 0.216 nan 8.300 nan 0.000 0.480 812 A N 0.352 123.058 122.820 -0.189 0.000 1.908 812 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 812 A C 2.390 179.865 177.584 -0.182 0.000 1.181 812 A CA 1.995 53.882 52.037 -0.251 0.000 0.627 812 A CB -1.568 17.262 19.000 -0.284 0.000 0.818 812 A HN 0.479 nan 8.150 nan 0.000 0.445 813 A N -0.907 121.840 122.820 -0.120 0.000 1.930 813 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 813 A C 2.263 179.776 177.584 -0.117 0.000 1.175 813 A CA 1.757 53.744 52.037 -0.085 0.000 0.627 813 A CB -0.508 18.470 19.000 -0.037 0.000 0.815 813 A HN 0.615 nan 8.150 nan 0.000 0.443 814 M N -0.545 118.955 119.600 -0.167 0.000 2.213 814 M HA -0.070 4.409 4.480 -0.001 0.000 0.263 814 M C 1.610 177.759 176.300 -0.252 0.000 1.062 814 M CA 1.521 56.703 55.300 -0.197 0.000 1.105 814 M CB -0.239 32.192 32.600 -0.282 0.000 1.385 814 M HN 0.410 nan 8.290 nan 0.000 0.417 815 L N -0.335 120.685 121.223 -0.338 0.000 2.240 815 L HA -0.111 4.229 4.340 -0.001 0.000 0.211 815 L C 2.210 178.989 176.870 -0.151 0.000 1.106 815 L CA 0.474 55.143 54.840 -0.286 0.000 0.793 815 L CB -0.524 41.343 42.059 -0.319 0.000 0.927 815 L HN 0.194 nan 8.230 nan 0.000 0.446 816 E N -0.159 119.969 120.200 -0.119 0.000 2.076 816 E HA -0.082 4.267 4.350 -0.001 0.000 0.190 816 E C 2.434 179.022 176.600 -0.020 0.000 0.979 816 E CA 0.870 57.235 56.400 -0.057 0.000 0.807 816 E CB -0.216 29.453 29.700 -0.051 0.000 0.761 816 E HN 0.201 nan 8.360 nan 0.000 0.454 817 S N 1.190 116.864 115.700 -0.045 0.000 2.370 817 S HA -0.170 4.299 4.470 -0.001 0.000 0.226 817 S C 1.821 176.436 174.600 0.026 0.000 1.033 817 S CA 0.997 59.191 58.200 -0.010 0.000 1.011 817 S CB -0.349 62.828 63.200 -0.038 0.000 0.852 817 S HN 0.160 nan 8.310 nan 0.000 0.457 818 L N 2.009 123.215 121.223 -0.028 0.000 1.990 818 L HA -0.158 4.182 4.340 -0.001 0.000 0.213 818 L C 1.988 178.850 176.870 -0.015 0.000 1.072 818 L CA 1.873 56.693 54.840 -0.034 0.000 0.755 818 L CB -0.728 41.279 42.059 -0.086 0.000 0.889 818 L HN 0.175 nan 8.230 nan 0.000 0.432 819 K N -1.856 118.537 120.400 -0.012 0.000 2.002 819 K HA -0.252 4.067 4.320 -0.001 0.000 0.209 819 K C 2.171 178.782 176.600 0.020 0.000 1.048 819 K CA 1.988 58.269 56.287 -0.011 0.000 0.930 819 K CB -0.640 31.853 32.500 -0.012 0.000 0.714 819 K HN 0.327 nan 8.250 nan 0.000 0.438 820 Y N 2.386 122.657 120.300 -0.049 0.000 2.081 820 Y HA -0.294 4.256 4.550 -0.001 0.000 0.280 820 Y C 2.275 178.151 175.900 -0.040 0.000 1.163 820 Y CA 1.692 59.776 58.100 -0.026 0.000 1.135 820 Y CB 0.101 38.546 38.460 -0.024 0.000 0.970 820 Y HN 0.089 nan 8.280 nan 0.000 0.498 821 E N -0.662 119.619 120.200 0.136 0.000 2.106 821 E HA -0.153 4.197 4.350 -0.001 0.000 0.192 821 E C 2.454 179.030 176.600 -0.040 0.000 0.984 821 E CA 1.252 57.678 56.400 0.044 0.000 0.806 821 E CB -0.648 29.087 29.700 0.059 0.000 0.750 821 E HN 0.402 nan 8.360 nan 0.000 0.458 822 V N 1.964 121.852 119.914 -0.043 0.000 2.261 822 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 822 V C 2.378 178.430 176.094 -0.071 0.000 1.047 822 V CA 1.314 63.577 62.300 -0.062 0.000 1.015 822 V CB -0.353 31.430 31.823 -0.066 0.000 0.642 822 V HN 0.209 nan 8.190 nan 0.000 0.446 823 I N -0.214 120.299 120.570 -0.094 0.000 2.252 823 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 823 I C 2.707 178.806 176.117 -0.031 0.000 1.102 823 I CA 1.761 63.012 61.300 -0.081 0.000 1.385 823 I CB -1.372 36.541 38.000 -0.146 0.000 1.064 823 I HN 0.355 nan 8.210 nan 0.000 0.414 824 S N 0.584 116.168 115.700 -0.194 0.000 2.365 824 S HA -0.212 4.258 4.470 -0.001 0.000 0.225 824 S C 2.118 176.636 174.600 -0.137 0.000 1.039 824 S CA 2.469 60.437 58.200 -0.387 0.000 1.033 824 S CB -0.227 62.640 63.200 -0.554 0.000 0.887 824 S HN 0.482 nan 8.310 nan 0.000 0.447 825 T N 2.753 117.270 114.554 -0.062 0.000 2.674 825 T HA -0.009 4.340 4.350 -0.001 0.000 0.265 825 T C 1.765 176.547 174.700 0.136 0.000 1.039 825 T CA 1.547 63.667 62.100 0.032 0.000 1.150 825 T CB -0.451 68.430 68.868 0.022 0.000 0.864 825 T HN 0.329 nan 8.240 nan 0.000 0.427 826 L N 0.873 122.180 121.223 0.139 0.000 2.131 826 L HA -0.083 4.257 4.340 -0.001 0.000 0.210 826 L C 2.766 179.800 176.870 0.274 0.000 1.092 826 L CA 0.907 55.908 54.840 0.268 0.000 0.759 826 L CB -0.521 41.617 42.059 0.132 0.000 0.903 826 L HN 0.250 nan 8.230 nan 0.000 0.435 827 S N -0.420 115.394 115.700 0.189 0.000 2.406 827 S HA -0.099 4.370 4.470 -0.001 0.000 0.228 827 S C 1.828 176.544 174.600 0.193 0.000 1.020 827 S CA 1.000 59.344 58.200 0.240 0.000 0.965 827 S CB 0.006 63.426 63.200 0.366 0.000 0.798 827 S HN 0.383 nan 8.310 nan 0.000 0.488 828 K N 0.889 121.366 120.400 0.129 0.000 2.400 828 K HA 0.201 4.521 4.320 -0.001 0.000 0.194 828 K C 0.351 177.008 176.600 0.094 0.000 1.033 828 K CA -0.044 56.293 56.287 0.084 0.000 1.021 828 K CB 0.142 32.655 32.500 0.022 0.000 0.808 828 K HN 0.123 nan 8.250 nan 0.000 0.505 829 V N 3.383 123.380 119.914 0.139 0.000 2.509 829 V HA -0.096 4.023 4.120 -0.001 0.000 0.297 829 V C -0.107 176.011 176.094 0.041 0.000 1.014 829 V CA 0.354 62.719 62.300 0.108 0.000 1.127 829 V CB 0.395 32.310 31.823 0.155 0.000 0.925 829 V HN 0.236 nan 8.190 nan 0.000 0.480 830 Q N 5.504 125.311 119.800 0.012 0.000 2.295 830 Q HA 0.361 4.701 4.340 -0.001 0.000 0.259 830 Q C -0.736 175.240 176.000 -0.041 0.000 0.976 830 Q CA -0.300 55.501 55.803 -0.005 0.000 0.923 830 Q CB 1.751 30.488 28.738 -0.002 0.000 1.185 830 Q HN 0.629 nan 8.270 nan 0.000 0.410 831 V N 3.634 123.523 119.914 -0.042 0.000 2.448 831 V HA 0.245 4.364 4.120 -0.001 0.000 0.295 831 V C 0.362 176.432 176.094 -0.039 0.000 1.025 831 V CA -0.893 61.369 62.300 -0.062 0.000 0.859 831 V CB 1.743 33.516 31.823 -0.083 0.000 0.988 831 V HN 0.687 nan 8.190 nan 0.000 0.431 832 R N 5.841 126.318 120.500 -0.038 0.000 2.507 832 R HA 0.081 4.421 4.340 -0.001 0.000 0.341 832 R C -0.607 175.676 176.300 -0.027 0.000 0.960 832 R CA 0.049 56.133 56.100 -0.027 0.000 1.032 832 R CB 0.121 30.406 30.300 -0.026 0.000 0.933 832 R HN 0.559 nan 8.270 nan 0.000 0.418 833 M N 6.402 125.990 119.600 -0.020 0.000 2.120 833 M HA 0.238 4.718 4.480 -0.001 0.000 0.354 833 M C -1.409 174.881 176.300 -0.015 0.000 1.287 833 M CA -1.755 53.534 55.300 -0.018 0.000 1.103 833 M CB 0.180 32.774 32.600 -0.010 0.000 1.623 833 M HN 0.439 nan 8.290 nan 0.000 0.471 834 P HA 0.000 nan 4.420 nan 0.000 0.216 834 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 834 P CB 0.000 31.691 31.700 -0.015 0.000 0.726