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 2jl9_1_C DATA FIRST_RESID 3 DATA SEQUENCE RAPAFPLSDI KAQMLFANNI KAQQASKRSF KEGAIETYEG LLSVDPRFLS DATA SEQUENCE FKNELSRYLT DHFPANVDEY GRVYGNGVRT NFFGMRHMNG FPMIPATWPL DATA SEQUENCE ASNLKKRADA DLADGPVSER DNLLFRAAVR LMFSDLEPVP LKIRKGSSTC DATA SEQUENCE IPYFSNDMGT KIEIAERALE KAEEAGNLML QGKFDDAYQL HQMGGAYYVV DATA SEQUENCE YRAQSTDAIT LDPKTGKFVS KDRMVADFEY AVTGGEQGSL FAASKDASRL DATA SEQUENCE KEQYGIDVPD GFFCERRRTA MGGPFALNAP IMAVAQPVRN KIYSKYAYTF DATA SEQUENCE HHTTRLNKEE KVKEWSLCVA TDVSDHDTFW PGWLRDLICD ELLNMGYAPW DATA SEQUENCE WVKLFETSLK LPVYVGAPAP EQGHTLLGDP SNPDLEVGLS SGQGATDLMG DATA SEQUENCE TLLMSITYLV MQLDHTAPHL NSRIKDMPSA CRFLDSYWQG HEEIRQISKS DATA SEQUENCE DDAMLGWTKG RALVGGHRLF EMLKEGKVNP SPYMKISYQH GGAFLGDILL DATA SEQUENCE YDSRREPGSA IFVGNINSML NNQFSPEYGV QSGVRDRSKR KRPFPGLAWA DATA SEQUENCE SMKDTYGACP IYSDVLEAIE RCWWNAFGES YRAYREDMLK RDTLELSRYV DATA SEQUENCE ASMXXXXXXA ELTPIDLEVL ADPNKLQYKW TEADVSANIH EVLMHGVSVE DATA SEQUENCE KTERFLRSVM P 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.261 176.300 -0.066 0.000 0.893 3 R CA 0.000 56.055 56.100 -0.075 0.000 0.921 3 R CB 0.000 30.254 30.300 -0.077 0.000 0.687 4 A N 3.790 126.557 122.820 -0.089 0.000 2.331 4 A HA 0.748 5.063 4.320 -0.009 0.000 0.320 4 A C -2.467 175.059 177.584 -0.097 0.000 1.138 4 A CA -1.892 50.102 52.037 -0.072 0.000 0.790 4 A CB 0.950 19.911 19.000 -0.064 0.000 1.206 4 A HN 0.587 nan 8.150 nan 0.000 0.470 5 P HA 0.350 nan 4.420 nan 0.000 0.265 5 P C -0.506 176.574 177.300 -0.366 0.000 1.193 5 P CA 0.382 63.337 63.100 -0.240 0.000 0.765 5 P CB 0.899 32.555 31.700 -0.074 0.000 0.823 6 A N 3.318 125.755 122.820 -0.638 0.000 2.476 6 A HA 0.617 4.932 4.320 -0.009 0.000 0.280 6 A C -1.167 176.124 177.584 -0.488 0.000 1.081 6 A CA -0.503 51.317 52.037 -0.362 0.000 0.753 6 A CB 0.260 19.344 19.000 0.140 0.000 1.248 6 A HN 0.307 nan 8.150 nan 0.000 0.424 7 F N 2.461 122.487 119.950 0.127 0.000 2.458 7 F HA 0.737 5.261 4.527 -0.005 0.000 0.330 7 F C -2.176 173.693 175.800 0.116 0.000 1.082 7 F CA -2.555 55.510 58.000 0.107 0.000 0.995 7 F CB 1.266 40.332 39.000 0.109 0.000 1.170 7 F HN 0.291 nan 8.300 nan 0.000 0.478 8 P HA 0.171 nan 4.420 nan 0.000 0.281 8 P C 0.586 178.044 177.300 0.263 0.000 1.281 8 P CA -0.550 62.670 63.100 0.200 0.000 0.811 8 P CB 1.060 32.833 31.700 0.121 0.000 1.154 9 L N 1.143 122.526 121.223 0.267 0.000 2.191 9 L HA -0.153 4.182 4.340 -0.009 0.000 0.212 9 L C 1.918 178.916 176.870 0.214 0.000 1.103 9 L CA 2.239 57.267 54.840 0.312 0.000 0.769 9 L CB -1.858 40.388 42.059 0.312 0.000 0.908 9 L HN 0.376 nan 8.230 nan 0.000 0.438 10 S N -1.966 113.830 115.700 0.161 0.000 2.423 10 S HA -0.121 4.344 4.470 -0.009 0.000 0.231 10 S C 1.058 175.730 174.600 0.121 0.000 1.014 10 S CA 0.338 58.609 58.200 0.118 0.000 0.965 10 S CB -0.679 62.573 63.200 0.087 0.000 0.785 10 S HN 0.593 nan 8.310 nan 0.000 0.495 11 D N 0.920 121.412 120.400 0.152 0.000 2.372 11 D HA 0.096 4.731 4.640 -0.009 0.000 0.243 11 D C 1.164 177.519 176.300 0.091 0.000 1.121 11 D CA -0.243 53.836 54.000 0.131 0.000 0.898 11 D CB 1.009 41.925 40.800 0.195 0.000 1.202 11 D HN 0.146 nan 8.370 nan 0.000 0.428 12 I N 3.457 124.055 120.570 0.046 0.000 2.335 12 I HA -0.227 3.938 4.170 -0.009 0.000 0.251 12 I C 1.907 178.019 176.117 -0.010 0.000 1.129 12 I CA 1.485 62.800 61.300 0.026 0.000 1.402 12 I CB 0.016 38.023 38.000 0.012 0.000 1.069 12 I HN 0.347 nan 8.210 nan 0.000 0.424 13 K N 0.648 120.989 120.400 -0.098 0.000 2.211 13 K HA -0.020 4.295 4.320 -0.009 0.000 0.203 13 K C 2.103 178.652 176.600 -0.085 0.000 1.050 13 K CA 1.086 57.251 56.287 -0.203 0.000 0.945 13 K CB -0.241 31.928 32.500 -0.552 0.000 0.732 13 K HN 0.518 nan 8.250 nan 0.000 0.451 14 A N 1.383 124.241 122.820 0.062 0.000 1.832 14 A HA -0.147 4.167 4.320 -0.009 0.000 0.214 14 A C 2.092 179.832 177.584 0.259 0.000 1.204 14 A CA 0.903 53.088 52.037 0.248 0.000 0.606 14 A CB -0.393 18.835 19.000 0.380 0.000 0.849 14 A HN 0.115 nan 8.150 nan 0.000 0.445 15 Q N -0.566 119.365 119.800 0.219 0.000 2.173 15 Q HA -0.192 4.143 4.340 -0.009 0.000 0.208 15 Q C 2.024 178.142 176.000 0.196 0.000 0.989 15 Q CA 1.504 57.443 55.803 0.227 0.000 0.872 15 Q CB -0.467 28.352 28.738 0.135 0.000 0.909 15 Q HN 0.649 nan 8.270 nan 0.000 0.420 16 M N -0.246 119.410 119.600 0.093 0.000 2.632 16 M HA -0.083 4.391 4.480 -0.009 0.000 0.256 16 M C 1.796 178.123 176.300 0.046 0.000 1.080 16 M CA 0.782 56.126 55.300 0.073 0.000 1.084 16 M CB -0.270 32.359 32.600 0.048 0.000 1.439 16 M HN 0.188 nan 8.290 nan 0.000 0.509 17 L N -1.200 119.947 121.223 -0.127 0.000 2.446 17 L HA 0.052 4.387 4.340 -0.009 0.000 0.219 17 L C -0.238 176.260 176.870 -0.621 0.000 1.116 17 L CA 0.268 54.829 54.840 -0.464 0.000 0.844 17 L CB 0.083 41.624 42.059 -0.863 0.000 0.970 17 L HN 0.064 nan 8.230 nan 0.000 0.457 18 F N -0.312 119.652 119.950 0.025 0.000 2.493 18 F HA 0.595 5.117 4.527 -0.010 0.000 0.329 18 F C 0.559 176.361 175.800 0.003 0.000 1.126 18 F CA -1.116 56.895 58.000 0.018 0.000 0.937 18 F CB 0.755 39.689 39.000 -0.110 0.000 1.146 18 F HN -0.249 nan 8.300 nan 0.000 0.442 19 A N 1.506 124.429 122.820 0.171 0.000 2.327 19 A HA 0.233 4.548 4.320 -0.009 0.000 0.255 19 A C 0.454 178.115 177.584 0.129 0.000 1.099 19 A CA -0.488 51.623 52.037 0.123 0.000 0.801 19 A CB 0.138 19.240 19.000 0.170 0.000 1.062 19 A HN 0.736 nan 8.150 nan 0.000 0.496 20 N N 1.052 119.816 118.700 0.106 0.000 3.178 20 N HA 0.147 4.882 4.740 -0.009 0.000 0.300 20 N C -0.837 174.713 175.510 0.068 0.000 1.242 20 N CA 0.054 53.148 53.050 0.073 0.000 1.192 20 N CB -1.033 37.489 38.487 0.057 0.000 1.463 20 N HN 0.738 nan 8.380 nan 0.000 0.539 21 N N -0.464 118.276 118.700 0.068 0.000 2.708 21 N HA 0.250 4.985 4.740 -0.009 0.000 0.257 21 N C 0.436 175.958 175.510 0.019 0.000 1.373 21 N CA -0.754 52.325 53.050 0.049 0.000 0.843 21 N CB 0.527 39.056 38.487 0.071 0.000 1.503 21 N HN -0.269 nan 8.380 nan 0.000 0.504 22 I N 0.415 120.986 120.570 0.003 0.000 2.090 22 I HA -0.176 3.989 4.170 -0.009 0.000 0.236 22 I C 2.015 178.103 176.117 -0.048 0.000 1.064 22 I CA 1.325 62.610 61.300 -0.024 0.000 1.324 22 I CB -1.171 36.818 38.000 -0.019 0.000 1.044 22 I HN 0.643 nan 8.210 nan 0.000 0.399 23 K N 1.009 121.394 120.400 -0.025 0.000 2.049 23 K HA -0.262 4.053 4.320 -0.009 0.000 0.219 23 K C 2.126 178.638 176.600 -0.147 0.000 1.056 23 K CA 2.185 58.448 56.287 -0.040 0.000 0.946 23 K CB -0.836 31.688 32.500 0.040 0.000 0.723 23 K HN 0.418 nan 8.250 nan 0.000 0.453 24 A N 1.520 124.283 122.820 -0.096 0.000 1.858 24 A HA -0.191 4.124 4.320 -0.009 0.000 0.216 24 A C 2.228 179.597 177.584 -0.359 0.000 1.190 24 A CA 1.420 53.310 52.037 -0.246 0.000 0.617 24 A CB -0.426 18.659 19.000 0.141 0.000 0.827 24 A HN 0.298 nan 8.150 nan 0.000 0.443 25 Q N -0.364 119.318 119.800 -0.197 0.000 2.096 25 Q HA -0.253 4.082 4.340 -0.009 0.000 0.204 25 Q C 2.153 177.976 176.000 -0.295 0.000 0.982 25 Q CA 1.985 57.644 55.803 -0.239 0.000 0.850 25 Q CB -0.467 28.202 28.738 -0.116 0.000 0.901 25 Q HN 0.824 nan 8.270 nan 0.000 0.422 26 Q N -0.240 119.423 119.800 -0.229 0.000 2.124 26 Q HA -0.107 4.228 4.340 -0.009 0.000 0.202 26 Q C 2.039 177.887 176.000 -0.254 0.000 0.977 26 Q CA 1.363 57.056 55.803 -0.185 0.000 0.850 26 Q CB -0.162 28.502 28.738 -0.124 0.000 0.901 26 Q HN 0.413 nan 8.270 nan 0.000 0.429 27 A N 0.751 123.312 122.820 -0.431 0.000 1.908 27 A HA -0.264 4.051 4.320 -0.009 0.000 0.218 27 A C 2.228 179.549 177.584 -0.438 0.000 1.181 27 A CA 2.025 53.746 52.037 -0.527 0.000 0.627 27 A CB -0.885 17.345 19.000 -1.284 0.000 0.818 27 A HN 0.509 nan 8.150 nan 0.000 0.445 28 S N 0.085 115.252 115.700 -0.889 0.000 2.356 28 S HA -0.196 4.269 4.470 -0.009 0.000 0.223 28 S C 1.829 176.223 174.600 -0.343 0.000 1.032 28 S CA 1.611 59.126 58.200 -1.141 0.000 1.005 28 S CB -0.413 61.730 63.200 -1.762 0.000 0.867 28 S HN 0.613 nan 8.310 nan 0.000 0.449 29 K N 0.511 120.789 120.400 -0.203 0.000 2.228 29 K HA 0.168 4.483 4.320 -0.009 0.000 0.202 29 K C 0.808 177.510 176.600 0.170 0.000 1.051 29 K CA 0.007 56.339 56.287 0.076 0.000 0.960 29 K CB -0.129 32.388 32.500 0.028 0.000 0.743 29 K HN 0.181 nan 8.250 nan 0.000 0.458 30 R N 2.498 123.008 120.500 0.017 0.000 2.669 30 R HA -0.116 4.218 4.340 -0.009 0.000 0.283 30 R C -0.118 176.281 176.300 0.164 0.000 0.851 30 R CA 0.347 56.483 56.100 0.060 0.000 1.126 30 R CB -0.142 30.187 30.300 0.048 0.000 0.883 30 R HN 0.225 nan 8.270 nan 0.000 0.418 31 S N 4.061 119.879 115.700 0.197 0.000 2.681 31 S HA 0.292 4.756 4.470 -0.009 0.000 0.270 31 S C 0.028 174.768 174.600 0.234 0.000 1.209 31 S CA -0.904 57.458 58.200 0.271 0.000 0.988 31 S CB 0.574 63.894 63.200 0.200 0.000 1.006 31 S HN 0.500 nan 8.310 nan 0.000 0.558 32 F N 1.220 121.251 119.950 0.135 0.000 2.608 32 F HA 0.415 4.937 4.527 -0.009 0.000 0.380 32 F C 0.243 176.095 175.800 0.086 0.000 1.083 32 F CA 0.347 58.407 58.000 0.099 0.000 1.266 32 F CB 0.278 39.333 39.000 0.092 0.000 1.076 32 F HN 0.594 nan 8.300 nan 0.000 0.574 33 K N 5.450 125.490 120.400 -0.600 0.000 2.463 33 K HA 0.337 4.652 4.320 -0.009 0.000 0.255 33 K C -1.405 174.879 176.600 -0.528 0.000 0.942 33 K CA -0.612 55.455 56.287 -0.367 0.000 0.814 33 K CB 1.277 33.665 32.500 -0.187 0.000 1.122 33 K HN 0.755 nan 8.250 nan 0.000 0.425 34 E N 2.437 122.460 120.200 -0.294 0.000 2.335 34 E HA 0.702 5.047 4.350 -0.009 0.000 0.280 34 E C -1.353 175.047 176.600 -0.332 0.000 0.918 34 E CA -0.964 55.261 56.400 -0.293 0.000 0.765 34 E CB 1.625 31.317 29.700 -0.015 0.000 1.218 34 E HN 0.691 nan 8.360 nan 0.000 0.425 35 G N 1.348 109.710 108.800 -0.730 0.000 2.402 35 G HA2 0.480 4.435 3.960 -0.009 0.000 0.301 35 G HA3 0.480 4.435 3.960 -0.009 0.000 0.301 35 G C -1.193 173.204 174.900 -0.840 0.000 1.615 35 G CA -0.282 44.356 45.100 -0.770 0.000 0.889 35 G HN 0.624 nan 8.290 nan 0.000 0.647 36 A N 1.172 123.595 122.820 -0.662 0.000 2.386 36 A HA 0.713 5.028 4.320 -0.009 0.000 0.248 36 A C 0.845 178.330 177.584 -0.166 0.000 1.082 36 A CA -0.076 51.766 52.037 -0.325 0.000 0.789 36 A CB 0.110 19.121 19.000 0.019 0.000 1.025 36 A HN 1.776 nan 8.150 nan 0.000 0.490 37 I N -1.495 119.021 120.570 -0.090 0.000 2.566 37 I HA 0.467 4.632 4.170 -0.009 0.000 0.303 37 I C 0.099 176.199 176.117 -0.028 0.000 0.983 37 I CA -0.560 60.704 61.300 -0.060 0.000 1.235 37 I CB 1.517 39.488 38.000 -0.048 0.000 1.386 37 I HN 0.736 nan 8.210 nan 0.000 0.494 38 E N 3.623 123.804 120.200 -0.031 0.000 1.775 38 E HA 0.078 4.423 4.350 -0.009 0.000 0.266 38 E C 0.524 177.092 176.600 -0.052 0.000 1.191 38 E CA -0.084 56.300 56.400 -0.026 0.000 1.048 38 E CB 0.351 30.041 29.700 -0.016 0.000 1.081 38 E HN 0.788 nan 8.360 nan 0.000 0.434 39 T N 3.134 117.645 114.554 -0.073 0.000 2.597 39 T HA -0.204 4.140 4.350 -0.009 0.000 0.267 39 T C 0.069 174.563 174.700 -0.344 0.000 1.053 39 T CA 1.619 63.622 62.100 -0.162 0.000 1.165 39 T CB -0.111 68.669 68.868 -0.147 0.000 0.863 39 T HN 0.348 nan 8.240 nan 0.000 0.427 40 Y N -0.255 120.048 120.300 0.005 0.000 2.662 40 Y HA 0.422 4.967 4.550 -0.008 0.000 0.335 40 Y C 0.156 176.073 175.900 0.029 0.000 1.066 40 Y CA -1.653 56.477 58.100 0.050 0.000 1.116 40 Y CB 0.966 39.514 38.460 0.148 0.000 1.308 40 Y HN -0.045 nan 8.280 nan 0.000 0.502 41 E N 0.867 121.204 120.200 0.227 0.000 2.463 41 E HA 0.269 4.614 4.350 -0.009 0.000 0.248 41 E C 0.439 177.096 176.600 0.095 0.000 1.106 41 E CA 1.079 57.542 56.400 0.105 0.000 0.946 41 E CB -0.449 29.286 29.700 0.058 0.000 0.971 41 E HN 0.860 nan 8.360 nan 0.000 0.478 42 G N 4.169 113.003 108.800 0.056 0.000 2.149 42 G HA2 -0.215 3.740 3.960 -0.009 0.000 0.235 42 G HA3 -0.215 3.740 3.960 -0.009 0.000 0.235 42 G C -0.370 174.546 174.900 0.026 0.000 1.018 42 G CA -0.033 45.089 45.100 0.036 0.000 0.728 42 G HN 0.486 nan 8.290 nan 0.000 0.508 43 L N 0.118 121.351 121.223 0.017 0.000 2.439 43 L HA 0.659 4.994 4.340 -0.009 0.000 0.270 43 L C -0.772 176.063 176.870 -0.059 0.000 0.972 43 L CA -0.888 53.931 54.840 -0.036 0.000 0.836 43 L CB 1.556 43.564 42.059 -0.086 0.000 1.255 43 L HN 0.026 nan 8.230 nan 0.000 0.404 44 L N 2.878 124.086 121.223 -0.025 0.000 2.312 44 L HA 0.291 4.626 4.340 -0.009 0.000 0.281 44 L C 1.634 178.541 176.870 0.062 0.000 1.070 44 L CA 0.379 55.226 54.840 0.012 0.000 0.805 44 L CB 1.904 43.987 42.059 0.041 0.000 1.174 44 L HN 0.763 nan 8.230 nan 0.000 0.434 45 S N 1.491 117.255 115.700 0.107 0.000 2.440 45 S HA -0.158 4.307 4.470 -0.009 0.000 0.240 45 S C 1.235 176.039 174.600 0.339 0.000 1.014 45 S CA 1.230 59.596 58.200 0.277 0.000 0.980 45 S CB -0.529 62.801 63.200 0.218 0.000 0.775 45 S HN 0.639 nan 8.310 nan 0.000 0.499 46 V N -1.355 118.688 119.914 0.216 0.000 3.605 46 V HA 0.261 4.376 4.120 -0.009 0.000 0.284 46 V C 0.319 176.471 176.094 0.097 0.000 1.386 46 V CA -0.059 62.327 62.300 0.142 0.000 1.053 46 V CB -0.464 31.441 31.823 0.137 0.000 0.857 46 V HN 0.299 nan 8.190 nan 0.000 0.436 47 D N 2.708 123.188 120.400 0.133 0.000 2.772 47 D HA -0.019 4.616 4.640 -0.009 0.000 0.227 47 D C -1.382 174.958 176.300 0.067 0.000 1.114 47 D CA -0.429 53.630 54.000 0.099 0.000 0.832 47 D CB 1.772 42.646 40.800 0.123 0.000 1.154 47 D HN 0.243 nan 8.370 nan 0.000 0.514 48 P HA -0.082 nan 4.420 nan 0.000 0.221 48 P C 1.263 178.484 177.300 -0.132 0.000 1.145 48 P CA 0.935 63.987 63.100 -0.081 0.000 0.795 48 P CB 0.249 31.901 31.700 -0.080 0.000 0.775 49 R N -1.919 118.485 120.500 -0.161 0.000 2.066 49 R HA -0.077 4.258 4.340 -0.009 0.000 0.232 49 R C 2.105 178.149 176.300 -0.427 0.000 1.131 49 R CA 1.099 56.949 56.100 -0.417 0.000 0.955 49 R CB -0.959 28.986 30.300 -0.592 0.000 0.851 49 R HN 0.109 nan 8.270 nan 0.000 0.432 50 F N 1.270 121.075 119.950 -0.241 0.000 2.134 50 F HA -0.130 4.392 4.527 -0.009 0.000 0.299 50 F C 1.707 177.535 175.800 0.046 0.000 1.097 50 F CA 1.370 59.385 58.000 0.026 0.000 1.264 50 F CB -0.311 38.799 39.000 0.184 0.000 1.001 50 F HN -0.063 nan 8.300 nan 0.000 0.479 51 L N -1.027 120.153 121.223 -0.071 0.000 2.017 51 L HA -0.243 4.091 4.340 -0.009 0.000 0.208 51 L C 2.755 179.507 176.870 -0.197 0.000 1.073 51 L CA 1.580 56.248 54.840 -0.286 0.000 0.745 51 L CB -1.223 40.578 42.059 -0.430 0.000 0.894 51 L HN 0.207 nan 8.230 nan 0.000 0.432 52 S N 0.324 115.928 115.700 -0.161 0.000 2.359 52 S HA -0.299 4.166 4.470 -0.009 0.000 0.223 52 S C 2.071 176.615 174.600 -0.093 0.000 1.039 52 S CA 1.811 59.941 58.200 -0.116 0.000 1.042 52 S CB -0.545 62.560 63.200 -0.158 0.000 0.915 52 S HN 0.424 nan 8.310 nan 0.000 0.439 53 F N 1.941 121.720 119.950 -0.284 0.000 2.147 53 F HA -0.154 4.368 4.527 -0.009 0.000 0.301 53 F C 2.114 177.792 175.800 -0.202 0.000 1.084 53 F CA 2.168 60.015 58.000 -0.256 0.000 1.268 53 F CB -0.372 38.452 39.000 -0.292 0.000 1.009 53 F HN 0.202 nan 8.300 nan 0.000 0.486 54 K N -0.055 120.142 120.400 -0.339 0.000 2.031 54 K HA -0.180 4.135 4.320 -0.009 0.000 0.205 54 K C 1.983 178.549 176.600 -0.056 0.000 1.049 54 K CA 1.415 57.532 56.287 -0.284 0.000 0.939 54 K CB -0.445 32.032 32.500 -0.039 0.000 0.717 54 K HN 0.374 nan 8.250 nan 0.000 0.438 55 N N 0.880 119.653 118.700 0.121 0.000 2.223 55 N HA -0.200 4.535 4.740 -0.009 0.000 0.185 55 N C 1.770 177.315 175.510 0.059 0.000 1.016 55 N CA 1.092 54.239 53.050 0.161 0.000 0.863 55 N CB 0.230 38.859 38.487 0.237 0.000 0.983 55 N HN 0.205 nan 8.380 nan 0.000 0.429 56 E N -0.387 119.790 120.200 -0.039 0.000 2.030 56 E HA -0.127 4.218 4.350 -0.009 0.000 0.189 56 E C 1.803 178.352 176.600 -0.085 0.000 0.974 56 E CA 0.460 56.832 56.400 -0.047 0.000 0.807 56 E CB -0.100 29.550 29.700 -0.083 0.000 0.771 56 E HN 0.264 nan 8.360 nan 0.000 0.451 57 L N 1.438 122.485 121.223 -0.294 0.000 2.079 57 L HA -0.179 4.156 4.340 -0.009 0.000 0.210 57 L C 2.423 179.199 176.870 -0.156 0.000 1.081 57 L CA 2.394 57.046 54.840 -0.314 0.000 0.752 57 L CB -0.971 40.667 42.059 -0.702 0.000 0.896 57 L HN 0.217 nan 8.230 nan 0.000 0.433 58 S N -0.610 115.029 115.700 -0.100 0.000 2.348 58 S HA -0.227 4.238 4.470 -0.009 0.000 0.221 58 S C 2.111 176.766 174.600 0.091 0.000 1.033 58 S CA 1.080 59.288 58.200 0.014 0.000 1.010 58 S CB -0.670 62.598 63.200 0.114 0.000 0.891 58 S HN 0.504 nan 8.310 nan 0.000 0.442 59 R N -0.311 120.334 120.500 0.242 0.000 2.073 59 R HA -0.077 4.258 4.340 -0.009 0.000 0.234 59 R C 2.370 178.808 176.300 0.229 0.000 1.134 59 R CA 1.674 57.977 56.100 0.337 0.000 0.952 59 R CB -0.716 29.770 30.300 0.310 0.000 0.850 59 R HN 0.586 nan 8.270 nan 0.000 0.433 60 Y N 1.742 122.076 120.300 0.058 0.000 2.089 60 Y HA -0.199 4.346 4.550 -0.009 0.000 0.282 60 Y C 2.116 178.060 175.900 0.073 0.000 1.139 60 Y CA 1.535 59.664 58.100 0.049 0.000 1.123 60 Y CB -0.400 38.026 38.460 -0.057 0.000 0.980 60 Y HN -0.065 nan 8.280 nan 0.000 0.493 61 L N -0.924 120.252 121.223 -0.079 0.000 2.046 61 L HA -0.258 4.077 4.340 -0.009 0.000 0.208 61 L C 2.290 179.158 176.870 -0.004 0.000 1.077 61 L CA 1.989 56.660 54.840 -0.282 0.000 0.747 61 L CB -1.183 40.234 42.059 -1.070 0.000 0.896 61 L HN 0.255 nan 8.230 nan 0.000 0.432 62 T N -0.981 113.623 114.554 0.083 0.000 2.699 62 T HA -0.228 4.117 4.350 -0.009 0.000 0.268 62 T C 1.465 176.224 174.700 0.098 0.000 1.036 62 T CA 1.765 63.941 62.100 0.127 0.000 1.147 62 T CB -0.220 68.474 68.868 -0.290 0.000 0.862 62 T HN 0.317 nan 8.240 nan 0.000 0.446 63 D N 0.499 120.939 120.400 0.066 0.000 2.077 63 D HA -0.076 4.559 4.640 -0.009 0.000 0.197 63 D C 1.671 177.908 176.300 -0.106 0.000 0.983 63 D CA 1.135 55.141 54.000 0.009 0.000 0.841 63 D CB -0.313 40.517 40.800 0.050 0.000 0.992 63 D HN 0.411 nan 8.370 nan 0.000 0.450 64 H N -1.887 116.985 119.070 -0.330 0.000 2.562 64 H HA 0.185 4.735 4.556 -0.009 0.000 0.272 64 H C -0.347 174.525 175.328 -0.760 0.000 1.019 64 H CA 0.423 56.139 56.048 -0.553 0.000 1.160 64 H CB -0.241 29.024 29.762 -0.828 0.000 1.334 64 H HN 0.062 nan 8.280 nan 0.000 0.611 65 F N -0.739 119.210 119.950 -0.002 0.000 2.824 65 F HA 0.277 4.799 4.527 -0.009 0.000 0.368 65 F C -2.560 173.299 175.800 0.098 0.000 1.398 65 F CA -2.017 56.021 58.000 0.063 0.000 1.142 65 F CB 1.004 40.075 39.000 0.119 0.000 1.997 65 F HN -0.070 nan 8.300 nan 0.000 0.598 66 P HA 0.228 nan 4.420 nan 0.000 0.282 66 P C -0.235 177.099 177.300 0.058 0.000 1.286 66 P CA -0.444 62.713 63.100 0.095 0.000 0.777 66 P CB 0.661 32.389 31.700 0.047 0.000 1.184 67 A N 0.558 123.383 122.820 0.008 0.000 2.451 67 A HA 0.119 4.434 4.320 -0.009 0.000 0.266 67 A C 0.175 177.710 177.584 -0.082 0.000 1.119 67 A CA -0.157 51.857 52.037 -0.038 0.000 0.786 67 A CB -1.039 17.949 19.000 -0.021 0.000 1.061 67 A HN 0.475 nan 8.150 nan 0.000 0.503 68 N N 2.236 120.803 118.700 -0.221 0.000 3.229 68 N HA 0.309 5.044 4.740 -0.009 0.000 0.275 68 N C -1.242 173.932 175.510 -0.559 0.000 1.225 68 N CA -0.120 52.559 53.050 -0.619 0.000 1.119 68 N CB 0.760 38.645 38.487 -1.003 0.000 1.392 68 N HN 0.348 nan 8.380 nan 0.000 0.520 69 V N 1.963 121.817 119.914 -0.100 0.000 2.409 69 V HA 0.075 4.189 4.120 -0.009 0.000 0.290 69 V C 0.042 176.270 176.094 0.223 0.000 1.017 69 V CA -0.997 61.336 62.300 0.055 0.000 0.841 69 V CB 1.463 33.232 31.823 -0.089 0.000 1.003 69 V HN 0.480 nan 8.190 nan 0.000 0.426 70 D N 3.324 123.936 120.400 0.353 0.000 2.380 70 D HA 0.052 4.687 4.640 -0.009 0.000 0.254 70 D C 0.963 177.380 176.300 0.195 0.000 1.288 70 D CA -0.318 53.846 54.000 0.275 0.000 1.008 70 D CB 0.837 41.761 40.800 0.207 0.000 1.099 70 D HN 0.472 nan 8.370 nan 0.000 0.537 71 E N -1.422 118.879 120.200 0.169 0.000 2.153 71 E HA -0.156 4.189 4.350 -0.009 0.000 0.194 71 E C 0.658 177.258 176.600 0.000 0.000 0.988 71 E CA 1.085 57.531 56.400 0.076 0.000 0.811 71 E CB -0.514 29.169 29.700 -0.029 0.000 0.746 71 E HN 0.471 nan 8.360 nan 0.000 0.466 72 Y N 0.187 120.553 120.300 0.111 0.000 2.718 72 Y HA 0.290 4.834 4.550 -0.009 0.000 0.322 72 Y C 1.357 177.463 175.900 0.345 0.000 1.122 72 Y CA -0.063 58.131 58.100 0.157 0.000 1.348 72 Y CB 0.281 38.746 38.460 0.008 0.000 1.174 72 Y HN 0.088 nan 8.280 nan 0.000 0.523 73 G N 1.249 110.286 108.800 0.395 0.000 2.337 73 G HA2 -0.342 3.612 3.960 -0.009 0.000 0.290 73 G HA3 -0.342 3.612 3.960 -0.009 0.000 0.290 73 G C 0.271 175.326 174.900 0.259 0.000 1.003 73 G CA -0.022 45.210 45.100 0.221 0.000 0.825 73 G HN 0.395 nan 8.290 nan 0.000 0.509 74 R N -0.913 119.773 120.500 0.310 0.000 2.404 74 R HA 0.597 4.931 4.340 -0.009 0.000 0.291 74 R C -0.150 176.369 176.300 0.365 0.000 1.025 74 R CA -0.548 55.803 56.100 0.418 0.000 0.991 74 R CB 2.323 32.800 30.300 0.296 0.000 1.053 74 R HN 0.334 nan 8.270 nan 0.000 0.479 75 V N 4.630 124.754 119.914 0.351 0.000 2.459 75 V HA 0.541 4.656 4.120 -0.009 0.000 0.295 75 V C -1.234 174.999 176.094 0.233 0.000 1.029 75 V CA -0.399 62.012 62.300 0.185 0.000 0.874 75 V CB 0.864 32.720 31.823 0.055 0.000 0.985 75 V HN 0.788 nan 8.190 nan 0.000 0.438 76 Y N 4.472 124.839 120.300 0.110 0.000 2.857 76 Y HA 0.949 5.493 4.550 -0.009 0.000 0.318 76 Y C 1.027 176.980 175.900 0.087 0.000 1.313 76 Y CA -0.330 57.832 58.100 0.103 0.000 1.117 76 Y CB 0.678 39.202 38.460 0.106 0.000 1.344 76 Y HN 1.248 nan 8.280 nan 0.000 0.525 77 G N 1.802 110.777 108.800 0.292 0.000 2.698 77 G HA2 -0.505 3.450 3.960 -0.009 0.000 0.337 77 G HA3 -0.505 3.450 3.960 -0.009 0.000 0.337 77 G C 0.774 175.720 174.900 0.077 0.000 1.196 77 G CA 1.424 46.637 45.100 0.189 0.000 0.965 77 G HN 1.449 nan 8.290 nan 0.000 0.550 78 N N 2.430 121.145 118.700 0.024 0.000 2.494 78 N HA 0.331 5.066 4.740 -0.009 0.000 0.182 78 N C 1.934 177.483 175.510 0.065 0.000 1.076 78 N CA 2.048 55.153 53.050 0.092 0.000 0.908 78 N CB -0.240 38.355 38.487 0.180 0.000 0.967 78 N HN 2.332 nan 8.380 nan 0.000 0.449 79 G N -1.043 107.759 108.800 0.004 0.000 2.241 79 G HA2 -0.267 3.687 3.960 -0.009 0.000 0.244 79 G HA3 -0.267 3.687 3.960 -0.009 0.000 0.244 79 G C -0.247 174.647 174.900 -0.009 0.000 0.998 79 G CA 0.232 45.339 45.100 0.010 0.000 0.621 79 G HN 0.333 nan 8.290 nan 0.000 0.519 80 V N 2.076 121.984 119.914 -0.010 0.000 2.470 80 V HA 0.391 4.505 4.120 -0.009 0.000 0.276 80 V C 1.506 177.542 176.094 -0.097 0.000 1.040 80 V CA 0.994 63.270 62.300 -0.039 0.000 1.008 80 V CB 1.088 32.938 31.823 0.046 0.000 0.990 80 V HN 0.642 nan 8.190 nan 0.000 0.477 81 R N 2.902 123.332 120.500 -0.117 0.000 2.468 81 R HA 0.428 4.762 4.340 -0.009 0.000 0.280 81 R C 0.358 176.600 176.300 -0.098 0.000 0.963 81 R CA 0.198 56.244 56.100 -0.089 0.000 1.083 81 R CB 0.701 30.971 30.300 -0.050 0.000 1.200 81 R HN 0.663 nan 8.270 nan 0.000 0.541 82 T N -0.594 113.844 114.554 -0.192 0.000 2.660 82 T HA 0.106 4.451 4.350 -0.009 0.000 0.299 82 T C -1.667 172.816 174.700 -0.361 0.000 1.763 82 T CA -0.608 61.376 62.100 -0.193 0.000 0.959 82 T CB 0.212 68.992 68.868 -0.146 0.000 1.935 82 T HN 0.447 nan 8.240 nan 0.000 0.470 83 N N 0.126 118.656 118.700 -0.284 0.000 2.347 83 N HA 0.374 5.109 4.740 -0.009 0.000 0.253 83 N C -0.112 175.052 175.510 -0.578 0.000 1.274 83 N CA -0.183 52.628 53.050 -0.398 0.000 0.941 83 N CB -0.012 38.304 38.487 -0.285 0.000 1.200 83 N HN 0.501 nan 8.380 nan 0.000 0.514 84 F N -1.771 117.900 119.950 -0.464 0.000 2.668 84 F HA 0.391 4.912 4.527 -0.009 0.000 0.301 84 F C 0.368 176.013 175.800 -0.260 0.000 1.106 84 F CA -0.499 57.329 58.000 -0.287 0.000 1.289 84 F CB -0.259 38.603 39.000 -0.231 0.000 1.006 84 F HN 0.372 nan 8.300 nan 0.000 0.535 85 F N -0.467 119.495 119.950 0.020 0.000 2.802 85 F HA 0.085 4.607 4.527 -0.009 0.000 0.300 85 F C 2.284 177.966 175.800 -0.197 0.000 1.168 85 F CA 0.151 58.060 58.000 -0.152 0.000 1.433 85 F CB -0.365 38.510 39.000 -0.208 0.000 1.115 85 F HN 0.135 nan 8.300 nan 0.000 0.582 86 G N 1.439 110.274 108.800 0.059 0.000 2.450 86 G HA2 -0.293 3.662 3.960 -0.009 0.000 0.220 86 G HA3 -0.293 3.662 3.960 -0.009 0.000 0.220 86 G C 1.655 176.613 174.900 0.098 0.000 1.130 86 G CA 0.907 46.052 45.100 0.076 0.000 0.760 86 G HN 0.493 nan 8.290 nan 0.000 0.557 87 M N -0.451 119.205 119.600 0.094 0.000 2.630 87 M HA 0.241 4.715 4.480 -0.009 0.000 0.254 87 M C 1.461 177.822 176.300 0.101 0.000 1.092 87 M CA 0.728 56.121 55.300 0.155 0.000 1.087 87 M CB 0.007 32.715 32.600 0.179 0.000 1.453 87 M HN -0.097 nan 8.290 nan 0.000 0.509 88 R N 1.805 122.191 120.500 -0.190 0.000 4.624 88 R HA 0.160 4.495 4.340 -0.009 0.000 0.214 88 R C -0.703 175.451 176.300 -0.243 0.000 2.026 88 R CA 0.036 55.808 56.100 -0.546 0.000 1.676 88 R CB -0.486 29.165 30.300 -1.083 0.000 1.291 88 R HN 0.483 nan 8.270 nan 0.000 0.739 89 H N 0.211 119.512 119.070 0.386 0.000 2.621 89 H HA 0.227 4.778 4.556 -0.008 0.000 0.360 89 H C 0.387 175.946 175.328 0.386 0.000 1.163 89 H CA -0.887 55.395 56.048 0.390 0.000 1.194 89 H CB 1.668 31.582 29.762 0.252 0.000 1.649 89 H HN -0.059 nan 8.280 nan 0.000 0.532 90 M N 2.489 122.364 119.600 0.458 0.000 3.436 90 M HA 0.035 4.510 4.480 -0.009 0.000 0.240 90 M C -0.182 176.351 176.300 0.388 0.000 1.469 90 M CA -0.376 55.135 55.300 0.352 0.000 1.622 90 M CB -1.505 31.259 32.600 0.273 0.000 1.098 90 M HN 0.303 nan 8.290 nan 0.000 0.568 91 N N 2.201 121.092 118.700 0.319 0.000 2.223 91 N HA 0.044 4.779 4.740 -0.009 0.000 0.271 91 N C 1.349 176.913 175.510 0.090 0.000 1.315 91 N CA 1.222 54.394 53.050 0.202 0.000 0.835 91 N CB 0.304 38.905 38.487 0.191 0.000 1.066 91 N HN 0.891 nan 8.380 nan 0.000 0.486 92 G N 0.834 109.622 108.800 -0.020 0.000 2.192 92 G HA2 -0.200 3.755 3.960 -0.009 0.000 0.193 92 G HA3 -0.200 3.755 3.960 -0.009 0.000 0.193 92 G C -0.417 174.221 174.900 -0.438 0.000 0.999 92 G CA -0.607 44.345 45.100 -0.247 0.000 0.659 92 G HN 0.446 nan 8.290 nan 0.000 0.503 93 F N 1.844 121.796 119.950 0.003 0.000 2.493 93 F HA 0.595 5.117 4.527 -0.008 0.000 0.329 93 F C -2.198 173.633 175.800 0.053 0.000 1.126 93 F CA -2.273 55.744 58.000 0.028 0.000 0.937 93 F CB 2.764 41.793 39.000 0.049 0.000 1.146 93 F HN -0.146 nan 8.300 nan 0.000 0.442 94 P HA 0.350 nan 4.420 nan 0.000 0.282 94 P C -0.715 176.696 177.300 0.184 0.000 1.259 94 P CA -0.892 62.301 63.100 0.154 0.000 0.826 94 P CB 0.848 32.628 31.700 0.133 0.000 1.064 95 M N 0.464 120.129 119.600 0.108 0.000 2.232 95 M HA 0.392 4.867 4.480 -0.009 0.000 0.321 95 M C -0.280 176.074 176.300 0.089 0.000 1.101 95 M CA 0.679 56.038 55.300 0.097 0.000 1.181 95 M CB -0.153 32.473 32.600 0.043 0.000 1.432 95 M HN 0.032 nan 8.290 nan 0.000 0.457 96 I N 2.394 123.013 120.570 0.081 0.000 2.436 96 I HA 0.576 4.741 4.170 -0.009 0.000 0.289 96 I C -2.259 173.897 176.117 0.064 0.000 1.010 96 I CA -2.300 59.032 61.300 0.053 0.000 1.098 96 I CB 1.567 39.584 38.000 0.030 0.000 1.266 96 I HN 0.615 nan 8.210 nan 0.000 0.434 97 P HA 0.530 nan 4.420 nan 0.000 0.325 97 P C -0.837 176.407 177.300 -0.093 0.000 1.298 97 P CA -0.481 62.614 63.100 -0.008 0.000 0.771 97 P CB 1.086 32.815 31.700 0.048 0.000 1.389 98 A N -0.813 121.875 122.820 -0.220 0.000 2.242 98 A HA 0.543 4.858 4.320 -0.009 0.000 0.304 98 A C 0.192 177.615 177.584 -0.268 0.000 1.100 98 A CA -0.233 51.578 52.037 -0.377 0.000 0.860 98 A CB -0.472 17.969 19.000 -0.932 0.000 1.168 98 A HN 0.507 nan 8.150 nan 0.000 0.503 99 T N -0.211 114.228 114.554 -0.191 0.000 2.869 99 T HA 0.358 4.703 4.350 -0.009 0.000 0.295 99 T C -0.817 173.915 174.700 0.053 0.000 0.987 99 T CA -0.130 61.940 62.100 -0.049 0.000 1.109 99 T CB -0.151 68.684 68.868 -0.055 0.000 0.932 99 T HN 0.346 nan 8.240 nan 0.000 0.518 100 W N 6.929 128.252 121.300 0.038 0.000 2.304 100 W HA 0.315 4.970 4.660 -0.010 0.000 0.313 100 W C -1.708 174.846 176.519 0.059 0.000 1.323 100 W CA -1.976 55.431 57.345 0.104 0.000 1.223 100 W CB 0.204 29.747 29.460 0.139 0.000 1.237 100 W HN 0.551 nan 8.180 nan 0.000 0.535 101 P HA -0.027 nan 4.420 nan 0.000 0.267 101 P C -0.593 176.790 177.300 0.138 0.000 1.200 101 P CA -0.232 62.942 63.100 0.124 0.000 0.772 101 P CB 0.988 32.724 31.700 0.061 0.000 0.855 102 L N 2.571 123.838 121.223 0.073 0.000 2.313 102 L HA 0.206 4.541 4.340 -0.009 0.000 0.282 102 L C 1.626 178.519 176.870 0.039 0.000 1.092 102 L CA 0.280 55.160 54.840 0.067 0.000 0.831 102 L CB 0.263 42.343 42.059 0.035 0.000 1.159 102 L HN 0.497 nan 8.230 nan 0.000 0.442 103 A N 2.674 125.514 122.820 0.034 0.000 2.016 103 A HA 0.090 4.405 4.320 -0.009 0.000 0.217 103 A C 1.010 178.597 177.584 0.004 0.000 1.162 103 A CA 0.941 52.990 52.037 0.019 0.000 0.662 103 A CB -0.029 18.971 19.000 0.001 0.000 0.812 103 A HN 0.579 nan 8.150 nan 0.000 0.450 104 S N -0.319 115.379 115.700 -0.005 0.000 2.668 104 S HA 0.352 4.817 4.470 -0.009 0.000 0.277 104 S C -0.081 174.516 174.600 -0.005 0.000 1.170 104 S CA -0.399 57.799 58.200 -0.003 0.000 0.994 104 S CB 0.696 63.890 63.200 -0.011 0.000 1.051 104 S HN 0.478 nan 8.310 nan 0.000 0.484 105 N N 5.751 124.452 118.700 0.001 0.000 2.322 105 N HA 0.089 4.824 4.740 -0.009 0.000 0.194 105 N C 1.162 176.690 175.510 0.030 0.000 1.126 105 N CA 0.022 53.065 53.050 -0.012 0.000 0.845 105 N CB -0.329 38.136 38.487 -0.037 0.000 0.976 105 N HN 0.613 nan 8.380 nan 0.000 0.475 106 L N 0.245 121.491 121.223 0.038 0.000 2.017 106 L HA -0.083 4.252 4.340 -0.009 0.000 0.208 106 L C 2.632 179.539 176.870 0.061 0.000 1.073 106 L CA 1.390 56.267 54.840 0.062 0.000 0.745 106 L CB -0.382 41.708 42.059 0.051 0.000 0.894 106 L HN 0.214 nan 8.230 nan 0.000 0.432 107 K N 0.823 121.241 120.400 0.030 0.000 2.057 107 K HA -0.226 4.088 4.320 -0.009 0.000 0.206 107 K C 2.235 178.870 176.600 0.059 0.000 1.050 107 K CA 1.318 57.621 56.287 0.028 0.000 0.935 107 K CB 0.020 32.510 32.500 -0.015 0.000 0.715 107 K HN 0.065 nan 8.250 nan 0.000 0.439 108 K N 0.685 121.118 120.400 0.055 0.000 2.074 108 K HA -0.205 4.109 4.320 -0.009 0.000 0.209 108 K C 2.104 178.840 176.600 0.227 0.000 1.048 108 K CA 1.636 57.972 56.287 0.083 0.000 0.926 108 K CB -0.012 32.453 32.500 -0.059 0.000 0.713 108 K HN 0.115 nan 8.250 nan 0.000 0.444 109 R N -0.566 120.077 120.500 0.238 0.000 2.090 109 R HA -0.013 4.322 4.340 -0.009 0.000 0.228 109 R C 2.345 178.766 176.300 0.201 0.000 1.110 109 R CA 1.040 57.335 56.100 0.325 0.000 0.973 109 R CB -0.136 30.326 30.300 0.269 0.000 0.869 109 R HN 0.275 nan 8.270 nan 0.000 0.440 110 A N 1.141 124.044 122.820 0.140 0.000 1.897 110 A HA -0.126 4.189 4.320 -0.009 0.000 0.215 110 A C 1.410 179.045 177.584 0.085 0.000 1.181 110 A CA 1.380 53.473 52.037 0.094 0.000 0.620 110 A CB -0.239 18.801 19.000 0.068 0.000 0.821 110 A HN 0.119 nan 8.150 nan 0.000 0.443 111 D N 0.206 120.663 120.400 0.095 0.000 2.265 111 D HA -0.016 4.619 4.640 -0.009 0.000 0.208 111 D C 1.548 177.909 176.300 0.102 0.000 0.977 111 D CA 1.288 55.341 54.000 0.088 0.000 0.871 111 D CB -0.132 40.723 40.800 0.092 0.000 0.925 111 D HN 0.438 nan 8.370 nan 0.000 0.485 112 A N -0.079 122.820 122.820 0.133 0.000 2.423 112 A HA 0.054 4.368 4.320 -0.009 0.000 0.246 112 A C 0.115 177.722 177.584 0.037 0.000 1.278 112 A CA -0.160 51.940 52.037 0.104 0.000 0.903 112 A CB 0.158 19.255 19.000 0.161 0.000 0.997 112 A HN -0.009 nan 8.150 nan 0.000 0.510 113 D N -0.254 120.172 120.400 0.044 0.000 2.737 113 D HA -0.131 4.503 4.640 -0.009 0.000 0.238 113 D C -0.745 175.554 176.300 -0.001 0.000 1.157 113 D CA 0.949 54.959 54.000 0.018 0.000 0.694 113 D CB -0.842 39.962 40.800 0.007 0.000 1.021 113 D HN 0.434 nan 8.370 nan 0.000 0.420 114 L N -0.118 121.121 121.223 0.026 0.000 2.341 114 L HA 0.718 5.053 4.340 -0.009 0.000 0.267 114 L C 0.699 177.611 176.870 0.071 0.000 1.009 114 L CA -0.919 53.940 54.840 0.031 0.000 0.819 114 L CB 1.695 43.784 42.059 0.050 0.000 1.323 114 L HN 0.080 nan 8.230 nan 0.000 0.425 115 A N 0.355 123.218 122.820 0.072 0.000 2.407 115 A HA 0.269 4.583 4.320 -0.009 0.000 0.248 115 A C 0.284 177.937 177.584 0.114 0.000 1.082 115 A CA -0.248 51.810 52.037 0.035 0.000 0.785 115 A CB 0.122 19.083 19.000 -0.065 0.000 1.020 115 A HN 0.842 nan 8.150 nan 0.000 0.489 116 D N 0.610 120.961 120.400 -0.083 0.000 2.336 116 D HA 0.398 5.033 4.640 -0.009 0.000 0.228 116 D C 0.396 176.166 176.300 -0.882 0.000 1.120 116 D CA 0.651 54.552 54.000 -0.164 0.000 0.839 116 D CB -0.185 40.582 40.800 -0.055 0.000 0.932 116 D HN 0.986 nan 8.370 nan 0.000 0.509 117 G N -0.219 107.733 108.800 -1.415 0.000 2.328 117 G HA2 0.287 4.242 3.960 -0.009 0.000 0.299 117 G HA3 0.287 4.242 3.960 -0.009 0.000 0.299 117 G C -3.241 171.020 174.900 -1.066 0.000 1.435 117 G CA -1.145 42.826 45.100 -1.882 0.000 0.865 117 G HN -0.116 nan 8.290 nan 0.000 0.601 118 P HA 0.198 nan 4.420 nan 0.000 0.264 118 P C 1.135 178.431 177.300 -0.006 0.000 1.193 118 P CA 0.015 63.084 63.100 -0.050 0.000 0.763 118 P CB 1.451 33.206 31.700 0.091 0.000 0.810 119 V N 2.393 122.385 119.914 0.130 0.000 2.649 119 V HA -0.006 4.108 4.120 -0.009 0.000 0.248 119 V C 0.603 176.695 176.094 -0.003 0.000 1.054 119 V CA 1.874 64.172 62.300 -0.003 0.000 1.073 119 V CB -0.288 31.494 31.823 -0.068 0.000 0.699 119 V HN 0.611 nan 8.190 nan 0.000 0.463 120 S N -0.707 115.013 115.700 0.034 0.000 2.664 120 S HA 0.510 4.974 4.470 -0.009 0.000 0.304 120 S C 0.557 175.160 174.600 0.005 0.000 1.099 120 S CA 0.130 58.332 58.200 0.003 0.000 1.003 120 S CB 1.618 64.814 63.200 -0.006 0.000 1.092 120 S HN 0.297 nan 8.310 nan 0.000 0.525 121 E N 0.782 120.974 120.200 -0.012 0.000 2.268 121 E HA -0.094 4.251 4.350 -0.009 0.000 0.195 121 E C 1.975 178.564 176.600 -0.018 0.000 0.995 121 E CA 1.108 57.501 56.400 -0.011 0.000 0.836 121 E CB -0.124 29.565 29.700 -0.019 0.000 0.763 121 E HN 0.668 nan 8.360 nan 0.000 0.491 122 R N 0.293 120.773 120.500 -0.034 0.000 2.066 122 R HA -0.144 4.191 4.340 -0.009 0.000 0.232 122 R C 1.233 177.491 176.300 -0.069 0.000 1.131 122 R CA 1.845 57.909 56.100 -0.060 0.000 0.955 122 R CB -0.284 29.968 30.300 -0.081 0.000 0.851 122 R HN 0.146 nan 8.270 nan 0.000 0.432 123 D N 0.448 120.823 120.400 -0.042 0.000 2.104 123 D HA -0.187 4.447 4.640 -0.009 0.000 0.194 123 D C 1.594 177.870 176.300 -0.040 0.000 0.994 123 D CA 1.413 55.361 54.000 -0.086 0.000 0.830 123 D CB -0.666 40.206 40.800 0.120 0.000 0.959 123 D HN 0.286 nan 8.370 nan 0.000 0.452 124 N N -0.001 118.746 118.700 0.078 0.000 2.192 124 N HA -0.122 4.613 4.740 -0.009 0.000 0.188 124 N C 1.780 177.341 175.510 0.086 0.000 1.013 124 N CA 0.750 53.880 53.050 0.133 0.000 0.863 124 N CB -0.187 38.343 38.487 0.071 0.000 0.990 124 N HN 0.151 nan 8.380 nan 0.000 0.430 125 L N -0.298 120.931 121.223 0.011 0.000 2.044 125 L HA -0.074 4.261 4.340 -0.009 0.000 0.205 125 L C 2.176 179.030 176.870 -0.026 0.000 1.075 125 L CA 0.693 55.531 54.840 -0.003 0.000 0.747 125 L CB -0.400 41.642 42.059 -0.027 0.000 0.903 125 L HN 0.227 nan 8.230 nan 0.000 0.435 126 L N -1.343 119.812 121.223 -0.114 0.000 2.083 126 L HA -0.223 4.112 4.340 -0.009 0.000 0.209 126 L C 2.508 179.290 176.870 -0.148 0.000 1.083 126 L CA 1.457 56.184 54.840 -0.188 0.000 0.752 126 L CB -0.532 41.340 42.059 -0.313 0.000 0.899 126 L HN 0.155 nan 8.230 nan 0.000 0.433 127 F N 0.166 120.132 119.950 0.026 0.000 2.051 127 F HA -0.185 4.337 4.527 -0.008 0.000 0.296 127 F C 2.767 178.604 175.800 0.061 0.000 1.122 127 F CA 1.046 59.077 58.000 0.052 0.000 1.201 127 F CB -0.313 38.722 39.000 0.058 0.000 0.978 127 F HN -0.123 nan 8.300 nan 0.000 0.472 128 R N 0.283 120.926 120.500 0.238 0.000 2.200 128 R HA -0.157 4.178 4.340 -0.009 0.000 0.234 128 R C 2.182 178.543 176.300 0.103 0.000 1.127 128 R CA 0.884 57.070 56.100 0.144 0.000 0.989 128 R CB -0.618 29.744 30.300 0.102 0.000 0.869 128 R HN 0.319 nan 8.270 nan 0.000 0.459 129 A N 1.265 124.124 122.820 0.064 0.000 1.874 129 A HA 0.012 4.327 4.320 -0.009 0.000 0.214 129 A C 2.411 180.025 177.584 0.050 0.000 1.189 129 A CA 1.169 53.218 52.037 0.019 0.000 0.615 129 A CB -0.634 18.328 19.000 -0.063 0.000 0.830 129 A HN 0.329 nan 8.150 nan 0.000 0.443 130 A N -0.244 122.619 122.820 0.071 0.000 1.903 130 A HA -0.153 4.162 4.320 -0.009 0.000 0.219 130 A C 2.218 180.019 177.584 0.362 0.000 1.191 130 A CA 2.180 54.389 52.037 0.287 0.000 0.638 130 A CB -1.240 18.025 19.000 0.441 0.000 0.823 130 A HN 0.489 nan 8.150 nan 0.000 0.451 131 V N -0.031 120.054 119.914 0.286 0.000 2.380 131 V HA -0.321 3.794 4.120 -0.009 0.000 0.251 131 V C 2.697 178.975 176.094 0.307 0.000 1.063 131 V CA 2.445 64.916 62.300 0.284 0.000 1.055 131 V CB -0.830 31.053 31.823 0.101 0.000 0.657 131 V HN 0.559 nan 8.190 nan 0.000 0.455 132 R N -0.559 120.070 120.500 0.215 0.000 2.062 132 R HA 0.028 4.363 4.340 -0.009 0.000 0.226 132 R C 2.300 178.741 176.300 0.234 0.000 1.125 132 R CA 1.106 57.322 56.100 0.194 0.000 0.966 132 R CB -0.365 30.012 30.300 0.128 0.000 0.861 132 R HN 0.400 nan 8.270 nan 0.000 0.433 133 L N 0.347 121.722 121.223 0.254 0.000 2.046 133 L HA -0.163 4.171 4.340 -0.009 0.000 0.208 133 L C 2.558 179.643 176.870 0.358 0.000 1.077 133 L CA 1.525 56.569 54.840 0.341 0.000 0.747 133 L CB -0.468 41.826 42.059 0.391 0.000 0.896 133 L HN 0.249 nan 8.230 nan 0.000 0.432 134 M N -1.174 118.612 119.600 0.309 0.000 2.132 134 M HA -0.132 4.343 4.480 -0.009 0.000 0.263 134 M C 1.140 177.348 176.300 -0.155 0.000 1.065 134 M CA 1.828 57.160 55.300 0.052 0.000 1.122 134 M CB -0.017 32.559 32.600 -0.040 0.000 1.365 134 M HN 0.061 nan 8.290 nan 0.000 0.411 135 F N -0.417 119.578 119.950 0.074 0.000 2.684 135 F HA 0.148 4.670 4.527 -0.009 0.000 0.298 135 F C 1.900 177.788 175.800 0.147 0.000 1.120 135 F CA -0.328 57.710 58.000 0.063 0.000 1.332 135 F CB -0.440 38.499 39.000 -0.101 0.000 0.986 135 F HN 0.108 nan 8.300 nan 0.000 0.524 136 S N -0.918 114.914 115.700 0.219 0.000 2.294 136 S HA 0.011 4.476 4.470 -0.009 0.000 0.182 136 S C 0.514 175.165 174.600 0.085 0.000 1.053 136 S CA 0.425 58.723 58.200 0.163 0.000 1.161 136 S CB -0.276 63.012 63.200 0.147 0.000 0.890 136 S HN 0.090 nan 8.310 nan 0.000 0.448 137 D N 2.238 122.669 120.400 0.051 0.000 2.499 137 D HA 0.460 5.095 4.640 -0.009 0.000 0.225 137 D C -1.033 175.260 176.300 -0.011 0.000 1.124 137 D CA 0.033 54.039 54.000 0.010 0.000 0.938 137 D CB 0.498 41.302 40.800 0.007 0.000 1.014 137 D HN 0.325 nan 8.370 nan 0.000 0.517 138 L N 1.795 123.004 121.223 -0.023 0.000 2.295 138 L HA 0.274 4.609 4.340 -0.009 0.000 0.285 138 L C 0.731 177.579 176.870 -0.037 0.000 1.035 138 L CA -0.734 54.086 54.840 -0.033 0.000 0.806 138 L CB 1.541 43.580 42.059 -0.033 0.000 1.214 138 L HN -0.041 nan 8.230 nan 0.000 0.426 139 E N 3.660 123.843 120.200 -0.029 0.000 2.174 139 E HA 0.332 4.677 4.350 -0.009 0.000 0.282 139 E C -2.368 174.227 176.600 -0.009 0.000 0.992 139 E CA -2.021 54.365 56.400 -0.022 0.000 0.803 139 E CB 1.171 30.858 29.700 -0.021 0.000 1.090 139 E HN 0.264 nan 8.360 nan 0.000 0.396 140 P HA -0.021 nan 4.420 nan 0.000 0.267 140 P C -0.280 177.035 177.300 0.025 0.000 1.209 140 P CA -0.027 63.086 63.100 0.021 0.000 0.763 140 P CB 0.589 32.303 31.700 0.023 0.000 0.816 141 V N 1.794 121.732 119.914 0.040 0.000 3.155 141 V HA 0.824 4.939 4.120 -0.009 0.000 0.313 141 V C -2.822 173.299 176.094 0.045 0.000 1.162 141 V CA -3.139 59.181 62.300 0.033 0.000 1.048 141 V CB 1.737 33.575 31.823 0.026 0.000 1.092 141 V HN 0.190 nan 8.190 nan 0.000 0.447 142 P HA 0.310 nan 4.420 nan 0.000 0.275 142 P C -0.461 176.874 177.300 0.057 0.000 1.227 142 P CA -0.235 62.887 63.100 0.037 0.000 0.781 142 P CB 0.473 32.181 31.700 0.012 0.000 0.906 143 L N 3.742 125.005 121.223 0.065 0.000 2.462 143 L HA 0.096 4.430 4.340 -0.009 0.000 0.283 143 L C 0.297 177.224 176.870 0.095 0.000 1.166 143 L CA -0.338 54.552 54.840 0.084 0.000 0.964 143 L CB -0.208 41.893 42.059 0.070 0.000 1.294 143 L HN 0.201 nan 8.230 nan 0.000 0.449 144 K N 5.634 126.100 120.400 0.110 0.000 2.326 144 K HA 0.411 4.725 4.320 -0.009 0.000 0.275 144 K C -0.306 176.377 176.600 0.138 0.000 1.018 144 K CA -0.095 56.266 56.287 0.124 0.000 0.962 144 K CB 1.692 34.303 32.500 0.185 0.000 0.953 144 K HN 0.564 nan 8.250 nan 0.000 0.475 145 I N 1.699 122.345 120.570 0.127 0.000 2.740 145 I HA 0.310 4.474 4.170 -0.009 0.000 0.303 145 I C -0.000 176.153 176.117 0.061 0.000 1.044 145 I CA -1.321 60.053 61.300 0.122 0.000 1.064 145 I CB 2.177 40.263 38.000 0.143 0.000 1.249 145 I HN 0.330 nan 8.210 nan 0.000 0.433 146 R N 4.444 124.956 120.500 0.020 0.000 2.265 146 R HA 0.323 4.658 4.340 -0.009 0.000 0.319 146 R C -0.797 175.477 176.300 -0.043 0.000 1.006 146 R CA -0.398 55.691 56.100 -0.019 0.000 0.880 146 R CB 0.740 31.028 30.300 -0.021 0.000 1.077 146 R HN 0.410 nan 8.270 nan 0.000 0.454 147 K N 2.768 123.144 120.400 -0.040 0.000 2.414 147 K HA 0.229 4.544 4.320 -0.009 0.000 0.272 147 K C 0.201 176.757 176.600 -0.073 0.000 0.993 147 K CA 0.849 57.106 56.287 -0.051 0.000 0.964 147 K CB 0.458 32.938 32.500 -0.034 0.000 0.925 147 K HN 0.915 nan 8.250 nan 0.000 0.487 148 G N 1.814 110.565 108.800 -0.083 0.000 2.370 148 G HA2 -0.253 3.702 3.960 -0.009 0.000 0.293 148 G HA3 -0.253 3.702 3.960 -0.009 0.000 0.293 148 G C -0.343 174.498 174.900 -0.099 0.000 0.992 148 G CA 0.621 45.667 45.100 -0.090 0.000 1.247 148 G HN 0.623 nan 8.290 nan 0.000 0.505 149 S N -1.381 114.252 115.700 -0.111 0.000 2.540 149 S HA 0.775 5.240 4.470 -0.009 0.000 0.275 149 S C -0.381 174.128 174.600 -0.152 0.000 1.123 149 S CA 0.018 58.150 58.200 -0.115 0.000 0.907 149 S CB 2.250 65.382 63.200 -0.114 0.000 1.081 149 S HN 1.120 nan 8.310 nan 0.000 0.476 150 S N 1.331 116.955 115.700 -0.127 0.000 2.513 150 S HA 0.359 4.824 4.470 -0.009 0.000 0.276 150 S C 1.575 176.022 174.600 -0.255 0.000 1.254 150 S CA 0.115 58.227 58.200 -0.147 0.000 1.053 150 S CB 0.722 63.882 63.200 -0.067 0.000 0.958 150 S HN 1.027 nan 8.310 nan 0.000 0.491 151 T N 2.636 117.007 114.554 -0.306 0.000 3.007 151 T HA -0.035 4.309 4.350 -0.009 0.000 0.270 151 T C 1.192 175.693 174.700 -0.331 0.000 1.107 151 T CA 0.960 62.864 62.100 -0.327 0.000 1.118 151 T CB -1.167 67.583 68.868 -0.196 0.000 0.889 151 T HN 0.812 nan 8.240 nan 0.000 0.506 152 C N -0.024 118.901 119.300 -0.624 0.000 0.168 152 C HA -0.225 4.230 4.460 -0.009 0.000 0.017 152 C C 1.018 175.236 174.990 -1.287 0.000 0.171 152 C CA -0.783 57.466 59.018 -1.282 0.000 0.499 152 C CB -1.709 25.672 27.740 -0.599 0.000 3.212 152 C HN 0.736 nan 8.230 nan 0.000 1.118 153 I N 2.806 122.818 120.570 -0.930 0.000 2.828 153 I HA 0.060 4.225 4.170 -0.009 0.000 0.292 153 I C -1.457 174.445 176.117 -0.358 0.000 1.206 153 I CA 0.112 61.099 61.300 -0.523 0.000 1.420 153 I CB 0.149 37.966 38.000 -0.305 0.000 1.368 153 I HN 0.526 nan 8.210 nan 0.000 0.556 154 P HA 0.133 nan 4.420 nan 0.000 0.282 154 P C 0.290 177.439 177.300 -0.251 0.000 1.373 154 P CA 0.318 63.181 63.100 -0.395 0.000 1.001 154 P CB 0.301 31.702 31.700 -0.499 0.000 1.489 155 Y N -1.294 119.001 120.300 -0.008 0.000 2.500 155 Y HA 0.317 4.857 4.550 -0.015 0.000 0.284 155 Y C 0.783 176.802 175.900 0.198 0.000 1.118 155 Y CA -0.396 57.750 58.100 0.076 0.000 1.241 155 Y CB -0.695 37.755 38.460 -0.018 0.000 1.171 155 Y HN -0.301 nan 8.280 nan 0.000 0.540 156 F N 0.243 120.229 119.950 0.060 0.000 3.074 156 F HA -0.261 4.259 4.527 -0.011 0.000 0.287 156 F C 0.819 176.608 175.800 -0.019 0.000 0.932 156 F CA 0.507 58.490 58.000 -0.029 0.000 0.995 156 F CB -1.680 37.276 39.000 -0.073 0.000 0.966 156 F HN -0.025 nan 8.300 nan 0.000 0.721 157 S N -0.362 115.379 115.700 0.068 0.000 2.645 157 S HA 0.513 4.978 4.470 -0.009 0.000 0.266 157 S C 0.997 175.565 174.600 -0.054 0.000 1.258 157 S CA 0.242 58.443 58.200 0.003 0.000 0.990 157 S CB 1.108 64.282 63.200 -0.043 0.000 0.967 157 S HN 0.425 nan 8.310 nan 0.000 0.556 158 N N -0.091 118.571 118.700 -0.063 0.000 2.067 158 N HA 0.180 4.915 4.740 -0.009 0.000 0.227 158 N C -1.502 173.954 175.510 -0.090 0.000 1.348 158 N CA -0.221 52.780 53.050 -0.082 0.000 0.879 158 N CB 0.463 38.915 38.487 -0.058 0.000 1.109 158 N HN 0.548 nan 8.380 nan 0.000 0.501 159 D N 0.969 121.319 120.400 -0.085 0.000 2.358 159 D HA -0.009 4.626 4.640 -0.009 0.000 0.258 159 D C 1.188 177.426 176.300 -0.103 0.000 1.223 159 D CA -0.066 53.882 54.000 -0.086 0.000 0.886 159 D CB 0.807 41.561 40.800 -0.077 0.000 1.120 159 D HN -0.022 nan 8.370 nan 0.000 0.482 160 M N 4.111 123.645 119.600 -0.110 0.000 2.202 160 M HA -0.019 4.456 4.480 -0.009 0.000 0.262 160 M C 1.723 177.951 176.300 -0.119 0.000 1.063 160 M CA 1.968 57.191 55.300 -0.127 0.000 1.097 160 M CB -0.671 31.823 32.600 -0.176 0.000 1.382 160 M HN 0.469 nan 8.290 nan 0.000 0.413 161 G N -1.083 107.651 108.800 -0.110 0.000 2.511 161 G HA2 -0.256 3.698 3.960 -0.009 0.000 0.216 161 G HA3 -0.256 3.698 3.960 -0.009 0.000 0.216 161 G C 1.354 176.214 174.900 -0.067 0.000 1.218 161 G CA 1.648 46.696 45.100 -0.086 0.000 0.788 161 G HN 0.519 nan 8.290 nan 0.000 0.560 162 T N 0.952 115.459 114.554 -0.079 0.000 2.833 162 T HA -0.050 4.295 4.350 -0.009 0.000 0.269 162 T C 2.201 176.863 174.700 -0.062 0.000 1.054 162 T CA 1.410 63.459 62.100 -0.086 0.000 1.135 162 T CB -0.113 68.685 68.868 -0.117 0.000 0.869 162 T HN 0.302 nan 8.240 nan 0.000 0.466 163 K N 0.690 121.048 120.400 -0.069 0.000 2.002 163 K HA -0.033 4.282 4.320 -0.009 0.000 0.209 163 K C 2.263 178.920 176.600 0.095 0.000 1.048 163 K CA 1.044 57.302 56.287 -0.049 0.000 0.930 163 K CB -0.367 32.035 32.500 -0.163 0.000 0.714 163 K HN 0.245 nan 8.250 nan 0.000 0.438 164 I N 2.116 122.728 120.570 0.070 0.000 2.118 164 I HA -0.263 3.902 4.170 -0.009 0.000 0.241 164 I C 2.125 178.289 176.117 0.079 0.000 1.070 164 I CA 1.623 62.986 61.300 0.105 0.000 1.327 164 I CB -1.344 36.711 38.000 0.091 0.000 1.034 164 I HN 0.258 nan 8.210 nan 0.000 0.405 165 E N 0.511 120.733 120.200 0.036 0.000 2.130 165 E HA -0.226 4.119 4.350 -0.009 0.000 0.196 165 E C 2.362 178.979 176.600 0.028 0.000 0.998 165 E CA 1.223 57.631 56.400 0.015 0.000 0.806 165 E CB -0.139 29.548 29.700 -0.021 0.000 0.738 165 E HN 0.490 nan 8.360 nan 0.000 0.459 166 I N 0.501 121.110 120.570 0.064 0.000 2.286 166 I HA -0.213 3.952 4.170 -0.009 0.000 0.245 166 I C 2.462 178.635 176.117 0.094 0.000 1.104 166 I CA 0.742 62.106 61.300 0.105 0.000 1.397 166 I CB -0.172 37.956 38.000 0.214 0.000 1.072 166 I HN 0.091 nan 8.210 nan 0.000 0.417 167 A N 0.423 123.329 122.820 0.143 0.000 1.877 167 A HA -0.219 4.095 4.320 -0.009 0.000 0.216 167 A C 2.180 179.733 177.584 -0.051 0.000 1.186 167 A CA 1.601 53.637 52.037 -0.001 0.000 0.620 167 A CB -0.598 18.458 19.000 0.093 0.000 0.822 167 A HN 0.408 nan 8.150 nan 0.000 0.443 168 E N -0.856 119.344 120.200 0.000 0.000 2.058 168 E HA -0.255 4.090 4.350 -0.009 0.000 0.194 168 E C 2.297 178.878 176.600 -0.030 0.000 0.997 168 E CA 1.413 57.803 56.400 -0.016 0.000 0.801 168 E CB -0.179 29.529 29.700 0.014 0.000 0.746 168 E HN 0.500 nan 8.360 nan 0.000 0.450 169 R N 1.335 121.828 120.500 -0.012 0.000 2.080 169 R HA -0.153 4.182 4.340 -0.009 0.000 0.236 169 R C 2.081 178.363 176.300 -0.029 0.000 1.137 169 R CA 1.950 58.048 56.100 -0.004 0.000 0.943 169 R CB -0.807 29.505 30.300 0.020 0.000 0.846 169 R HN 0.144 nan 8.270 nan 0.000 0.431 170 A N 0.334 123.120 122.820 -0.056 0.000 2.070 170 A HA -0.058 4.257 4.320 -0.009 0.000 0.220 170 A C 2.235 179.716 177.584 -0.171 0.000 1.159 170 A CA 1.339 53.316 52.037 -0.100 0.000 0.656 170 A CB -0.516 18.401 19.000 -0.139 0.000 0.800 170 A HN 0.390 nan 8.150 nan 0.000 0.453 171 L N -1.242 119.846 121.223 -0.227 0.000 2.240 171 L HA -0.126 4.209 4.340 -0.009 0.000 0.211 171 L C 2.436 179.264 176.870 -0.071 0.000 1.106 171 L CA 1.277 55.890 54.840 -0.378 0.000 0.793 171 L CB -0.449 41.343 42.059 -0.444 0.000 0.927 171 L HN 0.496 nan 8.230 nan 0.000 0.446 172 E N -0.134 120.045 120.200 -0.036 0.000 2.033 172 E HA -0.116 4.228 4.350 -0.009 0.000 0.189 172 E C 1.598 178.160 176.600 -0.062 0.000 0.979 172 E CA 0.652 57.051 56.400 -0.002 0.000 0.802 172 E CB 0.215 29.913 29.700 -0.004 0.000 0.763 172 E HN 0.101 nan 8.360 nan 0.000 0.449 173 K N 0.572 120.906 120.400 -0.110 0.000 2.505 173 K HA 0.180 4.495 4.320 -0.009 0.000 0.192 173 K C 1.464 177.852 176.600 -0.355 0.000 1.025 173 K CA 0.295 56.415 56.287 -0.278 0.000 1.086 173 K CB 0.324 32.627 32.500 -0.329 0.000 0.840 173 K HN 0.074 nan 8.250 nan 0.000 0.514 174 A N 1.545 124.282 122.820 -0.138 0.000 1.865 174 A HA -0.251 4.064 4.320 -0.009 0.000 0.217 174 A C 2.246 179.783 177.584 -0.078 0.000 1.191 174 A CA 1.960 54.011 52.037 0.023 0.000 0.623 174 A CB -0.399 18.826 19.000 0.375 0.000 0.826 174 A HN 0.469 nan 8.150 nan 0.000 0.444 175 E N -0.274 119.652 120.200 -0.457 0.000 2.033 175 E HA -0.297 4.048 4.350 -0.009 0.000 0.199 175 E C 2.042 178.311 176.600 -0.552 0.000 1.011 175 E CA 1.659 57.379 56.400 -1.134 0.000 0.815 175 E CB -0.311 28.540 29.700 -1.415 0.000 0.755 175 E HN 0.708 nan 8.360 nan 0.000 0.451 176 E N -0.365 119.590 120.200 -0.409 0.000 2.171 176 E HA -0.267 4.078 4.350 -0.009 0.000 0.197 176 E C 1.785 178.274 176.600 -0.185 0.000 0.997 176 E CA 1.209 57.452 56.400 -0.263 0.000 0.810 176 E CB -0.183 29.387 29.700 -0.216 0.000 0.738 176 E HN 0.395 nan 8.360 nan 0.000 0.467 177 A N 0.382 123.062 122.820 -0.234 0.000 1.930 177 A HA 0.053 4.368 4.320 -0.009 0.000 0.215 177 A C 2.369 179.958 177.584 0.008 0.000 1.176 177 A CA 1.217 53.195 52.037 -0.098 0.000 0.632 177 A CB -0.840 18.079 19.000 -0.135 0.000 0.819 177 A HN 0.429 nan 8.150 nan 0.000 0.445 178 G N 0.323 109.171 108.800 0.081 0.000 2.421 178 G HA2 -0.262 3.693 3.960 -0.009 0.000 0.216 178 G HA3 -0.262 3.693 3.960 -0.009 0.000 0.216 178 G C 1.381 176.360 174.900 0.132 0.000 1.171 178 G CA 0.981 46.200 45.100 0.198 0.000 0.775 178 G HN 0.504 nan 8.290 nan 0.000 0.543 179 N N 0.467 119.229 118.700 0.103 0.000 2.205 179 N HA -0.044 4.691 4.740 -0.009 0.000 0.186 179 N C 2.209 177.714 175.510 -0.008 0.000 1.015 179 N CA 0.574 53.659 53.050 0.059 0.000 0.862 179 N CB -0.243 38.249 38.487 0.007 0.000 0.986 179 N HN 0.287 nan 8.380 nan 0.000 0.429 180 L N 0.275 121.478 121.223 -0.033 0.000 2.141 180 L HA -0.046 4.288 4.340 -0.009 0.000 0.209 180 L C 2.150 178.912 176.870 -0.180 0.000 1.094 180 L CA 0.889 55.688 54.840 -0.068 0.000 0.763 180 L CB -0.111 41.933 42.059 -0.026 0.000 0.908 180 L HN 0.166 nan 8.230 nan 0.000 0.437 181 M N -1.446 118.019 119.600 -0.225 0.000 2.394 181 M HA -0.077 4.398 4.480 -0.009 0.000 0.266 181 M C 2.057 178.122 176.300 -0.391 0.000 1.098 181 M CA 0.986 55.952 55.300 -0.556 0.000 1.149 181 M CB -0.040 32.319 32.600 -0.402 0.000 1.369 181 M HN 0.147 nan 8.290 nan 0.000 0.450 182 L N 0.175 121.320 121.223 -0.130 0.000 2.261 182 L HA -0.208 4.127 4.340 -0.009 0.000 0.216 182 L C 2.202 179.036 176.870 -0.061 0.000 1.114 182 L CA 1.206 56.024 54.840 -0.036 0.000 0.777 182 L CB -0.558 41.525 42.059 0.041 0.000 0.910 182 L HN 0.406 nan 8.230 nan 0.000 0.440 183 Q N -0.600 119.136 119.800 -0.108 0.000 2.425 183 Q HA 0.087 4.422 4.340 -0.009 0.000 0.204 183 Q C 1.453 177.391 176.000 -0.105 0.000 0.933 183 Q CA 0.575 56.331 55.803 -0.079 0.000 0.939 183 Q CB 0.601 29.303 28.738 -0.061 0.000 1.044 183 Q HN 0.595 nan 8.270 nan 0.000 0.513 184 G N 1.799 110.455 108.800 -0.239 0.000 2.157 184 G HA2 -0.256 3.699 3.960 -0.009 0.000 0.248 184 G HA3 -0.256 3.699 3.960 -0.009 0.000 0.248 184 G C 0.046 174.847 174.900 -0.167 0.000 0.979 184 G CA -0.155 44.835 45.100 -0.183 0.000 0.650 184 G HN 0.211 nan 8.290 nan 0.000 0.529 185 K N 0.526 120.779 120.400 -0.246 0.000 2.518 185 K HA 0.460 4.775 4.320 -0.009 0.000 0.244 185 K C 0.688 177.218 176.600 -0.117 0.000 1.232 185 K CA -0.602 55.621 56.287 -0.107 0.000 1.189 185 K CB -0.169 32.293 32.500 -0.064 0.000 1.737 185 K HN 0.290 nan 8.250 nan 0.000 0.333 186 F N 0.719 120.694 119.950 0.042 0.000 2.234 186 F HA -0.122 4.400 4.527 -0.009 0.000 0.296 186 F C 1.790 177.625 175.800 0.058 0.000 1.089 186 F CA 0.916 58.942 58.000 0.043 0.000 1.343 186 F CB 0.217 39.228 39.000 0.018 0.000 1.040 186 F HN 0.310 nan 8.300 nan 0.000 0.498 187 D N 0.356 120.889 120.400 0.222 0.000 2.097 187 D HA -0.157 4.478 4.640 -0.009 0.000 0.195 187 D C 1.779 178.174 176.300 0.157 0.000 0.989 187 D CA 1.355 55.451 54.000 0.160 0.000 0.827 187 D CB -0.483 40.377 40.800 0.101 0.000 0.966 187 D HN 0.131 nan 8.370 nan 0.000 0.456 188 D N 0.310 120.771 120.400 0.102 0.000 2.106 188 D HA -0.143 4.491 4.640 -0.009 0.000 0.191 188 D C 1.959 178.310 176.300 0.086 0.000 0.997 188 D CA 1.649 55.689 54.000 0.066 0.000 0.834 188 D CB -0.430 40.391 40.800 0.034 0.000 0.956 188 D HN 0.167 nan 8.370 nan 0.000 0.448 189 A N -0.313 122.578 122.820 0.119 0.000 1.972 189 A HA -0.203 4.112 4.320 -0.009 0.000 0.219 189 A C 2.171 179.869 177.584 0.191 0.000 1.169 189 A CA 1.308 53.450 52.037 0.176 0.000 0.635 189 A CB -0.975 18.109 19.000 0.140 0.000 0.810 189 A HN 0.403 nan 8.150 nan 0.000 0.446 190 Y N 0.428 120.761 120.300 0.055 0.000 2.293 190 Y HA -0.149 4.398 4.550 -0.005 0.000 0.291 190 Y C 2.303 178.181 175.900 -0.036 0.000 1.137 190 Y CA 2.112 60.218 58.100 0.009 0.000 1.202 190 Y CB -0.272 38.182 38.460 -0.009 0.000 0.990 190 Y HN 0.426 nan 8.280 nan 0.000 0.537 191 Q N -0.476 119.282 119.800 -0.070 0.000 2.245 191 Q HA -0.034 4.301 4.340 -0.009 0.000 0.201 191 Q C 1.924 177.767 176.000 -0.261 0.000 0.955 191 Q CA 1.029 56.717 55.803 -0.191 0.000 0.870 191 Q CB 0.125 28.843 28.738 -0.034 0.000 0.945 191 Q HN 0.472 nan 8.270 nan 0.000 0.461 192 L N -0.491 120.554 121.223 -0.297 0.000 2.477 192 L HA 0.030 4.365 4.340 -0.009 0.000 0.220 192 L C 0.691 176.936 176.870 -1.042 0.000 1.106 192 L CA 0.794 55.243 54.840 -0.652 0.000 0.851 192 L CB 0.178 41.788 42.059 -0.747 0.000 0.994 192 L HN 0.420 nan 8.230 nan 0.000 0.462 193 H N -1.667 117.342 119.070 -0.102 0.000 3.427 193 H HA 0.118 4.675 4.556 0.001 0.000 0.262 193 H C -0.094 175.165 175.328 -0.117 0.000 1.148 193 H CA -0.145 55.855 56.048 -0.080 0.000 1.048 193 H CB 0.574 30.309 29.762 -0.045 0.000 2.325 193 H HN 0.001 nan 8.280 nan 0.000 0.768 194 Q N 0.017 119.693 119.800 -0.207 0.000 2.468 194 Q HA -0.183 4.152 4.340 -0.009 0.000 0.256 194 Q C -0.134 175.847 176.000 -0.031 0.000 0.984 194 Q CA 0.907 56.507 55.803 -0.337 0.000 1.110 194 Q CB -2.111 26.489 28.738 -0.230 0.000 1.527 194 Q HN 0.557 nan 8.270 nan 0.000 0.535 195 M N -0.132 119.516 119.600 0.080 0.000 2.111 195 M HA 0.517 4.992 4.480 -0.009 0.000 0.351 195 M C 0.832 177.257 176.300 0.208 0.000 1.214 195 M CA 0.594 55.962 55.300 0.114 0.000 1.120 195 M CB 0.990 33.642 32.600 0.086 0.000 1.443 195 M HN 0.404 nan 8.290 nan 0.000 0.429 196 G N 1.002 109.901 108.800 0.165 0.000 2.291 196 G HA2 0.377 4.332 3.960 -0.009 0.000 0.249 196 G HA3 0.377 4.332 3.960 -0.009 0.000 0.249 196 G C -0.096 174.737 174.900 -0.112 0.000 1.340 196 G CA -0.129 45.015 45.100 0.074 0.000 1.017 196 G HN 1.045 nan 8.290 nan 0.000 0.470 197 G N -0.425 108.138 108.800 -0.395 0.000 3.031 197 G HA2 0.420 4.375 3.960 -0.009 0.000 0.289 197 G HA3 0.420 4.375 3.960 -0.009 0.000 0.289 197 G C 0.812 175.525 174.900 -0.312 0.000 1.393 197 G CA 2.366 47.108 45.100 -0.597 0.000 1.010 197 G HN 2.975 nan 8.290 nan 0.000 0.579 198 A N -2.230 120.437 122.820 -0.255 0.000 2.544 198 A HA 0.689 5.003 4.320 -0.009 0.000 0.291 198 A C -1.206 176.274 177.584 -0.173 0.000 1.055 198 A CA -0.181 51.772 52.037 -0.141 0.000 0.651 198 A CB 0.212 19.210 19.000 -0.003 0.000 1.296 198 A HN 1.480 nan 8.150 nan 0.000 0.431 199 Y N -0.460 119.857 120.300 0.028 0.000 2.307 199 Y HA 0.506 5.052 4.550 -0.006 0.000 0.324 199 Y C -0.173 175.819 175.900 0.154 0.000 1.238 199 Y CA 0.612 58.744 58.100 0.053 0.000 1.280 199 Y CB 1.090 39.555 38.460 0.008 0.000 1.248 199 Y HN 0.648 nan 8.280 nan 0.000 0.508 200 Y N 1.643 122.066 120.300 0.204 0.000 2.331 200 Y HA 0.535 5.080 4.550 -0.008 0.000 0.338 200 Y C -0.947 175.030 175.900 0.128 0.000 0.992 200 Y CA -1.182 57.050 58.100 0.220 0.000 1.121 200 Y CB 0.889 39.503 38.460 0.255 0.000 1.184 200 Y HN 0.319 nan 8.280 nan 0.000 0.469 201 V N 8.418 128.121 119.914 -0.352 0.000 2.353 201 V HA 0.276 4.391 4.120 -0.009 0.000 0.264 201 V C -0.166 175.550 176.094 -0.630 0.000 1.049 201 V CA -0.465 61.565 62.300 -0.450 0.000 0.896 201 V CB 0.384 31.906 31.823 -0.502 0.000 1.025 201 V HN 0.642 nan 8.190 nan 0.000 0.475 202 V N 3.854 123.523 119.914 -0.408 0.000 2.713 202 V HA 0.618 4.733 4.120 -0.009 0.000 0.307 202 V C -1.009 174.832 176.094 -0.422 0.000 1.052 202 V CA -0.648 61.481 62.300 -0.285 0.000 0.967 202 V CB 1.687 33.512 31.823 0.003 0.000 1.019 202 V HN 0.617 nan 8.190 nan 0.000 0.459 203 Y N 3.906 124.174 120.300 -0.052 0.000 2.854 203 Y HA 0.560 5.105 4.550 -0.008 0.000 0.330 203 Y C 0.951 176.815 175.900 -0.059 0.000 1.037 203 Y CA -0.652 57.409 58.100 -0.066 0.000 1.263 203 Y CB 0.596 39.008 38.460 -0.080 0.000 1.120 203 Y HN 0.599 nan 8.280 nan 0.000 0.532 204 R N 1.429 121.963 120.500 0.058 0.000 2.679 204 R HA 0.664 4.999 4.340 -0.009 0.000 0.269 204 R C -0.075 176.201 176.300 -0.040 0.000 1.076 204 R CA -0.350 55.748 56.100 -0.003 0.000 1.160 204 R CB 0.697 30.995 30.300 -0.004 0.000 1.054 204 R HN 0.585 nan 8.270 nan 0.000 0.507 205 A N 1.282 124.026 122.820 -0.126 0.000 2.311 205 A HA 0.252 4.567 4.320 -0.009 0.000 0.334 205 A C -0.618 176.884 177.584 -0.137 0.000 1.139 205 A CA -0.584 51.379 52.037 -0.124 0.000 0.830 205 A CB 1.511 20.424 19.000 -0.145 0.000 1.234 205 A HN 0.597 nan 8.150 nan 0.000 0.483 206 Q N 1.234 120.963 119.800 -0.119 0.000 2.506 206 Q HA 0.206 4.541 4.340 -0.009 0.000 0.242 206 Q C 0.830 176.756 176.000 -0.123 0.000 1.060 206 Q CA 0.128 55.863 55.803 -0.115 0.000 0.826 206 Q CB 1.180 29.858 28.738 -0.100 0.000 1.169 206 Q HN 1.015 nan 8.270 nan 0.000 0.521 207 S N 1.061 116.706 115.700 -0.091 0.000 2.423 207 S HA -0.123 4.342 4.470 -0.009 0.000 0.238 207 S C 0.828 175.437 174.600 0.016 0.000 1.028 207 S CA 1.378 59.557 58.200 -0.036 0.000 1.000 207 S CB -0.320 62.886 63.200 0.009 0.000 0.797 207 S HN 0.600 nan 8.310 nan 0.000 0.487 208 T N -1.132 113.425 114.554 0.005 0.000 3.186 208 T HA 0.670 5.015 4.350 -0.009 0.000 0.320 208 T C -1.554 173.176 174.700 0.050 0.000 0.955 208 T CA -0.858 61.305 62.100 0.105 0.000 1.030 208 T CB 1.798 70.735 68.868 0.115 0.000 1.013 208 T HN 0.067 nan 8.240 nan 0.000 0.454 209 D N 1.618 122.082 120.400 0.107 0.000 2.523 209 D HA 0.673 5.308 4.640 -0.009 0.000 0.236 209 D C 0.012 176.366 176.300 0.090 0.000 1.094 209 D CA -0.493 53.535 54.000 0.048 0.000 0.942 209 D CB 2.060 42.838 40.800 -0.037 0.000 1.447 209 D HN 0.890 nan 8.370 nan 0.000 0.479 210 A N 1.485 124.318 122.820 0.020 0.000 2.591 210 A HA 0.296 4.610 4.320 -0.009 0.000 0.244 210 A C -0.111 177.453 177.584 -0.034 0.000 1.031 210 A CA 0.778 52.816 52.037 0.002 0.000 0.767 210 A CB -0.492 18.499 19.000 -0.015 0.000 0.942 210 A HN 0.466 nan 8.150 nan 0.000 0.514 211 I N 2.270 122.833 120.570 -0.011 0.000 2.619 211 I HA 0.474 4.639 4.170 -0.009 0.000 0.292 211 I C 0.156 176.348 176.117 0.125 0.000 1.100 211 I CA -0.390 60.871 61.300 -0.065 0.000 1.043 211 I CB 2.818 40.708 38.000 -0.184 0.000 1.239 211 I HN 0.817 nan 8.210 nan 0.000 0.420 212 T N 2.763 117.394 114.554 0.129 0.000 2.901 212 T HA 0.666 5.011 4.350 -0.009 0.000 0.293 212 T C -1.102 173.732 174.700 0.223 0.000 1.084 212 T CA -0.802 61.444 62.100 0.243 0.000 1.008 212 T CB 2.283 71.239 68.868 0.147 0.000 1.170 212 T HN 0.264 nan 8.240 nan 0.000 0.509 213 L N 1.886 123.222 121.223 0.189 0.000 2.287 213 L HA 0.542 4.877 4.340 -0.009 0.000 0.287 213 L C -0.768 176.086 176.870 -0.026 0.000 1.022 213 L CA -0.375 54.440 54.840 -0.041 0.000 0.814 213 L CB 1.024 43.036 42.059 -0.077 0.000 1.217 213 L HN 0.790 nan 8.230 nan 0.000 0.420 214 D N 7.197 127.548 120.400 -0.083 0.000 2.352 214 D HA 0.236 4.871 4.640 -0.009 0.000 0.245 214 D C -1.565 174.694 176.300 -0.067 0.000 1.224 214 D CA -1.903 52.068 54.000 -0.049 0.000 0.879 214 D CB 1.434 42.209 40.800 -0.042 0.000 1.057 214 D HN 0.382 nan 8.370 nan 0.000 0.491 215 P HA -0.198 nan 4.420 nan 0.000 0.218 215 P C 0.932 178.208 177.300 -0.039 0.000 1.146 215 P CA 0.894 63.975 63.100 -0.032 0.000 0.813 215 P CB 0.525 32.222 31.700 -0.006 0.000 0.778 216 K N -0.030 120.350 120.400 -0.033 0.000 1.984 216 K HA -0.066 4.249 4.320 -0.009 0.000 0.209 216 K C 2.322 178.897 176.600 -0.041 0.000 1.046 216 K CA 2.266 58.536 56.287 -0.029 0.000 0.934 216 K CB -1.840 30.649 32.500 -0.019 0.000 0.717 216 K HN 0.332 nan 8.250 nan 0.000 0.438 217 T N -2.940 111.583 114.554 -0.052 0.000 3.009 217 T HA 0.140 4.485 4.350 -0.009 0.000 0.258 217 T C 1.521 176.165 174.700 -0.092 0.000 1.063 217 T CA 1.354 63.418 62.100 -0.060 0.000 1.139 217 T CB 0.073 68.911 68.868 -0.049 0.000 0.890 217 T HN 0.381 nan 8.240 nan 0.000 0.471 218 G N 1.301 110.020 108.800 -0.134 0.000 2.176 218 G HA2 -0.192 3.763 3.960 -0.009 0.000 0.253 218 G HA3 -0.192 3.763 3.960 -0.009 0.000 0.253 218 G C 0.141 174.848 174.900 -0.322 0.000 0.979 218 G CA 0.237 45.215 45.100 -0.202 0.000 0.641 218 G HN 0.653 nan 8.290 nan 0.000 0.530 219 K N -0.370 119.876 120.400 -0.257 0.000 2.109 219 K HA 0.713 5.028 4.320 -0.009 0.000 0.243 219 K C -0.114 176.294 176.600 -0.320 0.000 1.006 219 K CA -0.635 55.499 56.287 -0.256 0.000 0.917 219 K CB 0.556 33.006 32.500 -0.084 0.000 1.081 219 K HN 0.040 nan 8.250 nan 0.000 0.468 220 F N -0.094 119.839 119.950 -0.028 0.000 2.399 220 F HA 0.322 4.844 4.527 -0.009 0.000 0.328 220 F C 0.209 176.091 175.800 0.137 0.000 1.084 220 F CA -0.756 57.248 58.000 0.007 0.000 1.053 220 F CB 1.268 40.289 39.000 0.035 0.000 1.209 220 F HN -0.058 nan 8.300 nan 0.000 0.502 221 V N 1.520 121.588 119.914 0.257 0.000 2.525 221 V HA 0.360 4.475 4.120 -0.009 0.000 0.299 221 V C -0.696 175.281 176.094 -0.196 0.000 1.034 221 V CA -1.074 61.265 62.300 0.065 0.000 0.863 221 V CB 1.606 33.453 31.823 0.040 0.000 0.999 221 V HN 0.785 nan 8.190 nan 0.000 0.423 222 S N 3.238 118.653 115.700 -0.474 0.000 2.537 222 S HA 0.499 4.964 4.470 -0.009 0.000 0.275 222 S C -0.255 174.206 174.600 -0.231 0.000 1.272 222 S CA -0.754 57.095 58.200 -0.585 0.000 1.050 222 S CB 1.029 63.650 63.200 -0.965 0.000 0.961 222 S HN 0.745 nan 8.310 nan 0.000 0.496 223 K N 2.102 122.409 120.400 -0.155 0.000 2.430 223 K HA 0.011 4.326 4.320 -0.009 0.000 0.280 223 K C -0.754 175.806 176.600 -0.067 0.000 1.063 223 K CA -0.051 56.189 56.287 -0.080 0.000 1.071 223 K CB -0.202 32.265 32.500 -0.054 0.000 0.899 223 K HN 0.568 nan 8.250 nan 0.000 0.473 224 D N 3.445 123.820 120.400 -0.042 0.000 2.472 224 D HA 0.031 4.666 4.640 -0.009 0.000 0.237 224 D C -0.212 176.067 176.300 -0.035 0.000 1.141 224 D CA 0.572 54.557 54.000 -0.025 0.000 0.875 224 D CB 0.565 41.363 40.800 -0.003 0.000 1.192 224 D HN 0.324 nan 8.370 nan 0.000 0.450 225 R N 2.395 122.869 120.500 -0.044 0.000 2.435 225 R HA 0.278 4.613 4.340 -0.009 0.000 0.308 225 R C -0.271 175.968 176.300 -0.102 0.000 0.975 225 R CA -0.793 55.268 56.100 -0.064 0.000 0.867 225 R CB 1.142 31.401 30.300 -0.068 0.000 1.171 225 R HN 0.383 nan 8.270 nan 0.000 0.470 226 M N 2.882 122.417 119.600 -0.109 0.000 2.238 226 M HA 0.209 4.684 4.480 -0.009 0.000 0.347 226 M C 0.602 176.749 176.300 -0.255 0.000 1.173 226 M CA -0.207 54.989 55.300 -0.173 0.000 1.147 226 M CB 0.702 33.225 32.600 -0.127 0.000 1.547 226 M HN 0.404 nan 8.290 nan 0.000 0.455 227 V N -0.329 119.327 119.914 -0.431 0.000 3.160 227 V HA 1.039 5.154 4.120 -0.009 0.000 0.310 227 V C -0.764 175.010 176.094 -0.534 0.000 1.181 227 V CA -1.219 60.810 62.300 -0.450 0.000 1.047 227 V CB 1.647 33.160 31.823 -0.517 0.000 1.068 227 V HN 0.951 nan 8.190 nan 0.000 0.441 228 A N 1.364 123.989 122.820 -0.324 0.000 2.337 228 A HA 0.868 5.183 4.320 -0.009 0.000 0.331 228 A C -0.516 177.108 177.584 0.067 0.000 1.137 228 A CA -0.219 51.677 52.037 -0.235 0.000 0.807 228 A CB 1.076 19.957 19.000 -0.198 0.000 1.250 228 A HN 1.251 nan 8.150 nan 0.000 0.468 229 D N -0.057 120.455 120.400 0.186 0.000 2.466 229 D HA 0.229 4.864 4.640 -0.009 0.000 0.262 229 D C 0.793 177.071 176.300 -0.036 0.000 1.177 229 D CA -0.596 53.528 54.000 0.208 0.000 1.035 229 D CB 0.077 41.036 40.800 0.266 0.000 1.105 229 D HN 0.357 nan 8.370 nan 0.000 0.551 230 F N 0.098 119.695 119.950 -0.589 0.000 2.069 230 F HA -0.179 4.343 4.527 -0.009 0.000 0.298 230 F C 2.106 177.706 175.800 -0.333 0.000 1.113 230 F CA 1.542 59.026 58.000 -0.860 0.000 1.214 230 F CB 0.085 38.422 39.000 -1.105 0.000 0.978 230 F HN 0.220 nan 8.300 nan 0.000 0.474 231 E N -0.543 119.473 120.200 -0.307 0.000 2.153 231 E HA -0.274 4.070 4.350 -0.009 0.000 0.194 231 E C 1.956 178.417 176.600 -0.232 0.000 0.988 231 E CA 1.365 57.570 56.400 -0.325 0.000 0.811 231 E CB -0.647 28.994 29.700 -0.098 0.000 0.746 231 E HN 0.675 nan 8.360 nan 0.000 0.466 232 Y N 0.595 120.779 120.300 -0.194 0.000 2.220 232 Y HA -0.147 4.397 4.550 -0.009 0.000 0.291 232 Y C 2.282 178.094 175.900 -0.147 0.000 1.129 232 Y CA 1.362 59.391 58.100 -0.117 0.000 1.161 232 Y CB 0.014 38.459 38.460 -0.025 0.000 0.997 232 Y HN 0.031 nan 8.280 nan 0.000 0.522 233 A N -0.300 122.570 122.820 0.084 0.000 1.898 233 A HA -0.175 4.140 4.320 -0.009 0.000 0.216 233 A C 2.147 179.670 177.584 -0.101 0.000 1.181 233 A CA 2.162 54.239 52.037 0.067 0.000 0.620 233 A CB -1.420 17.667 19.000 0.145 0.000 0.819 233 A HN 0.438 nan 8.150 nan 0.000 0.442 234 V N -1.903 117.808 119.914 -0.338 0.000 2.667 234 V HA -0.101 4.014 4.120 -0.009 0.000 0.252 234 V C 2.248 178.199 176.094 -0.238 0.000 1.065 234 V CA 2.106 64.205 62.300 -0.335 0.000 1.083 234 V CB -1.798 29.674 31.823 -0.585 0.000 0.692 234 V HN 0.662 nan 8.190 nan 0.000 0.468 235 T N -2.980 111.421 114.554 -0.256 0.000 3.100 235 T HA 0.397 4.741 4.350 -0.009 0.000 0.253 235 T C 1.722 176.301 174.700 -0.202 0.000 1.118 235 T CA 0.941 62.907 62.100 -0.224 0.000 1.058 235 T CB 0.250 68.963 68.868 -0.258 0.000 0.953 235 T HN 1.444 nan 8.240 nan 0.000 0.515 236 G N 0.412 109.106 108.800 -0.178 0.000 2.176 236 G HA2 0.055 4.010 3.960 -0.009 0.000 0.253 236 G HA3 0.055 4.010 3.960 -0.009 0.000 0.253 236 G C 1.010 175.788 174.900 -0.203 0.000 0.979 236 G CA 0.335 45.358 45.100 -0.128 0.000 0.641 236 G HN 1.772 nan 8.290 nan 0.000 0.530 237 G N -1.069 107.434 108.800 -0.495 0.000 2.367 237 G HA2 -0.154 3.801 3.960 -0.009 0.000 0.181 237 G HA3 -0.154 3.801 3.960 -0.009 0.000 0.181 237 G C 0.859 175.304 174.900 -0.758 0.000 1.000 237 G CA 0.996 45.499 45.100 -0.995 0.000 0.693 237 G HN 0.643 nan 8.290 nan 0.000 0.480 238 E N 0.524 120.470 120.200 -0.424 0.000 2.000 238 E HA -0.083 4.261 4.350 -0.009 0.000 0.199 238 E C 1.513 177.964 176.600 -0.249 0.000 1.011 238 E CA 1.179 57.422 56.400 -0.262 0.000 0.836 238 E CB -0.128 29.466 29.700 -0.177 0.000 0.778 238 E HN 0.537 nan 8.360 nan 0.000 0.462 239 Q N -0.549 119.111 119.800 -0.234 0.000 2.225 239 Q HA 0.393 4.728 4.340 -0.009 0.000 0.177 239 Q C 0.251 176.168 176.000 -0.139 0.000 1.073 239 Q CA 0.705 56.415 55.803 -0.156 0.000 1.134 239 Q CB 0.267 28.932 28.738 -0.121 0.000 1.210 239 Q HN 0.426 nan 8.270 nan 0.000 0.599 240 G N -0.269 108.514 108.800 -0.028 0.000 2.907 240 G HA2 -0.142 3.813 3.960 -0.009 0.000 0.242 240 G HA3 -0.142 3.813 3.960 -0.009 0.000 0.242 240 G C -0.721 174.332 174.900 0.255 0.000 1.448 240 G CA -0.094 45.059 45.100 0.090 0.000 0.911 240 G HN 0.945 nan 8.290 nan 0.000 0.553 241 S N -1.224 114.677 115.700 0.335 0.000 2.600 241 S HA 0.821 5.286 4.470 -0.009 0.000 0.300 241 S C -0.496 174.305 174.600 0.335 0.000 1.087 241 S CA -0.836 57.576 58.200 0.353 0.000 0.965 241 S CB 2.512 65.830 63.200 0.198 0.000 1.089 241 S HN 1.164 nan 8.310 nan 0.000 0.496 242 L N 1.576 122.922 121.223 0.205 0.000 2.334 242 L HA 0.928 5.263 4.340 -0.009 0.000 0.270 242 L C -1.298 175.746 176.870 0.290 0.000 1.018 242 L CA -0.466 54.357 54.840 -0.027 0.000 0.811 242 L CB 1.389 43.335 42.059 -0.187 0.000 1.271 242 L HN 0.904 nan 8.230 nan 0.000 0.443 243 F N 0.636 120.540 119.950 -0.076 0.000 2.843 243 F HA 0.662 5.184 4.527 -0.009 0.000 0.323 243 F C -0.844 174.940 175.800 -0.028 0.000 1.142 243 F CA -1.254 56.727 58.000 -0.033 0.000 0.925 243 F CB -0.061 38.932 39.000 -0.013 0.000 1.277 243 F HN 0.587 nan 8.300 nan 0.000 0.446 244 A N 1.377 124.279 122.820 0.137 0.000 2.445 244 A HA 0.729 5.044 4.320 -0.009 0.000 0.242 244 A C 0.226 177.861 177.584 0.085 0.000 1.075 244 A CA 0.127 52.190 52.037 0.043 0.000 0.777 244 A CB -0.154 18.888 19.000 0.070 0.000 1.013 244 A HN 1.867 nan 8.150 nan 0.000 0.493 245 A N 1.352 124.168 122.820 -0.008 0.000 2.279 245 A HA 0.573 4.888 4.320 -0.009 0.000 0.303 245 A C 0.663 178.295 177.584 0.081 0.000 1.108 245 A CA 0.006 52.059 52.037 0.027 0.000 0.830 245 A CB 0.483 19.453 19.000 -0.050 0.000 1.106 245 A HN 1.272 nan 8.150 nan 0.000 0.493 246 S N 0.464 116.227 115.700 0.105 0.000 3.036 246 S HA 0.135 4.600 4.470 -0.009 0.000 0.301 246 S C 0.896 175.571 174.600 0.124 0.000 1.205 246 S CA -0.339 57.928 58.200 0.112 0.000 0.999 246 S CB -0.577 62.686 63.200 0.104 0.000 1.337 246 S HN 0.621 nan 8.310 nan 0.000 0.515 247 K N 2.399 122.883 120.400 0.141 0.000 2.504 247 K HA -0.050 4.265 4.320 -0.009 0.000 0.195 247 K C 0.347 177.122 176.600 0.291 0.000 1.036 247 K CA 0.236 56.642 56.287 0.198 0.000 0.984 247 K CB -0.037 32.564 32.500 0.169 0.000 0.788 247 K HN 0.675 nan 8.250 nan 0.000 0.488 248 D N -0.052 120.487 120.400 0.232 0.000 2.531 248 D HA -0.074 4.561 4.640 -0.009 0.000 0.239 248 D C 0.395 176.771 176.300 0.127 0.000 1.144 248 D CA 0.063 54.177 54.000 0.189 0.000 0.869 248 D CB 0.935 41.807 40.800 0.119 0.000 1.160 248 D HN 0.142 nan 8.370 nan 0.000 0.484 249 A N 2.923 125.784 122.820 0.068 0.000 2.387 249 A HA 0.116 4.431 4.320 -0.009 0.000 0.234 249 A C 1.895 179.457 177.584 -0.037 0.000 1.253 249 A CA -0.120 51.930 52.037 0.022 0.000 0.894 249 A CB 0.091 19.108 19.000 0.028 0.000 0.963 249 A HN 0.511 nan 8.150 nan 0.000 0.508 250 S N 1.005 116.690 115.700 -0.025 0.000 2.387 250 S HA -0.166 4.299 4.470 -0.009 0.000 0.226 250 S C 1.995 176.578 174.600 -0.029 0.000 1.026 250 S CA 1.235 59.415 58.200 -0.033 0.000 0.972 250 S CB -0.358 62.829 63.200 -0.021 0.000 0.814 250 S HN 0.864 nan 8.310 nan 0.000 0.477 251 R N 1.633 122.126 120.500 -0.012 0.000 2.388 251 R HA -0.053 4.282 4.340 -0.009 0.000 0.233 251 R C 1.530 177.826 176.300 -0.007 0.000 1.156 251 R CA 1.022 57.119 56.100 -0.005 0.000 1.036 251 R CB -0.858 29.455 30.300 0.022 0.000 0.847 251 R HN 0.366 nan 8.270 nan 0.000 0.483 252 L N 0.347 121.543 121.223 -0.044 0.000 2.209 252 L HA 0.030 4.365 4.340 -0.009 0.000 0.207 252 L C 2.408 179.282 176.870 0.006 0.000 1.094 252 L CA 0.833 55.646 54.840 -0.046 0.000 0.790 252 L CB -0.299 41.577 42.059 -0.305 0.000 0.932 252 L HN 0.113 nan 8.230 nan 0.000 0.447 253 K N 0.864 121.246 120.400 -0.029 0.000 2.148 253 K HA -0.186 4.129 4.320 -0.009 0.000 0.204 253 K C 1.929 178.517 176.600 -0.019 0.000 1.050 253 K CA 1.415 57.689 56.287 -0.022 0.000 0.942 253 K CB 0.048 32.529 32.500 -0.032 0.000 0.724 253 K HN 0.259 nan 8.250 nan 0.000 0.446 254 E N -0.527 119.654 120.200 -0.032 0.000 2.140 254 E HA -0.076 4.269 4.350 -0.009 0.000 0.191 254 E C 1.842 178.386 176.600 -0.093 0.000 0.973 254 E CA 0.362 56.732 56.400 -0.049 0.000 0.829 254 E CB 0.154 29.826 29.700 -0.046 0.000 0.781 254 E HN 0.384 nan 8.360 nan 0.000 0.466 255 Q N -0.893 118.824 119.800 -0.138 0.000 2.096 255 Q HA -0.097 4.238 4.340 -0.009 0.000 0.197 255 Q C 0.601 176.265 176.000 -0.560 0.000 0.964 255 Q CA 1.194 56.768 55.803 -0.383 0.000 0.838 255 Q CB 0.299 28.738 28.738 -0.498 0.000 0.906 255 Q HN 0.385 nan 8.270 nan 0.000 0.444 256 Y N -1.787 118.510 120.300 -0.004 0.000 2.675 256 Y HA 0.323 4.868 4.550 -0.009 0.000 0.248 256 Y C 0.870 176.771 175.900 0.002 0.000 1.161 256 Y CA -0.103 58.010 58.100 0.022 0.000 1.203 256 Y CB 0.941 39.438 38.460 0.061 0.000 1.262 256 Y HN 0.072 nan 8.280 nan 0.000 0.544 257 G N 2.165 111.011 108.800 0.077 0.000 2.421 257 G HA2 -0.308 3.647 3.960 -0.009 0.000 0.300 257 G HA3 -0.308 3.647 3.960 -0.009 0.000 0.300 257 G C -0.071 174.859 174.900 0.050 0.000 0.974 257 G CA 0.349 45.474 45.100 0.042 0.000 1.062 257 G HN 0.444 nan 8.290 nan 0.000 0.514 258 I N -0.320 120.280 120.570 0.049 0.000 2.385 258 I HA 0.200 4.364 4.170 -0.009 0.000 0.294 258 I C 0.236 176.335 176.117 -0.030 0.000 0.988 258 I CA -0.831 60.477 61.300 0.013 0.000 1.265 258 I CB 1.290 39.284 38.000 -0.009 0.000 1.388 258 I HN -0.017 nan 8.210 nan 0.000 0.480 259 D N 5.503 125.880 120.400 -0.039 0.000 2.358 259 D HA 0.160 4.795 4.640 -0.009 0.000 0.258 259 D C -0.662 175.579 176.300 -0.098 0.000 1.223 259 D CA 0.174 54.138 54.000 -0.061 0.000 0.886 259 D CB 0.795 41.559 40.800 -0.060 0.000 1.120 259 D HN 0.082 nan 8.370 nan 0.000 0.482 260 V N 6.552 126.411 119.914 -0.092 0.000 2.294 260 V HA 0.302 4.417 4.120 -0.009 0.000 0.272 260 V C -1.688 174.358 176.094 -0.080 0.000 1.027 260 V CA -1.490 60.744 62.300 -0.110 0.000 0.823 260 V CB 0.701 32.473 31.823 -0.085 0.000 1.030 260 V HN 0.568 nan 8.190 nan 0.000 0.457 261 P HA 0.092 nan 4.420 nan 0.000 0.270 261 P C -0.352 177.035 177.300 0.145 0.000 1.227 261 P CA -0.268 62.843 63.100 0.019 0.000 0.788 261 P CB 0.445 32.143 31.700 -0.004 0.000 0.926 262 D N 0.133 120.608 120.400 0.126 0.000 2.390 262 D HA 0.345 4.980 4.640 -0.009 0.000 0.249 262 D C 1.075 177.462 176.300 0.145 0.000 1.144 262 D CA 1.356 55.410 54.000 0.091 0.000 0.880 262 D CB -0.198 40.639 40.800 0.062 0.000 1.182 262 D HN 0.620 nan 8.370 nan 0.000 0.451 263 G N 2.536 111.318 108.800 -0.029 0.000 2.140 263 G HA2 -0.197 3.757 3.960 -0.009 0.000 0.211 263 G HA3 -0.197 3.757 3.960 -0.009 0.000 0.211 263 G C -0.246 174.203 174.900 -0.751 0.000 1.013 263 G CA -0.435 44.542 45.100 -0.206 0.000 0.705 263 G HN 0.368 nan 8.290 nan 0.000 0.508 264 F N -0.508 119.064 119.950 -0.630 0.000 2.540 264 F HA 0.828 5.350 4.527 -0.009 0.000 0.317 264 F C 0.143 175.602 175.800 -0.568 0.000 1.104 264 F CA -1.035 56.705 58.000 -0.434 0.000 0.913 264 F CB 1.564 40.445 39.000 -0.199 0.000 1.170 264 F HN -0.003 nan 8.300 nan 0.000 0.450 265 F N 0.227 120.272 119.950 0.158 0.000 2.664 265 F HA 0.623 5.145 4.527 -0.009 0.000 0.329 265 F C -0.113 175.896 175.800 0.348 0.000 1.090 265 F CA -1.539 56.593 58.000 0.220 0.000 0.978 265 F CB 0.483 39.601 39.000 0.196 0.000 1.378 265 F HN 0.266 nan 8.300 nan 0.000 0.495 266 C N 0.690 120.266 119.300 0.461 0.000 2.595 266 C HA 0.277 4.732 4.460 -0.009 0.000 0.384 266 C C 0.542 175.648 174.990 0.192 0.000 1.289 266 C CA -0.716 58.498 59.018 0.327 0.000 2.372 266 C CB -0.067 27.824 27.740 0.252 0.000 2.593 266 C HN 0.678 nan 8.230 nan 0.000 0.639 267 E N 0.627 120.869 120.200 0.070 0.000 2.404 267 E HA 0.114 4.459 4.350 -0.009 0.000 0.261 267 E C 0.304 176.837 176.600 -0.111 0.000 1.074 267 E CA -0.070 56.247 56.400 -0.140 0.000 0.917 267 E CB 0.473 30.126 29.700 -0.079 0.000 0.965 267 E HN 0.476 nan 8.360 nan 0.000 0.433 268 R N 3.060 123.454 120.500 -0.175 0.000 2.347 268 R HA 0.097 4.432 4.340 -0.009 0.000 0.304 268 R C -0.552 175.698 176.300 -0.083 0.000 1.072 268 R CA -0.149 55.885 56.100 -0.110 0.000 0.980 268 R CB 0.504 30.734 30.300 -0.117 0.000 0.986 268 R HN 0.424 nan 8.270 nan 0.000 0.448 269 R N 4.703 125.166 120.500 -0.062 0.000 2.229 269 R HA 0.245 4.580 4.340 -0.009 0.000 0.332 269 R C -0.279 176.018 176.300 -0.004 0.000 0.989 269 R CA -0.667 55.410 56.100 -0.038 0.000 0.842 269 R CB 1.489 31.761 30.300 -0.047 0.000 1.119 269 R HN 0.514 nan 8.270 nan 0.000 0.456 270 R N 1.077 121.590 120.500 0.021 0.000 2.357 270 R HA 0.087 4.422 4.340 -0.009 0.000 0.296 270 R C 0.542 176.915 176.300 0.122 0.000 1.052 270 R CA -0.170 55.952 56.100 0.036 0.000 0.988 270 R CB 1.385 31.676 30.300 -0.015 0.000 1.025 270 R HN 0.497 nan 8.270 nan 0.000 0.469 271 T N 0.565 115.194 114.554 0.126 0.000 2.900 271 T HA 0.433 4.778 4.350 -0.009 0.000 0.307 271 T C -0.342 174.310 174.700 -0.081 0.000 1.065 271 T CA -0.218 61.911 62.100 0.049 0.000 1.105 271 T CB 0.781 69.677 68.868 0.046 0.000 0.979 271 T HN 0.680 nan 8.240 nan 0.000 0.544 272 A N 3.920 126.627 122.820 -0.189 0.000 2.577 272 A HA 0.665 4.979 4.320 -0.009 0.000 0.297 272 A C -0.901 176.598 177.584 -0.141 0.000 1.060 272 A CA -0.865 51.093 52.037 -0.132 0.000 0.697 272 A CB 1.440 20.395 19.000 -0.075 0.000 1.281 272 A HN 0.858 nan 8.150 nan 0.000 0.402 273 M N 1.127 120.676 119.600 -0.084 0.000 2.530 273 M HA 0.600 5.075 4.480 -0.009 0.000 0.307 273 M C 0.264 176.641 176.300 0.128 0.000 1.161 273 M CA -0.333 54.961 55.300 -0.010 0.000 0.903 273 M CB 2.706 35.233 32.600 -0.121 0.000 1.711 273 M HN 0.943 nan 8.290 nan 0.000 0.451 274 G N 0.827 109.778 108.800 0.251 0.000 2.502 274 G HA2 0.622 4.577 3.960 -0.009 0.000 0.311 274 G HA3 0.622 4.577 3.960 -0.009 0.000 0.311 274 G C -0.417 174.616 174.900 0.222 0.000 1.270 274 G CA -0.581 44.657 45.100 0.229 0.000 0.948 274 G HN 0.869 nan 8.290 nan 0.000 0.487 275 G N 2.289 111.196 108.800 0.178 0.000 2.395 275 G HA2 0.550 4.505 3.960 -0.009 0.000 0.283 275 G HA3 0.550 4.505 3.960 -0.009 0.000 0.283 275 G C -2.558 172.264 174.900 -0.129 0.000 1.178 275 G CA -1.247 43.801 45.100 -0.087 0.000 0.837 275 G HN 0.404 nan 8.290 nan 0.000 0.518 276 P HA -0.013 nan 4.420 nan 0.000 0.261 276 P C 0.239 177.513 177.300 -0.043 0.000 1.203 276 P CA -0.228 62.781 63.100 -0.152 0.000 0.767 276 P CB 0.446 32.048 31.700 -0.162 0.000 0.785 277 F N 5.208 125.076 119.950 -0.136 0.000 2.186 277 F HA -0.140 4.380 4.527 -0.011 0.000 0.299 277 F C 2.166 177.937 175.800 -0.048 0.000 1.090 277 F CA 1.644 59.597 58.000 -0.079 0.000 1.307 277 F CB -0.767 38.195 39.000 -0.065 0.000 1.019 277 F HN 0.351 nan 8.300 nan 0.000 0.489 278 A N 0.341 123.135 122.820 -0.043 0.000 1.940 278 A HA -0.278 4.037 4.320 -0.009 0.000 0.221 278 A C 2.132 179.614 177.584 -0.170 0.000 1.190 278 A CA 2.353 54.332 52.037 -0.097 0.000 0.647 278 A CB -1.290 17.701 19.000 -0.014 0.000 0.821 278 A HN 0.537 nan 8.150 nan 0.000 0.457 279 L N -1.480 119.657 121.223 -0.144 0.000 2.416 279 L HA 0.180 4.515 4.340 -0.009 0.000 0.216 279 L C 1.451 178.226 176.870 -0.158 0.000 1.098 279 L CA 1.368 56.132 54.840 -0.126 0.000 0.840 279 L CB -0.293 41.707 42.059 -0.100 0.000 0.981 279 L HN 0.201 nan 8.230 nan 0.000 0.462 280 N N 0.415 118.993 118.700 -0.204 0.000 2.354 280 N HA 0.014 4.749 4.740 -0.009 0.000 0.179 280 N C 1.832 177.217 175.510 -0.209 0.000 1.021 280 N CA 1.116 54.074 53.050 -0.154 0.000 0.887 280 N CB -0.065 38.386 38.487 -0.060 0.000 0.974 280 N HN 0.514 nan 8.380 nan 0.000 0.437 281 A N 1.811 124.365 122.820 -0.443 0.000 1.865 281 A HA -0.069 4.246 4.320 -0.009 0.000 0.217 281 A C -0.266 177.207 177.584 -0.184 0.000 1.191 281 A CA 1.393 53.172 52.037 -0.430 0.000 0.623 281 A CB -1.498 17.146 19.000 -0.593 0.000 0.826 281 A HN 0.197 nan 8.150 nan 0.000 0.444 282 P HA -0.083 nan 4.420 nan 0.000 0.218 282 P C 1.323 178.902 177.300 0.465 0.000 1.149 282 P CA 0.823 63.985 63.100 0.104 0.000 0.817 282 P CB -0.104 31.730 31.700 0.223 0.000 0.785 283 I N -1.791 118.935 120.570 0.260 0.000 2.353 283 I HA -0.170 3.995 4.170 -0.009 0.000 0.248 283 I C 2.112 178.476 176.117 0.411 0.000 1.119 283 I CA 1.499 63.033 61.300 0.389 0.000 1.417 283 I CB -0.527 37.569 38.000 0.161 0.000 1.078 283 I HN -0.068 nan 8.210 nan 0.000 0.421 284 M N 0.373 120.115 119.600 0.236 0.000 2.394 284 M HA -0.025 4.450 4.480 -0.009 0.000 0.264 284 M C 2.353 178.788 176.300 0.226 0.000 1.073 284 M CA 1.204 56.626 55.300 0.204 0.000 1.111 284 M CB -0.355 32.323 32.600 0.131 0.000 1.401 284 M HN 0.200 nan 8.290 nan 0.000 0.448 285 A N -0.197 122.784 122.820 0.267 0.000 2.067 285 A HA -0.030 4.285 4.320 -0.009 0.000 0.219 285 A C 2.138 179.920 177.584 0.331 0.000 1.158 285 A CA 1.344 53.561 52.037 0.300 0.000 0.661 285 A CB -0.489 18.735 19.000 0.373 0.000 0.801 285 A HN 0.323 nan 8.150 nan 0.000 0.452 286 V N -1.414 118.732 119.914 0.387 0.000 2.788 286 V HA 0.056 4.171 4.120 -0.009 0.000 0.241 286 V C 2.837 179.063 176.094 0.219 0.000 1.083 286 V CA 1.084 63.547 62.300 0.273 0.000 1.103 286 V CB -0.610 31.397 31.823 0.306 0.000 0.800 286 V HN 0.507 nan 8.190 nan 0.000 0.476 287 A N 0.065 123.056 122.820 0.285 0.000 1.902 287 A HA -0.281 4.034 4.320 -0.009 0.000 0.217 287 A C 2.129 179.766 177.584 0.088 0.000 1.181 287 A CA 2.327 54.481 52.037 0.195 0.000 0.623 287 A CB -0.454 18.690 19.000 0.240 0.000 0.818 287 A HN 0.512 nan 8.150 nan 0.000 0.443 288 Q N 0.154 120.022 119.800 0.112 0.000 2.046 288 Q HA -0.043 4.292 4.340 -0.009 0.000 0.200 288 Q C -0.781 175.245 176.000 0.044 0.000 0.975 288 Q CA 2.090 57.945 55.803 0.086 0.000 0.836 288 Q CB -1.262 27.539 28.738 0.105 0.000 0.896 288 Q HN 0.434 nan 8.270 nan 0.000 0.428 289 P HA -0.150 nan 4.420 nan 0.000 0.216 289 P C 1.286 178.550 177.300 -0.061 0.000 1.150 289 P CA 1.146 64.246 63.100 -0.000 0.000 0.843 289 P CB -0.044 31.662 31.700 0.009 0.000 0.787 290 V N -0.094 119.753 119.914 -0.111 0.000 2.295 290 V HA -0.267 3.848 4.120 -0.009 0.000 0.246 290 V C 2.492 178.429 176.094 -0.262 0.000 1.049 290 V CA 1.855 64.002 62.300 -0.255 0.000 1.024 290 V CB -0.909 30.657 31.823 -0.428 0.000 0.648 290 V HN 0.074 nan 8.190 nan 0.000 0.447 291 R N 0.134 120.510 120.500 -0.206 0.000 2.117 291 R HA -0.181 4.153 4.340 -0.009 0.000 0.243 291 R C 2.135 178.322 176.300 -0.189 0.000 1.143 291 R CA 1.710 57.634 56.100 -0.294 0.000 0.968 291 R CB -0.449 29.863 30.300 0.021 0.000 0.863 291 R HN 0.550 nan 8.270 nan 0.000 0.444 292 N N 0.768 119.453 118.700 -0.026 0.000 2.188 292 N HA -0.156 4.579 4.740 -0.009 0.000 0.184 292 N C 1.595 177.092 175.510 -0.021 0.000 1.018 292 N CA 1.093 54.166 53.050 0.038 0.000 0.858 292 N CB -0.085 38.415 38.487 0.022 0.000 0.989 292 N HN 0.262 nan 8.380 nan 0.000 0.426 293 K N 1.631 121.983 120.400 -0.081 0.000 2.025 293 K HA -0.015 4.300 4.320 -0.009 0.000 0.207 293 K C 2.000 178.552 176.600 -0.080 0.000 1.049 293 K CA 1.020 57.258 56.287 -0.083 0.000 0.933 293 K CB -0.141 32.315 32.500 -0.074 0.000 0.714 293 K HN 0.276 nan 8.250 nan 0.000 0.438 294 I N -2.001 118.496 120.570 -0.122 0.000 3.059 294 I HA -0.048 4.117 4.170 -0.009 0.000 0.270 294 I C 0.941 177.074 176.117 0.028 0.000 1.238 294 I CA 0.596 61.889 61.300 -0.012 0.000 1.478 294 I CB -0.217 37.665 38.000 -0.196 0.000 1.097 294 I HN 0.024 nan 8.210 nan 0.000 0.455 295 Y N 2.165 122.492 120.300 0.045 0.000 2.475 295 Y HA 0.026 4.571 4.550 -0.009 0.000 0.289 295 Y C 2.789 178.632 175.900 -0.095 0.000 1.121 295 Y CA 0.310 58.443 58.100 0.056 0.000 1.257 295 Y CB -0.538 37.994 38.460 0.119 0.000 1.026 295 Y HN 0.405 nan 8.280 nan 0.000 0.555 296 S N -0.287 115.426 115.700 0.023 0.000 2.400 296 S HA -0.040 4.425 4.470 -0.009 0.000 0.170 296 S C 1.961 176.491 174.600 -0.117 0.000 0.917 296 S CA 0.335 58.484 58.200 -0.084 0.000 1.028 296 S CB -0.643 62.504 63.200 -0.088 0.000 0.810 296 S HN 0.169 nan 8.310 nan 0.000 0.504 297 K N 0.498 120.775 120.400 -0.204 0.000 2.163 297 K HA -0.193 4.122 4.320 -0.009 0.000 0.210 297 K C 0.189 176.522 176.600 -0.445 0.000 1.048 297 K CA 1.721 57.772 56.287 -0.393 0.000 0.928 297 K CB -0.313 31.810 32.500 -0.628 0.000 0.716 297 K HN 0.603 nan 8.250 nan 0.000 0.459 298 Y N -0.791 119.529 120.300 0.035 0.000 2.781 298 Y HA 0.367 4.912 4.550 -0.009 0.000 0.326 298 Y C 0.958 176.846 175.900 -0.021 0.000 1.019 298 Y CA -0.326 57.779 58.100 0.008 0.000 1.372 298 Y CB 0.252 38.729 38.460 0.029 0.000 1.260 298 Y HN 0.074 nan 8.280 nan 0.000 0.546 299 A N -0.718 122.155 122.820 0.089 0.000 2.067 299 A HA -0.224 4.091 4.320 -0.009 0.000 0.219 299 A C 1.874 179.484 177.584 0.044 0.000 1.158 299 A CA 1.169 53.253 52.037 0.079 0.000 0.661 299 A CB -0.704 18.285 19.000 -0.018 0.000 0.801 299 A HN 0.644 nan 8.150 nan 0.000 0.452 300 Y N 1.728 121.987 120.300 -0.069 0.000 2.097 300 Y HA -0.266 4.279 4.550 -0.009 0.000 0.282 300 Y C 2.809 178.656 175.900 -0.088 0.000 1.152 300 Y CA 2.672 60.731 58.100 -0.069 0.000 1.136 300 Y CB -0.448 37.954 38.460 -0.096 0.000 0.975 300 Y HN 0.410 nan 8.280 nan 0.000 0.498 301 T N -3.188 111.353 114.554 -0.022 0.000 3.057 301 T HA 0.055 4.400 4.350 -0.009 0.000 0.254 301 T C 1.390 175.958 174.700 -0.221 0.000 1.094 301 T CA 0.701 62.666 62.100 -0.225 0.000 1.088 301 T CB -0.687 67.818 68.868 -0.605 0.000 0.934 301 T HN 0.365 nan 8.240 nan 0.000 0.497 302 F N -0.290 119.658 119.950 -0.003 0.000 2.667 302 F HA 0.343 4.865 4.527 -0.008 0.000 0.288 302 F C 1.268 176.955 175.800 -0.188 0.000 1.086 302 F CA -0.855 57.154 58.000 0.014 0.000 1.297 302 F CB 0.441 39.420 39.000 -0.035 0.000 1.059 302 F HN 0.224 nan 8.300 nan 0.000 0.624 303 H N 2.307 121.217 119.070 -0.267 0.000 2.690 303 H HA 0.245 4.796 4.556 -0.009 0.000 0.289 303 H C -1.075 173.889 175.328 -0.607 0.000 1.089 303 H CA 0.036 55.890 56.048 -0.323 0.000 1.299 303 H CB -0.086 29.635 29.762 -0.069 0.000 1.405 303 H HN 0.181 nan 8.280 nan 0.000 0.463 304 H N 3.865 122.754 119.070 -0.302 0.000 2.667 304 H HA 0.146 4.697 4.556 -0.009 0.000 0.353 304 H C 0.452 175.630 175.328 -0.251 0.000 1.072 304 H CA -0.481 55.448 56.048 -0.198 0.000 1.214 304 H CB 2.119 31.857 29.762 -0.040 0.000 1.600 304 H HN 0.686 nan 8.280 nan 0.000 0.527 305 T N -0.433 114.079 114.554 -0.069 0.000 3.422 305 T HA 0.085 4.430 4.350 -0.009 0.000 0.192 305 T C 1.049 175.769 174.700 0.034 0.000 0.857 305 T CA 0.530 62.614 62.100 -0.027 0.000 1.400 305 T CB -0.375 68.420 68.868 -0.121 0.000 1.864 305 T HN 0.566 nan 8.240 nan 0.000 0.415 306 T N 0.346 114.871 114.554 -0.049 0.000 2.770 306 T HA 0.362 4.706 4.350 -0.009 0.000 0.281 306 T C 1.224 175.861 174.700 -0.106 0.000 0.981 306 T CA -0.689 61.373 62.100 -0.064 0.000 0.955 306 T CB 0.859 69.677 68.868 -0.083 0.000 1.060 306 T HN 0.575 nan 8.240 nan 0.000 0.531 307 R N -0.070 120.371 120.500 -0.098 0.000 2.237 307 R HA 0.095 4.430 4.340 -0.009 0.000 0.219 307 R C 1.536 177.807 176.300 -0.049 0.000 1.080 307 R CA 0.612 56.647 56.100 -0.109 0.000 0.995 307 R CB -0.668 29.622 30.300 -0.016 0.000 0.875 307 R HN 0.376 nan 8.270 nan 0.000 0.462 308 L N 1.030 122.228 121.223 -0.042 0.000 2.513 308 L HA 0.074 4.408 4.340 -0.009 0.000 0.222 308 L C 2.118 178.966 176.870 -0.035 0.000 1.096 308 L CA 0.772 55.605 54.840 -0.011 0.000 0.857 308 L CB -0.520 41.529 42.059 -0.015 0.000 1.026 308 L HN 0.278 nan 8.230 nan 0.000 0.469 309 N N 0.589 119.250 118.700 -0.065 0.000 2.084 309 N HA -0.222 4.512 4.740 -0.009 0.000 0.190 309 N C 1.679 177.135 175.510 -0.090 0.000 1.030 309 N CA 1.430 54.444 53.050 -0.061 0.000 0.849 309 N CB 0.218 38.678 38.487 -0.046 0.000 1.012 309 N HN 0.308 nan 8.380 nan 0.000 0.423 310 K N 0.815 121.117 120.400 -0.163 0.000 2.026 310 K HA -0.178 4.137 4.320 -0.009 0.000 0.208 310 K C 2.089 178.658 176.600 -0.053 0.000 1.048 310 K CA 1.472 57.604 56.287 -0.259 0.000 0.929 310 K CB -0.244 31.781 32.500 -0.792 0.000 0.713 310 K HN 0.308 nan 8.250 nan 0.000 0.439 311 E N 1.459 121.738 120.200 0.131 0.000 2.065 311 E HA -0.280 4.065 4.350 -0.009 0.000 0.201 311 E C 1.806 178.415 176.600 0.016 0.000 1.016 311 E CA 1.757 58.301 56.400 0.239 0.000 0.818 311 E CB 0.056 29.876 29.700 0.200 0.000 0.749 311 E HN 0.275 nan 8.360 nan 0.000 0.453 312 E N 0.125 120.311 120.200 -0.023 0.000 2.114 312 E HA -0.255 4.090 4.350 -0.009 0.000 0.199 312 E C 2.150 178.690 176.600 -0.100 0.000 1.008 312 E CA 1.616 57.988 56.400 -0.046 0.000 0.810 312 E CB -0.051 29.628 29.700 -0.035 0.000 0.739 312 E HN 0.248 nan 8.360 nan 0.000 0.456 313 K N 0.101 120.383 120.400 -0.197 0.000 2.103 313 K HA -0.050 4.265 4.320 -0.009 0.000 0.204 313 K C 1.991 178.244 176.600 -0.579 0.000 1.052 313 K CA 0.918 57.004 56.287 -0.335 0.000 0.945 313 K CB 0.191 32.344 32.500 -0.580 0.000 0.722 313 K HN -0.012 nan 8.250 nan 0.000 0.443 314 V N 1.382 120.894 119.914 -0.670 0.000 3.406 314 V HA -0.053 4.062 4.120 -0.009 0.000 0.263 314 V C 1.747 177.597 176.094 -0.406 0.000 1.172 314 V CA 0.978 62.684 62.300 -0.990 0.000 1.140 314 V CB -0.175 31.217 31.823 -0.717 0.000 0.784 314 V HN 0.201 nan 8.190 nan 0.000 0.467 315 K N 0.220 120.495 120.400 -0.208 0.000 2.362 315 K HA -0.100 4.214 4.320 -0.009 0.000 0.200 315 K C 1.600 178.217 176.600 0.029 0.000 1.046 315 K CA 0.986 57.238 56.287 -0.057 0.000 0.952 315 K CB 0.078 32.560 32.500 -0.030 0.000 0.753 315 K HN 0.558 nan 8.250 nan 0.000 0.466 316 E N -0.885 119.336 120.200 0.036 0.000 2.474 316 E HA -0.022 4.323 4.350 -0.009 0.000 0.195 316 E C -0.471 176.351 176.600 0.371 0.000 1.039 316 E CA -0.251 56.257 56.400 0.179 0.000 0.881 316 E CB 0.321 30.135 29.700 0.190 0.000 0.970 316 E HN 0.131 nan 8.360 nan 0.000 0.486 317 W N 0.697 122.074 121.300 0.127 0.000 2.313 317 W HA 0.173 4.828 4.660 -0.009 0.000 0.328 317 W C 1.218 177.830 176.519 0.155 0.000 1.197 317 W CA -1.109 56.324 57.345 0.147 0.000 1.235 317 W CB 1.063 30.612 29.460 0.149 0.000 1.158 317 W HN -0.167 nan 8.180 nan 0.000 0.578 318 S N 0.949 116.880 115.700 0.386 0.000 2.486 318 S HA 0.099 4.564 4.470 -0.009 0.000 0.220 318 S C -0.027 174.745 174.600 0.286 0.000 1.011 318 S CA 0.130 58.501 58.200 0.286 0.000 0.921 318 S CB 0.124 63.465 63.200 0.235 0.000 0.785 318 S HN 0.254 nan 8.310 nan 0.000 0.517 319 L N 0.580 122.007 121.223 0.339 0.000 2.455 319 L HA 0.631 4.966 4.340 -0.009 0.000 0.264 319 L C -1.721 175.426 176.870 0.462 0.000 0.968 319 L CA -0.740 54.283 54.840 0.306 0.000 0.827 319 L CB 1.777 43.899 42.059 0.105 0.000 1.317 319 L HN 0.095 nan 8.230 nan 0.000 0.407 320 C N 5.585 125.173 119.300 0.481 0.000 2.407 320 C HA 0.791 5.246 4.460 -0.009 0.000 0.328 320 C C -0.887 174.324 174.990 0.369 0.000 1.137 320 C CA -0.464 58.893 59.018 0.565 0.000 1.390 320 C CB 0.296 28.442 27.740 0.676 0.000 1.989 320 C HN 0.598 nan 8.230 nan 0.000 0.432 321 V N 6.381 126.443 119.914 0.247 0.000 2.350 321 V HA 0.614 4.728 4.120 -0.009 0.000 0.276 321 V C 0.808 176.920 176.094 0.030 0.000 1.028 321 V CA -0.041 62.250 62.300 -0.016 0.000 0.860 321 V CB 1.207 33.000 31.823 -0.050 0.000 0.990 321 V HN 1.046 nan 8.190 nan 0.000 0.453 322 A N 4.381 127.229 122.820 0.048 0.000 2.269 322 A HA 0.678 4.993 4.320 -0.009 0.000 0.302 322 A C 0.585 178.213 177.584 0.073 0.000 1.266 322 A CA -0.121 51.963 52.037 0.079 0.000 0.894 322 A CB 0.374 19.459 19.000 0.142 0.000 1.147 322 A HN 0.896 nan 8.150 nan 0.000 0.537 323 T N -0.688 113.892 114.554 0.042 0.000 2.893 323 T HA 0.692 5.037 4.350 -0.009 0.000 0.279 323 T C -0.781 174.010 174.700 0.151 0.000 0.991 323 T CA -0.271 61.892 62.100 0.105 0.000 0.950 323 T CB 1.591 70.529 68.868 0.116 0.000 1.223 323 T HN 0.600 nan 8.240 nan 0.000 0.585 324 D N -0.163 120.363 120.400 0.210 0.000 2.301 324 D HA 0.302 4.936 4.640 -0.009 0.000 0.203 324 D C -1.236 175.180 176.300 0.193 0.000 1.300 324 D CA -0.503 53.606 54.000 0.181 0.000 0.899 324 D CB 0.858 41.720 40.800 0.104 0.000 1.597 324 D HN 0.560 nan 8.370 nan 0.000 0.538 325 V N 2.190 122.240 119.914 0.226 0.000 2.686 325 V HA 0.560 4.675 4.120 -0.009 0.000 0.295 325 V C 0.803 176.999 176.094 0.171 0.000 1.057 325 V CA -0.700 61.721 62.300 0.202 0.000 1.012 325 V CB 1.550 33.527 31.823 0.257 0.000 1.006 325 V HN 0.650 nan 8.190 nan 0.000 0.477 326 S N 2.792 118.572 115.700 0.134 0.000 2.465 326 S HA 0.250 4.715 4.470 -0.009 0.000 0.279 326 S C 0.373 175.143 174.600 0.282 0.000 1.201 326 S CA -0.224 58.072 58.200 0.160 0.000 1.053 326 S CB -0.081 63.191 63.200 0.120 0.000 0.953 326 S HN 0.945 nan 8.310 nan 0.000 0.488 327 D N 2.812 123.371 120.400 0.266 0.000 2.689 327 D HA -0.231 4.404 4.640 -0.009 0.000 0.237 327 D C 0.820 177.342 176.300 0.370 0.000 1.148 327 D CA 1.053 55.222 54.000 0.281 0.000 0.656 327 D CB -1.429 39.539 40.800 0.280 0.000 1.050 327 D HN 0.910 nan 8.370 nan 0.000 0.426 328 H N 0.270 119.474 119.070 0.222 0.000 2.321 328 H HA -0.173 4.378 4.556 -0.009 0.000 0.295 328 H C 1.233 176.702 175.328 0.235 0.000 1.102 328 H CA 2.230 58.419 56.048 0.235 0.000 1.266 328 H CB 0.313 30.180 29.762 0.175 0.000 1.363 328 H HN 0.314 nan 8.280 nan 0.000 0.492 329 D N -0.372 120.268 120.400 0.400 0.000 2.117 329 D HA -0.097 4.538 4.640 -0.009 0.000 0.198 329 D C 2.082 178.443 176.300 0.102 0.000 0.982 329 D CA 2.266 56.422 54.000 0.259 0.000 0.828 329 D CB -0.409 40.462 40.800 0.120 0.000 0.967 329 D HN 0.627 nan 8.370 nan 0.000 0.464 330 T N -2.579 111.993 114.554 0.031 0.000 3.129 330 T HA 0.083 4.428 4.350 -0.009 0.000 0.251 330 T C 1.669 176.265 174.700 -0.174 0.000 1.117 330 T CA 0.068 62.115 62.100 -0.088 0.000 1.034 330 T CB -0.370 68.401 68.868 -0.162 0.000 0.968 330 T HN 0.052 nan 8.240 nan 0.000 0.526 331 F N -0.478 119.492 119.950 0.034 0.000 2.582 331 F HA 0.372 4.894 4.527 -0.008 0.000 0.290 331 F C 0.905 176.682 175.800 -0.039 0.000 1.115 331 F CA -1.624 56.375 58.000 -0.001 0.000 1.445 331 F CB 0.101 39.091 39.000 -0.016 0.000 1.126 331 F HN 0.156 nan 8.300 nan 0.000 0.574 332 W N 5.384 126.620 121.300 -0.107 0.000 2.560 332 W HA -0.035 4.620 4.660 -0.008 0.000 0.335 332 W C -2.298 174.079 176.519 -0.235 0.000 1.147 332 W CA -1.312 55.885 57.345 -0.246 0.000 1.277 332 W CB 0.041 29.368 29.460 -0.221 0.000 1.152 332 W HN -0.173 nan 8.180 nan 0.000 0.561 333 P HA 0.116 nan 4.420 nan 0.000 0.287 333 P C 0.629 177.401 177.300 -0.880 0.000 1.281 333 P CA 0.187 62.746 63.100 -0.901 0.000 0.781 333 P CB 1.303 32.009 31.700 -1.658 0.000 0.903 334 G N 4.239 112.848 108.800 -0.318 0.000 2.469 334 G HA2 -0.259 3.695 3.960 -0.009 0.000 0.219 334 G HA3 -0.259 3.695 3.960 -0.009 0.000 0.219 334 G C 1.277 176.083 174.900 -0.157 0.000 1.150 334 G CA 0.379 45.422 45.100 -0.095 0.000 0.763 334 G HN 0.696 nan 8.290 nan 0.000 0.561 335 W N 0.425 121.635 121.300 -0.150 0.000 2.363 335 W HA -0.011 4.643 4.660 -0.009 0.000 0.296 335 W C 1.791 178.165 176.519 -0.241 0.000 1.212 335 W CA 0.689 57.941 57.345 -0.154 0.000 1.260 335 W CB -1.256 28.123 29.460 -0.135 0.000 1.131 335 W HN 0.181 nan 8.180 nan 0.000 0.530 336 L N 2.486 123.153 121.223 -0.926 0.000 2.127 336 L HA -0.189 4.146 4.340 -0.009 0.000 0.211 336 L C 2.959 179.651 176.870 -0.296 0.000 1.089 336 L CA 2.290 56.626 54.840 -0.841 0.000 0.757 336 L CB -1.062 40.104 42.059 -1.488 0.000 0.899 336 L HN 0.060 nan 8.230 nan 0.000 0.434 337 R N -0.602 119.800 120.500 -0.164 0.000 2.066 337 R HA -0.151 4.184 4.340 -0.009 0.000 0.232 337 R C 1.789 178.171 176.300 0.136 0.000 1.131 337 R CA 1.816 58.035 56.100 0.197 0.000 0.955 337 R CB -0.547 29.953 30.300 0.335 0.000 0.851 337 R HN 0.415 nan 8.270 nan 0.000 0.432 338 D N 1.119 121.580 120.400 0.101 0.000 2.178 338 D HA -0.187 4.448 4.640 -0.009 0.000 0.201 338 D C 1.964 178.317 176.300 0.088 0.000 0.980 338 D CA 1.042 55.104 54.000 0.105 0.000 0.842 338 D CB -0.086 40.781 40.800 0.112 0.000 0.948 338 D HN 0.313 nan 8.370 nan 0.000 0.472 339 L N 0.587 121.863 121.223 0.088 0.000 2.007 339 L HA -0.081 4.253 4.340 -0.009 0.000 0.205 339 L C 2.436 179.329 176.870 0.038 0.000 1.073 339 L CA 0.843 55.729 54.840 0.077 0.000 0.744 339 L CB -0.186 41.940 42.059 0.112 0.000 0.898 339 L HN -0.116 nan 8.230 nan 0.000 0.435 340 I N -0.492 120.094 120.570 0.027 0.000 2.236 340 I HA -0.430 3.735 4.170 -0.009 0.000 0.249 340 I C 2.560 178.603 176.117 -0.123 0.000 1.102 340 I CA 1.430 62.710 61.300 -0.033 0.000 1.365 340 I CB -0.433 37.578 38.000 0.019 0.000 1.051 340 I HN 0.505 nan 8.210 nan 0.000 0.420 341 C N 0.224 119.506 119.300 -0.030 0.000 2.466 341 C HA -0.152 4.303 4.460 -0.009 0.000 0.278 341 C C 2.571 177.541 174.990 -0.032 0.000 1.288 341 C CA 1.202 60.201 59.018 -0.032 0.000 1.722 341 C CB -0.825 26.960 27.740 0.076 0.000 2.017 341 C HN 0.555 nan 8.230 nan 0.000 0.488 342 D N 0.574 120.976 120.400 0.004 0.000 2.117 342 D HA -0.169 4.466 4.640 -0.009 0.000 0.197 342 D C 2.071 178.365 176.300 -0.011 0.000 0.987 342 D CA 1.484 55.490 54.000 0.011 0.000 0.829 342 D CB -0.175 40.643 40.800 0.031 0.000 0.961 342 D HN 0.390 nan 8.370 nan 0.000 0.460 343 E N -0.360 119.824 120.200 -0.026 0.000 2.150 343 E HA -0.079 4.266 4.350 -0.009 0.000 0.193 343 E C 2.107 178.658 176.600 -0.083 0.000 0.985 343 E CA 0.711 57.092 56.400 -0.031 0.000 0.814 343 E CB -0.299 29.394 29.700 -0.011 0.000 0.752 343 E HN 0.388 nan 8.360 nan 0.000 0.466 344 L N -0.249 120.857 121.223 -0.194 0.000 2.017 344 L HA -0.165 4.170 4.340 -0.009 0.000 0.208 344 L C 2.472 179.292 176.870 -0.083 0.000 1.073 344 L CA 1.027 55.678 54.840 -0.315 0.000 0.745 344 L CB -0.447 41.235 42.059 -0.629 0.000 0.894 344 L HN 0.199 nan 8.230 nan 0.000 0.432 345 L N -0.099 121.098 121.223 -0.043 0.000 2.051 345 L HA -0.302 4.033 4.340 -0.009 0.000 0.214 345 L C 2.395 179.285 176.870 0.033 0.000 1.076 345 L CA 1.283 56.135 54.840 0.020 0.000 0.758 345 L CB -0.651 41.420 42.059 0.021 0.000 0.890 345 L HN 0.434 nan 8.230 nan 0.000 0.433 346 N N -0.179 118.534 118.700 0.022 0.000 2.106 346 N HA -0.146 4.589 4.740 -0.009 0.000 0.188 346 N C 1.809 177.345 175.510 0.044 0.000 1.029 346 N CA 1.360 54.428 53.050 0.030 0.000 0.848 346 N CB -0.341 38.160 38.487 0.025 0.000 1.007 346 N HN 0.333 nan 8.380 nan 0.000 0.423 347 M N -0.221 119.416 119.600 0.062 0.000 2.426 347 M HA -0.041 4.434 4.480 -0.009 0.000 0.261 347 M C 0.675 177.030 176.300 0.091 0.000 1.068 347 M CA 1.264 56.622 55.300 0.097 0.000 1.066 347 M CB -0.284 32.413 32.600 0.162 0.000 1.399 347 M HN 0.337 nan 8.290 nan 0.000 0.449 348 G N -0.065 108.788 108.800 0.087 0.000 2.215 348 G HA2 -0.234 3.721 3.960 -0.009 0.000 0.198 348 G HA3 -0.234 3.721 3.960 -0.009 0.000 0.198 348 G C -0.502 174.378 174.900 -0.032 0.000 1.047 348 G CA -0.771 44.342 45.100 0.022 0.000 0.747 348 G HN 0.447 nan 8.290 nan 0.000 0.495 349 Y N 0.686 120.901 120.300 -0.141 0.000 2.319 349 Y HA 0.477 5.021 4.550 -0.009 0.000 0.328 349 Y C 1.283 177.051 175.900 -0.220 0.000 1.133 349 Y CA 0.163 58.129 58.100 -0.224 0.000 1.265 349 Y CB 1.171 39.479 38.460 -0.253 0.000 1.218 349 Y HN 0.595 nan 8.280 nan 0.000 0.508 350 A N 6.485 129.149 122.820 -0.260 0.000 2.580 350 A HA 0.010 4.325 4.320 -0.009 0.000 0.244 350 A C -1.707 175.675 177.584 -0.337 0.000 1.045 350 A CA -0.980 50.825 52.037 -0.386 0.000 0.761 350 A CB -0.196 18.290 19.000 -0.857 0.000 0.962 350 A HN 0.651 nan 8.150 nan 0.000 0.512 351 P HA -0.198 nan 4.420 nan 0.000 0.215 351 P C 1.684 179.003 177.300 0.031 0.000 1.157 351 P CA 2.019 65.120 63.100 0.003 0.000 0.874 351 P CB -0.223 31.531 31.700 0.091 0.000 0.790 352 W N -1.430 119.954 121.300 0.140 0.000 2.338 352 W HA -0.168 4.489 4.660 -0.005 0.000 0.304 352 W C 2.039 178.668 176.519 0.183 0.000 1.212 352 W CA 0.497 57.917 57.345 0.124 0.000 1.264 352 W CB -2.007 27.510 29.460 0.096 0.000 1.142 352 W HN 0.063 nan 8.180 nan 0.000 0.512 353 W N 2.109 123.057 121.300 -0.588 0.000 2.379 353 W HA -0.149 4.506 4.660 -0.009 0.000 0.307 353 W C 2.544 179.033 176.519 -0.050 0.000 1.200 353 W CA 2.894 60.040 57.345 -0.331 0.000 1.297 353 W CB -0.731 28.304 29.460 -0.709 0.000 1.140 353 W HN -0.286 nan 8.180 nan 0.000 0.507 354 V N 1.396 121.465 119.914 0.258 0.000 2.380 354 V HA -0.344 3.770 4.120 -0.009 0.000 0.251 354 V C 2.341 178.469 176.094 0.057 0.000 1.063 354 V CA 2.369 64.776 62.300 0.178 0.000 1.055 354 V CB -0.980 30.927 31.823 0.140 0.000 0.657 354 V HN 0.107 nan 8.190 nan 0.000 0.455 355 K N 0.099 120.540 120.400 0.069 0.000 2.097 355 K HA -0.093 4.222 4.320 -0.009 0.000 0.206 355 K C 1.857 178.482 176.600 0.042 0.000 1.049 355 K CA 1.506 57.843 56.287 0.085 0.000 0.933 355 K CB -0.448 32.123 32.500 0.117 0.000 0.717 355 K HN 0.435 nan 8.250 nan 0.000 0.442 356 L N -0.623 120.578 121.223 -0.037 0.000 2.056 356 L HA -0.113 4.222 4.340 -0.009 0.000 0.207 356 L C 2.179 178.911 176.870 -0.229 0.000 1.078 356 L CA 1.162 55.935 54.840 -0.110 0.000 0.749 356 L CB -0.488 41.476 42.059 -0.157 0.000 0.901 356 L HN 0.137 nan 8.230 nan 0.000 0.433 357 F N 1.065 120.689 119.950 -0.544 0.000 2.069 357 F HA -0.280 4.242 4.527 -0.009 0.000 0.298 357 F C 2.710 178.391 175.800 -0.197 0.000 1.113 357 F CA 2.056 59.758 58.000 -0.498 0.000 1.214 357 F CB -0.211 38.364 39.000 -0.709 0.000 0.978 357 F HN 0.096 nan 8.300 nan 0.000 0.474 358 E N -0.553 119.681 120.200 0.056 0.000 2.114 358 E HA -0.252 4.092 4.350 -0.009 0.000 0.199 358 E C 1.963 178.544 176.600 -0.031 0.000 1.008 358 E CA 2.169 58.602 56.400 0.056 0.000 0.810 358 E CB -0.272 29.492 29.700 0.108 0.000 0.739 358 E HN 0.446 nan 8.360 nan 0.000 0.456 359 T N 0.344 114.884 114.554 -0.023 0.000 2.777 359 T HA -0.138 4.207 4.350 -0.009 0.000 0.266 359 T C 1.982 176.636 174.700 -0.077 0.000 1.040 359 T CA 1.432 63.524 62.100 -0.013 0.000 1.141 359 T CB -0.370 68.549 68.868 0.084 0.000 0.868 359 T HN 0.307 nan 8.240 nan 0.000 0.444 360 S N 1.169 116.775 115.700 -0.157 0.000 2.571 360 S HA 0.039 4.504 4.470 -0.009 0.000 0.245 360 S C 1.615 176.169 174.600 -0.076 0.000 0.976 360 S CA 0.689 58.801 58.200 -0.147 0.000 0.954 360 S CB -0.650 62.391 63.200 -0.266 0.000 0.756 360 S HN 0.472 nan 8.310 nan 0.000 0.535 361 L N -0.480 120.670 121.223 -0.122 0.000 2.701 361 L HA 0.309 4.644 4.340 -0.009 0.000 0.238 361 L C 1.135 177.995 176.870 -0.017 0.000 1.106 361 L CA 0.130 54.910 54.840 -0.099 0.000 0.898 361 L CB 0.164 42.141 42.059 -0.136 0.000 1.188 361 L HN 0.220 nan 8.230 nan 0.000 0.508 362 K N 0.536 120.933 120.400 -0.006 0.000 2.699 362 K HA 0.324 4.639 4.320 -0.009 0.000 0.210 362 K C -0.361 176.239 176.600 -0.001 0.000 1.076 362 K CA -0.274 56.012 56.287 -0.002 0.000 1.109 362 K CB 0.923 33.411 32.500 -0.020 0.000 0.862 362 K HN 0.045 nan 8.250 nan 0.000 0.470 363 L N 2.114 123.377 121.223 0.066 0.000 2.399 363 L HA 0.300 4.635 4.340 -0.009 0.000 0.266 363 L C -2.389 174.546 176.870 0.108 0.000 1.114 363 L CA -1.890 52.989 54.840 0.065 0.000 0.804 363 L CB 0.757 42.867 42.059 0.085 0.000 1.146 363 L HN -0.028 nan 8.230 nan 0.000 0.451 364 P HA 0.220 nan 4.420 nan 0.000 0.273 364 P C -1.641 175.758 177.300 0.164 0.000 1.250 364 P CA -0.281 62.879 63.100 0.099 0.000 0.793 364 P CB 0.783 32.529 31.700 0.077 0.000 1.011 365 V N -1.346 118.675 119.914 0.177 0.000 2.638 365 V HA 0.481 4.596 4.120 -0.009 0.000 0.306 365 V C -1.345 174.874 176.094 0.207 0.000 1.052 365 V CA -1.053 61.366 62.300 0.198 0.000 0.885 365 V CB 1.437 33.339 31.823 0.131 0.000 0.999 365 V HN 0.395 nan 8.190 nan 0.000 0.424 366 Y N 4.031 124.394 120.300 0.105 0.000 2.365 366 Y HA 0.643 5.189 4.550 -0.007 0.000 0.340 366 Y C 0.023 175.887 175.900 -0.059 0.000 1.016 366 Y CA -0.267 57.895 58.100 0.104 0.000 1.196 366 Y CB 1.487 40.075 38.460 0.214 0.000 1.167 366 Y HN 0.676 nan 8.280 nan 0.000 0.509 367 V N 8.376 127.983 119.914 -0.512 0.000 2.385 367 V HA 0.234 4.349 4.120 -0.009 0.000 0.269 367 V C 0.936 176.662 176.094 -0.613 0.000 1.043 367 V CA 0.456 62.440 62.300 -0.528 0.000 0.906 367 V CB 0.532 31.959 31.823 -0.659 0.000 0.995 367 V HN 1.102 nan 8.190 nan 0.000 0.467 368 G N 4.248 112.783 108.800 -0.442 0.000 2.713 368 G HA2 0.317 4.271 3.960 -0.009 0.000 0.170 368 G HA3 0.317 4.271 3.960 -0.009 0.000 0.170 368 G C 0.271 175.031 174.900 -0.233 0.000 1.724 368 G CA 0.517 45.428 45.100 -0.314 0.000 0.892 368 G HN 1.060 nan 8.290 nan 0.000 0.376 369 A N -0.148 122.660 122.820 -0.020 0.000 2.410 369 A HA 0.681 4.996 4.320 -0.009 0.000 0.289 369 A C -1.922 175.779 177.584 0.196 0.000 1.200 369 A CA -1.012 51.102 52.037 0.128 0.000 0.751 369 A CB 1.963 21.107 19.000 0.240 0.000 1.161 369 A HN 0.219 nan 8.150 nan 0.000 0.459 370 P HA 0.244 nan 4.420 nan 0.000 0.224 370 P C 0.429 177.700 177.300 -0.049 0.000 1.157 370 P CA 1.432 64.355 63.100 -0.296 0.000 0.799 370 P CB 0.490 31.942 31.700 -0.415 0.000 0.809 371 A N -1.983 120.898 122.820 0.101 0.000 2.564 371 A HA 0.627 4.942 4.320 -0.009 0.000 0.291 371 A C -3.101 174.355 177.584 -0.212 0.000 1.102 371 A CA -1.548 50.411 52.037 -0.130 0.000 0.660 371 A CB 0.200 19.126 19.000 -0.122 0.000 1.283 371 A HN -0.289 nan 8.150 nan 0.000 0.430 372 P HA 0.447 nan 4.420 nan 0.000 0.271 372 P C -0.526 176.729 177.300 -0.076 0.000 1.216 372 P CA 0.844 63.775 63.100 -0.283 0.000 0.776 372 P CB 0.503 31.982 31.700 -0.370 0.000 0.881 373 E N -0.296 119.911 120.200 0.011 0.000 2.416 373 E HA -0.226 4.118 4.350 -0.009 0.000 0.249 373 E C -0.682 175.950 176.600 0.054 0.000 1.124 373 E CA 1.152 57.557 56.400 0.009 0.000 0.732 373 E CB -1.668 28.024 29.700 -0.013 0.000 1.286 373 E HN 0.490 nan 8.360 nan 0.000 0.394 374 Q N -1.631 118.244 119.800 0.124 0.000 2.527 374 Q HA 0.580 4.914 4.340 -0.009 0.000 0.280 374 Q C 0.218 176.418 176.000 0.334 0.000 0.977 374 Q CA -0.461 55.481 55.803 0.232 0.000 0.837 374 Q CB 2.106 31.000 28.738 0.259 0.000 1.454 374 Q HN 0.355 nan 8.270 nan 0.000 0.387 375 G N 0.322 109.371 108.800 0.415 0.000 2.443 375 G HA2 -0.203 3.752 3.960 -0.009 0.000 0.209 375 G HA3 -0.203 3.752 3.960 -0.009 0.000 0.209 375 G C -0.989 174.108 174.900 0.328 0.000 1.176 375 G CA 0.098 45.337 45.100 0.231 0.000 1.074 375 G HN 0.941 nan 8.290 nan 0.000 0.577 376 H N -0.250 118.768 119.070 -0.087 0.000 2.692 376 H HA -0.058 4.492 4.556 -0.009 0.000 0.316 376 H C 0.222 175.505 175.328 -0.074 0.000 1.176 376 H CA 1.588 57.624 56.048 -0.020 0.000 1.142 376 H CB -1.909 27.918 29.762 0.107 0.000 1.475 376 H HN 0.889 nan 8.280 nan 0.000 0.423 377 T N 0.480 114.881 114.554 -0.255 0.000 2.971 377 T HA 0.461 4.806 4.350 -0.009 0.000 0.304 377 T C -0.263 174.377 174.700 -0.099 0.000 1.038 377 T CA -0.864 61.231 62.100 -0.007 0.000 1.007 377 T CB 2.052 71.055 68.868 0.225 0.000 1.055 377 T HN 0.247 nan 8.240 nan 0.000 0.451 378 L N 4.088 125.425 121.223 0.190 0.000 2.292 378 L HA 0.647 4.982 4.340 -0.009 0.000 0.284 378 L C -1.230 175.843 176.870 0.340 0.000 1.065 378 L CA -0.361 54.672 54.840 0.320 0.000 0.806 378 L CB 0.384 42.725 42.059 0.470 0.000 1.175 378 L HN 0.591 nan 8.230 nan 0.000 0.431 379 L N 6.011 127.403 121.223 0.280 0.000 2.287 379 L HA 0.764 5.099 4.340 -0.009 0.000 0.287 379 L C 0.438 177.432 176.870 0.207 0.000 1.022 379 L CA -0.479 54.503 54.840 0.237 0.000 0.814 379 L CB 1.061 43.254 42.059 0.223 0.000 1.217 379 L HN 0.932 nan 8.230 nan 0.000 0.420 380 G N 2.149 111.065 108.800 0.193 0.000 2.777 380 G HA2 -0.188 3.767 3.960 -0.009 0.000 0.686 380 G HA3 -0.188 3.767 3.960 -0.009 0.000 0.686 380 G C -0.931 174.152 174.900 0.304 0.000 1.177 380 G CA -0.872 44.335 45.100 0.178 0.000 0.775 380 G HN 0.692 nan 8.290 nan 0.000 0.613 381 D N 2.275 122.838 120.400 0.272 0.000 2.343 381 D HA 0.475 5.110 4.640 -0.009 0.000 0.255 381 D C -0.909 175.394 176.300 0.005 0.000 1.187 381 D CA -2.125 52.001 54.000 0.210 0.000 0.875 381 D CB 1.361 42.293 40.800 0.220 0.000 1.136 381 D HN 0.064 nan 8.370 nan 0.000 0.469 382 P HA 0.071 nan 4.420 nan 0.000 0.245 382 P C 0.701 177.911 177.300 -0.151 0.000 1.212 382 P CA 0.306 63.309 63.100 -0.161 0.000 0.774 382 P CB 0.443 31.998 31.700 -0.241 0.000 0.999 383 S N -1.075 114.569 115.700 -0.093 0.000 2.496 383 S HA 0.037 4.502 4.470 -0.009 0.000 0.224 383 S C 0.894 175.490 174.600 -0.006 0.000 0.996 383 S CA 0.549 58.745 58.200 -0.007 0.000 0.927 383 S CB -0.359 62.848 63.200 0.011 0.000 0.774 383 S HN 0.123 nan 8.310 nan 0.000 0.524 384 N N 1.024 119.635 118.700 -0.150 0.000 2.824 384 N HA 0.247 4.982 4.740 -0.009 0.000 0.224 384 N C -3.419 171.911 175.510 -0.301 0.000 1.418 384 N CA -1.312 51.596 53.050 -0.236 0.000 0.743 384 N CB 0.972 39.440 38.487 -0.032 0.000 1.395 384 N HN -0.099 nan 8.380 nan 0.000 0.548 385 P HA 0.151 nan 4.420 nan 0.000 0.259 385 P C 0.091 177.278 177.300 -0.189 0.000 1.211 385 P CA 0.297 63.201 63.100 -0.326 0.000 0.810 385 P CB 0.437 31.883 31.700 -0.424 0.000 0.815 386 D N 2.125 122.472 120.400 -0.089 0.000 2.500 386 D HA 0.034 4.668 4.640 -0.009 0.000 0.218 386 D C 0.440 176.734 176.300 -0.009 0.000 1.140 386 D CA -0.047 53.930 54.000 -0.039 0.000 0.830 386 D CB -0.095 40.694 40.800 -0.019 0.000 1.055 386 D HN 0.100 nan 8.370 nan 0.000 0.512 387 L N 1.890 123.110 121.223 -0.004 0.000 2.514 387 L HA 0.086 4.421 4.340 -0.009 0.000 0.280 387 L C 0.689 177.569 176.870 0.018 0.000 1.223 387 L CA 0.746 55.594 54.840 0.013 0.000 0.864 387 L CB 0.393 42.467 42.059 0.026 0.000 1.118 387 L HN -0.039 nan 8.230 nan 0.000 0.494 388 E N 3.171 123.384 120.200 0.021 0.000 2.969 388 E HA 0.143 4.488 4.350 -0.009 0.000 0.213 388 E C 0.587 177.201 176.600 0.023 0.000 1.107 388 E CA -0.028 56.391 56.400 0.031 0.000 1.007 388 E CB 0.794 30.516 29.700 0.036 0.000 1.326 388 E HN 0.509 nan 8.360 nan 0.000 0.432 389 V N -1.060 118.860 119.914 0.009 0.000 3.623 389 V HA 0.367 4.481 4.120 -0.009 0.000 0.271 389 V C 1.027 177.108 176.094 -0.022 0.000 1.248 389 V CA 0.488 62.778 62.300 -0.017 0.000 1.156 389 V CB -0.606 31.188 31.823 -0.048 0.000 0.870 389 V HN 0.532 nan 8.190 nan 0.000 0.453 390 G N 0.243 109.060 108.800 0.028 0.000 2.482 390 G HA2 -0.165 3.790 3.960 -0.009 0.000 0.214 390 G HA3 -0.165 3.790 3.960 -0.009 0.000 0.214 390 G C -0.715 174.199 174.900 0.023 0.000 1.271 390 G CA -0.200 44.953 45.100 0.089 0.000 0.944 390 G HN 0.458 nan 8.290 nan 0.000 0.568 391 L N 1.578 122.745 121.223 -0.093 0.000 2.278 391 L HA 0.574 4.909 4.340 -0.009 0.000 0.287 391 L C 0.985 177.656 176.870 -0.331 0.000 1.072 391 L CA 0.015 54.577 54.840 -0.465 0.000 0.819 391 L CB 0.992 42.646 42.059 -0.675 0.000 1.176 391 L HN 0.818 nan 8.230 nan 0.000 0.435 392 S N 2.154 117.613 115.700 -0.402 0.000 2.474 392 S HA 0.040 4.505 4.470 -0.009 0.000 0.276 392 S C 1.389 175.735 174.600 -0.424 0.000 1.227 392 S CA -0.097 57.812 58.200 -0.485 0.000 1.050 392 S CB 1.091 63.806 63.200 -0.808 0.000 0.939 392 S HN 0.829 nan 8.310 nan 0.000 0.490 393 S N 3.848 119.357 115.700 -0.317 0.000 2.440 393 S HA -0.023 4.442 4.470 -0.009 0.000 0.238 393 S C 1.495 176.017 174.600 -0.129 0.000 1.010 393 S CA 0.957 59.041 58.200 -0.192 0.000 0.972 393 S CB -0.498 62.622 63.200 -0.132 0.000 0.774 393 S HN 0.891 nan 8.310 nan 0.000 0.501 394 G N 0.138 108.854 108.800 -0.140 0.000 3.233 394 G HA2 0.185 4.139 3.960 -0.009 0.000 0.234 394 G HA3 0.185 4.139 3.960 -0.009 0.000 0.234 394 G C 0.247 175.239 174.900 0.153 0.000 1.137 394 G CA -0.447 44.686 45.100 0.056 0.000 0.763 394 G HN 0.462 nan 8.290 nan 0.000 0.549 395 Q N 0.285 120.112 119.800 0.044 0.000 2.454 395 Q HA 0.181 4.515 4.340 -0.009 0.000 0.247 395 Q C 1.667 177.692 176.000 0.043 0.000 1.028 395 Q CA 0.318 56.163 55.803 0.070 0.000 0.910 395 Q CB 1.235 29.921 28.738 -0.086 0.000 1.276 395 Q HN 0.127 nan 8.270 nan 0.000 0.489 396 G N 1.693 110.517 108.800 0.040 0.000 2.501 396 G HA2 -0.119 3.836 3.960 -0.009 0.000 0.220 396 G HA3 -0.119 3.836 3.960 -0.009 0.000 0.220 396 G C 0.687 175.659 174.900 0.121 0.000 1.114 396 G CA 0.907 46.059 45.100 0.086 0.000 0.757 396 G HN 0.616 nan 8.290 nan 0.000 0.559 397 A N -0.466 122.410 122.820 0.094 0.000 2.661 397 A HA 0.385 4.700 4.320 -0.009 0.000 0.278 397 A C 1.985 179.600 177.584 0.052 0.000 1.090 397 A CA 1.081 53.205 52.037 0.145 0.000 0.969 397 A CB -0.386 18.821 19.000 0.346 0.000 1.240 397 A HN 0.252 nan 8.150 nan 0.000 0.578 398 T N 0.505 115.040 114.554 -0.030 0.000 2.684 398 T HA -0.328 4.016 4.350 -0.009 0.000 0.267 398 T C 1.520 176.171 174.700 -0.081 0.000 1.032 398 T CA 1.986 64.017 62.100 -0.116 0.000 1.155 398 T CB -0.712 68.085 68.868 -0.120 0.000 0.857 398 T HN 0.632 nan 8.240 nan 0.000 0.457 399 D N 2.053 122.441 120.400 -0.021 0.000 2.117 399 D HA -0.082 4.553 4.640 -0.009 0.000 0.198 399 D C 2.214 178.513 176.300 -0.003 0.000 0.982 399 D CA 0.856 54.850 54.000 -0.008 0.000 0.828 399 D CB -0.782 40.035 40.800 0.029 0.000 0.967 399 D HN 0.443 nan 8.370 nan 0.000 0.464 400 L N -0.467 120.764 121.223 0.013 0.000 2.017 400 L HA -0.135 4.200 4.340 -0.009 0.000 0.208 400 L C 2.798 179.736 176.870 0.114 0.000 1.073 400 L CA 0.910 55.760 54.840 0.017 0.000 0.745 400 L CB -0.445 41.644 42.059 0.051 0.000 0.894 400 L HN -0.045 nan 8.230 nan 0.000 0.432 401 M N -0.242 119.440 119.600 0.136 0.000 2.108 401 M HA -0.128 4.347 4.480 -0.009 0.000 0.261 401 M C 2.382 178.910 176.300 0.380 0.000 1.066 401 M CA 1.941 57.374 55.300 0.222 0.000 1.107 401 M CB -1.944 30.544 32.600 -0.186 0.000 1.356 401 M HN 0.331 nan 8.290 nan 0.000 0.406 402 G N -0.720 108.195 108.800 0.193 0.000 2.402 402 G HA2 -0.175 3.780 3.960 -0.009 0.000 0.216 402 G HA3 -0.175 3.780 3.960 -0.009 0.000 0.216 402 G C 1.627 176.713 174.900 0.311 0.000 1.162 402 G CA 1.400 46.707 45.100 0.346 0.000 0.777 402 G HN 0.401 nan 8.290 nan 0.000 0.539 403 T N 1.001 115.645 114.554 0.149 0.000 2.737 403 T HA -0.103 4.241 4.350 -0.009 0.000 0.265 403 T C 2.237 177.028 174.700 0.152 0.000 1.038 403 T CA 1.241 63.393 62.100 0.087 0.000 1.144 403 T CB -0.246 68.524 68.868 -0.164 0.000 0.866 403 T HN 0.151 nan 8.240 nan 0.000 0.434 404 L N 1.562 122.883 121.223 0.163 0.000 2.046 404 L HA 0.065 4.399 4.340 -0.009 0.000 0.208 404 L C 2.188 179.259 176.870 0.334 0.000 1.077 404 L CA 1.607 56.609 54.840 0.270 0.000 0.747 404 L CB -1.274 40.954 42.059 0.281 0.000 0.896 404 L HN 0.267 nan 8.230 nan 0.000 0.432 405 L N -0.960 120.441 121.223 0.298 0.000 2.012 405 L HA -0.202 4.133 4.340 -0.009 0.000 0.210 405 L C 2.286 179.283 176.870 0.211 0.000 1.073 405 L CA 1.999 56.930 54.840 0.152 0.000 0.748 405 L CB -0.378 41.687 42.059 0.011 0.000 0.891 405 L HN 0.275 nan 8.230 nan 0.000 0.431 406 M N -1.356 118.394 119.600 0.250 0.000 2.288 406 M HA -0.059 4.415 4.480 -0.009 0.000 0.266 406 M C 2.578 179.007 176.300 0.214 0.000 1.072 406 M CA 1.484 56.855 55.300 0.119 0.000 1.132 406 M CB -1.208 31.498 32.600 0.177 0.000 1.386 406 M HN 0.482 nan 8.290 nan 0.000 0.432 407 S N 1.074 117.038 115.700 0.441 0.000 2.368 407 S HA -0.077 4.388 4.470 -0.009 0.000 0.225 407 S C 1.816 176.739 174.600 0.539 0.000 1.030 407 S CA 0.890 59.467 58.200 0.627 0.000 0.999 407 S CB 0.017 63.700 63.200 0.805 0.000 0.844 407 S HN 0.288 nan 8.310 nan 0.000 0.459 408 I N 1.553 122.371 120.570 0.414 0.000 2.439 408 I HA -0.056 4.109 4.170 -0.009 0.000 0.251 408 I C 2.388 178.562 176.117 0.095 0.000 1.139 408 I CA 1.172 62.575 61.300 0.171 0.000 1.438 408 I CB -2.115 35.873 38.000 -0.019 0.000 1.085 408 I HN 0.315 nan 8.210 nan 0.000 0.427 409 T N 0.458 115.107 114.554 0.159 0.000 2.821 409 T HA -0.162 4.183 4.350 -0.009 0.000 0.267 409 T C 1.843 176.618 174.700 0.125 0.000 1.046 409 T CA 1.392 63.568 62.100 0.127 0.000 1.139 409 T CB -0.230 68.639 68.868 0.001 0.000 0.871 409 T HN 0.178 nan 8.240 nan 0.000 0.454 410 Y N 0.689 121.132 120.300 0.238 0.000 2.286 410 Y HA 0.154 4.699 4.550 -0.009 0.000 0.293 410 Y C 2.068 178.060 175.900 0.152 0.000 1.124 410 Y CA -0.211 58.008 58.100 0.199 0.000 1.178 410 Y CB -0.815 37.768 38.460 0.204 0.000 1.010 410 Y HN 0.112 nan 8.280 nan 0.000 0.536 411 L N -0.781 120.625 121.223 0.306 0.000 2.046 411 L HA -0.124 4.211 4.340 -0.009 0.000 0.208 411 L C 2.182 179.060 176.870 0.014 0.000 1.077 411 L CA 1.426 56.303 54.840 0.062 0.000 0.747 411 L CB -1.000 41.034 42.059 -0.042 0.000 0.896 411 L HN 0.023 nan 8.230 nan 0.000 0.432 412 V N -0.124 119.824 119.914 0.057 0.000 2.287 412 V HA -0.363 3.752 4.120 -0.009 0.000 0.248 412 V C 2.681 178.864 176.094 0.148 0.000 1.053 412 V CA 2.338 64.682 62.300 0.073 0.000 1.027 412 V CB -0.425 31.477 31.823 0.132 0.000 0.646 412 V HN 0.645 nan 8.190 nan 0.000 0.447 413 M N -1.029 118.706 119.600 0.224 0.000 2.260 413 M HA -0.292 4.183 4.480 -0.009 0.000 0.261 413 M C 2.153 178.645 176.300 0.319 0.000 1.066 413 M CA 1.851 57.331 55.300 0.300 0.000 1.082 413 M CB -0.105 32.674 32.600 0.298 0.000 1.388 413 M HN 0.426 nan 8.290 nan 0.000 0.419 414 Q N -0.234 119.702 119.800 0.227 0.000 2.123 414 Q HA -0.058 4.276 4.340 -0.009 0.000 0.196 414 Q C 2.059 178.149 176.000 0.150 0.000 0.958 414 Q CA 1.125 57.060 55.803 0.220 0.000 0.841 414 Q CB 0.047 28.823 28.738 0.064 0.000 0.915 414 Q HN 0.550 nan 8.270 nan 0.000 0.455 415 L N 0.767 122.013 121.223 0.038 0.000 1.994 415 L HA -0.224 4.111 4.340 -0.009 0.000 0.208 415 L C 1.884 178.749 176.870 -0.009 0.000 1.071 415 L CA 1.119 55.937 54.840 -0.037 0.000 0.745 415 L CB -0.678 41.322 42.059 -0.097 0.000 0.892 415 L HN 0.204 nan 8.230 nan 0.000 0.431 416 D N -0.634 119.776 120.400 0.016 0.000 2.126 416 D HA -0.216 4.418 4.640 -0.009 0.000 0.190 416 D C 2.089 178.303 176.300 -0.144 0.000 1.001 416 D CA 1.560 55.514 54.000 -0.078 0.000 0.841 416 D CB -0.169 40.589 40.800 -0.069 0.000 0.949 416 D HN 0.425 nan 8.370 nan 0.000 0.446 417 H N -1.969 117.144 119.070 0.073 0.000 2.654 417 H HA 0.167 4.718 4.556 -0.009 0.000 0.264 417 H C 1.573 176.947 175.328 0.077 0.000 0.954 417 H CA 1.422 57.515 56.048 0.075 0.000 1.199 417 H CB 0.983 30.801 29.762 0.094 0.000 1.446 417 H HN 0.284 nan 8.280 nan 0.000 0.516 418 T N -3.326 111.359 114.554 0.218 0.000 3.048 418 T HA 0.376 4.721 4.350 -0.009 0.000 0.254 418 T C 1.005 175.822 174.700 0.194 0.000 0.942 418 T CA 0.279 62.499 62.100 0.201 0.000 0.931 418 T CB 0.364 69.434 68.868 0.336 0.000 1.220 418 T HN 0.133 nan 8.240 nan 0.000 0.503 419 A N 2.157 125.034 122.820 0.095 0.000 3.317 419 A HA 0.691 5.006 4.320 -0.009 0.000 0.307 419 A C -2.193 175.178 177.584 -0.354 0.000 1.003 419 A CA -1.119 50.825 52.037 -0.156 0.000 0.882 419 A CB 0.676 19.546 19.000 -0.215 0.000 1.136 419 A HN 0.221 nan 8.150 nan 0.000 0.488 420 P HA -0.190 nan 4.420 nan 0.000 0.220 420 P C 1.269 178.484 177.300 -0.142 0.000 1.148 420 P CA 1.339 64.374 63.100 -0.108 0.000 0.803 420 P CB -0.201 31.493 31.700 -0.010 0.000 0.782 421 H N -0.846 118.200 119.070 -0.040 0.000 2.518 421 H HA 0.014 4.565 4.556 -0.009 0.000 0.289 421 H C 1.525 176.802 175.328 -0.085 0.000 1.051 421 H CA 0.721 56.740 56.048 -0.049 0.000 1.280 421 H CB -1.143 28.606 29.762 -0.022 0.000 1.380 421 H HN 0.211 nan 8.280 nan 0.000 0.566 422 L N 0.536 121.521 121.223 -0.397 0.000 2.375 422 L HA -0.040 4.295 4.340 -0.009 0.000 0.215 422 L C 2.000 178.628 176.870 -0.404 0.000 1.108 422 L CA 0.088 54.703 54.840 -0.376 0.000 0.830 422 L CB -0.290 41.488 42.059 -0.468 0.000 0.959 422 L HN 0.139 nan 8.230 nan 0.000 0.457 423 N N 0.646 119.159 118.700 -0.312 0.000 2.132 423 N HA -0.210 4.525 4.740 -0.009 0.000 0.191 423 N C 1.984 177.355 175.510 -0.233 0.000 1.015 423 N CA 1.930 54.819 53.050 -0.268 0.000 0.864 423 N CB -0.243 38.139 38.487 -0.175 0.000 1.006 423 N HN 0.405 nan 8.380 nan 0.000 0.430 424 S N 0.448 116.039 115.700 -0.180 0.000 2.507 424 S HA 0.025 4.490 4.470 -0.009 0.000 0.235 424 S C 1.521 176.032 174.600 -0.147 0.000 0.988 424 S CA 0.380 58.502 58.200 -0.129 0.000 0.944 424 S CB 0.017 63.169 63.200 -0.081 0.000 0.762 424 S HN 0.232 nan 8.310 nan 0.000 0.526 425 R N 0.743 121.100 120.500 -0.239 0.000 2.297 425 R HA 0.343 4.677 4.340 -0.009 0.000 0.197 425 R C 0.121 176.282 176.300 -0.233 0.000 0.943 425 R CA 0.313 56.268 56.100 -0.242 0.000 1.038 425 R CB -0.134 29.939 30.300 -0.378 0.000 0.957 425 R HN 0.527 nan 8.270 nan 0.000 0.484 426 I N 0.908 121.328 120.570 -0.250 0.000 2.460 426 I HA 0.242 4.407 4.170 -0.009 0.000 0.277 426 I C 0.446 176.494 176.117 -0.115 0.000 1.057 426 I CA -0.175 61.017 61.300 -0.180 0.000 1.179 426 I CB 1.400 39.261 38.000 -0.231 0.000 1.329 426 I HN -0.158 nan 8.210 nan 0.000 0.478 427 K N 2.567 122.922 120.400 -0.075 0.000 2.462 427 K HA 0.173 4.488 4.320 -0.009 0.000 0.201 427 K C -0.321 176.258 176.600 -0.034 0.000 1.268 427 K CA 0.206 56.461 56.287 -0.054 0.000 0.933 427 K CB 0.714 33.187 32.500 -0.046 0.000 1.162 427 K HN 0.708 nan 8.250 nan 0.000 0.527 428 D N -1.903 118.482 120.400 -0.025 0.000 2.812 428 D HA 0.165 4.799 4.640 -0.009 0.000 0.318 428 D C 0.677 176.974 176.300 -0.005 0.000 1.234 428 D CA -0.729 53.264 54.000 -0.012 0.000 0.989 428 D CB 0.346 41.142 40.800 -0.006 0.000 1.442 428 D HN -0.368 nan 8.370 nan 0.000 0.537 429 M N -0.572 119.031 119.600 0.004 0.000 2.059 429 M HA 0.040 4.515 4.480 -0.009 0.000 0.259 429 M C -1.017 175.293 176.300 0.016 0.000 1.072 429 M CA 1.451 56.758 55.300 0.011 0.000 1.117 429 M CB -2.290 30.322 32.600 0.019 0.000 1.320 429 M HN 0.350 nan 8.290 nan 0.000 0.408 430 P HA -0.123 nan 4.420 nan 0.000 0.216 430 P C 1.692 179.009 177.300 0.027 0.000 1.153 430 P CA 2.242 65.356 63.100 0.025 0.000 0.858 430 P CB -0.272 31.441 31.700 0.023 0.000 0.789 431 S N -0.757 114.954 115.700 0.018 0.000 2.383 431 S HA -0.101 4.364 4.470 -0.009 0.000 0.227 431 S C 2.096 176.720 174.600 0.041 0.000 1.026 431 S CA 1.081 59.295 58.200 0.023 0.000 0.981 431 S CB -1.460 61.738 63.200 -0.002 0.000 0.818 431 S HN 0.115 nan 8.310 nan 0.000 0.472 432 A N 1.421 124.252 122.820 0.018 0.000 1.859 432 A HA -0.141 4.174 4.320 -0.009 0.000 0.217 432 A C 2.574 180.177 177.584 0.031 0.000 1.198 432 A CA 1.807 53.857 52.037 0.022 0.000 0.629 432 A CB -1.693 17.302 19.000 -0.009 0.000 0.830 432 A HN 0.713 nan 8.150 nan 0.000 0.446 433 C N -1.031 118.275 119.300 0.010 0.000 2.413 433 C HA -0.126 4.329 4.460 -0.009 0.000 0.277 433 C C 2.865 177.858 174.990 0.005 0.000 1.228 433 C CA 1.218 60.231 59.018 -0.008 0.000 1.731 433 C CB -1.466 26.290 27.740 0.026 0.000 2.042 433 C HN 0.608 nan 8.230 nan 0.000 0.468 434 R N -0.426 120.104 120.500 0.049 0.000 2.105 434 R HA -0.168 4.167 4.340 -0.009 0.000 0.239 434 R C 2.067 178.415 176.300 0.079 0.000 1.135 434 R CA 1.787 57.928 56.100 0.069 0.000 0.967 434 R CB -0.580 29.766 30.300 0.077 0.000 0.861 434 R HN 0.613 nan 8.270 nan 0.000 0.442 435 F N 1.319 121.236 119.950 -0.055 0.000 2.060 435 F HA -0.155 4.367 4.527 -0.009 0.000 0.295 435 F C 2.050 177.784 175.800 -0.111 0.000 1.120 435 F CA 1.082 59.038 58.000 -0.074 0.000 1.205 435 F CB -0.600 38.336 39.000 -0.106 0.000 0.986 435 F HN -0.119 nan 8.300 nan 0.000 0.470 436 L N 1.106 122.115 121.223 -0.357 0.000 2.013 436 L HA -0.272 4.063 4.340 -0.009 0.000 0.212 436 L C 2.295 178.803 176.870 -0.603 0.000 1.073 436 L CA 2.440 56.891 54.840 -0.649 0.000 0.753 436 L CB -1.333 40.314 42.059 -0.687 0.000 0.890 436 L HN 0.354 nan 8.230 nan 0.000 0.432 437 D N -1.424 118.790 120.400 -0.311 0.000 2.149 437 D HA -0.235 4.399 4.640 -0.009 0.000 0.194 437 D C 2.121 178.421 176.300 0.000 0.000 1.001 437 D CA 1.661 55.642 54.000 -0.033 0.000 0.849 437 D CB 0.123 41.002 40.800 0.132 0.000 0.939 437 D HN 0.455 nan 8.370 nan 0.000 0.449 438 S N -1.535 114.109 115.700 -0.093 0.000 2.368 438 S HA -0.164 4.301 4.470 -0.009 0.000 0.224 438 S C 1.960 176.458 174.600 -0.169 0.000 1.029 438 S CA 0.857 59.026 58.200 -0.051 0.000 0.988 438 S CB -0.566 62.630 63.200 -0.007 0.000 0.838 438 S HN 0.486 nan 8.310 nan 0.000 0.462 439 Y N 0.108 120.087 120.300 -0.535 0.000 2.128 439 Y HA -0.204 4.340 4.550 -0.009 0.000 0.284 439 Y C 1.971 177.708 175.900 -0.272 0.000 1.154 439 Y CA 1.979 59.758 58.100 -0.536 0.000 1.149 439 Y CB -0.251 37.697 38.460 -0.854 0.000 0.976 439 Y HN 0.362 nan 8.280 nan 0.000 0.505 440 W N 1.067 122.038 121.300 -0.548 0.000 2.402 440 W HA -0.107 4.548 4.660 -0.009 0.000 0.286 440 W C 2.130 178.413 176.519 -0.392 0.000 1.221 440 W CA 1.040 58.028 57.345 -0.595 0.000 1.257 440 W CB -0.833 28.271 29.460 -0.594 0.000 1.120 440 W HN 0.307 nan 8.180 nan 0.000 0.551 441 Q N -0.550 119.193 119.800 -0.095 0.000 2.515 441 Q HA 0.088 4.422 4.340 -0.009 0.000 0.212 441 Q C 1.633 177.238 176.000 -0.658 0.000 0.970 441 Q CA 0.950 56.569 55.803 -0.306 0.000 0.941 441 Q CB -0.332 28.099 28.738 -0.512 0.000 0.998 441 Q HN 0.344 nan 8.270 nan 0.000 0.518 442 G N 1.165 109.538 108.800 -0.712 0.000 2.143 442 G HA2 -0.238 3.716 3.960 -0.009 0.000 0.248 442 G HA3 -0.238 3.716 3.960 -0.009 0.000 0.248 442 G C 0.073 174.685 174.900 -0.480 0.000 0.991 442 G CA 0.178 44.656 45.100 -1.038 0.000 0.689 442 G HN 0.438 nan 8.290 nan 0.000 0.522 443 H N 0.904 119.832 119.070 -0.237 0.000 2.708 443 H HA 0.362 4.913 4.556 -0.009 0.000 0.309 443 H C 0.801 176.096 175.328 -0.055 0.000 1.084 443 H CA 0.602 56.586 56.048 -0.107 0.000 1.165 443 H CB 0.305 30.038 29.762 -0.050 0.000 1.388 443 H HN 0.555 nan 8.280 nan 0.000 0.553 444 E N -0.161 120.060 120.200 0.034 0.000 2.446 444 E HA 0.061 4.405 4.350 -0.009 0.000 0.276 444 E C 0.707 177.342 176.600 0.059 0.000 0.969 444 E CA -0.443 56.003 56.400 0.078 0.000 0.800 444 E CB 1.441 31.207 29.700 0.110 0.000 1.341 444 E HN 0.427 nan 8.360 nan 0.000 0.460 445 E N 0.359 120.616 120.200 0.095 0.000 2.482 445 E HA 0.015 4.360 4.350 -0.009 0.000 0.196 445 E C 0.742 177.354 176.600 0.021 0.000 1.047 445 E CA 0.493 56.947 56.400 0.089 0.000 0.869 445 E CB -0.293 29.497 29.700 0.151 0.000 0.836 445 E HN 0.393 nan 8.360 nan 0.000 0.520 446 I N -1.542 119.013 120.570 -0.025 0.000 2.603 446 I HA 0.655 4.820 4.170 -0.009 0.000 0.300 446 I C -0.554 175.492 176.117 -0.118 0.000 1.017 446 I CA -1.459 59.703 61.300 -0.229 0.000 1.098 446 I CB 1.857 39.724 38.000 -0.222 0.000 1.279 446 I HN -0.185 nan 8.210 nan 0.000 0.437 447 R N 3.148 123.411 120.500 -0.394 0.000 2.680 447 R HA 0.512 4.847 4.340 -0.009 0.000 0.269 447 R C -1.635 174.462 176.300 -0.339 0.000 1.026 447 R CA -0.832 55.087 56.100 -0.301 0.000 0.889 447 R CB 2.451 32.629 30.300 -0.204 0.000 1.241 447 R HN 0.825 nan 8.270 nan 0.000 0.463 448 Q N 2.392 122.105 119.800 -0.146 0.000 2.359 448 Q HA 0.645 4.980 4.340 -0.009 0.000 0.274 448 Q C -1.197 174.848 176.000 0.075 0.000 1.074 448 Q CA -0.993 54.774 55.803 -0.059 0.000 0.810 448 Q CB 2.076 30.806 28.738 -0.013 0.000 1.342 448 Q HN 0.647 nan 8.270 nan 0.000 0.427 449 I N 0.233 120.812 120.570 0.016 0.000 2.406 449 I HA 0.840 5.005 4.170 -0.009 0.000 0.290 449 I C -0.725 175.248 176.117 -0.240 0.000 0.999 449 I CA -0.637 60.593 61.300 -0.115 0.000 1.124 449 I CB 1.946 39.691 38.000 -0.425 0.000 1.289 449 I HN 0.813 nan 8.210 nan 0.000 0.441 450 S N 4.374 120.192 115.700 0.198 0.000 2.596 450 S HA 0.612 5.076 4.470 -0.009 0.000 0.270 450 S C -1.209 173.774 174.600 0.638 0.000 1.155 450 S CA -0.937 57.500 58.200 0.396 0.000 0.827 450 S CB 2.438 65.865 63.200 0.378 0.000 1.130 450 S HN 0.811 nan 8.310 nan 0.000 0.467 451 K N 1.540 122.236 120.400 0.492 0.000 2.668 451 K HA 0.558 4.873 4.320 -0.009 0.000 0.246 451 K C 0.078 176.813 176.600 0.225 0.000 0.976 451 K CA -0.105 56.380 56.287 0.330 0.000 0.902 451 K CB 1.072 33.707 32.500 0.226 0.000 1.172 451 K HN 0.908 nan 8.250 nan 0.000 0.452 452 S N 1.708 117.526 115.700 0.197 0.000 4.150 452 S HA -0.294 4.171 4.470 -0.009 0.000 0.551 452 S C 0.717 175.447 174.600 0.215 0.000 1.874 452 S CA 1.978 60.251 58.200 0.121 0.000 4.241 452 S CB -1.007 62.148 63.200 -0.075 0.000 0.292 452 S HN 0.974 nan 8.310 nan 0.000 0.469 453 D N 1.846 122.307 120.400 0.103 0.000 2.349 453 D HA 0.297 4.931 4.640 -0.009 0.000 0.214 453 D C -0.163 176.300 176.300 0.272 0.000 1.063 453 D CA 0.140 54.282 54.000 0.237 0.000 0.847 453 D CB -0.281 40.624 40.800 0.175 0.000 0.933 453 D HN 0.336 nan 8.370 nan 0.000 0.513 454 D N 0.439 120.980 120.400 0.236 0.000 2.198 454 D HA 0.626 5.261 4.640 -0.009 0.000 0.245 454 D C -0.924 175.602 176.300 0.377 0.000 1.079 454 D CA -0.387 53.773 54.000 0.268 0.000 0.854 454 D CB 1.541 42.443 40.800 0.170 0.000 1.148 454 D HN 0.207 nan 8.370 nan 0.000 0.456 455 A N 3.165 126.122 122.820 0.228 0.000 2.605 455 A HA 0.663 4.978 4.320 -0.009 0.000 0.294 455 A C -1.261 176.200 177.584 -0.205 0.000 1.062 455 A CA -0.702 51.292 52.037 -0.071 0.000 0.682 455 A CB 1.277 20.038 19.000 -0.398 0.000 1.278 455 A HN 0.519 nan 8.150 nan 0.000 0.410 456 M N 1.821 121.205 119.600 -0.360 0.000 2.326 456 M HA 0.506 4.981 4.480 -0.009 0.000 0.306 456 M C -1.341 174.906 176.300 -0.088 0.000 1.054 456 M CA -0.295 54.922 55.300 -0.138 0.000 0.922 456 M CB 1.858 34.429 32.600 -0.047 0.000 1.632 456 M HN 0.601 nan 8.290 nan 0.000 0.436 457 L N 1.931 123.060 121.223 -0.157 0.000 2.317 457 L HA 0.878 5.212 4.340 -0.009 0.000 0.281 457 L C 0.279 176.657 176.870 -0.819 0.000 1.024 457 L CA -0.766 53.794 54.840 -0.466 0.000 0.810 457 L CB 1.743 43.552 42.059 -0.416 0.000 1.240 457 L HN 0.799 nan 8.230 nan 0.000 0.427 458 G N 1.703 109.539 108.800 -1.606 0.000 2.542 458 G HA2 0.561 4.515 3.960 -0.009 0.000 0.311 458 G HA3 0.561 4.515 3.960 -0.009 0.000 0.311 458 G C -1.841 172.225 174.900 -1.391 0.000 1.298 458 G CA -0.351 43.554 45.100 -1.992 0.000 0.973 458 G HN 0.451 nan 8.290 nan 0.000 0.487 459 W N 1.875 122.866 121.300 -0.515 0.000 2.587 459 W HA 0.427 5.082 4.660 -0.009 0.000 0.324 459 W C 0.414 176.867 176.519 -0.111 0.000 1.040 459 W CA -0.645 56.562 57.345 -0.229 0.000 1.222 459 W CB 2.332 31.738 29.460 -0.089 0.000 1.381 459 W HN 0.721 nan 8.180 nan 0.000 0.483 460 T N -0.186 114.448 114.554 0.132 0.000 2.881 460 T HA 0.315 4.659 4.350 -0.009 0.000 0.278 460 T C 0.357 175.170 174.700 0.189 0.000 0.982 460 T CA -0.842 61.362 62.100 0.174 0.000 0.989 460 T CB 1.573 70.529 68.868 0.146 0.000 1.058 460 T HN 0.114 nan 8.240 nan 0.000 0.529 461 K N 1.296 121.794 120.400 0.163 0.000 2.504 461 K HA 0.399 4.714 4.320 -0.009 0.000 0.278 461 K C 0.650 177.322 176.600 0.119 0.000 1.025 461 K CA 1.033 57.399 56.287 0.132 0.000 1.093 461 K CB -0.056 32.507 32.500 0.104 0.000 0.873 461 K HN 1.027 nan 8.250 nan 0.000 0.483 462 G N 1.837 110.702 108.800 0.108 0.000 2.333 462 G HA2 0.004 3.959 3.960 -0.009 0.000 0.288 462 G HA3 0.004 3.959 3.960 -0.009 0.000 0.288 462 G C 0.310 175.254 174.900 0.073 0.000 1.286 462 G CA -0.783 44.371 45.100 0.090 0.000 0.865 462 G HN 0.494 nan 8.290 nan 0.000 0.506 463 R N -0.421 120.095 120.500 0.027 0.000 2.070 463 R HA -0.010 4.325 4.340 -0.009 0.000 0.233 463 R C 3.050 179.411 176.300 0.101 0.000 1.137 463 R CA 1.953 58.027 56.100 -0.043 0.000 0.945 463 R CB -0.562 29.521 30.300 -0.361 0.000 0.845 463 R HN 0.625 nan 8.270 nan 0.000 0.430 464 A N 1.434 124.424 122.820 0.284 0.000 1.986 464 A HA -0.190 4.125 4.320 -0.009 0.000 0.220 464 A C 2.033 179.736 177.584 0.199 0.000 1.171 464 A CA 1.156 53.406 52.037 0.356 0.000 0.640 464 A CB -0.540 18.747 19.000 0.479 0.000 0.811 464 A HN 0.283 nan 8.150 nan 0.000 0.451 465 L N -0.197 121.136 121.223 0.182 0.000 2.089 465 L HA -0.151 4.184 4.340 -0.009 0.000 0.213 465 L C 2.371 179.252 176.870 0.020 0.000 1.079 465 L CA 2.424 57.328 54.840 0.105 0.000 0.758 465 L CB -0.755 41.398 42.059 0.157 0.000 0.891 465 L HN 0.235 nan 8.230 nan 0.000 0.433 466 V N -0.427 119.504 119.914 0.029 0.000 2.719 466 V HA 0.021 4.136 4.120 -0.009 0.000 0.252 466 V C 2.365 178.446 176.094 -0.022 0.000 1.065 466 V CA 1.387 63.697 62.300 0.016 0.000 1.086 466 V CB -0.502 31.307 31.823 -0.023 0.000 0.700 466 V HN 0.571 nan 8.190 nan 0.000 0.467 467 G N -0.108 108.666 108.800 -0.044 0.000 2.432 467 G HA2 -0.151 3.804 3.960 -0.009 0.000 0.219 467 G HA3 -0.151 3.804 3.960 -0.009 0.000 0.219 467 G C 1.551 176.321 174.900 -0.217 0.000 1.135 467 G CA 0.807 45.876 45.100 -0.050 0.000 0.767 467 G HN 0.665 nan 8.290 nan 0.000 0.550 468 G N -0.103 108.342 108.800 -0.591 0.000 2.446 468 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.217 468 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.217 468 G C 1.596 176.101 174.900 -0.658 0.000 1.168 468 G CA 0.989 45.309 45.100 -1.301 0.000 0.771 468 G HN 0.558 nan 8.290 nan 0.000 0.551 469 H N -0.012 118.839 119.070 -0.365 0.000 2.423 469 H HA 0.074 4.624 4.556 -0.009 0.000 0.297 469 H C 2.815 178.078 175.328 -0.108 0.000 1.075 469 H CA 0.853 56.788 56.048 -0.189 0.000 1.342 469 H CB 0.185 29.838 29.762 -0.180 0.000 1.395 469 H HN 0.265 nan 8.280 nan 0.000 0.530 470 R N 0.341 120.847 120.500 0.009 0.000 2.073 470 R HA -0.099 4.236 4.340 -0.009 0.000 0.229 470 R C 2.357 178.674 176.300 0.028 0.000 1.120 470 R CA 0.564 56.678 56.100 0.023 0.000 0.967 470 R CB -0.311 30.006 30.300 0.029 0.000 0.862 470 R HN 0.138 nan 8.270 nan 0.000 0.436 471 L N 0.556 121.769 121.223 -0.017 0.000 1.970 471 L HA -0.203 4.131 4.340 -0.009 0.000 0.212 471 L C 2.050 178.942 176.870 0.037 0.000 1.071 471 L CA 1.763 56.580 54.840 -0.038 0.000 0.751 471 L CB -0.998 41.019 42.059 -0.071 0.000 0.889 471 L HN 0.040 nan 8.230 nan 0.000 0.432 472 F N 0.942 120.806 119.950 -0.142 0.000 2.087 472 F HA -0.287 4.235 4.527 -0.008 0.000 0.299 472 F C 2.566 178.336 175.800 -0.050 0.000 1.100 472 F CA 2.120 60.068 58.000 -0.086 0.000 1.226 472 F CB -0.734 38.183 39.000 -0.139 0.000 0.983 472 F HN 0.354 nan 8.300 nan 0.000 0.479 473 E N 0.161 120.486 120.200 0.207 0.000 2.110 473 E HA -0.278 4.067 4.350 -0.009 0.000 0.193 473 E C 2.306 178.943 176.600 0.061 0.000 0.988 473 E CA 1.764 58.219 56.400 0.092 0.000 0.804 473 E CB -0.571 29.153 29.700 0.040 0.000 0.745 473 E HN 0.543 nan 8.360 nan 0.000 0.458 474 M N -0.644 118.990 119.600 0.057 0.000 2.358 474 M HA -0.106 4.369 4.480 -0.009 0.000 0.264 474 M C 1.280 177.599 176.300 0.031 0.000 1.064 474 M CA 1.301 56.620 55.300 0.032 0.000 1.093 474 M CB 0.054 32.661 32.600 0.011 0.000 1.401 474 M HN 0.163 nan 8.290 nan 0.000 0.440 475 L N -0.077 121.175 121.223 0.049 0.000 2.102 475 L HA -0.069 4.266 4.340 -0.009 0.000 0.202 475 L C 2.652 179.488 176.870 -0.057 0.000 1.076 475 L CA 1.073 55.942 54.840 0.047 0.000 0.761 475 L CB -0.853 41.245 42.059 0.065 0.000 0.921 475 L HN 0.305 nan 8.230 nan 0.000 0.444 476 K N 0.724 121.035 120.400 -0.150 0.000 2.020 476 K HA -0.245 4.070 4.320 -0.009 0.000 0.212 476 K C 1.966 178.483 176.600 -0.138 0.000 1.050 476 K CA 1.889 57.976 56.287 -0.333 0.000 0.929 476 K CB -0.025 32.260 32.500 -0.358 0.000 0.714 476 K HN 0.320 nan 8.250 nan 0.000 0.443 477 E N -0.709 119.452 120.200 -0.065 0.000 2.077 477 E HA -0.095 4.249 4.350 -0.009 0.000 0.193 477 E C 0.661 177.272 176.600 0.018 0.000 0.989 477 E CA 0.693 57.080 56.400 -0.021 0.000 0.800 477 E CB -0.185 29.510 29.700 -0.008 0.000 0.746 477 E HN 0.609 nan 8.360 nan 0.000 0.452 478 G N 1.634 110.456 108.800 0.036 0.000 2.372 478 G HA2 -0.321 3.634 3.960 -0.009 0.000 0.297 478 G HA3 -0.321 3.634 3.960 -0.009 0.000 0.297 478 G C 0.360 175.295 174.900 0.057 0.000 1.005 478 G CA 1.092 46.234 45.100 0.070 0.000 1.173 478 G HN 0.237 nan 8.290 nan 0.000 0.511 479 K N -1.509 118.917 120.400 0.043 0.000 2.391 479 K HA 0.352 4.666 4.320 -0.009 0.000 0.197 479 K C 0.735 177.358 176.600 0.038 0.000 1.087 479 K CA 0.460 56.769 56.287 0.038 0.000 1.012 479 K CB 1.181 33.699 32.500 0.029 0.000 0.925 479 K HN 0.342 nan 8.250 nan 0.000 0.547 480 V N 1.591 121.531 119.914 0.042 0.000 2.680 480 V HA 0.250 4.365 4.120 -0.009 0.000 0.309 480 V C -0.781 175.341 176.094 0.046 0.000 1.052 480 V CA -1.341 60.986 62.300 0.045 0.000 0.908 480 V CB 1.703 33.560 31.823 0.055 0.000 1.001 480 V HN 0.084 nan 8.190 nan 0.000 0.431 481 N N 5.050 123.775 118.700 0.042 0.000 2.408 481 N HA 0.333 5.068 4.740 -0.009 0.000 0.257 481 N C -1.281 174.263 175.510 0.056 0.000 1.064 481 N CA -1.984 51.090 53.050 0.039 0.000 0.952 481 N CB 1.577 40.074 38.487 0.017 0.000 1.093 481 N HN 0.410 nan 8.380 nan 0.000 0.490 482 P HA 0.001 nan 4.420 nan 0.000 0.234 482 P C -0.228 177.166 177.300 0.157 0.000 1.167 482 P CA 0.450 63.580 63.100 0.050 0.000 0.763 482 P CB 0.527 32.154 31.700 -0.121 0.000 0.835 483 S N -0.396 115.359 115.700 0.092 0.000 2.599 483 S HA 0.528 4.993 4.470 -0.009 0.000 0.294 483 S C -2.133 172.436 174.600 -0.052 0.000 1.094 483 S CA -1.639 56.597 58.200 0.059 0.000 0.931 483 S CB 1.732 64.999 63.200 0.113 0.000 1.093 483 S HN -0.208 nan 8.310 nan 0.000 0.488 484 P HA 0.133 nan 4.420 nan 0.000 0.226 484 P C 0.199 177.327 177.300 -0.287 0.000 1.161 484 P CA 0.737 63.616 63.100 -0.368 0.000 0.804 484 P CB 0.106 31.361 31.700 -0.742 0.000 0.829 485 Y N -1.693 118.663 120.300 0.093 0.000 2.343 485 Y HA 0.228 4.773 4.550 -0.009 0.000 0.294 485 Y C 1.492 177.385 175.900 -0.011 0.000 1.122 485 Y CA 0.624 58.791 58.100 0.113 0.000 1.173 485 Y CB -0.135 38.432 38.460 0.179 0.000 1.077 485 Y HN -0.152 nan 8.280 nan 0.000 0.542 486 M N -0.583 119.066 119.600 0.082 0.000 2.667 486 M HA 0.298 4.773 4.480 -0.009 0.000 0.286 486 M C -0.845 175.382 176.300 -0.122 0.000 1.270 486 M CA -0.895 54.353 55.300 -0.087 0.000 0.826 486 M CB 1.928 34.495 32.600 -0.054 0.000 1.743 486 M HN -0.212 nan 8.290 nan 0.000 0.460 487 K N 1.972 122.232 120.400 -0.233 0.000 2.219 487 K HA 0.445 4.760 4.320 -0.009 0.000 0.280 487 K C -0.574 176.015 176.600 -0.019 0.000 1.104 487 K CA -0.211 55.990 56.287 -0.142 0.000 0.925 487 K CB 0.253 32.623 32.500 -0.216 0.000 1.261 487 K HN 0.398 nan 8.250 nan 0.000 0.445 488 I N 1.256 121.851 120.570 0.042 0.000 2.797 488 I HA 0.309 4.474 4.170 -0.009 0.000 0.310 488 I C 0.851 177.043 176.117 0.125 0.000 0.990 488 I CA -0.268 61.102 61.300 0.117 0.000 1.228 488 I CB 1.290 39.392 38.000 0.170 0.000 1.406 488 I HN 0.607 nan 8.210 nan 0.000 0.534 489 S N 1.804 117.604 115.700 0.166 0.000 2.660 489 S HA 0.407 4.872 4.470 -0.009 0.000 0.264 489 S C -1.247 173.493 174.600 0.234 0.000 1.131 489 S CA -0.966 57.353 58.200 0.199 0.000 0.846 489 S CB 1.105 64.407 63.200 0.169 0.000 1.151 489 S HN 0.547 nan 8.310 nan 0.000 0.486 490 Y N 0.861 121.211 120.300 0.083 0.000 2.323 490 Y HA 0.692 5.236 4.550 -0.009 0.000 0.331 490 Y C -0.030 175.939 175.900 0.115 0.000 1.092 490 Y CA -0.931 57.211 58.100 0.071 0.000 1.150 490 Y CB 0.595 39.086 38.460 0.051 0.000 1.200 490 Y HN 0.715 nan 8.280 nan 0.000 0.472 491 Q N 3.682 123.462 119.800 -0.034 0.000 2.311 491 Q HA 0.002 4.337 4.340 -0.009 0.000 0.272 491 Q C -0.468 175.430 176.000 -0.171 0.000 1.012 491 Q CA 0.002 55.756 55.803 -0.081 0.000 0.891 491 Q CB 0.359 29.125 28.738 0.047 0.000 1.201 491 Q HN 0.755 nan 8.270 nan 0.000 0.391 492 H N 1.927 120.817 119.070 -0.301 0.000 3.004 492 H HA 0.172 4.722 4.556 -0.009 0.000 0.267 492 H C 0.205 175.531 175.328 -0.003 0.000 1.165 492 H CA 0.688 56.621 56.048 -0.191 0.000 1.450 492 H CB 0.012 29.665 29.762 -0.181 0.000 1.488 492 H HN 0.973 nan 8.280 nan 0.000 0.478 493 G N 3.962 112.695 108.800 -0.112 0.000 2.799 493 G HA2 -0.190 3.764 3.960 -0.009 0.000 0.271 493 G HA3 -0.190 3.764 3.960 -0.009 0.000 0.271 493 G C 0.478 175.417 174.900 0.064 0.000 1.067 493 G CA -0.211 44.881 45.100 -0.013 0.000 1.251 493 G HN 0.921 nan 8.290 nan 0.000 0.560 494 G N -0.095 108.785 108.800 0.133 0.000 2.432 494 G HA2 0.794 4.749 3.960 -0.009 0.000 0.239 494 G HA3 0.794 4.749 3.960 -0.009 0.000 0.239 494 G C 0.418 175.390 174.900 0.120 0.000 1.291 494 G CA 0.670 45.854 45.100 0.141 0.000 0.863 494 G HN 2.039 nan 8.290 nan 0.000 0.560 495 A N 1.126 124.034 122.820 0.147 0.000 2.609 495 A HA 0.723 5.038 4.320 -0.009 0.000 0.291 495 A C -1.779 175.970 177.584 0.275 0.000 1.096 495 A CA -0.653 51.505 52.037 0.201 0.000 0.684 495 A CB 1.719 20.801 19.000 0.137 0.000 1.282 495 A HN 1.078 nan 8.150 nan 0.000 0.412 496 F N 1.731 121.746 119.950 0.108 0.000 2.477 496 F HA 0.590 5.112 4.527 -0.009 0.000 0.335 496 F C 0.002 175.723 175.800 -0.131 0.000 1.130 496 F CA -1.200 56.783 58.000 -0.027 0.000 0.948 496 F CB 1.262 40.221 39.000 -0.068 0.000 1.154 496 F HN 0.430 nan 8.300 nan 0.000 0.439 497 L N 6.142 126.936 121.223 -0.715 0.000 3.854 497 L HA -0.137 4.197 4.340 -0.009 0.000 0.460 497 L C 1.190 177.852 176.870 -0.348 0.000 1.228 497 L CA 1.303 55.768 54.840 -0.625 0.000 0.760 497 L CB -1.685 39.815 42.059 -0.931 0.000 1.597 497 L HN 1.176 nan 8.230 nan 0.000 0.852 498 G N -1.319 107.377 108.800 -0.174 0.000 2.155 498 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.257 498 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.257 498 G C 0.192 175.061 174.900 -0.051 0.000 0.983 498 G CA 0.396 45.444 45.100 -0.086 0.000 0.676 498 G HN 0.521 nan 8.290 nan 0.000 0.528 499 D N -0.018 120.354 120.400 -0.046 0.000 2.375 499 D HA 0.531 5.166 4.640 -0.009 0.000 0.247 499 D C 0.558 176.980 176.300 0.203 0.000 1.061 499 D CA -0.428 53.601 54.000 0.048 0.000 0.834 499 D CB 1.593 42.368 40.800 -0.041 0.000 1.247 499 D HN 0.189 nan 8.370 nan 0.000 0.489 500 I N 1.708 122.388 120.570 0.184 0.000 2.532 500 I HA 0.079 4.244 4.170 -0.009 0.000 0.292 500 I C 0.000 176.169 176.117 0.086 0.000 1.014 500 I CA -0.800 60.584 61.300 0.141 0.000 1.340 500 I CB 1.282 39.322 38.000 0.066 0.000 1.422 500 I HN 0.072 nan 8.210 nan 0.000 0.528 501 L N 7.318 128.484 121.223 -0.096 0.000 2.283 501 L HA 0.249 4.584 4.340 -0.009 0.000 0.287 501 L C -0.577 176.029 176.870 -0.440 0.000 1.073 501 L CA -0.230 54.296 54.840 -0.523 0.000 0.822 501 L CB 0.734 42.393 42.059 -0.668 0.000 1.186 501 L HN 0.355 nan 8.230 nan 0.000 0.436 502 L N 6.880 127.879 121.223 -0.373 0.000 2.302 502 L HA 0.333 4.668 4.340 -0.009 0.000 0.285 502 L C -0.909 175.858 176.870 -0.172 0.000 1.090 502 L CA 0.049 54.781 54.840 -0.180 0.000 0.866 502 L CB -0.357 41.657 42.059 -0.076 0.000 1.244 502 L HN 0.396 nan 8.230 nan 0.000 0.435 503 Y N 2.798 123.114 120.300 0.026 0.000 2.309 503 Y HA 0.257 4.802 4.550 -0.009 0.000 0.327 503 Y C 0.876 176.820 175.900 0.073 0.000 1.172 503 Y CA -0.573 57.552 58.100 0.042 0.000 1.280 503 Y CB 0.570 39.073 38.460 0.072 0.000 1.234 503 Y HN 0.684 nan 8.280 nan 0.000 0.512 504 D N -0.742 119.786 120.400 0.215 0.000 2.446 504 D HA 0.070 4.705 4.640 -0.009 0.000 0.288 504 D C 1.209 177.568 176.300 0.097 0.000 1.195 504 D CA 0.183 54.266 54.000 0.140 0.000 1.095 504 D CB -0.464 40.392 40.800 0.092 0.000 1.153 504 D HN 0.397 nan 8.370 nan 0.000 0.568 505 S N -0.998 114.732 115.700 0.050 0.000 2.383 505 S HA -0.142 4.323 4.470 -0.009 0.000 0.227 505 S C 1.826 176.420 174.600 -0.011 0.000 1.026 505 S CA 0.387 58.587 58.200 0.000 0.000 0.981 505 S CB -0.368 62.831 63.200 -0.002 0.000 0.818 505 S HN 0.287 nan 8.310 nan 0.000 0.472 506 R N 1.221 121.730 120.500 0.015 0.000 2.103 506 R HA 0.045 4.379 4.340 -0.009 0.000 0.242 506 R C 0.232 176.518 176.300 -0.023 0.000 1.142 506 R CA 0.765 56.868 56.100 0.005 0.000 0.960 506 R CB -0.845 29.476 30.300 0.034 0.000 0.858 506 R HN 0.385 nan 8.270 nan 0.000 0.439 507 R N 0.919 121.415 120.500 -0.007 0.000 3.261 507 R HA -0.142 4.193 4.340 -0.009 0.000 0.257 507 R C -0.908 175.328 176.300 -0.106 0.000 1.014 507 R CA 0.611 56.636 56.100 -0.125 0.000 0.681 507 R CB -2.316 27.847 30.300 -0.228 0.000 1.155 507 R HN 0.504 nan 8.270 nan 0.000 0.424 508 E N -0.373 119.889 120.200 0.103 0.000 2.314 508 E HA 0.290 4.635 4.350 -0.009 0.000 0.272 508 E C -2.082 174.695 176.600 0.294 0.000 0.884 508 E CA -2.151 54.342 56.400 0.155 0.000 0.753 508 E CB 1.918 31.681 29.700 0.105 0.000 1.213 508 E HN -0.228 nan 8.360 nan 0.000 0.432 509 P HA -0.017 nan 4.420 nan 0.000 0.239 509 P C 0.828 178.207 177.300 0.130 0.000 1.184 509 P CA 0.564 63.819 63.100 0.258 0.000 0.760 509 P CB 0.256 32.163 31.700 0.345 0.000 0.884 510 G N -0.313 108.565 108.800 0.130 0.000 2.595 510 G HA2 -0.081 3.874 3.960 -0.009 0.000 0.213 510 G HA3 -0.081 3.874 3.960 -0.009 0.000 0.213 510 G C 1.092 176.025 174.900 0.055 0.000 1.141 510 G CA 0.385 45.536 45.100 0.085 0.000 0.806 510 G HN 0.379 nan 8.290 nan 0.000 0.530 511 S N -0.515 115.226 115.700 0.069 0.000 2.601 511 S HA 0.730 5.195 4.470 -0.009 0.000 0.244 511 S C 0.556 175.181 174.600 0.043 0.000 1.001 511 S CA 0.177 58.409 58.200 0.053 0.000 0.984 511 S CB 0.616 63.854 63.200 0.063 0.000 0.842 511 S HN 0.487 nan 8.310 nan 0.000 0.474 512 A N 1.750 124.572 122.820 0.003 0.000 2.288 512 A HA 0.941 5.256 4.320 -0.009 0.000 0.328 512 A C -0.213 177.267 177.584 -0.174 0.000 1.123 512 A CA -1.133 50.845 52.037 -0.098 0.000 0.861 512 A CB 0.757 19.616 19.000 -0.236 0.000 1.272 512 A HN 0.837 nan 8.150 nan 0.000 0.490 513 I N -3.445 116.985 120.570 -0.233 0.000 3.095 513 I HA 0.643 4.808 4.170 -0.009 0.000 0.310 513 I C -1.425 174.516 176.117 -0.293 0.000 1.196 513 I CA -0.844 60.337 61.300 -0.197 0.000 0.985 513 I CB 2.077 40.038 38.000 -0.065 0.000 1.250 513 I HN 0.464 nan 8.210 nan 0.000 0.446 514 F N 3.279 123.180 119.950 -0.082 0.000 2.405 514 F HA 0.602 5.124 4.527 -0.008 0.000 0.355 514 F C 0.343 176.110 175.800 -0.054 0.000 1.121 514 F CA -0.605 57.351 58.000 -0.073 0.000 1.112 514 F CB 1.880 40.839 39.000 -0.067 0.000 1.126 514 F HN 0.366 nan 8.300 nan 0.000 0.481 515 V N 0.954 120.953 119.914 0.142 0.000 3.019 515 V HA 0.887 5.002 4.120 -0.009 0.000 0.317 515 V C 0.257 176.399 176.094 0.080 0.000 1.094 515 V CA -1.072 61.276 62.300 0.080 0.000 1.000 515 V CB 1.150 33.005 31.823 0.053 0.000 1.060 515 V HN 0.777 nan 8.190 nan 0.000 0.443 516 G N 0.873 109.700 108.800 0.045 0.000 2.544 516 G HA2 0.174 4.129 3.960 -0.009 0.000 0.242 516 G HA3 0.174 4.129 3.960 -0.009 0.000 0.242 516 G C -0.032 174.959 174.900 0.151 0.000 1.247 516 G CA -0.269 44.858 45.100 0.045 0.000 0.840 516 G HN 0.929 nan 8.290 nan 0.000 0.578 517 N N 1.328 120.133 118.700 0.174 0.000 2.401 517 N HA 0.026 4.761 4.740 -0.009 0.000 0.255 517 N C 1.236 176.905 175.510 0.265 0.000 1.110 517 N CA -0.666 52.488 53.050 0.175 0.000 0.949 517 N CB 0.965 39.525 38.487 0.121 0.000 1.110 517 N HN 0.234 nan 8.380 nan 0.000 0.490 518 I N 4.355 125.041 120.570 0.193 0.000 2.361 518 I HA -0.168 3.996 4.170 -0.009 0.000 0.251 518 I C 1.718 177.891 176.117 0.094 0.000 1.133 518 I CA 1.108 62.495 61.300 0.145 0.000 1.413 518 I CB -0.502 37.576 38.000 0.130 0.000 1.073 518 I HN 0.644 nan 8.210 nan 0.000 0.424 519 N N -0.915 117.844 118.700 0.099 0.000 2.309 519 N HA -0.129 4.605 4.740 -0.009 0.000 0.182 519 N C 1.853 177.407 175.510 0.072 0.000 1.018 519 N CA 1.117 54.216 53.050 0.082 0.000 0.876 519 N CB 0.076 38.522 38.487 -0.068 0.000 0.972 519 N HN 0.209 nan 8.380 nan 0.000 0.434 520 S N -0.131 115.624 115.700 0.092 0.000 2.428 520 S HA -0.026 4.439 4.470 -0.009 0.000 0.230 520 S C 1.715 176.342 174.600 0.045 0.000 1.014 520 S CA 0.418 58.693 58.200 0.125 0.000 0.957 520 S CB -0.090 63.242 63.200 0.219 0.000 0.784 520 S HN 0.399 nan 8.310 nan 0.000 0.499 521 M N 1.040 120.486 119.600 -0.257 0.000 2.099 521 M HA -0.052 4.423 4.480 -0.009 0.000 0.262 521 M C 1.582 177.738 176.300 -0.240 0.000 1.067 521 M CA 1.509 56.427 55.300 -0.636 0.000 1.124 521 M CB -0.273 31.646 32.600 -1.135 0.000 1.353 521 M HN 0.262 nan 8.290 nan 0.000 0.410 522 L N 0.487 121.656 121.223 -0.089 0.000 2.265 522 L HA -0.245 4.090 4.340 -0.009 0.000 0.215 522 L C 1.917 178.848 176.870 0.102 0.000 1.117 522 L CA 0.722 55.599 54.840 0.061 0.000 0.782 522 L CB -0.904 41.284 42.059 0.215 0.000 0.914 522 L HN 0.383 nan 8.230 nan 0.000 0.441 523 N N -0.230 118.518 118.700 0.080 0.000 2.173 523 N HA -0.108 4.627 4.740 -0.009 0.000 0.184 523 N C 1.577 177.140 175.510 0.088 0.000 1.025 523 N CA 0.924 54.039 53.050 0.108 0.000 0.852 523 N CB -0.403 38.139 38.487 0.093 0.000 0.998 523 N HN 0.221 nan 8.380 nan 0.000 0.427 524 N N 1.075 119.813 118.700 0.064 0.000 2.453 524 N HA -0.065 4.669 4.740 -0.009 0.000 0.183 524 N C 1.261 176.809 175.510 0.063 0.000 1.041 524 N CA 0.691 53.791 53.050 0.084 0.000 0.900 524 N CB 0.094 38.663 38.487 0.136 0.000 0.961 524 N HN 0.490 nan 8.380 nan 0.000 0.443 525 Q N -1.921 117.843 119.800 -0.059 0.000 2.402 525 Q HA 0.225 4.560 4.340 -0.009 0.000 0.231 525 Q C 0.512 176.453 176.000 -0.100 0.000 0.888 525 Q CA 0.346 56.051 55.803 -0.163 0.000 0.938 525 Q CB 0.523 28.927 28.738 -0.555 0.000 1.086 525 Q HN 0.358 nan 8.270 nan 0.000 0.543 526 F N -1.443 118.769 119.950 0.436 0.000 2.767 526 F HA 0.284 4.806 4.527 -0.009 0.000 0.323 526 F C 0.692 176.759 175.800 0.444 0.000 1.091 526 F CA -0.299 58.048 58.000 0.577 0.000 1.192 526 F CB 1.383 40.720 39.000 0.560 0.000 1.056 526 F HN -0.266 nan 8.300 nan 0.000 0.571 527 S N 1.665 117.593 115.700 0.381 0.000 2.474 527 S HA 0.225 4.689 4.470 -0.009 0.000 0.224 527 S C -2.487 172.204 174.600 0.151 0.000 1.209 527 S CA -0.959 57.411 58.200 0.283 0.000 1.212 527 S CB 0.118 63.478 63.200 0.266 0.000 1.137 527 S HN -0.111 nan 8.310 nan 0.000 0.446 528 P HA 0.070 nan 4.420 nan 0.000 0.269 528 P C 0.643 177.932 177.300 -0.018 0.000 1.217 528 P CA -0.041 63.074 63.100 0.026 0.000 0.783 528 P CB 1.042 32.715 31.700 -0.046 0.000 0.898 529 E N 0.273 120.430 120.200 -0.071 0.000 2.170 529 E HA -0.068 4.276 4.350 -0.009 0.000 0.191 529 E C -0.118 176.203 176.600 -0.465 0.000 0.981 529 E CA 0.904 57.137 56.400 -0.279 0.000 0.830 529 E CB 0.134 29.618 29.700 -0.360 0.000 0.775 529 E HN 0.482 nan 8.360 nan 0.000 0.470 530 Y N -1.160 119.121 120.300 -0.032 0.000 2.570 530 Y HA 0.495 5.040 4.550 -0.009 0.000 0.345 530 Y C 0.770 176.628 175.900 -0.069 0.000 1.014 530 Y CA -0.849 57.221 58.100 -0.050 0.000 1.063 530 Y CB 1.432 39.863 38.460 -0.047 0.000 1.272 530 Y HN -0.149 nan 8.280 nan 0.000 0.477 531 G N -0.081 108.778 108.800 0.097 0.000 2.621 531 G HA2 0.330 4.285 3.960 -0.009 0.000 0.271 531 G HA3 0.330 4.285 3.960 -0.009 0.000 0.271 531 G C 0.766 175.664 174.900 -0.003 0.000 1.236 531 G CA -0.183 44.923 45.100 0.010 0.000 0.958 531 G HN 0.725 nan 8.290 nan 0.000 0.512 532 V N -2.745 117.151 119.914 -0.030 0.000 3.380 532 V HA 0.049 4.164 4.120 -0.009 0.000 0.268 532 V C 1.007 177.069 176.094 -0.054 0.000 1.168 532 V CA 1.294 63.571 62.300 -0.037 0.000 1.156 532 V CB -1.341 30.475 31.823 -0.012 0.000 0.785 532 V HN 0.785 nan 8.190 nan 0.000 0.487 533 Q N 0.870 120.643 119.800 -0.045 0.000 2.451 533 Q HA -0.246 4.088 4.340 -0.009 0.000 0.305 533 Q C 1.322 177.290 176.000 -0.054 0.000 1.345 533 Q CA 0.760 56.530 55.803 -0.054 0.000 0.854 533 Q CB -2.283 26.407 28.738 -0.080 0.000 1.162 533 Q HN 0.973 nan 8.270 nan 0.000 0.440 534 S N -1.864 113.813 115.700 -0.038 0.000 2.584 534 S HA -0.021 4.444 4.470 -0.009 0.000 0.240 534 S C 1.562 176.145 174.600 -0.029 0.000 0.975 534 S CA 0.660 58.841 58.200 -0.033 0.000 0.949 534 S CB 0.106 63.296 63.200 -0.017 0.000 0.761 534 S HN 0.628 nan 8.310 nan 0.000 0.536 535 G N 0.566 109.347 108.800 -0.031 0.000 2.777 535 G HA2 0.273 4.228 3.960 -0.009 0.000 0.211 535 G HA3 0.273 4.228 3.960 -0.009 0.000 0.211 535 G C 0.187 175.068 174.900 -0.032 0.000 1.149 535 G CA -0.139 44.944 45.100 -0.027 0.000 0.785 535 G HN 0.452 nan 8.290 nan 0.000 0.536 536 V N 2.248 122.135 119.914 -0.045 0.000 2.348 536 V HA 0.246 4.361 4.120 -0.009 0.000 0.270 536 V C 1.247 177.317 176.094 -0.039 0.000 1.037 536 V CA -0.881 61.390 62.300 -0.049 0.000 0.872 536 V CB 1.258 33.037 31.823 -0.073 0.000 1.002 536 V HN 0.171 nan 8.190 nan 0.000 0.464 537 R N 2.109 122.598 120.500 -0.018 0.000 2.088 537 R HA -0.087 4.248 4.340 -0.009 0.000 0.232 537 R C 0.850 177.173 176.300 0.038 0.000 1.136 537 R CA 1.075 57.180 56.100 0.008 0.000 0.926 537 R CB -0.305 30.001 30.300 0.010 0.000 0.837 537 R HN 0.736 nan 8.270 nan 0.000 0.429 538 D N 1.286 121.708 120.400 0.038 0.000 2.346 538 D HA -0.003 4.631 4.640 -0.009 0.000 0.267 538 D C 0.739 177.027 176.300 -0.019 0.000 1.320 538 D CA 0.204 54.262 54.000 0.097 0.000 0.951 538 D CB 0.420 41.260 40.800 0.066 0.000 1.079 538 D HN 0.021 nan 8.370 nan 0.000 0.509 539 R N 1.309 121.741 120.500 -0.112 0.000 2.237 539 R HA -0.091 4.244 4.340 -0.009 0.000 0.219 539 R C 2.013 178.034 176.300 -0.465 0.000 1.080 539 R CA 1.107 56.938 56.100 -0.448 0.000 0.995 539 R CB 0.040 29.825 30.300 -0.859 0.000 0.875 539 R HN 0.396 nan 8.270 nan 0.000 0.462 540 S N 0.289 115.808 115.700 -0.301 0.000 2.522 540 S HA -0.007 4.458 4.470 -0.009 0.000 0.227 540 S C 1.457 175.978 174.600 -0.133 0.000 0.986 540 S CA 0.518 58.607 58.200 -0.185 0.000 0.929 540 S CB 0.151 63.331 63.200 -0.033 0.000 0.769 540 S HN 0.248 nan 8.310 nan 0.000 0.529 541 K N 0.601 120.923 120.400 -0.129 0.000 2.356 541 K HA 0.203 4.518 4.320 -0.009 0.000 0.195 541 K C 0.621 177.129 176.600 -0.152 0.000 1.037 541 K CA -0.058 56.160 56.287 -0.116 0.000 1.014 541 K CB 0.208 32.657 32.500 -0.084 0.000 0.815 541 K HN 0.317 nan 8.250 nan 0.000 0.507 542 R N 1.199 121.586 120.500 -0.188 0.000 2.738 542 R HA 0.068 4.402 4.340 -0.009 0.000 0.268 542 R C 1.081 177.246 176.300 -0.225 0.000 1.062 542 R CA -0.163 55.814 56.100 -0.206 0.000 1.158 542 R CB 0.372 30.537 30.300 -0.224 0.000 1.046 542 R HN -0.144 nan 8.270 nan 0.000 0.493 543 K N 1.783 122.020 120.400 -0.273 0.000 2.288 543 K HA -0.068 4.247 4.320 -0.009 0.000 0.201 543 K C 0.237 176.738 176.600 -0.165 0.000 1.048 543 K CA 1.239 57.324 56.287 -0.337 0.000 0.956 543 K CB 0.162 32.188 32.500 -0.790 0.000 0.746 543 K HN 0.459 nan 8.250 nan 0.000 0.461 544 R N 0.244 120.663 120.500 -0.135 0.000 2.547 544 R HA 0.204 4.539 4.340 -0.009 0.000 0.280 544 R C -2.347 173.847 176.300 -0.177 0.000 1.630 544 R CA -1.434 54.617 56.100 -0.082 0.000 1.470 544 R CB 1.041 31.332 30.300 -0.014 0.000 1.178 544 R HN -0.164 nan 8.270 nan 0.000 0.591 545 P HA -0.150 nan 4.420 nan 0.000 0.214 545 P C -0.323 176.428 177.300 -0.915 0.000 1.163 545 P CA 1.326 64.041 63.100 -0.643 0.000 0.889 545 P CB 0.219 31.592 31.700 -0.544 0.000 0.790 546 F N -3.284 116.622 119.950 -0.073 0.000 2.686 546 F HA 0.354 4.876 4.527 -0.009 0.000 0.365 546 F C -1.956 173.846 175.800 0.004 0.000 1.196 546 F CA -2.043 55.928 58.000 -0.048 0.000 1.198 546 F CB 1.171 40.132 39.000 -0.065 0.000 1.454 546 F HN -0.103 nan 8.300 nan 0.000 0.539 547 P HA -0.104 nan 4.420 nan 0.000 0.218 547 P C 1.857 179.263 177.300 0.177 0.000 1.149 547 P CA 1.284 64.484 63.100 0.167 0.000 0.817 547 P CB 0.327 32.141 31.700 0.190 0.000 0.785 548 G N -0.379 108.485 108.800 0.107 0.000 2.448 548 G HA2 -0.166 3.789 3.960 -0.009 0.000 0.218 548 G HA3 -0.166 3.789 3.960 -0.009 0.000 0.218 548 G C 1.412 176.358 174.900 0.078 0.000 1.135 548 G CA 0.212 45.321 45.100 0.016 0.000 0.784 548 G HN 0.229 nan 8.290 nan 0.000 0.543 549 L N 0.687 121.977 121.223 0.111 0.000 2.191 549 L HA -0.071 4.264 4.340 -0.009 0.000 0.212 549 L C 3.267 180.222 176.870 0.141 0.000 1.103 549 L CA 0.812 55.715 54.840 0.104 0.000 0.769 549 L CB -0.441 41.665 42.059 0.077 0.000 0.908 549 L HN 0.294 nan 8.230 nan 0.000 0.438 550 A N -0.519 122.406 122.820 0.174 0.000 2.131 550 A HA -0.254 4.061 4.320 -0.009 0.000 0.220 550 A C 2.133 179.848 177.584 0.219 0.000 1.158 550 A CA 1.097 53.248 52.037 0.191 0.000 0.665 550 A CB -0.822 18.309 19.000 0.219 0.000 0.795 550 A HN 0.697 nan 8.150 nan 0.000 0.460 551 W N 0.415 121.731 121.300 0.028 0.000 2.409 551 W HA -0.107 4.548 4.660 -0.009 0.000 0.299 551 W C 2.321 178.857 176.519 0.028 0.000 1.203 551 W CA 1.444 58.795 57.345 0.011 0.000 1.298 551 W CB -0.312 29.105 29.460 -0.071 0.000 1.127 551 W HN 0.443 nan 8.180 nan 0.000 0.528 552 A N 1.005 123.926 122.820 0.168 0.000 1.859 552 A HA -0.297 4.018 4.320 -0.009 0.000 0.217 552 A C 1.934 179.511 177.584 -0.012 0.000 1.198 552 A CA 2.957 55.030 52.037 0.060 0.000 0.629 552 A CB -1.453 17.579 19.000 0.054 0.000 0.830 552 A HN 0.340 nan 8.150 nan 0.000 0.446 553 S N -1.047 114.658 115.700 0.008 0.000 2.701 553 S HA 0.103 4.567 4.470 -0.009 0.000 0.220 553 S C 1.581 176.176 174.600 -0.009 0.000 0.954 553 S CA 0.866 59.056 58.200 -0.017 0.000 0.936 553 S CB -0.476 62.717 63.200 -0.011 0.000 0.777 553 S HN 0.613 nan 8.310 nan 0.000 0.518 554 M N 1.702 121.292 119.600 -0.016 0.000 2.081 554 M HA -0.014 4.461 4.480 -0.009 0.000 0.261 554 M C 2.194 178.539 176.300 0.075 0.000 1.075 554 M CA 2.025 57.365 55.300 0.066 0.000 1.133 554 M CB -0.305 32.219 32.600 -0.126 0.000 1.330 554 M HN 0.306 nan 8.290 nan 0.000 0.414 555 K N 0.674 121.046 120.400 -0.046 0.000 2.044 555 K HA -0.274 4.040 4.320 -0.009 0.000 0.210 555 K C 1.821 178.296 176.600 -0.209 0.000 1.049 555 K CA 2.433 58.641 56.287 -0.132 0.000 0.927 555 K CB -0.802 31.641 32.500 -0.095 0.000 0.713 555 K HN 0.531 nan 8.250 nan 0.000 0.443 556 D N -0.955 119.363 120.400 -0.136 0.000 2.221 556 D HA -0.126 4.509 4.640 -0.009 0.000 0.204 556 D C 1.100 177.303 176.300 -0.162 0.000 0.982 556 D CA 1.339 55.256 54.000 -0.138 0.000 0.857 556 D CB 0.219 40.954 40.800 -0.108 0.000 0.934 556 D HN 0.370 nan 8.370 nan 0.000 0.475 557 T N -1.425 113.019 114.554 -0.184 0.000 2.898 557 T HA -0.008 4.337 4.350 -0.009 0.000 0.241 557 T C 1.429 175.915 174.700 -0.357 0.000 1.024 557 T CA 0.452 62.357 62.100 -0.324 0.000 1.174 557 T CB -0.194 68.354 68.868 -0.533 0.000 0.873 557 T HN 0.150 nan 8.240 nan 0.000 0.422 558 Y N 0.862 121.125 120.300 -0.061 0.000 2.510 558 Y HA 0.303 4.847 4.550 -0.009 0.000 0.273 558 Y C 2.534 178.320 175.900 -0.190 0.000 1.119 558 Y CA -0.102 57.987 58.100 -0.019 0.000 1.286 558 Y CB -0.463 38.082 38.460 0.141 0.000 1.061 558 Y HN 0.274 nan 8.280 nan 0.000 0.542 559 G N 0.490 109.026 108.800 -0.440 0.000 2.485 559 G HA2 -0.298 3.657 3.960 -0.009 0.000 0.221 559 G HA3 -0.298 3.657 3.960 -0.009 0.000 0.221 559 G C 1.812 176.464 174.900 -0.414 0.000 1.115 559 G CA 1.016 45.525 45.100 -0.984 0.000 0.751 559 G HN 0.460 nan 8.290 nan 0.000 0.567 560 A N -0.684 122.020 122.820 -0.192 0.000 2.066 560 A HA 0.117 4.432 4.320 -0.009 0.000 0.218 560 A C 1.598 179.180 177.584 -0.004 0.000 1.157 560 A CA 0.540 52.530 52.037 -0.079 0.000 0.670 560 A CB -0.706 18.263 19.000 -0.051 0.000 0.804 560 A HN 0.441 nan 8.150 nan 0.000 0.453 561 C N 0.755 120.080 119.300 0.041 0.000 2.611 561 C HA 0.202 4.657 4.460 -0.009 0.000 0.416 561 C C -0.420 174.638 174.990 0.113 0.000 1.366 561 C CA -0.922 58.159 59.018 0.105 0.000 1.761 561 C CB 0.262 28.110 27.740 0.180 0.000 2.619 561 C HN 0.446 nan 8.230 nan 0.000 0.606 562 P HA -0.160 nan 4.420 nan 0.000 0.215 562 P C 0.841 178.222 177.300 0.135 0.000 1.163 562 P CA 2.013 65.178 63.100 0.109 0.000 0.894 562 P CB -0.119 31.645 31.700 0.106 0.000 0.791 563 I N -5.602 115.035 120.570 0.111 0.000 3.858 563 I HA 0.175 4.340 4.170 -0.009 0.000 0.325 563 I C 1.890 178.030 176.117 0.038 0.000 1.403 563 I CA -0.355 60.982 61.300 0.062 0.000 1.169 563 I CB -0.812 37.122 38.000 -0.111 0.000 1.077 563 I HN -0.155 nan 8.210 nan 0.000 0.403 564 Y N 2.440 122.736 120.300 -0.007 0.000 1.993 564 Y HA -0.399 4.145 4.550 -0.009 0.000 0.267 564 Y C 2.673 178.571 175.900 -0.002 0.000 1.155 564 Y CA 2.665 60.763 58.100 -0.004 0.000 1.105 564 Y CB -0.458 38.016 38.460 0.025 0.000 0.960 564 Y HN 0.367 nan 8.280 nan 0.000 0.486 565 S N 0.636 116.406 115.700 0.117 0.000 2.407 565 S HA -0.363 4.101 4.470 -0.009 0.000 0.244 565 S C 1.426 176.011 174.600 -0.025 0.000 1.077 565 S CA 1.996 60.215 58.200 0.031 0.000 1.159 565 S CB -0.999 62.278 63.200 0.129 0.000 1.045 565 S HN 0.640 nan 8.310 nan 0.000 0.438 566 D N 0.904 121.321 120.400 0.029 0.000 2.084 566 D HA -0.050 4.585 4.640 -0.009 0.000 0.194 566 D C 2.022 178.308 176.300 -0.023 0.000 0.990 566 D CA 0.998 55.041 54.000 0.071 0.000 0.826 566 D CB -0.649 40.290 40.800 0.232 0.000 0.971 566 D HN 0.244 nan 8.370 nan 0.000 0.453 567 V N 0.719 120.533 119.914 -0.166 0.000 2.407 567 V HA -0.198 3.917 4.120 -0.009 0.000 0.248 567 V C 2.429 178.456 176.094 -0.112 0.000 1.055 567 V CA 1.119 63.302 62.300 -0.194 0.000 1.049 567 V CB -0.466 31.196 31.823 -0.268 0.000 0.662 567 V HN 0.254 nan 8.190 nan 0.000 0.455 568 L N -0.473 120.647 121.223 -0.172 0.000 2.046 568 L HA -0.216 4.118 4.340 -0.009 0.000 0.208 568 L C 2.586 179.479 176.870 0.038 0.000 1.077 568 L CA 1.787 56.573 54.840 -0.090 0.000 0.747 568 L CB -0.508 41.414 42.059 -0.228 0.000 0.896 568 L HN 0.392 nan 8.230 nan 0.000 0.432 569 E N -0.100 120.113 120.200 0.021 0.000 2.047 569 E HA -0.215 4.130 4.350 -0.009 0.000 0.191 569 E C 2.297 178.932 176.600 0.059 0.000 0.987 569 E CA 1.130 57.566 56.400 0.059 0.000 0.799 569 E CB -0.182 29.549 29.700 0.052 0.000 0.752 569 E HN 0.479 nan 8.360 nan 0.000 0.449 570 A N 1.246 124.093 122.820 0.045 0.000 1.903 570 A HA -0.252 4.063 4.320 -0.009 0.000 0.219 570 A C 2.193 179.797 177.584 0.033 0.000 1.191 570 A CA 1.504 53.548 52.037 0.011 0.000 0.638 570 A CB -0.794 18.260 19.000 0.091 0.000 0.823 570 A HN 0.189 nan 8.150 nan 0.000 0.451 571 I N -1.036 119.593 120.570 0.097 0.000 2.142 571 I HA -0.267 3.898 4.170 -0.009 0.000 0.240 571 I C 2.610 178.918 176.117 0.318 0.000 1.078 571 I CA 1.926 63.359 61.300 0.221 0.000 1.343 571 I CB -0.344 37.773 38.000 0.195 0.000 1.046 571 I HN 0.458 nan 8.210 nan 0.000 0.405 572 E N 1.154 121.512 120.200 0.262 0.000 2.085 572 E HA -0.275 4.070 4.350 -0.009 0.000 0.194 572 E C 2.270 179.093 176.600 0.372 0.000 0.994 572 E CA 1.588 58.187 56.400 0.331 0.000 0.801 572 E CB -0.146 29.704 29.700 0.251 0.000 0.743 572 E HN 0.205 nan 8.360 nan 0.000 0.453 573 R N -0.763 119.874 120.500 0.230 0.000 2.062 573 R HA -0.060 4.274 4.340 -0.009 0.000 0.229 573 R C 2.344 178.794 176.300 0.249 0.000 1.128 573 R CA 1.488 57.696 56.100 0.179 0.000 0.960 573 R CB -0.706 29.598 30.300 0.006 0.000 0.855 573 R HN 0.324 nan 8.270 nan 0.000 0.432 574 C N 0.014 119.436 119.300 0.204 0.000 2.419 574 C HA -0.113 4.342 4.460 -0.009 0.000 0.281 574 C C 2.308 177.596 174.990 0.496 0.000 1.336 574 C CA 0.199 59.349 59.018 0.220 0.000 1.770 574 C CB -1.237 26.527 27.740 0.040 0.000 1.929 574 C HN 0.676 nan 8.230 nan 0.000 0.509 575 W N -0.741 120.800 121.300 0.401 0.000 2.407 575 W HA -0.099 4.556 4.660 -0.009 0.000 0.305 575 W C 2.415 179.108 176.519 0.291 0.000 1.196 575 W CA 0.999 58.507 57.345 0.270 0.000 1.311 575 W CB -0.876 28.647 29.460 0.104 0.000 1.135 575 W HN 0.474 nan 8.180 nan 0.000 0.514 576 W N 2.055 123.561 121.300 0.343 0.000 2.315 576 W HA -0.295 4.359 4.660 -0.009 0.000 0.323 576 W C 2.386 178.937 176.519 0.053 0.000 1.233 576 W CA 2.462 59.921 57.345 0.190 0.000 1.267 576 W CB -0.955 28.601 29.460 0.161 0.000 1.160 576 W HN -0.189 nan 8.180 nan 0.000 0.474 577 N N -0.127 118.812 118.700 0.398 0.000 2.144 577 N HA -0.254 4.481 4.740 -0.009 0.000 0.195 577 N C 1.390 176.873 175.510 -0.044 0.000 1.006 577 N CA 2.312 55.476 53.050 0.189 0.000 0.880 577 N CB -0.799 37.755 38.487 0.112 0.000 1.018 577 N HN 0.302 nan 8.380 nan 0.000 0.443 578 A N -1.716 120.997 122.820 -0.178 0.000 2.115 578 A HA 0.251 4.566 4.320 -0.009 0.000 0.211 578 A C 1.405 178.481 177.584 -0.848 0.000 1.169 578 A CA 0.176 51.915 52.037 -0.497 0.000 0.787 578 A CB 0.124 18.789 19.000 -0.557 0.000 0.858 578 A HN 0.210 nan 8.150 nan 0.000 0.474 579 F N -1.532 118.122 119.950 -0.493 0.000 2.747 579 F HA 0.377 4.899 4.527 -0.009 0.000 0.305 579 F C 1.570 177.076 175.800 -0.490 0.000 1.065 579 F CA 0.528 58.211 58.000 -0.529 0.000 1.230 579 F CB 0.670 39.214 39.000 -0.760 0.000 1.027 579 F HN 0.274 nan 8.300 nan 0.000 0.607 580 G N 1.883 110.370 108.800 -0.521 0.000 2.291 580 G HA2 -0.198 3.757 3.960 -0.009 0.000 0.271 580 G HA3 -0.198 3.757 3.960 -0.009 0.000 0.271 580 G C -0.369 174.071 174.900 -0.766 0.000 1.099 580 G CA 0.070 44.608 45.100 -0.936 0.000 0.919 580 G HN 0.367 nan 8.290 nan 0.000 0.496 581 E N -1.108 118.707 120.200 -0.641 0.000 2.430 581 E HA 0.526 4.871 4.350 -0.009 0.000 0.279 581 E C -0.692 176.050 176.600 0.237 0.000 1.003 581 E CA -0.644 55.672 56.400 -0.140 0.000 0.801 581 E CB 1.589 31.328 29.700 0.065 0.000 1.313 581 E HN 0.370 nan 8.360 nan 0.000 0.459 582 S N 0.840 116.725 115.700 0.308 0.000 2.430 582 S HA 0.117 4.582 4.470 -0.009 0.000 0.289 582 S C 0.523 175.214 174.600 0.152 0.000 1.143 582 S CA -0.311 58.097 58.200 0.346 0.000 1.067 582 S CB 0.075 63.417 63.200 0.238 0.000 0.964 582 S HN 0.695 nan 8.310 nan 0.000 0.485 583 Y N 5.590 125.826 120.300 -0.107 0.000 2.053 583 Y HA -0.254 4.291 4.550 -0.009 0.000 0.277 583 Y C 2.570 178.225 175.900 -0.409 0.000 1.159 583 Y CA 2.263 59.955 58.100 -0.680 0.000 1.125 583 Y CB -0.228 37.811 38.460 -0.702 0.000 0.969 583 Y HN 0.777 nan 8.280 nan 0.000 0.492 584 R N 0.277 120.678 120.500 -0.165 0.000 2.133 584 R HA -0.330 4.005 4.340 -0.009 0.000 0.245 584 R C 2.328 178.375 176.300 -0.423 0.000 1.137 584 R CA 1.818 57.779 56.100 -0.231 0.000 0.947 584 R CB -0.792 29.575 30.300 0.111 0.000 0.865 584 R HN 0.535 nan 8.270 nan 0.000 0.437 585 A N 0.098 122.789 122.820 -0.215 0.000 1.851 585 A HA -0.266 4.049 4.320 -0.009 0.000 0.216 585 A C 1.992 179.386 177.584 -0.316 0.000 1.195 585 A CA 1.679 53.601 52.037 -0.191 0.000 0.622 585 A CB -1.236 17.733 19.000 -0.051 0.000 0.831 585 A HN 0.624 nan 8.150 nan 0.000 0.444 586 Y N 0.769 120.793 120.300 -0.459 0.000 1.997 586 Y HA -0.338 4.207 4.550 -0.009 0.000 0.265 586 Y C 2.487 177.951 175.900 -0.727 0.000 1.193 586 Y CA 2.695 60.471 58.100 -0.539 0.000 1.106 586 Y CB -0.264 37.825 38.460 -0.619 0.000 0.940 586 Y HN 0.216 nan 8.280 nan 0.000 0.494 587 R N 0.566 120.379 120.500 -1.144 0.000 2.152 587 R HA -0.134 4.201 4.340 -0.009 0.000 0.232 587 R C 2.197 177.806 176.300 -1.151 0.000 1.117 587 R CA 1.521 56.766 56.100 -1.425 0.000 0.981 587 R CB -0.658 28.261 30.300 -2.302 0.000 0.870 587 R HN 0.600 nan 8.270 nan 0.000 0.451 588 E N 0.305 119.959 120.200 -0.911 0.000 2.076 588 E HA -0.106 4.239 4.350 -0.009 0.000 0.190 588 E C 1.278 177.665 176.600 -0.355 0.000 0.979 588 E CA 0.834 56.920 56.400 -0.524 0.000 0.807 588 E CB 0.138 29.645 29.700 -0.322 0.000 0.761 588 E HN 0.216 nan 8.360 nan 0.000 0.454 589 D N 0.439 120.619 120.400 -0.366 0.000 2.097 589 D HA -0.201 4.434 4.640 -0.009 0.000 0.195 589 D C 1.888 178.004 176.300 -0.306 0.000 0.989 589 D CA 1.005 54.838 54.000 -0.279 0.000 0.827 589 D CB -0.243 40.403 40.800 -0.257 0.000 0.966 589 D HN 0.178 nan 8.370 nan 0.000 0.456 590 M N 0.421 119.743 119.600 -0.464 0.000 2.267 590 M HA -0.143 4.332 4.480 -0.009 0.000 0.263 590 M C 2.087 178.238 176.300 -0.249 0.000 1.063 590 M CA 0.868 55.921 55.300 -0.411 0.000 1.090 590 M CB 0.086 32.315 32.600 -0.618 0.000 1.392 590 M HN 0.027 nan 8.290 nan 0.000 0.422 591 L N 0.181 121.254 121.223 -0.250 0.000 1.988 591 L HA -0.272 4.063 4.340 -0.009 0.000 0.207 591 L C 2.280 179.101 176.870 -0.081 0.000 1.071 591 L CA 1.698 56.468 54.840 -0.118 0.000 0.744 591 L CB -0.358 41.654 42.059 -0.078 0.000 0.893 591 L HN 0.248 nan 8.230 nan 0.000 0.433 592 K N -0.526 119.817 120.400 -0.095 0.000 2.044 592 K HA -0.262 4.053 4.320 -0.009 0.000 0.210 592 K C 2.129 178.696 176.600 -0.054 0.000 1.049 592 K CA 1.860 58.107 56.287 -0.066 0.000 0.927 592 K CB -0.183 32.275 32.500 -0.069 0.000 0.713 592 K HN 0.261 nan 8.250 nan 0.000 0.443 593 R N 0.769 121.229 120.500 -0.067 0.000 2.080 593 R HA -0.140 4.194 4.340 -0.009 0.000 0.236 593 R C 1.930 178.235 176.300 0.009 0.000 1.137 593 R CA 1.925 58.003 56.100 -0.037 0.000 0.943 593 R CB -0.209 30.055 30.300 -0.059 0.000 0.846 593 R HN 0.212 nan 8.270 nan 0.000 0.431 594 D N -0.730 119.683 120.400 0.021 0.000 2.224 594 D HA -0.071 4.564 4.640 -0.009 0.000 0.205 594 D C 1.637 177.932 176.300 -0.009 0.000 0.965 594 D CA 1.108 55.169 54.000 0.102 0.000 0.852 594 D CB -0.147 40.754 40.800 0.169 0.000 0.947 594 D HN 0.193 nan 8.370 nan 0.000 0.494 595 T N 0.952 115.481 114.554 -0.041 0.000 2.833 595 T HA -0.036 4.308 4.350 -0.009 0.000 0.269 595 T C 2.106 176.766 174.700 -0.068 0.000 1.054 595 T CA 0.543 62.596 62.100 -0.079 0.000 1.135 595 T CB 0.037 68.873 68.868 -0.054 0.000 0.869 595 T HN 0.150 nan 8.240 nan 0.000 0.466 596 L N 0.314 121.521 121.223 -0.027 0.000 2.068 596 L HA 0.044 4.379 4.340 -0.009 0.000 0.204 596 L C 2.739 179.626 176.870 0.028 0.000 1.076 596 L CA 1.070 55.906 54.840 -0.007 0.000 0.753 596 L CB -0.532 41.527 42.059 0.000 0.000 0.910 596 L HN 0.175 nan 8.230 nan 0.000 0.439 597 E N 0.828 121.075 120.200 0.079 0.000 2.130 597 E HA -0.270 4.075 4.350 -0.009 0.000 0.196 597 E C 1.992 178.751 176.600 0.265 0.000 0.998 597 E CA 1.292 57.819 56.400 0.210 0.000 0.806 597 E CB -0.237 29.647 29.700 0.307 0.000 0.738 597 E HN 0.202 nan 8.360 nan 0.000 0.459 598 L N 0.536 121.734 121.223 -0.041 0.000 2.017 598 L HA -0.144 4.191 4.340 -0.009 0.000 0.208 598 L C 2.058 178.910 176.870 -0.029 0.000 1.073 598 L CA 2.438 57.084 54.840 -0.323 0.000 0.745 598 L CB -1.108 40.559 42.059 -0.652 0.000 0.894 598 L HN 0.216 nan 8.230 nan 0.000 0.432 599 S N -0.779 114.898 115.700 -0.039 0.000 2.559 599 S HA -0.226 4.239 4.470 -0.009 0.000 0.250 599 S C 1.985 176.590 174.600 0.009 0.000 0.977 599 S CA 1.056 59.246 58.200 -0.017 0.000 0.958 599 S CB -0.810 62.374 63.200 -0.027 0.000 0.751 599 S HN 0.562 nan 8.310 nan 0.000 0.534 600 R N -0.211 120.320 120.500 0.052 0.000 2.173 600 R HA 0.056 4.391 4.340 -0.009 0.000 0.208 600 R C 1.099 177.318 176.300 -0.134 0.000 1.035 600 R CA 0.761 56.832 56.100 -0.049 0.000 1.004 600 R CB -0.053 30.192 30.300 -0.093 0.000 0.917 600 R HN 0.527 nan 8.270 nan 0.000 0.462 601 Y N -0.322 119.992 120.300 0.024 0.000 2.479 601 Y HA 0.156 4.700 4.550 -0.009 0.000 0.283 601 Y C 0.731 176.637 175.900 0.010 0.000 1.109 601 Y CA -0.087 58.040 58.100 0.046 0.000 1.239 601 Y CB 0.466 39.005 38.460 0.132 0.000 1.108 601 Y HN -0.275 nan 8.280 nan 0.000 0.548 602 V N 1.326 121.314 119.914 0.123 0.000 2.470 602 V HA 0.208 4.323 4.120 -0.009 0.000 0.276 602 V C 1.041 177.147 176.094 0.021 0.000 1.040 602 V CA -0.033 62.296 62.300 0.047 0.000 1.008 602 V CB 0.476 32.297 31.823 -0.003 0.000 0.990 602 V HN 0.376 nan 8.190 nan 0.000 0.477 603 A N 5.179 128.011 122.820 0.019 0.000 1.827 603 A HA -0.136 4.179 4.320 -0.009 0.000 0.215 603 A C 2.427 180.009 177.584 -0.004 0.000 1.212 603 A CA 2.103 54.143 52.037 0.005 0.000 0.624 603 A CB -1.109 17.897 19.000 0.010 0.000 0.853 603 A HN 1.123 nan 8.150 nan 0.000 0.450 604 S N -0.699 114.999 115.700 -0.004 0.000 2.420 604 S HA -0.156 4.309 4.470 -0.009 0.000 0.237 604 S C 1.236 175.827 174.600 -0.016 0.000 1.023 604 S CA 1.435 59.629 58.200 -0.010 0.000 0.991 604 S CB -0.752 62.442 63.200 -0.010 0.000 0.792 604 S HN 0.550 nan 8.310 nan 0.000 0.488 613 E N 0.849 121.022 120.200 -0.046 0.000 2.335 613 E HA 0.339 4.684 4.350 -0.009 0.000 0.191 613 E C -0.713 175.852 176.600 -0.059 0.000 1.077 613 E CA 0.329 56.700 56.400 -0.049 0.000 1.010 613 E CB 0.087 29.761 29.700 -0.043 0.000 1.141 613 E HN 0.605 nan 8.360 nan 0.000 0.452 614 L N 1.136 122.320 121.223 -0.065 0.000 2.356 614 L HA 0.238 4.573 4.340 -0.009 0.000 0.277 614 L C 0.645 177.461 176.870 -0.091 0.000 0.996 614 L CA -0.869 53.925 54.840 -0.077 0.000 0.822 614 L CB 1.858 43.872 42.059 -0.076 0.000 1.256 614 L HN -0.064 nan 8.230 nan 0.000 0.413 615 T N -0.410 114.074 114.554 -0.115 0.000 2.903 615 T HA 0.124 4.469 4.350 -0.009 0.000 0.314 615 T C -1.806 172.798 174.700 -0.159 0.000 1.078 615 T CA -1.040 60.971 62.100 -0.149 0.000 1.114 615 T CB 1.002 69.752 68.868 -0.196 0.000 0.987 615 T HN 0.337 nan 8.240 nan 0.000 0.548 616 P HA -0.074 nan 4.420 nan 0.000 0.216 616 P C 1.810 178.984 177.300 -0.209 0.000 1.153 616 P CA 1.001 64.009 63.100 -0.154 0.000 0.858 616 P CB -0.089 31.519 31.700 -0.154 0.000 0.789 617 I N -0.139 120.197 120.570 -0.389 0.000 2.068 617 I HA -0.334 3.831 4.170 -0.009 0.000 0.238 617 I C 1.913 177.828 176.117 -0.336 0.000 1.046 617 I CA 1.888 62.789 61.300 -0.664 0.000 1.306 617 I CB -0.943 36.484 38.000 -0.956 0.000 1.023 617 I HN -0.013 nan 8.210 nan 0.000 0.399 618 D N 0.782 121.033 120.400 -0.248 0.000 2.170 618 D HA -0.207 4.428 4.640 -0.009 0.000 0.193 618 D C 2.222 178.483 176.300 -0.065 0.000 1.004 618 D CA 1.465 55.387 54.000 -0.130 0.000 0.860 618 D CB -0.386 40.346 40.800 -0.113 0.000 0.931 618 D HN 0.347 nan 8.370 nan 0.000 0.448 619 L N 0.722 121.909 121.223 -0.061 0.000 2.007 619 L HA -0.112 4.223 4.340 -0.009 0.000 0.205 619 L C 2.477 179.378 176.870 0.052 0.000 1.073 619 L CA 0.931 55.768 54.840 -0.005 0.000 0.744 619 L CB -0.466 41.590 42.059 -0.006 0.000 0.898 619 L HN -0.095 nan 8.230 nan 0.000 0.435 620 E N 0.192 120.432 120.200 0.066 0.000 2.114 620 E HA -0.222 4.123 4.350 -0.009 0.000 0.199 620 E C 2.338 179.046 176.600 0.180 0.000 1.008 620 E CA 1.399 57.894 56.400 0.159 0.000 0.810 620 E CB -0.449 29.407 29.700 0.259 0.000 0.739 620 E HN 0.302 nan 8.360 nan 0.000 0.456 621 V N 1.173 121.184 119.914 0.161 0.000 2.427 621 V HA -0.198 3.917 4.120 -0.009 0.000 0.248 621 V C 2.402 178.558 176.094 0.103 0.000 1.051 621 V CA 1.162 63.552 62.300 0.150 0.000 1.048 621 V CB -0.321 31.573 31.823 0.118 0.000 0.666 621 V HN 0.192 nan 8.190 nan 0.000 0.456 622 L N -0.427 120.852 121.223 0.094 0.000 2.395 622 L HA 0.020 4.354 4.340 -0.009 0.000 0.218 622 L C 2.428 179.394 176.870 0.161 0.000 1.130 622 L CA 0.985 55.904 54.840 0.132 0.000 0.826 622 L CB -0.432 41.701 42.059 0.124 0.000 0.941 622 L HN 0.340 nan 8.230 nan 0.000 0.451 623 A N -1.196 121.708 122.820 0.139 0.000 1.984 623 A HA -0.075 4.240 4.320 -0.009 0.000 0.214 623 A C 0.569 178.218 177.584 0.110 0.000 1.173 623 A CA 0.885 53.005 52.037 0.138 0.000 0.673 623 A CB 0.056 19.148 19.000 0.154 0.000 0.830 623 A HN 0.310 nan 8.150 nan 0.000 0.453 624 D N -1.997 118.470 120.400 0.112 0.000 2.472 624 D HA 0.346 4.981 4.640 -0.009 0.000 0.248 624 D C -2.510 173.845 176.300 0.092 0.000 1.271 624 D CA -1.399 52.665 54.000 0.106 0.000 0.888 624 D CB 1.107 41.986 40.800 0.132 0.000 1.337 624 D HN -0.073 nan 8.370 nan 0.000 0.526 625 P HA -0.050 nan 4.420 nan 0.000 0.231 625 P C 1.141 178.471 177.300 0.049 0.000 1.158 625 P CA 0.478 63.603 63.100 0.043 0.000 0.763 625 P CB 0.094 31.795 31.700 0.001 0.000 0.805 626 N N 0.354 119.103 118.700 0.083 0.000 2.289 626 N HA -0.154 4.581 4.740 -0.009 0.000 0.184 626 N C 1.312 176.910 175.510 0.146 0.000 1.016 626 N CA 0.863 53.997 53.050 0.140 0.000 0.872 626 N CB -0.001 38.612 38.487 0.209 0.000 0.973 626 N HN 0.140 nan 8.380 nan 0.000 0.433 627 K N 0.365 120.776 120.400 0.017 0.000 2.439 627 K HA -0.068 4.246 4.320 -0.009 0.000 0.197 627 K C 1.428 177.783 176.600 -0.408 0.000 1.041 627 K CA 0.178 56.226 56.287 -0.398 0.000 0.970 627 K CB 0.097 32.407 32.500 -0.316 0.000 0.773 627 K HN 0.135 nan 8.250 nan 0.000 0.479 628 L N 0.737 121.905 121.223 -0.091 0.000 2.599 628 L HA -0.020 4.315 4.340 -0.009 0.000 0.230 628 L C 1.120 177.974 176.870 -0.026 0.000 1.141 628 L CA 1.163 56.002 54.840 -0.001 0.000 0.877 628 L CB 0.216 42.312 42.059 0.061 0.000 1.009 628 L HN 0.017 nan 8.230 nan 0.000 0.447 629 Q N -1.278 118.495 119.800 -0.045 0.000 2.155 629 Q HA 0.120 4.455 4.340 -0.009 0.000 0.273 629 Q C -0.574 175.511 176.000 0.142 0.000 0.857 629 Q CA -0.015 55.825 55.803 0.062 0.000 1.116 629 Q CB 0.705 29.507 28.738 0.107 0.000 1.209 629 Q HN 0.689 nan 8.270 nan 0.000 0.460 630 Y N -3.906 116.349 120.300 -0.076 0.000 2.913 630 Y HA 0.175 4.720 4.550 -0.009 0.000 0.342 630 Y C 0.966 176.734 175.900 -0.220 0.000 0.893 630 Y CA 0.331 58.358 58.100 -0.120 0.000 0.881 630 Y CB -0.251 38.137 38.460 -0.120 0.000 1.370 630 Y HN -0.054 nan 8.280 nan 0.000 0.524 631 K N -0.191 119.622 120.400 -0.978 0.000 2.306 631 K HA 0.252 4.567 4.320 -0.009 0.000 0.200 631 K C 0.126 176.186 176.600 -0.901 0.000 1.083 631 K CA 0.629 56.252 56.287 -1.106 0.000 0.959 631 K CB 0.534 31.980 32.500 -1.757 0.000 0.994 631 K HN 0.232 nan 8.250 nan 0.000 0.492 632 W N -0.451 120.640 121.300 -0.348 0.000 3.349 632 W HA 0.473 5.128 4.660 -0.009 0.000 0.325 632 W C -0.279 176.105 176.519 -0.224 0.000 1.198 632 W CA -0.703 56.470 57.345 -0.286 0.000 0.985 632 W CB 0.560 29.872 29.460 -0.247 0.000 1.556 632 W HN -0.161 nan 8.180 nan 0.000 0.610 633 T N -0.958 113.634 114.554 0.062 0.000 2.821 633 T HA 0.112 4.457 4.350 -0.009 0.000 0.306 633 T C 0.666 175.379 174.700 0.023 0.000 1.313 633 T CA -0.323 61.789 62.100 0.020 0.000 1.012 633 T CB 1.528 70.361 68.868 -0.059 0.000 1.298 633 T HN 0.534 nan 8.240 nan 0.000 0.502 634 E N 1.115 121.349 120.200 0.055 0.000 2.277 634 E HA -0.324 4.020 4.350 -0.009 0.000 0.216 634 E C 1.840 178.341 176.600 -0.165 0.000 1.068 634 E CA 2.381 58.731 56.400 -0.083 0.000 0.866 634 E CB -0.415 29.185 29.700 -0.167 0.000 0.749 634 E HN 0.675 nan 8.360 nan 0.000 0.465 635 A N 0.729 123.494 122.820 -0.092 0.000 1.969 635 A HA -0.164 4.151 4.320 -0.009 0.000 0.218 635 A C 1.608 179.141 177.584 -0.086 0.000 1.169 635 A CA 1.585 53.574 52.037 -0.080 0.000 0.635 635 A CB -0.179 18.810 19.000 -0.018 0.000 0.810 635 A HN 0.341 nan 8.150 nan 0.000 0.445 636 D N -0.627 119.713 120.400 -0.100 0.000 2.363 636 D HA 0.099 4.733 4.640 -0.009 0.000 0.226 636 D C -0.078 176.093 176.300 -0.215 0.000 1.020 636 D CA 0.496 54.383 54.000 -0.187 0.000 0.892 636 D CB 0.205 40.832 40.800 -0.288 0.000 0.900 636 D HN 0.183 nan 8.370 nan 0.000 0.531 637 V N 1.295 121.135 119.914 -0.122 0.000 2.444 637 V HA 0.113 4.228 4.120 -0.009 0.000 0.294 637 V C 0.180 176.244 176.094 -0.050 0.000 1.022 637 V CA -0.960 61.293 62.300 -0.079 0.000 0.850 637 V CB 1.842 33.687 31.823 0.036 0.000 0.992 637 V HN -0.059 nan 8.190 nan 0.000 0.426 638 S N 3.438 119.100 115.700 -0.064 0.000 2.715 638 S HA -0.010 4.454 4.470 -0.009 0.000 0.318 638 S C 1.645 176.243 174.600 -0.005 0.000 1.242 638 S CA 0.339 58.511 58.200 -0.047 0.000 1.044 638 S CB 0.647 63.816 63.200 -0.051 0.000 0.760 638 S HN 1.127 nan 8.310 nan 0.000 0.501 639 A N 4.379 127.188 122.820 -0.018 0.000 1.903 639 A HA -0.268 4.047 4.320 -0.009 0.000 0.219 639 A C 2.147 179.761 177.584 0.051 0.000 1.191 639 A CA 1.957 53.995 52.037 0.002 0.000 0.638 639 A CB -0.762 18.225 19.000 -0.021 0.000 0.823 639 A HN 0.947 nan 8.150 nan 0.000 0.451 640 N N 0.123 118.839 118.700 0.027 0.000 2.188 640 N HA -0.129 4.605 4.740 -0.009 0.000 0.184 640 N C 1.473 177.009 175.510 0.044 0.000 1.018 640 N CA 1.685 54.753 53.050 0.031 0.000 0.858 640 N CB -0.578 37.914 38.487 0.009 0.000 0.989 640 N HN 0.355 nan 8.380 nan 0.000 0.426 641 I N 1.938 122.529 120.570 0.035 0.000 2.226 641 I HA -0.200 3.965 4.170 -0.009 0.000 0.245 641 I C 2.508 178.660 176.117 0.059 0.000 1.100 641 I CA 0.988 62.306 61.300 0.031 0.000 1.374 641 I CB -1.567 36.437 38.000 0.006 0.000 1.057 641 I HN 0.334 nan 8.210 nan 0.000 0.413 642 H N 1.609 120.677 119.070 -0.004 0.000 2.319 642 H HA -0.199 4.352 4.556 -0.009 0.000 0.297 642 H C 1.744 177.087 175.328 0.025 0.000 1.097 642 H CA 1.995 58.047 56.048 0.006 0.000 1.285 642 H CB 0.276 30.036 29.762 -0.004 0.000 1.368 642 H HN 0.457 nan 8.280 nan 0.000 0.495 643 E N -0.152 120.104 120.200 0.093 0.000 2.401 643 E HA -0.089 4.256 4.350 -0.009 0.000 0.199 643 E C 2.296 178.927 176.600 0.051 0.000 1.023 643 E CA 0.512 56.952 56.400 0.066 0.000 0.859 643 E CB 0.229 29.977 29.700 0.080 0.000 0.780 643 E HN 0.253 nan 8.360 nan 0.000 0.523 644 V N 0.844 120.782 119.914 0.039 0.000 2.407 644 V HA -0.179 3.936 4.120 -0.009 0.000 0.245 644 V C 1.976 178.086 176.094 0.027 0.000 1.041 644 V CA 1.338 63.677 62.300 0.065 0.000 1.040 644 V CB -0.092 31.777 31.823 0.077 0.000 0.671 644 V HN 0.279 nan 8.190 nan 0.000 0.455 645 L N -1.487 119.710 121.223 -0.043 0.000 2.221 645 L HA 0.174 4.508 4.340 -0.009 0.000 0.202 645 L C 0.918 177.728 176.870 -0.099 0.000 1.074 645 L CA 0.544 55.339 54.840 -0.075 0.000 0.795 645 L CB -0.079 41.920 42.059 -0.101 0.000 0.960 645 L HN 0.260 nan 8.230 nan 0.000 0.458 646 M N -1.105 118.389 119.600 -0.177 0.000 2.654 646 M HA 0.380 4.855 4.480 -0.009 0.000 0.310 646 M C -0.687 175.635 176.300 0.036 0.000 1.211 646 M CA -0.233 54.996 55.300 -0.117 0.000 0.947 646 M CB 1.604 34.039 32.600 -0.276 0.000 1.647 646 M HN -0.021 nan 8.290 nan 0.000 0.481 647 H N -0.436 118.624 119.070 -0.015 0.000 2.947 647 H HA 0.587 5.138 4.556 -0.009 0.000 0.354 647 H C -1.361 173.995 175.328 0.048 0.000 1.085 647 H CA -0.201 55.860 56.048 0.021 0.000 1.253 647 H CB 1.905 31.674 29.762 0.010 0.000 1.757 647 H HN 0.825 nan 8.280 nan 0.000 0.523 648 G N 2.025 110.596 108.800 -0.381 0.000 2.552 648 G HA2 0.488 4.443 3.960 -0.009 0.000 0.318 648 G HA3 0.488 4.443 3.960 -0.009 0.000 0.318 648 G C -0.818 174.015 174.900 -0.111 0.000 1.240 648 G CA -0.508 44.506 45.100 -0.142 0.000 1.002 648 G HN 0.391 nan 8.290 nan 0.000 0.493 649 V N 0.537 120.454 119.914 0.005 0.000 2.532 649 V HA 0.346 4.460 4.120 -0.009 0.000 0.295 649 V C 0.604 176.705 176.094 0.012 0.000 1.041 649 V CA -0.737 61.584 62.300 0.035 0.000 0.926 649 V CB 1.501 33.359 31.823 0.058 0.000 0.992 649 V HN 0.983 nan 8.190 nan 0.000 0.457 650 S N 2.922 118.633 115.700 0.019 0.000 2.642 650 S HA -0.021 4.443 4.470 -0.009 0.000 0.308 650 S C 1.056 175.671 174.600 0.026 0.000 1.255 650 S CA 0.189 58.399 58.200 0.016 0.000 1.057 650 S CB 0.787 64.002 63.200 0.025 0.000 0.785 650 S HN 0.793 nan 8.310 nan 0.000 0.500 651 V N 2.490 122.417 119.914 0.021 0.000 2.626 651 V HA -0.136 3.979 4.120 -0.009 0.000 0.252 651 V C 1.963 178.080 176.094 0.039 0.000 1.067 651 V CA 2.037 64.355 62.300 0.031 0.000 1.081 651 V CB -0.943 30.892 31.823 0.020 0.000 0.686 651 V HN 0.921 nan 8.190 nan 0.000 0.468 652 E N 0.170 120.390 120.200 0.032 0.000 2.267 652 E HA -0.171 4.173 4.350 -0.009 0.000 0.197 652 E C 2.126 178.757 176.600 0.051 0.000 0.998 652 E CA 1.179 57.600 56.400 0.035 0.000 0.830 652 E CB -0.109 29.608 29.700 0.027 0.000 0.751 652 E HN 0.562 nan 8.360 nan 0.000 0.491 653 K N -0.496 119.939 120.400 0.057 0.000 2.214 653 K HA 0.075 4.390 4.320 -0.009 0.000 0.201 653 K C 2.277 178.946 176.600 0.116 0.000 1.049 653 K CA 1.396 57.726 56.287 0.073 0.000 0.978 653 K CB -0.212 32.318 32.500 0.050 0.000 0.842 653 K HN 0.271 nan 8.250 nan 0.000 0.474 654 T N 0.462 115.081 114.554 0.110 0.000 2.708 654 T HA -0.172 4.172 4.350 -0.009 0.000 0.266 654 T C 1.947 176.768 174.700 0.201 0.000 1.037 654 T CA 1.277 63.481 62.100 0.173 0.000 1.146 654 T CB -0.289 68.658 68.868 0.132 0.000 0.865 654 T HN 0.284 nan 8.240 nan 0.000 0.435 655 E N 1.377 121.647 120.200 0.117 0.000 2.048 655 E HA -0.282 4.063 4.350 -0.009 0.000 0.202 655 E C 2.571 179.221 176.600 0.084 0.000 1.021 655 E CA 1.310 57.757 56.400 0.078 0.000 0.825 655 E CB -0.209 29.518 29.700 0.046 0.000 0.756 655 E HN 0.451 nan 8.360 nan 0.000 0.454 656 R N -0.734 119.824 120.500 0.097 0.000 2.127 656 R HA -0.179 4.156 4.340 -0.009 0.000 0.238 656 R C 2.329 178.712 176.300 0.138 0.000 1.134 656 R CA 1.577 57.733 56.100 0.092 0.000 0.975 656 R CB -0.322 30.030 30.300 0.087 0.000 0.865 656 R HN 0.296 nan 8.270 nan 0.000 0.447 657 F N 0.216 120.199 119.950 0.056 0.000 2.149 657 F HA -0.112 4.409 4.527 -0.009 0.000 0.294 657 F C 1.769 177.630 175.800 0.101 0.000 1.095 657 F CA 0.731 58.791 58.000 0.100 0.000 1.276 657 F CB -0.445 38.624 39.000 0.116 0.000 1.023 657 F HN -0.034 nan 8.300 nan 0.000 0.480 658 L N 1.525 122.707 121.223 -0.069 0.000 2.127 658 L HA -0.162 4.173 4.340 -0.009 0.000 0.211 658 L C 2.550 179.250 176.870 -0.283 0.000 1.089 658 L CA 1.833 56.525 54.840 -0.247 0.000 0.757 658 L CB -1.082 40.956 42.059 -0.035 0.000 0.899 658 L HN 0.303 nan 8.230 nan 0.000 0.434 659 R N -1.134 119.272 120.500 -0.157 0.000 2.235 659 R HA -0.060 4.275 4.340 -0.009 0.000 0.213 659 R C 2.008 178.231 176.300 -0.129 0.000 1.059 659 R CA 1.111 57.133 56.100 -0.130 0.000 0.997 659 R CB -0.055 30.209 30.300 -0.060 0.000 0.884 659 R HN 0.561 nan 8.270 nan 0.000 0.462 660 S N -1.534 114.096 115.700 -0.117 0.000 2.575 660 S HA 0.077 4.541 4.470 -0.009 0.000 0.215 660 S C 1.471 176.074 174.600 0.005 0.000 0.966 660 S CA -0.028 58.182 58.200 0.018 0.000 0.911 660 S CB 0.819 64.103 63.200 0.140 0.000 0.780 660 S HN 0.099 nan 8.310 nan 0.000 0.514 661 V N 1.262 120.971 119.914 -0.341 0.000 2.581 661 V HA 0.282 4.396 4.120 -0.009 0.000 0.240 661 V C 1.420 177.097 176.094 -0.695 0.000 1.054 661 V CA 0.843 62.755 62.300 -0.646 0.000 1.076 661 V CB -0.211 31.040 31.823 -0.952 0.000 0.748 661 V HN 0.455 nan 8.190 nan 0.000 0.474 662 M N 0.148 119.344 119.600 -0.672 0.000 2.114 662 M HA 0.313 4.788 4.480 -0.009 0.000 0.280 662 M C -2.016 173.974 176.300 -0.516 0.000 1.209 662 M CA -1.176 53.634 55.300 -0.817 0.000 1.044 662 M CB 0.058 32.275 32.600 -0.639 0.000 1.404 662 M HN 0.092 nan 8.290 nan 0.000 0.499 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.950 63.100 -0.250 0.000 0.800 663 P CB 0.000 31.587 31.700 -0.189 0.000 0.726