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 1f6w_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKLGAVYTEG GFVEGVNKKL GLLGDSVDIF KGIPFAAPTK ALENPQPHPG DATA SEQUENCE WQGTLKAKNF KKRcLQATIT QDSTYGDEDc LYLNIWVPQG RKQVSRDLPV DATA SEQUENCE MIWIYGGAFL MGSGHGANFL NNYLYDGEEI ATRGNVIVVT FNYRVGPLGF DATA SEQUENCE LSTGDANLPG NYGLRDQHMA IAWVKRNIAA FGGDPDNITL FGESAGGASV DATA SEQUENCE SLQTLSPYNK GLIRRAISQS GVALSPWVIQ KNPLFWAKKV AEKVGcPVGD DATA SEQUENCE AARMAQcLKV TDPRALTLAY KVPLAGLEYP MLHYVGFVPV IDGDFIPDDP DATA SEQUENCE INLYANAADI DYIAGTNNMD GHIFASIDMP AINKGNKKVT EEDFYKLVSE DATA SEQUENCE FTITKGLRGA KTTFDVYTES WAQDPSQENK KKTVVDFETD VLFLVPTEIA DATA SEQUENCE LAQHRANAKS AKTYAYLFSH PSRMPVYPKW VGADHADDIQ YVFGKPFATP DATA SEQUENCE TGYRPQDRTV SKAMIAYWTN FAKTGDPNMG DSAVPTHWEP YTTENSGYLE DATA SEQUENCE ITKKMGSSSM KRSLRTNFLR YWTLTYLALP TVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.609 177.584 0.042 0.000 1.274 1 A CA 0.000 52.060 52.037 0.039 0.000 0.836 1 A CB 0.000 19.028 19.000 0.047 0.000 0.831 2 K N -0.876 119.554 120.400 0.050 0.000 2.639 2 K HA 0.527 4.851 4.320 0.006 0.000 0.279 2 K C -0.925 175.718 176.600 0.071 0.000 0.976 2 K CA -0.599 55.719 56.287 0.051 0.000 0.861 2 K CB 1.245 33.763 32.500 0.029 0.000 1.436 2 K HN 0.539 nan 8.250 nan 0.000 0.400 3 L N 1.674 122.955 121.223 0.098 0.000 2.425 3 L HA 0.239 4.583 4.340 0.006 0.000 0.215 3 L C 1.278 178.213 176.870 0.109 0.000 1.065 3 L CA 0.969 55.886 54.840 0.128 0.000 0.842 3 L CB 0.018 42.220 42.059 0.238 0.000 1.033 3 L HN 1.117 nan 8.230 nan 0.000 0.474 4 G N 0.774 109.626 108.800 0.087 0.000 2.583 4 G HA2 -0.367 3.596 3.960 0.006 0.000 0.292 4 G HA3 -0.367 3.596 3.960 0.006 0.000 0.292 4 G C 0.186 175.159 174.900 0.122 0.000 1.203 4 G CA -0.002 45.138 45.100 0.066 0.000 0.987 4 G HN 0.545 nan 8.290 nan 0.000 0.554 5 A N -0.727 122.153 122.820 0.100 0.000 2.328 5 A HA 0.673 4.997 4.320 0.006 0.000 0.284 5 A C 0.011 177.754 177.584 0.266 0.000 1.160 5 A CA 0.392 52.531 52.037 0.169 0.000 0.818 5 A CB 1.208 20.207 19.000 -0.002 0.000 1.087 5 A HN 1.720 nan 8.150 nan 0.000 0.504 6 V N 2.594 122.689 119.914 0.301 0.000 2.656 6 V HA 0.244 4.368 4.120 0.006 0.000 0.307 6 V C -1.023 175.155 176.094 0.140 0.000 1.051 6 V CA -0.539 61.812 62.300 0.085 0.000 0.893 6 V CB 1.698 33.225 31.823 -0.493 0.000 0.999 6 V HN 0.804 nan 8.190 nan 0.000 0.426 7 Y N 4.025 124.224 120.300 -0.169 0.000 2.365 7 Y HA 0.543 5.097 4.550 0.007 0.000 0.340 7 Y C 0.672 176.437 175.900 -0.225 0.000 1.016 7 Y CA -0.169 57.682 58.100 -0.415 0.000 1.196 7 Y CB 1.073 39.209 38.460 -0.541 0.000 1.167 7 Y HN 0.830 nan 8.280 nan 0.000 0.509 8 T N 0.843 115.001 114.554 -0.662 0.000 2.930 8 T HA 0.271 4.625 4.350 0.006 0.000 0.290 8 T C 0.890 175.167 174.700 -0.704 0.000 1.052 8 T CA -0.279 61.580 62.100 -0.401 0.000 1.017 8 T CB 1.446 70.406 68.868 0.154 0.000 1.137 8 T HN 0.718 nan 8.240 nan 0.000 0.511 9 E N 1.132 121.067 120.200 -0.441 0.000 2.114 9 E HA -0.147 4.207 4.350 0.006 0.000 0.199 9 E C 1.899 178.259 176.600 -0.401 0.000 1.008 9 E CA 1.655 57.834 56.400 -0.367 0.000 0.810 9 E CB -1.030 28.545 29.700 -0.210 0.000 0.739 9 E HN 0.807 nan 8.360 nan 0.000 0.456 10 G N 0.388 108.978 108.800 -0.350 0.000 2.848 10 G HA2 0.347 4.311 3.960 0.006 0.000 0.208 10 G HA3 0.347 4.311 3.960 0.006 0.000 0.208 10 G C 0.568 174.625 174.900 -1.405 0.000 1.152 10 G CA 0.213 44.876 45.100 -0.728 0.000 0.789 10 G HN 0.686 nan 8.290 nan 0.000 0.531 11 G N -1.370 106.878 108.800 -0.919 0.000 2.343 11 G HA2 0.127 4.090 3.960 0.006 0.000 0.465 11 G HA3 0.127 4.090 3.960 0.006 0.000 0.465 11 G C -0.644 174.188 174.900 -0.113 0.000 1.282 11 G CA -1.148 43.560 45.100 -0.653 0.000 0.996 11 G HN 0.095 nan 8.290 nan 0.000 0.521 12 F N -0.702 119.433 119.950 0.309 0.000 2.490 12 F HA 0.579 5.110 4.527 0.006 0.000 0.336 12 F C 1.084 177.172 175.800 0.481 0.000 1.178 12 F CA 0.492 58.716 58.000 0.373 0.000 1.301 12 F CB 1.533 40.730 39.000 0.327 0.000 1.175 12 F HN 0.458 nan 8.300 nan 0.000 0.593 13 V N 2.225 122.477 119.914 0.563 0.000 2.891 13 V HA 0.330 4.454 4.120 0.006 0.000 0.304 13 V C -1.204 175.129 176.094 0.399 0.000 1.171 13 V CA -0.522 62.025 62.300 0.411 0.000 0.943 13 V CB 2.057 34.125 31.823 0.408 0.000 1.037 13 V HN 0.776 nan 8.190 nan 0.000 0.427 14 E N 3.475 123.851 120.200 0.292 0.000 2.187 14 E HA 0.653 5.007 4.350 0.006 0.000 0.268 14 E C 0.051 176.711 176.600 0.099 0.000 0.896 14 E CA -0.100 56.433 56.400 0.222 0.000 0.766 14 E CB 2.242 31.994 29.700 0.086 0.000 1.142 14 E HN 0.892 nan 8.360 nan 0.000 0.408 15 G N 1.251 109.948 108.800 -0.172 0.000 2.849 15 G HA2 0.480 4.444 3.960 0.006 0.000 0.174 15 G HA3 0.480 4.444 3.960 0.006 0.000 0.174 15 G C -0.781 173.853 174.900 -0.445 0.000 1.370 15 G CA -0.288 44.382 45.100 -0.717 0.000 1.040 15 G HN 0.345 nan 8.290 nan 0.000 0.582 16 V N 0.821 120.439 119.914 -0.493 0.000 2.488 16 V HA 0.267 4.391 4.120 0.006 0.000 0.293 16 V C -0.672 175.288 176.094 -0.224 0.000 1.027 16 V CA -0.938 61.196 62.300 -0.277 0.000 0.862 16 V CB 1.315 32.999 31.823 -0.232 0.000 1.008 16 V HN 0.701 nan 8.190 nan 0.000 0.428 17 N N 3.800 122.416 118.700 -0.140 0.000 2.470 17 N HA 0.254 4.998 4.740 0.006 0.000 0.268 17 N C -0.473 175.012 175.510 -0.043 0.000 1.136 17 N CA -0.052 52.953 53.050 -0.075 0.000 0.961 17 N CB 0.750 39.214 38.487 -0.038 0.000 1.067 17 N HN 0.685 nan 8.380 nan 0.000 0.468 18 K N 3.046 123.439 120.400 -0.012 0.000 2.449 18 K HA 0.229 4.553 4.320 0.006 0.000 0.257 18 K C -0.736 175.882 176.600 0.030 0.000 0.989 18 K CA -0.847 55.448 56.287 0.013 0.000 0.916 18 K CB 0.497 33.020 32.500 0.039 0.000 1.136 18 K HN 0.327 nan 8.250 nan 0.000 0.439 19 K N 3.717 124.130 120.400 0.022 0.000 2.472 19 K HA 0.006 4.330 4.320 0.006 0.000 0.280 19 K C -0.340 176.280 176.600 0.033 0.000 1.028 19 K CA 0.076 56.378 56.287 0.025 0.000 1.045 19 K CB 0.463 32.973 32.500 0.018 0.000 0.902 19 K HN 0.527 nan 8.250 nan 0.000 0.478 20 L N 2.929 124.173 121.223 0.036 0.000 2.504 20 L HA 0.292 4.636 4.340 0.006 0.000 0.249 20 L C 0.510 177.397 176.870 0.028 0.000 1.120 20 L CA 0.509 55.371 54.840 0.037 0.000 0.997 20 L CB 0.587 42.672 42.059 0.043 0.000 1.349 20 L HN 0.959 nan 8.230 nan 0.000 0.439 21 G N 1.544 110.359 108.800 0.026 0.000 2.384 21 G HA2 -0.143 3.821 3.960 0.006 0.000 0.204 21 G HA3 -0.143 3.821 3.960 0.006 0.000 0.204 21 G C -0.402 174.510 174.900 0.019 0.000 1.237 21 G CA -0.403 44.710 45.100 0.022 0.000 1.060 21 G HN 0.162 nan 8.290 nan 0.000 0.514 22 L N 0.101 121.334 121.223 0.017 0.000 3.135 22 L HA 0.458 4.802 4.340 0.006 0.000 0.279 22 L C 1.802 178.680 176.870 0.014 0.000 1.200 22 L CA 0.359 55.208 54.840 0.015 0.000 1.016 22 L CB 0.602 42.669 42.059 0.013 0.000 1.391 22 L HN 0.459 nan 8.230 nan 0.000 0.588 23 L N -0.652 120.580 121.223 0.015 0.000 2.607 23 L HA 0.541 4.885 4.340 0.006 0.000 0.228 23 L C 1.449 178.328 176.870 0.016 0.000 1.123 23 L CA 0.705 55.554 54.840 0.014 0.000 0.890 23 L CB -0.042 42.025 42.059 0.013 0.000 1.103 23 L HN 0.421 nan 8.230 nan 0.000 0.468 24 G N -0.408 108.403 108.800 0.018 0.000 2.336 24 G HA2 -0.206 3.758 3.960 0.006 0.000 0.194 24 G HA3 -0.206 3.758 3.960 0.006 0.000 0.194 24 G C -0.195 174.720 174.900 0.025 0.000 0.999 24 G CA -0.461 44.651 45.100 0.020 0.000 0.669 24 G HN 0.371 nan 8.290 nan 0.000 0.482 25 D N 1.463 121.878 120.400 0.026 0.000 2.414 25 D HA 0.532 5.175 4.640 0.006 0.000 0.242 25 D C 0.825 177.147 176.300 0.037 0.000 1.129 25 D CA 1.369 55.388 54.000 0.031 0.000 0.885 25 D CB 1.295 42.112 40.800 0.027 0.000 1.198 25 D HN 0.714 nan 8.370 nan 0.000 0.437 26 S N 0.158 115.887 115.700 0.048 0.000 2.800 26 S HA 0.703 5.176 4.470 0.006 0.000 0.293 26 S C -1.415 173.233 174.600 0.081 0.000 1.209 26 S CA -0.957 57.276 58.200 0.056 0.000 0.884 26 S CB 1.543 64.769 63.200 0.043 0.000 1.244 26 S HN 0.430 nan 8.310 nan 0.000 0.540 27 V N 0.986 120.955 119.914 0.091 0.000 2.711 27 V HA 0.480 4.604 4.120 0.006 0.000 0.304 27 V C -1.965 174.186 176.094 0.095 0.000 1.097 27 V CA -0.552 61.832 62.300 0.139 0.000 0.906 27 V CB 1.823 33.770 31.823 0.207 0.000 1.015 27 V HN 0.965 nan 8.190 nan 0.000 0.427 28 D N 6.282 126.748 120.400 0.111 0.000 2.264 28 D HA 0.471 5.115 4.640 0.006 0.000 0.250 28 D C -0.405 175.826 176.300 -0.114 0.000 1.113 28 D CA 0.232 54.221 54.000 -0.020 0.000 0.871 28 D CB 1.966 42.845 40.800 0.132 0.000 1.167 28 D HN 0.482 nan 8.370 nan 0.000 0.447 29 I N 3.217 123.533 120.570 -0.424 0.000 2.420 29 I HA 0.227 4.401 4.170 0.006 0.000 0.282 29 I C -0.796 174.903 176.117 -0.697 0.000 1.019 29 I CA -0.700 60.273 61.300 -0.544 0.000 1.130 29 I CB 0.673 38.416 38.000 -0.430 0.000 1.262 29 I HN 0.061 nan 8.210 nan 0.000 0.454 30 F N 5.470 125.197 119.950 -0.371 0.000 2.411 30 F HA 0.536 5.067 4.527 0.006 0.000 0.352 30 F C 0.216 175.774 175.800 -0.404 0.000 1.123 30 F CA -0.731 57.113 58.000 -0.260 0.000 1.044 30 F CB 1.203 40.174 39.000 -0.048 0.000 1.135 30 F HN 0.215 nan 8.300 nan 0.000 0.461 31 K N 0.915 121.171 120.400 -0.240 0.000 2.316 31 K HA 0.652 4.976 4.320 0.006 0.000 0.251 31 K C 0.358 176.859 176.600 -0.165 0.000 0.934 31 K CA -0.877 55.218 56.287 -0.320 0.000 0.802 31 K CB 2.100 34.164 32.500 -0.726 0.000 1.171 31 K HN 0.800 nan 8.250 nan 0.000 0.426 32 G N 2.074 110.849 108.800 -0.042 0.000 2.182 32 G HA2 -0.239 3.725 3.960 0.006 0.000 0.248 32 G HA3 -0.239 3.725 3.960 0.006 0.000 0.248 32 G C -0.077 174.831 174.900 0.014 0.000 1.042 32 G CA -0.334 44.728 45.100 -0.063 0.000 0.775 32 G HN 0.519 nan 8.290 nan 0.000 0.501 33 I N 2.177 122.777 120.570 0.050 0.000 2.395 33 I HA 0.281 4.455 4.170 0.006 0.000 0.289 33 I C -1.529 174.573 176.117 -0.024 0.000 1.023 33 I CA -2.250 59.017 61.300 -0.055 0.000 1.350 33 I CB 1.400 39.278 38.000 -0.203 0.000 1.409 33 I HN -0.030 nan 8.210 nan 0.000 0.507 34 P HA 0.118 nan 4.420 nan 0.000 0.286 34 P C -0.368 176.632 177.300 -0.500 0.000 1.269 34 P CA -0.161 62.657 63.100 -0.470 0.000 0.787 34 P CB 0.733 32.130 31.700 -0.505 0.000 0.920 35 F N 1.054 120.689 119.950 -0.525 0.000 2.706 35 F HA 0.751 5.281 4.527 0.005 0.000 0.313 35 F C 0.035 175.768 175.800 -0.112 0.000 1.096 35 F CA -0.900 56.814 58.000 -0.477 0.000 1.219 35 F CB 0.182 38.832 39.000 -0.583 0.000 1.051 35 F HN 0.349 nan 8.300 nan 0.000 0.568 36 A N 0.898 123.424 122.820 -0.489 0.000 2.589 36 A HA 0.785 5.108 4.320 0.006 0.000 0.296 36 A C -0.445 177.054 177.584 -0.142 0.000 1.062 36 A CA -0.606 51.297 52.037 -0.223 0.000 0.686 36 A CB 0.352 19.174 19.000 -0.297 0.000 1.282 36 A HN 0.621 nan 8.150 nan 0.000 0.404 37 A N 1.835 124.647 122.820 -0.014 0.000 2.492 37 A HA 0.571 4.895 4.320 0.006 0.000 0.236 37 A C -2.238 175.302 177.584 -0.073 0.000 1.078 37 A CA -0.565 51.459 52.037 -0.022 0.000 0.773 37 A CB -0.896 18.061 19.000 -0.072 0.000 1.023 37 A HN 0.559 nan 8.150 nan 0.000 0.504 38 P HA 0.097 nan 4.420 nan 0.000 0.267 38 P C 0.182 177.448 177.300 -0.057 0.000 1.201 38 P CA 0.506 63.584 63.100 -0.038 0.000 0.775 38 P CB 0.313 32.019 31.700 0.010 0.000 0.854 39 T N 0.236 114.753 114.554 -0.061 0.000 2.882 39 T HA 0.391 4.745 4.350 0.006 0.000 0.287 39 T C -0.131 174.531 174.700 -0.063 0.000 0.992 39 T CA -0.807 61.253 62.100 -0.066 0.000 1.076 39 T CB 0.730 69.554 68.868 -0.073 0.000 0.961 39 T HN 0.034 nan 8.240 nan 0.000 0.490 40 K N 1.707 122.062 120.400 -0.074 0.000 2.130 40 K HA 0.592 4.916 4.320 0.006 0.000 0.268 40 K C 0.126 176.651 176.600 -0.124 0.000 0.983 40 K CA -0.781 55.458 56.287 -0.079 0.000 0.893 40 K CB 1.378 33.838 32.500 -0.067 0.000 1.066 40 K HN 0.948 nan 8.250 nan 0.000 0.450 41 A N 4.277 127.023 122.820 -0.123 0.000 2.561 41 A HA 0.107 4.431 4.320 0.006 0.000 0.251 41 A C 0.841 178.268 177.584 -0.262 0.000 1.062 41 A CA 0.298 52.233 52.037 -0.169 0.000 0.761 41 A CB -0.667 18.260 19.000 -0.121 0.000 0.986 41 A HN 0.952 nan 8.150 nan 0.000 0.510 42 L N -0.051 120.907 121.223 -0.443 0.000 4.232 42 L HA -0.183 4.161 4.340 0.006 0.000 0.415 42 L C -0.057 176.320 176.870 -0.821 0.000 1.168 42 L CA 0.657 55.010 54.840 -0.812 0.000 0.966 42 L CB -1.654 40.139 42.059 -0.444 0.000 2.052 42 L HN 0.743 nan 8.230 nan 0.000 0.887 43 E N 0.271 120.177 120.200 -0.490 0.000 2.227 43 E HA 0.416 4.770 4.350 0.006 0.000 0.268 43 E C -0.020 176.555 176.600 -0.042 0.000 0.907 43 E CA -0.934 55.358 56.400 -0.179 0.000 0.786 43 E CB 1.204 30.846 29.700 -0.096 0.000 1.191 43 E HN 0.021 nan 8.360 nan 0.000 0.411 44 N N 2.952 121.724 118.700 0.120 0.000 2.395 44 N HA 0.077 4.821 4.740 0.006 0.000 0.246 44 N C -2.188 173.348 175.510 0.043 0.000 1.246 44 N CA -0.638 52.486 53.050 0.123 0.000 0.879 44 N CB -0.154 38.383 38.487 0.084 0.000 1.098 44 N HN 0.192 nan 8.380 nan 0.000 0.444 45 P HA 0.049 nan 4.420 nan 0.000 0.271 45 P C -0.673 176.643 177.300 0.027 0.000 1.216 45 P CA -0.063 63.045 63.100 0.013 0.000 0.776 45 P CB 0.892 32.609 31.700 0.029 0.000 0.881 46 Q N 2.266 122.071 119.800 0.008 0.000 2.297 46 Q HA 0.507 4.851 4.340 0.006 0.000 0.269 46 Q C -2.265 173.753 176.000 0.030 0.000 1.051 46 Q CA -2.163 53.652 55.803 0.020 0.000 0.869 46 Q CB 0.559 29.298 28.738 0.001 0.000 1.346 46 Q HN 0.342 nan 8.270 nan 0.000 0.457 47 P HA -0.012 nan 4.420 nan 0.000 0.271 47 P C -0.592 176.747 177.300 0.066 0.000 1.233 47 P CA 0.098 63.243 63.100 0.075 0.000 0.789 47 P CB 0.438 32.174 31.700 0.059 0.000 0.951 48 H N 2.343 121.441 119.070 0.046 0.000 2.517 48 H HA 0.187 4.747 4.556 0.006 0.000 0.317 48 H C -1.440 173.912 175.328 0.040 0.000 1.080 48 H CA -1.757 54.321 56.048 0.050 0.000 1.301 48 H CB 0.816 30.635 29.762 0.096 0.000 1.425 48 H HN 0.275 nan 8.280 nan 0.000 0.471 49 P HA -0.047 nan 4.420 nan 0.000 0.216 49 P C 0.168 177.432 177.300 -0.060 0.000 1.157 49 P CA 1.671 64.658 63.100 -0.189 0.000 0.880 49 P CB 0.180 31.731 31.700 -0.249 0.000 0.791 50 G N -1.942 106.929 108.800 0.118 0.000 2.373 50 G HA2 0.205 4.169 3.960 0.006 0.000 0.634 50 G HA3 0.205 4.169 3.960 0.006 0.000 0.634 50 G C -1.758 173.243 174.900 0.169 0.000 1.267 50 G CA -0.665 44.401 45.100 -0.057 0.000 1.008 50 G HN 0.324 nan 8.290 nan 0.000 0.497 51 W N -2.287 119.123 121.300 0.185 0.000 3.018 51 W HA 0.829 5.493 4.660 0.006 0.000 0.352 51 W C -0.875 175.723 176.519 0.132 0.000 1.230 51 W CA -1.141 56.296 57.345 0.154 0.000 1.162 51 W CB 0.699 30.256 29.460 0.162 0.000 1.483 51 W HN 0.624 nan 8.180 nan 0.000 0.584 52 Q N 1.288 121.308 119.800 0.367 0.000 2.274 52 Q HA 0.649 4.993 4.340 0.006 0.000 0.260 52 Q C 0.643 176.867 176.000 0.375 0.000 0.974 52 Q CA 0.625 56.586 55.803 0.263 0.000 0.876 52 Q CB 1.489 30.332 28.738 0.175 0.000 1.297 52 Q HN 1.096 nan 8.270 nan 0.000 0.446 53 G N 1.216 110.212 108.800 0.325 0.000 2.523 53 G HA2 -0.240 3.724 3.960 0.006 0.000 0.271 53 G HA3 -0.240 3.724 3.960 0.006 0.000 0.271 53 G C -0.621 174.540 174.900 0.436 0.000 1.146 53 G CA -0.080 45.209 45.100 0.315 0.000 0.961 53 G HN 0.698 nan 8.290 nan 0.000 0.549 54 T N 1.044 115.788 114.554 0.318 0.000 2.840 54 T HA 0.537 4.891 4.350 0.006 0.000 0.287 54 T C -0.405 174.382 174.700 0.145 0.000 0.991 54 T CA -0.173 62.107 62.100 0.300 0.000 0.964 54 T CB 1.767 70.726 68.868 0.152 0.000 0.954 54 T HN 1.007 nan 8.240 nan 0.000 0.438 55 L N 4.121 125.376 121.223 0.054 0.000 2.319 55 L HA 0.418 4.761 4.340 0.006 0.000 0.280 55 L C -0.007 176.809 176.870 -0.090 0.000 1.099 55 L CA -0.023 54.663 54.840 -0.257 0.000 0.828 55 L CB 0.185 41.778 42.059 -0.778 0.000 1.150 55 L HN 0.293 nan 8.230 nan 0.000 0.442 56 K N 5.706 126.043 120.400 -0.105 0.000 2.250 56 K HA 0.375 4.699 4.320 0.006 0.000 0.285 56 K C -0.366 176.168 176.600 -0.109 0.000 1.097 56 K CA -0.022 56.220 56.287 -0.074 0.000 0.913 56 K CB 1.049 33.504 32.500 -0.075 0.000 1.179 56 K HN 0.702 nan 8.250 nan 0.000 0.462 57 A N 4.546 127.326 122.820 -0.066 0.000 3.016 57 A HA 0.164 4.488 4.320 0.006 0.000 0.303 57 A C 0.701 178.186 177.584 -0.165 0.000 1.507 57 A CA -0.290 51.696 52.037 -0.085 0.000 1.196 57 A CB -0.046 18.999 19.000 0.074 0.000 1.169 57 A HN 0.601 nan 8.150 nan 0.000 0.544 58 K N 0.256 120.538 120.400 -0.197 0.000 2.391 58 K HA 0.152 4.476 4.320 0.006 0.000 0.197 58 K C -0.263 176.161 176.600 -0.294 0.000 1.087 58 K CA 0.093 56.239 56.287 -0.236 0.000 1.012 58 K CB 0.544 32.940 32.500 -0.173 0.000 0.925 58 K HN 0.528 nan 8.250 nan 0.000 0.547 59 N N 0.683 119.213 118.700 -0.283 0.000 2.240 59 N HA 0.295 5.039 4.740 0.006 0.000 0.302 59 N C -0.592 174.728 175.510 -0.317 0.000 1.106 59 N CA -0.532 52.334 53.050 -0.306 0.000 0.778 59 N CB 1.340 39.722 38.487 -0.176 0.000 1.431 59 N HN -0.154 nan 8.380 nan 0.000 0.479 60 F N 0.916 120.718 119.950 -0.246 0.000 2.586 60 F HA 0.030 4.563 4.527 0.009 0.000 0.335 60 F C 1.563 177.204 175.800 -0.264 0.000 1.210 60 F CA 0.331 58.153 58.000 -0.297 0.000 1.359 60 F CB 0.592 39.223 39.000 -0.615 0.000 1.142 60 F HN 0.071 nan 8.300 nan 0.000 0.606 61 K N 0.660 121.079 120.400 0.031 0.000 2.303 61 K HA 0.375 4.699 4.320 0.006 0.000 0.233 61 K C -0.716 175.928 176.600 0.073 0.000 1.046 61 K CA -1.041 55.185 56.287 -0.102 0.000 0.895 61 K CB 1.336 33.576 32.500 -0.434 0.000 1.220 61 K HN 0.423 nan 8.250 nan 0.000 0.470 62 K N 2.145 122.576 120.400 0.051 0.000 2.414 62 K HA 0.020 4.344 4.320 0.006 0.000 0.272 62 K C 0.623 177.322 176.600 0.165 0.000 0.993 62 K CA 0.039 56.397 56.287 0.118 0.000 0.964 62 K CB 0.448 32.990 32.500 0.069 0.000 0.925 62 K HN 0.501 nan 8.250 nan 0.000 0.487 63 R N 1.113 121.677 120.500 0.107 0.000 2.637 63 R HA 0.188 4.532 4.340 0.006 0.000 0.269 63 R C -0.416 175.852 176.300 -0.054 0.000 1.089 63 R CA -0.660 55.422 56.100 -0.028 0.000 1.177 63 R CB 0.146 30.317 30.300 -0.215 0.000 1.091 63 R HN 0.458 nan 8.270 nan 0.000 0.540 64 c N 1.341 119.901 118.600 -0.067 0.000 2.676 64 c HA 0.065 4.639 4.570 0.006 0.000 0.416 64 c C 0.869 174.882 174.090 -0.129 0.000 1.299 64 c CA -0.620 55.678 56.329 -0.053 0.000 2.048 64 c CB -0.355 42.145 42.510 -0.017 0.000 2.713 64 c HN 0.677 nan 8.230 nan 0.000 0.624 65 L N 4.466 125.636 121.223 -0.089 0.000 2.700 65 L HA 0.061 4.405 4.340 0.006 0.000 0.276 65 L C 0.393 177.189 176.870 -0.123 0.000 1.200 65 L CA 1.397 56.176 54.840 -0.101 0.000 0.951 65 L CB -0.500 41.527 42.059 -0.052 0.000 1.226 65 L HN 0.878 nan 8.230 nan 0.000 0.489 66 Q N 4.429 124.108 119.800 -0.202 0.000 2.534 66 Q HA 0.787 5.131 4.340 0.006 0.000 0.290 66 Q C -1.034 174.948 176.000 -0.030 0.000 0.991 66 Q CA -0.867 54.850 55.803 -0.144 0.000 0.783 66 Q CB 1.094 29.703 28.738 -0.216 0.000 1.470 66 Q HN 0.677 nan 8.270 nan 0.000 0.406 67 A N 1.090 123.962 122.820 0.086 0.000 2.466 67 A HA 0.363 4.687 4.320 0.006 0.000 0.238 67 A C 0.161 177.968 177.584 0.372 0.000 1.074 67 A CA 0.402 52.546 52.037 0.178 0.000 0.774 67 A CB 0.642 19.730 19.000 0.145 0.000 1.015 67 A HN 0.645 nan 8.150 nan 0.000 0.498 68 T N 0.412 115.157 114.554 0.317 0.000 2.881 68 T HA 0.387 4.741 4.350 0.006 0.000 0.278 68 T C 1.698 176.440 174.700 0.070 0.000 0.982 68 T CA 0.012 62.230 62.100 0.196 0.000 0.989 68 T CB -0.001 68.850 68.868 -0.028 0.000 1.058 68 T HN 0.429 nan 8.240 nan 0.000 0.529 69 I N 2.051 122.589 120.570 -0.053 0.000 2.141 69 I HA -0.264 3.910 4.170 0.006 0.000 0.243 69 I C 2.522 178.634 176.117 -0.009 0.000 1.035 69 I CA 2.352 63.635 61.300 -0.029 0.000 1.302 69 I CB -1.530 36.424 38.000 -0.078 0.000 1.006 69 I HN 0.803 nan 8.210 nan 0.000 0.413 70 T N -2.362 112.178 114.554 -0.024 0.000 3.129 70 T HA 0.120 4.474 4.350 0.006 0.000 0.251 70 T C 0.887 175.588 174.700 0.002 0.000 1.117 70 T CA 0.112 62.202 62.100 -0.016 0.000 1.034 70 T CB -0.427 68.424 68.868 -0.029 0.000 0.968 70 T HN 0.535 nan 8.240 nan 0.000 0.526 71 Q N 0.022 119.838 119.800 0.027 0.000 2.436 71 Q HA -0.288 4.056 4.340 0.006 0.000 0.264 71 Q C 0.286 176.303 176.000 0.028 0.000 1.093 71 Q CA 1.014 56.843 55.803 0.043 0.000 0.994 71 Q CB -1.492 27.264 28.738 0.031 0.000 1.434 71 Q HN 0.634 nan 8.270 nan 0.000 0.520 72 D N -0.755 119.657 120.400 0.020 0.000 2.202 72 D HA 0.097 4.741 4.640 0.006 0.000 0.214 72 D C 0.698 177.012 176.300 0.024 0.000 0.967 72 D CA 1.205 55.212 54.000 0.011 0.000 0.871 72 D CB 0.479 41.276 40.800 -0.006 0.000 1.020 72 D HN 0.189 nan 8.370 nan 0.000 0.474 73 S N -2.163 113.558 115.700 0.035 0.000 2.851 73 S HA 0.648 5.122 4.470 0.006 0.000 0.313 73 S C -1.114 173.550 174.600 0.106 0.000 1.163 73 S CA -0.520 57.712 58.200 0.053 0.000 0.850 73 S CB 1.117 64.337 63.200 0.034 0.000 1.245 73 S HN 0.192 nan 8.310 nan 0.000 0.558 74 T N 0.132 114.763 114.554 0.128 0.000 2.907 74 T HA 0.780 5.134 4.350 0.006 0.000 0.292 74 T C -1.123 173.743 174.700 0.277 0.000 1.043 74 T CA -0.636 61.585 62.100 0.201 0.000 1.003 74 T CB 1.156 70.085 68.868 0.101 0.000 1.084 74 T HN 0.796 nan 8.240 nan 0.000 0.483 75 Y N -0.538 119.770 120.300 0.013 0.000 2.553 75 Y HA 0.813 5.357 4.550 -0.010 0.000 0.347 75 Y C 0.408 176.320 175.900 0.019 0.000 1.019 75 Y CA -0.680 57.429 58.100 0.016 0.000 1.032 75 Y CB 1.394 39.864 38.460 0.015 0.000 1.284 75 Y HN 1.260 nan 8.280 nan 0.000 0.466 76 G N 1.473 110.277 108.800 0.006 0.000 2.358 76 G HA2 0.259 4.223 3.960 0.006 0.000 0.198 76 G HA3 0.259 4.223 3.960 0.006 0.000 0.198 76 G C -1.865 173.030 174.900 -0.010 0.000 1.220 76 G CA -0.055 44.997 45.100 -0.080 0.000 1.187 76 G HN 1.195 nan 8.290 nan 0.000 0.544 77 D N -1.545 118.845 120.400 -0.017 0.000 2.842 77 D HA 0.267 4.911 4.640 0.006 0.000 0.248 77 D C 0.360 176.668 176.300 0.013 0.000 1.140 77 D CA -0.102 53.905 54.000 0.012 0.000 0.728 77 D CB 0.461 41.283 40.800 0.037 0.000 1.595 77 D HN 0.398 nan 8.370 nan 0.000 0.450 78 E N 0.532 120.736 120.200 0.007 0.000 2.516 78 E HA -0.026 4.328 4.350 0.006 0.000 0.199 78 E C -0.289 176.320 176.600 0.014 0.000 1.069 78 E CA 0.421 56.819 56.400 -0.003 0.000 0.876 78 E CB 0.247 29.935 29.700 -0.020 0.000 0.843 78 E HN 0.213 nan 8.360 nan 0.000 0.530 79 D N 0.153 120.590 120.400 0.061 0.000 2.590 79 D HA 0.048 4.692 4.640 0.006 0.000 0.280 79 D C 0.308 176.766 176.300 0.264 0.000 1.197 79 D CA -0.435 53.635 54.000 0.118 0.000 0.967 79 D CB -0.206 40.684 40.800 0.151 0.000 0.987 79 D HN 0.099 nan 8.370 nan 0.000 0.508 80 c N 0.624 119.304 118.600 0.132 0.000 3.559 80 c HA 0.390 4.964 4.570 0.006 0.000 0.314 80 c C 1.055 175.185 174.090 0.067 0.000 1.419 80 c CA -0.607 55.856 56.329 0.224 0.000 1.775 80 c CB -1.300 41.289 42.510 0.131 0.000 2.430 80 c HN 0.377 nan 8.230 nan 0.000 0.686 81 L N 2.307 123.298 121.223 -0.388 0.000 2.388 81 L HA 0.245 4.589 4.340 0.006 0.000 0.252 81 L C -0.784 175.345 176.870 -1.235 0.000 1.357 81 L CA 0.713 55.084 54.840 -0.782 0.000 1.214 81 L CB -1.131 40.278 42.059 -1.084 0.000 1.392 81 L HN 0.406 nan 8.230 nan 0.000 0.432 82 Y N 1.603 121.912 120.300 0.015 0.000 2.562 82 Y HA 0.678 5.230 4.550 0.004 0.000 0.343 82 Y C 0.068 176.248 175.900 0.468 0.000 1.025 82 Y CA -1.182 56.995 58.100 0.129 0.000 1.082 82 Y CB 1.954 40.442 38.460 0.047 0.000 1.264 82 Y HN 0.183 nan 8.280 nan 0.000 0.478 83 L N -0.378 121.100 121.223 0.426 0.000 2.303 83 L HA 0.796 5.140 4.340 0.006 0.000 0.256 83 L C -1.659 175.323 176.870 0.186 0.000 1.034 83 L CA -1.162 53.876 54.840 0.331 0.000 0.832 83 L CB 2.102 44.220 42.059 0.098 0.000 1.403 83 L HN 0.588 nan 8.230 nan 0.000 0.419 84 N N 0.099 118.929 118.700 0.217 0.000 2.225 84 N HA 0.826 5.570 4.740 0.006 0.000 0.298 84 N C -1.481 174.052 175.510 0.038 0.000 1.076 84 N CA -0.554 52.524 53.050 0.048 0.000 0.792 84 N CB 2.615 41.139 38.487 0.061 0.000 1.498 84 N HN 0.604 nan 8.380 nan 0.000 0.474 85 I N 0.171 120.671 120.570 -0.117 0.000 2.689 85 I HA 0.479 4.652 4.170 0.006 0.000 0.299 85 I C -0.899 175.223 176.117 0.009 0.000 1.059 85 I CA -0.694 60.632 61.300 0.042 0.000 1.055 85 I CB 2.051 39.967 38.000 -0.140 0.000 1.243 85 I HN 0.315 nan 8.210 nan 0.000 0.425 86 W N 4.774 126.225 121.300 0.251 0.000 2.683 86 W HA 0.584 5.246 4.660 0.005 0.000 0.329 86 W C -1.399 175.256 176.519 0.225 0.000 1.037 86 W CA -0.616 56.871 57.345 0.236 0.000 1.232 86 W CB 2.251 31.828 29.460 0.195 0.000 1.390 86 W HN 0.048 nan 8.180 nan 0.000 0.465 87 V N 5.058 125.218 119.914 0.409 0.000 2.409 87 V HA 0.250 4.374 4.120 0.006 0.000 0.290 87 V C -1.967 174.278 176.094 0.253 0.000 1.017 87 V CA -2.086 60.410 62.300 0.327 0.000 0.841 87 V CB 1.892 33.936 31.823 0.368 0.000 1.003 87 V HN 0.222 nan 8.190 nan 0.000 0.426 88 P HA 0.206 nan 4.420 nan 0.000 0.271 88 P C -1.020 176.355 177.300 0.124 0.000 1.226 88 P CA -0.102 63.085 63.100 0.146 0.000 0.765 88 P CB 0.943 32.708 31.700 0.108 0.000 0.835 89 Q N 2.056 121.921 119.800 0.108 0.000 2.312 89 Q HA 0.530 4.874 4.340 0.006 0.000 0.263 89 Q C 0.691 176.729 176.000 0.064 0.000 0.995 89 Q CA -0.532 55.324 55.803 0.089 0.000 0.853 89 Q CB 2.576 31.368 28.738 0.090 0.000 1.300 89 Q HN 0.536 nan 8.270 nan 0.000 0.448 90 G N 0.745 109.578 108.800 0.055 0.000 2.531 90 G HA2 0.247 4.210 3.960 0.006 0.000 0.281 90 G HA3 0.247 4.210 3.960 0.006 0.000 0.281 90 G C 0.473 175.394 174.900 0.036 0.000 1.382 90 G CA -0.373 44.752 45.100 0.041 0.000 1.045 90 G HN 0.537 nan 8.290 nan 0.000 0.533 91 R N -0.640 119.877 120.500 0.029 0.000 2.240 91 R HA 0.113 4.457 4.340 0.006 0.000 0.203 91 R C 1.651 177.966 176.300 0.024 0.000 1.011 91 R CA 1.071 57.186 56.100 0.024 0.000 1.007 91 R CB 0.116 30.428 30.300 0.020 0.000 0.911 91 R HN 0.570 nan 8.270 nan 0.000 0.468 92 K N -0.480 119.935 120.400 0.025 0.000 3.959 92 K HA 0.206 4.530 4.320 0.006 0.000 0.251 92 K C 0.026 176.642 176.600 0.028 0.000 1.293 92 K CA -0.707 55.594 56.287 0.024 0.000 1.563 92 K CB -0.114 32.398 32.500 0.021 0.000 2.393 92 K HN -0.240 nan 8.250 nan 0.000 0.488 93 Q N 2.441 122.258 119.800 0.028 0.000 2.311 93 Q HA 0.191 4.535 4.340 0.006 0.000 0.272 93 Q C 0.061 176.086 176.000 0.041 0.000 1.012 93 Q CA -0.001 55.821 55.803 0.032 0.000 0.891 93 Q CB 1.202 29.957 28.738 0.029 0.000 1.201 93 Q HN 0.187 nan 8.270 nan 0.000 0.391 94 V N 2.117 122.060 119.914 0.047 0.000 2.843 94 V HA -0.020 4.104 4.120 0.006 0.000 0.305 94 V C 0.754 176.887 176.094 0.065 0.000 1.065 94 V CA -0.073 62.264 62.300 0.062 0.000 1.116 94 V CB 0.860 32.724 31.823 0.069 0.000 0.968 94 V HN 0.741 nan 8.190 nan 0.000 0.487 95 S N 4.210 119.957 115.700 0.079 0.000 2.560 95 S HA 0.360 4.834 4.470 0.006 0.000 0.284 95 S C 0.169 174.816 174.600 0.079 0.000 1.327 95 S CA -0.303 57.944 58.200 0.079 0.000 1.055 95 S CB 0.108 63.365 63.200 0.096 0.000 0.868 95 S HN 0.852 nan 8.310 nan 0.000 0.506 96 R N 0.551 121.090 120.500 0.064 0.000 2.707 96 R HA 0.504 4.848 4.340 0.006 0.000 0.272 96 R C -1.541 174.787 176.300 0.048 0.000 1.011 96 R CA -0.787 55.348 56.100 0.058 0.000 0.893 96 R CB 0.658 30.985 30.300 0.045 0.000 1.233 96 R HN 0.451 nan 8.270 nan 0.000 0.464 97 D N 0.584 121.011 120.400 0.044 0.000 3.012 97 D HA -0.145 4.499 4.640 0.006 0.000 0.222 97 D C -0.276 176.043 176.300 0.032 0.000 1.167 97 D CA 1.018 55.037 54.000 0.032 0.000 0.854 97 D CB -0.794 40.018 40.800 0.021 0.000 1.107 97 D HN 0.467 nan 8.370 nan 0.000 0.421 98 L N 0.242 121.493 121.223 0.048 0.000 2.416 98 L HA 0.225 4.569 4.340 0.006 0.000 0.272 98 L C -1.607 175.284 176.870 0.036 0.000 1.161 98 L CA -1.337 53.531 54.840 0.047 0.000 0.845 98 L CB 0.203 42.305 42.059 0.072 0.000 1.119 98 L HN -0.274 nan 8.230 nan 0.000 0.464 99 P HA 0.024 nan 4.420 nan 0.000 0.268 99 P C -0.951 176.364 177.300 0.026 0.000 1.208 99 P CA -0.101 62.999 63.100 -0.000 0.000 0.777 99 P CB 0.678 32.362 31.700 -0.026 0.000 0.875 100 V N 3.731 123.662 119.914 0.029 0.000 2.444 100 V HA 0.382 4.506 4.120 0.006 0.000 0.294 100 V C 0.001 176.145 176.094 0.082 0.000 1.022 100 V CA -0.261 62.081 62.300 0.069 0.000 0.850 100 V CB 1.232 33.098 31.823 0.071 0.000 0.992 100 V HN 0.461 nan 8.190 nan 0.000 0.426 101 M N 6.111 125.784 119.600 0.121 0.000 2.167 101 M HA 0.595 5.079 4.480 0.006 0.000 0.333 101 M C -0.974 175.582 176.300 0.428 0.000 1.030 101 M CA -0.252 55.142 55.300 0.156 0.000 0.963 101 M CB 1.872 34.401 32.600 -0.119 0.000 1.589 101 M HN 0.423 nan 8.290 nan 0.000 0.431 102 I N 3.074 123.945 120.570 0.502 0.000 2.330 102 I HA 0.287 4.461 4.170 0.006 0.000 0.289 102 I C -0.667 175.863 176.117 0.689 0.000 1.001 102 I CA -0.444 61.185 61.300 0.548 0.000 1.193 102 I CB 0.966 39.164 38.000 0.330 0.000 1.345 102 I HN 0.713 nan 8.210 nan 0.000 0.461 103 W N 8.402 129.937 121.300 0.392 0.000 2.316 103 W HA 0.564 5.227 4.660 0.005 0.000 0.321 103 W C -1.416 175.073 176.519 -0.050 0.000 1.203 103 W CA -0.570 56.715 57.345 -0.100 0.000 1.214 103 W CB 1.091 30.433 29.460 -0.196 0.000 1.169 103 W HN 0.323 nan 8.180 nan 0.000 0.561 104 I N 8.713 128.625 120.570 -1.097 0.000 2.476 104 I HA 0.061 4.235 4.170 0.006 0.000 0.281 104 I C -0.342 174.986 176.117 -1.315 0.000 1.040 104 I CA -1.067 59.689 61.300 -0.906 0.000 1.094 104 I CB 0.826 38.550 38.000 -0.460 0.000 1.219 104 I HN 0.333 nan 8.210 nan 0.000 0.450 105 Y N 4.604 124.379 120.300 -0.875 0.000 2.385 105 Y HA 0.697 5.248 4.550 0.003 0.000 0.346 105 Y C 0.792 176.555 175.900 -0.229 0.000 1.270 105 Y CA -0.453 57.320 58.100 -0.546 0.000 1.472 105 Y CB 0.067 38.357 38.460 -0.283 0.000 1.354 105 Y HN 0.509 nan 8.280 nan 0.000 0.611 106 G N -1.133 107.737 108.800 0.118 0.000 2.736 106 G HA2 0.491 4.455 3.960 0.006 0.000 0.229 106 G HA3 0.491 4.455 3.960 0.006 0.000 0.229 106 G C 0.175 175.193 174.900 0.196 0.000 1.380 106 G CA -0.960 44.174 45.100 0.057 0.000 1.040 106 G HN 1.739 nan 8.290 nan 0.000 0.568 107 G N -2.656 106.194 108.800 0.083 0.000 2.330 107 G HA2 0.381 4.345 3.960 0.006 0.000 0.125 107 G HA3 0.381 4.345 3.960 0.006 0.000 0.125 107 G C 0.742 175.684 174.900 0.069 0.000 1.060 107 G CA 0.899 46.063 45.100 0.107 0.000 0.743 107 G HN 2.247 nan 8.290 nan 0.000 0.480 108 A N -1.222 121.580 122.820 -0.030 0.000 2.869 108 A HA -0.118 4.206 4.320 0.006 0.000 0.272 108 A C 1.449 179.136 177.584 0.172 0.000 1.332 108 A CA 1.913 53.947 52.037 -0.005 0.000 0.939 108 A CB -2.111 16.929 19.000 0.068 0.000 1.018 108 A HN 2.064 nan 8.150 nan 0.000 0.696 109 F N -6.369 113.661 119.950 0.133 0.000 2.794 109 F HA -0.290 4.237 4.527 -0.000 0.000 0.335 109 F C 1.074 176.984 175.800 0.184 0.000 0.653 109 F CA 1.036 59.100 58.000 0.107 0.000 1.266 109 F CB -1.504 37.343 39.000 -0.255 0.000 1.666 109 F HN 0.418 nan 8.300 nan 0.000 0.314 110 L N -0.037 121.370 121.223 0.307 0.000 2.425 110 L HA 0.352 4.696 4.340 0.006 0.000 0.215 110 L C 0.751 177.738 176.870 0.195 0.000 1.065 110 L CA 1.368 56.369 54.840 0.268 0.000 0.842 110 L CB 0.200 42.402 42.059 0.238 0.000 1.033 110 L HN 0.145 nan 8.230 nan 0.000 0.474 111 M N -2.789 116.908 119.600 0.162 0.000 2.755 111 M HA 0.746 5.230 4.480 0.006 0.000 0.273 111 M C -0.292 176.031 176.300 0.038 0.000 1.278 111 M CA -0.223 55.121 55.300 0.073 0.000 0.819 111 M CB 1.629 34.278 32.600 0.081 0.000 1.694 111 M HN -0.069 nan 8.290 nan 0.000 0.460 112 G N 0.678 109.369 108.800 -0.181 0.000 2.355 112 G HA2 0.398 4.362 3.960 0.006 0.000 0.619 112 G HA3 0.398 4.362 3.960 0.006 0.000 0.619 112 G C -1.292 172.952 174.900 -1.094 0.000 1.337 112 G CA -0.186 44.547 45.100 -0.612 0.000 0.993 112 G HN 1.862 nan 8.290 nan 0.000 0.599 113 S N -2.131 112.574 115.700 -1.658 0.000 2.636 113 S HA 0.710 5.184 4.470 0.006 0.000 0.266 113 S C 1.215 175.369 174.600 -0.744 0.000 1.147 113 S CA 0.367 57.919 58.200 -1.082 0.000 0.815 113 S CB 1.075 63.785 63.200 -0.816 0.000 1.119 113 S HN 2.329 nan 8.310 nan 0.000 0.470 114 G N 0.638 109.319 108.800 -0.198 0.000 2.432 114 G HA2 -0.137 3.827 3.960 0.006 0.000 0.219 114 G HA3 -0.137 3.827 3.960 0.006 0.000 0.219 114 G C 1.254 176.199 174.900 0.075 0.000 1.135 114 G CA 1.289 46.457 45.100 0.114 0.000 0.767 114 G HN 0.991 nan 8.290 nan 0.000 0.550 115 H N -0.368 118.507 119.070 -0.326 0.000 2.582 115 H HA 0.171 4.732 4.556 0.008 0.000 0.269 115 H C 2.359 177.459 175.328 -0.380 0.000 0.962 115 H CA 0.811 56.440 56.048 -0.700 0.000 1.230 115 H CB -0.875 27.835 29.762 -1.752 0.000 1.445 115 H HN 0.274 nan 8.280 nan 0.000 0.528 116 G N 2.360 110.751 108.800 -0.682 0.000 3.181 116 G HA2 -0.474 3.490 3.960 0.006 0.000 0.292 116 G HA3 -0.474 3.490 3.960 0.006 0.000 0.292 116 G C 0.765 175.411 174.900 -0.424 0.000 0.965 116 G CA 2.185 46.965 45.100 -0.534 0.000 0.846 116 G HN 0.907 nan 8.290 nan 0.000 1.096 117 A N 1.310 123.722 122.820 -0.679 0.000 2.545 117 A HA 0.500 4.824 4.320 0.006 0.000 0.253 117 A C 0.519 177.829 177.584 -0.457 0.000 1.074 117 A CA 1.279 52.944 52.037 -0.621 0.000 0.760 117 A CB -0.493 18.000 19.000 -0.846 0.000 1.005 117 A HN 1.626 nan 8.150 nan 0.000 0.506 118 N N 0.554 119.033 118.700 -0.369 0.000 3.277 118 N HA 0.819 5.563 4.740 0.006 0.000 0.278 118 N C -0.867 174.519 175.510 -0.206 0.000 1.544 118 N CA -0.589 52.289 53.050 -0.287 0.000 0.869 118 N CB 0.726 39.091 38.487 -0.204 0.000 1.584 118 N HN 0.328 nan 8.380 nan 0.000 0.564 119 F N -2.273 117.507 119.950 -0.284 0.000 4.078 119 F HA 0.316 4.844 4.527 0.003 0.000 0.326 119 F C -0.038 175.630 175.800 -0.219 0.000 0.999 119 F CA -0.940 56.934 58.000 -0.209 0.000 0.812 119 F CB 0.029 38.934 39.000 -0.158 0.000 1.778 119 F HN 0.453 nan 8.300 nan 0.000 0.487 120 L N 2.029 123.275 121.223 0.039 0.000 2.591 120 L HA -0.024 4.320 4.340 0.006 0.000 0.228 120 L C 1.427 178.281 176.870 -0.028 0.000 1.133 120 L CA 0.495 55.306 54.840 -0.049 0.000 0.880 120 L CB -0.518 41.489 42.059 -0.085 0.000 1.033 120 L HN 0.518 nan 8.230 nan 0.000 0.450 121 N N 0.452 119.158 118.700 0.011 0.000 2.272 121 N HA -0.043 4.701 4.740 0.006 0.000 0.195 121 N C 0.169 175.665 175.510 -0.024 0.000 1.048 121 N CA 0.543 53.596 53.050 0.005 0.000 0.912 121 N CB -0.225 38.280 38.487 0.031 0.000 1.096 121 N HN 0.225 nan 8.380 nan 0.000 0.471 122 N N -1.315 117.352 118.700 -0.054 0.000 3.186 122 N HA 0.017 4.761 4.740 0.006 0.000 0.230 122 N C -1.561 173.908 175.510 -0.068 0.000 1.062 122 N CA -0.528 52.493 53.050 -0.049 0.000 1.084 122 N CB 0.026 38.543 38.487 0.050 0.000 1.662 122 N HN 0.132 nan 8.380 nan 0.000 0.627 123 Y N 0.793 121.060 120.300 -0.055 0.000 3.137 123 Y HA -0.153 4.399 4.550 0.004 0.000 0.348 123 Y C 1.901 177.612 175.900 -0.314 0.000 1.275 123 Y CA 0.097 58.086 58.100 -0.185 0.000 1.516 123 Y CB 0.423 38.804 38.460 -0.131 0.000 1.268 123 Y HN 0.641 nan 8.280 nan 0.000 0.644 124 L N 1.904 122.881 121.223 -0.410 0.000 2.209 124 L HA -0.031 4.313 4.340 0.006 0.000 0.207 124 L C 1.094 177.454 176.870 -0.851 0.000 1.094 124 L CA 1.214 55.681 54.840 -0.621 0.000 0.790 124 L CB -0.483 41.102 42.059 -0.790 0.000 0.932 124 L HN 0.708 nan 8.230 nan 0.000 0.447 125 Y N -0.616 119.243 120.300 -0.735 0.000 2.496 125 Y HA 0.084 4.636 4.550 0.004 0.000 0.313 125 Y C 0.647 176.187 175.900 -0.599 0.000 1.184 125 Y CA -0.752 56.635 58.100 -1.189 0.000 1.275 125 Y CB -0.333 37.631 38.460 -0.828 0.000 1.103 125 Y HN 0.119 nan 8.280 nan 0.000 0.513 126 D N 1.050 121.295 120.400 -0.259 0.000 2.450 126 D HA -0.035 4.609 4.640 0.006 0.000 0.247 126 D C 0.957 176.944 176.300 -0.522 0.000 1.162 126 D CA 0.421 54.242 54.000 -0.298 0.000 0.879 126 D CB 1.586 42.371 40.800 -0.025 0.000 1.163 126 D HN 0.490 nan 8.370 nan 0.000 0.472 127 G N 3.298 111.182 108.800 -1.527 0.000 3.284 127 G HA2 -0.076 3.888 3.960 0.006 0.000 0.236 127 G HA3 -0.076 3.888 3.960 0.006 0.000 0.236 127 G C 1.087 175.526 174.900 -0.769 0.000 1.158 127 G CA -0.194 44.327 45.100 -0.965 0.000 0.774 127 G HN 0.646 nan 8.290 nan 0.000 0.545 128 E N 0.349 120.112 120.200 -0.729 0.000 2.051 128 E HA -0.169 4.185 4.350 0.006 0.000 0.192 128 E C 2.103 178.647 176.600 -0.092 0.000 0.991 128 E CA 1.185 57.467 56.400 -0.198 0.000 0.799 128 E CB 0.099 29.797 29.700 -0.004 0.000 0.748 128 E HN 0.308 nan 8.360 nan 0.000 0.449 129 E N 0.473 120.606 120.200 -0.112 0.000 2.072 129 E HA -0.110 4.244 4.350 0.006 0.000 0.191 129 E C 1.955 178.478 176.600 -0.127 0.000 0.985 129 E CA 1.066 57.410 56.400 -0.093 0.000 0.801 129 E CB -0.093 29.572 29.700 -0.057 0.000 0.750 129 E HN 0.370 nan 8.360 nan 0.000 0.452 130 I N 0.008 120.484 120.570 -0.156 0.000 2.252 130 I HA -0.234 3.940 4.170 0.006 0.000 0.245 130 I C 2.287 178.355 176.117 -0.082 0.000 1.102 130 I CA 0.857 62.062 61.300 -0.157 0.000 1.385 130 I CB -0.408 37.460 38.000 -0.221 0.000 1.064 130 I HN 0.111 nan 8.210 nan 0.000 0.414 131 A N 1.377 124.174 122.820 -0.039 0.000 1.849 131 A HA -0.287 4.037 4.320 0.006 0.000 0.217 131 A C 2.489 180.093 177.584 0.033 0.000 1.202 131 A CA 3.098 55.164 52.037 0.049 0.000 0.629 131 A CB -1.448 17.643 19.000 0.152 0.000 0.834 131 A HN 0.512 nan 8.150 nan 0.000 0.447 132 T N -2.297 112.268 114.554 0.019 0.000 2.821 132 T HA -0.120 4.234 4.350 0.006 0.000 0.267 132 T C 1.875 176.551 174.700 -0.041 0.000 1.046 132 T CA 1.448 63.552 62.100 0.006 0.000 1.139 132 T CB -0.313 68.560 68.868 0.008 0.000 0.871 132 T HN 0.507 nan 8.240 nan 0.000 0.454 133 R N 0.588 121.036 120.500 -0.087 0.000 2.200 133 R HA 0.234 4.578 4.340 0.006 0.000 0.208 133 R C 2.500 178.743 176.300 -0.096 0.000 1.033 133 R CA 0.783 56.804 56.100 -0.132 0.000 1.000 133 R CB -0.067 30.098 30.300 -0.225 0.000 0.906 133 R HN 0.551 nan 8.270 nan 0.000 0.462 134 G N -0.487 108.275 108.800 -0.064 0.000 3.192 134 G HA2 -0.072 3.892 3.960 0.006 0.000 0.239 134 G HA3 -0.072 3.892 3.960 0.006 0.000 0.239 134 G C 0.124 175.016 174.900 -0.014 0.000 1.084 134 G CA -0.350 44.726 45.100 -0.040 0.000 0.784 134 G HN 0.384 nan 8.290 nan 0.000 0.540 135 N N -0.580 118.118 118.700 -0.002 0.000 2.740 135 N HA -0.195 4.548 4.740 0.006 0.000 0.248 135 N C -0.169 175.361 175.510 0.035 0.000 1.062 135 N CA 0.411 53.474 53.050 0.022 0.000 0.704 135 N CB -1.063 37.433 38.487 0.014 0.000 0.968 135 N HN 0.598 nan 8.380 nan 0.000 0.547 136 V N -1.759 118.181 119.914 0.043 0.000 3.102 136 V HA 0.740 4.864 4.120 0.006 0.000 0.312 136 V C 0.330 176.488 176.094 0.106 0.000 1.135 136 V CA -1.023 61.310 62.300 0.055 0.000 1.022 136 V CB 2.117 33.952 31.823 0.020 0.000 1.056 136 V HN 0.095 nan 8.190 nan 0.000 0.436 137 I N 1.900 122.547 120.570 0.128 0.000 2.440 137 I HA 0.539 4.713 4.170 0.006 0.000 0.294 137 I C -0.561 175.694 176.117 0.231 0.000 0.995 137 I CA -0.703 60.715 61.300 0.195 0.000 1.306 137 I CB 1.831 39.936 38.000 0.175 0.000 1.407 137 I HN 0.463 nan 8.210 nan 0.000 0.501 138 V N 6.858 126.982 119.914 0.349 0.000 2.487 138 V HA 0.393 4.517 4.120 0.006 0.000 0.298 138 V C -0.244 176.197 176.094 0.577 0.000 1.028 138 V CA -0.631 61.927 62.300 0.430 0.000 0.860 138 V CB 1.960 34.004 31.823 0.367 0.000 0.991 138 V HN 0.370 nan 8.190 nan 0.000 0.427 139 V N 4.239 124.468 119.914 0.526 0.000 2.495 139 V HA 0.748 4.871 4.120 0.006 0.000 0.298 139 V C 0.257 176.731 176.094 0.633 0.000 1.031 139 V CA -0.316 62.287 62.300 0.506 0.000 0.871 139 V CB 2.104 34.131 31.823 0.340 0.000 0.988 139 V HN 1.027 nan 8.190 nan 0.000 0.432 140 T N 1.668 116.624 114.554 0.670 0.000 2.916 140 T HA 0.954 5.308 4.350 0.006 0.000 0.292 140 T C -0.847 174.216 174.700 0.606 0.000 1.064 140 T CA -0.639 61.841 62.100 0.633 0.000 1.011 140 T CB 2.329 71.567 68.868 0.617 0.000 1.152 140 T HN 1.011 nan 8.240 nan 0.000 0.510 141 F N -1.489 118.686 119.950 0.375 0.000 2.858 141 F HA 0.674 5.206 4.527 0.008 0.000 0.319 141 F C -1.855 174.207 175.800 0.438 0.000 1.166 141 F CA -1.366 56.838 58.000 0.339 0.000 0.899 141 F CB 0.645 39.712 39.000 0.112 0.000 1.332 141 F HN 0.564 nan 8.300 nan 0.000 0.461 142 N N 0.558 119.581 118.700 0.538 0.000 2.430 142 N HA 0.534 5.277 4.740 0.006 0.000 0.298 142 N C -1.768 174.101 175.510 0.599 0.000 1.130 142 N CA -0.418 52.870 53.050 0.396 0.000 0.894 142 N CB 1.997 40.664 38.487 0.299 0.000 1.209 142 N HN 0.817 nan 8.380 nan 0.000 0.503 143 Y N -2.135 118.373 120.300 0.347 0.000 2.534 143 Y HA 0.512 5.066 4.550 0.007 0.000 0.345 143 Y C -0.224 175.800 175.900 0.207 0.000 1.031 143 Y CA -1.280 57.001 58.100 0.302 0.000 1.022 143 Y CB 0.880 39.507 38.460 0.279 0.000 1.292 143 Y HN 0.231 nan 8.280 nan 0.000 0.459 144 R N 2.198 122.857 120.500 0.266 0.000 2.538 144 R HA 0.415 4.759 4.340 0.006 0.000 0.282 144 R C -0.084 176.362 176.300 0.244 0.000 1.009 144 R CA 0.256 56.438 56.100 0.136 0.000 1.063 144 R CB 0.508 30.833 30.300 0.042 0.000 0.945 144 R HN 0.724 nan 8.270 nan 0.000 0.414 145 V N -0.001 120.038 119.914 0.208 0.000 3.181 145 V HA 0.906 5.030 4.120 0.006 0.000 0.314 145 V C 0.636 176.929 176.094 0.332 0.000 1.173 145 V CA -0.159 62.391 62.300 0.417 0.000 1.052 145 V CB 1.235 33.222 31.823 0.273 0.000 1.123 145 V HN 0.983 nan 8.190 nan 0.000 0.454 146 G N 0.869 109.916 108.800 0.411 0.000 2.682 146 G HA2 -0.163 3.801 3.960 0.006 0.000 0.256 146 G HA3 -0.163 3.801 3.960 0.006 0.000 0.256 146 G C -1.457 173.521 174.900 0.129 0.000 1.333 146 G CA 0.276 45.533 45.100 0.261 0.000 0.904 146 G HN 0.839 nan 8.290 nan 0.000 0.569 147 P HA -0.135 nan 4.420 nan 0.000 0.217 147 P C 2.266 179.465 177.300 -0.169 0.000 1.158 147 P CA 1.935 64.665 63.100 -0.618 0.000 0.887 147 P CB -0.020 31.244 31.700 -0.726 0.000 0.792 148 L N -1.813 119.345 121.223 -0.110 0.000 2.261 148 L HA -0.092 4.252 4.340 0.006 0.000 0.216 148 L C 2.210 179.041 176.870 -0.064 0.000 1.114 148 L CA 2.416 57.199 54.840 -0.095 0.000 0.777 148 L CB -1.905 40.106 42.059 -0.079 0.000 0.910 148 L HN 0.152 nan 8.230 nan 0.000 0.440 149 G N -2.944 105.868 108.800 0.019 0.000 2.762 149 G HA2 -0.007 3.957 3.960 0.006 0.000 0.209 149 G HA3 -0.007 3.957 3.960 0.006 0.000 0.209 149 G C 0.840 175.447 174.900 -0.489 0.000 1.134 149 G CA -0.059 44.931 45.100 -0.183 0.000 0.781 149 G HN 0.336 nan 8.290 nan 0.000 0.528 150 F N -0.125 119.949 119.950 0.205 0.000 2.936 150 F HA 0.451 4.978 4.527 -0.000 0.000 0.334 150 F C 0.475 176.411 175.800 0.227 0.000 1.170 150 F CA -0.846 57.252 58.000 0.162 0.000 1.104 150 F CB 0.287 39.323 39.000 0.060 0.000 1.216 150 F HN -0.173 nan 8.300 nan 0.000 0.518 151 L N 1.327 122.773 121.223 0.373 0.000 2.490 151 L HA 0.252 4.595 4.340 0.006 0.000 0.274 151 L C 0.528 177.597 176.870 0.333 0.000 1.201 151 L CA 0.604 55.651 54.840 0.344 0.000 0.869 151 L CB 0.764 42.910 42.059 0.144 0.000 1.123 151 L HN 0.207 nan 8.230 nan 0.000 0.484 152 S N 0.293 116.159 115.700 0.278 0.000 2.537 152 S HA 0.354 4.828 4.470 0.006 0.000 0.270 152 S C 0.401 175.098 174.600 0.161 0.000 1.142 152 S CA -0.148 58.167 58.200 0.191 0.000 0.870 152 S CB 1.694 64.963 63.200 0.115 0.000 1.112 152 S HN 0.702 nan 8.310 nan 0.000 0.466 153 T N 0.305 114.933 114.554 0.124 0.000 3.081 153 T HA 0.398 4.752 4.350 0.006 0.000 0.250 153 T C 1.438 176.186 174.700 0.081 0.000 1.100 153 T CA 0.688 62.849 62.100 0.102 0.000 1.038 153 T CB -0.071 68.847 68.868 0.085 0.000 0.962 153 T HN 1.917 nan 8.240 nan 0.000 0.516 154 G N 2.139 110.980 108.800 0.068 0.000 2.143 154 G HA2 -0.138 3.826 3.960 0.006 0.000 0.249 154 G HA3 -0.138 3.826 3.960 0.006 0.000 0.249 154 G C -0.309 174.611 174.900 0.033 0.000 0.981 154 G CA 0.334 45.462 45.100 0.047 0.000 0.665 154 G HN 0.988 nan 8.290 nan 0.000 0.528 155 D N -3.054 117.368 120.400 0.036 0.000 2.838 155 D HA 0.692 5.336 4.640 0.006 0.000 0.334 155 D C 1.200 177.520 176.300 0.034 0.000 1.315 155 D CA 0.352 54.370 54.000 0.030 0.000 0.917 155 D CB 0.302 41.120 40.800 0.030 0.000 1.435 155 D HN 0.837 nan 8.370 nan 0.000 0.517 156 A N -0.384 122.455 122.820 0.032 0.000 2.125 156 A HA -0.152 4.171 4.320 0.006 0.000 0.219 156 A C 1.528 179.141 177.584 0.048 0.000 1.156 156 A CA 1.270 53.329 52.037 0.036 0.000 0.671 156 A CB -1.019 18.000 19.000 0.031 0.000 0.794 156 A HN 0.512 nan 8.150 nan 0.000 0.459 157 N N -0.872 117.858 118.700 0.049 0.000 2.104 157 N HA -0.098 4.646 4.740 0.006 0.000 0.190 157 N C -0.046 175.510 175.510 0.077 0.000 1.024 157 N CA 1.130 54.212 53.050 0.054 0.000 0.853 157 N CB -0.117 38.400 38.487 0.049 0.000 1.008 157 N HN 0.387 nan 8.380 nan 0.000 0.424 158 L N 0.421 121.700 121.223 0.094 0.000 2.492 158 L HA 0.320 4.664 4.340 0.006 0.000 0.259 158 L C -2.118 174.824 176.870 0.120 0.000 1.229 158 L CA -1.279 53.653 54.840 0.153 0.000 0.903 158 L CB 2.142 44.294 42.059 0.155 0.000 1.114 158 L HN -0.194 nan 8.230 nan 0.000 0.494 159 P HA 0.029 nan 4.420 nan 0.000 0.217 159 P C 0.739 177.931 177.300 -0.181 0.000 1.148 159 P CA 1.492 64.557 63.100 -0.057 0.000 0.828 159 P CB 0.205 31.854 31.700 -0.086 0.000 0.783 160 G N -1.354 107.200 108.800 -0.409 0.000 2.660 160 G HA2 -0.218 3.745 3.960 0.006 0.000 0.215 160 G HA3 -0.218 3.745 3.960 0.006 0.000 0.215 160 G C -0.216 174.149 174.900 -0.892 0.000 1.345 160 G CA -0.169 44.610 45.100 -0.534 0.000 0.877 160 G HN 0.144 nan 8.290 nan 0.000 0.549 161 N N -1.908 116.486 118.700 -0.509 0.000 2.713 161 N HA -0.238 4.506 4.740 0.006 0.000 0.251 161 N C 1.008 176.085 175.510 -0.723 0.000 1.117 161 N CA 2.023 54.778 53.050 -0.492 0.000 0.770 161 N CB -1.649 36.619 38.487 -0.365 0.000 1.137 161 N HN 0.737 nan 8.380 nan 0.000 0.566 162 Y N -0.121 119.913 120.300 -0.443 0.000 2.207 162 Y HA -0.140 4.412 4.550 0.004 0.000 0.287 162 Y C 2.595 178.228 175.900 -0.445 0.000 1.156 162 Y CA 1.519 59.390 58.100 -0.382 0.000 1.182 162 Y CB -0.557 37.733 38.460 -0.283 0.000 0.979 162 Y HN 0.267 nan 8.280 nan 0.000 0.521 163 G N 0.333 108.762 108.800 -0.619 0.000 2.418 163 G HA2 -0.212 3.752 3.960 0.006 0.000 0.217 163 G HA3 -0.212 3.752 3.960 0.006 0.000 0.217 163 G C 1.601 176.322 174.900 -0.299 0.000 1.158 163 G CA 1.104 45.936 45.100 -0.448 0.000 0.771 163 G HN 0.365 nan 8.290 nan 0.000 0.545 164 L N -0.339 120.636 121.223 -0.414 0.000 2.131 164 L HA -0.046 4.298 4.340 0.006 0.000 0.210 164 L C 3.128 179.609 176.870 -0.647 0.000 1.092 164 L CA 0.913 55.489 54.840 -0.441 0.000 0.759 164 L CB -0.364 41.386 42.059 -0.516 0.000 0.903 164 L HN 0.164 nan 8.230 nan 0.000 0.435 165 R N -0.023 120.059 120.500 -0.697 0.000 2.075 165 R HA -0.134 4.210 4.340 0.006 0.000 0.232 165 R C 1.938 178.179 176.300 -0.099 0.000 1.126 165 R CA 1.376 57.182 56.100 -0.489 0.000 0.963 165 R CB -0.311 29.760 30.300 -0.381 0.000 0.858 165 R HN 0.350 nan 8.270 nan 0.000 0.435 166 D N 0.929 121.315 120.400 -0.023 0.000 2.106 166 D HA -0.204 4.440 4.640 0.006 0.000 0.191 166 D C 1.989 178.376 176.300 0.145 0.000 0.997 166 D CA 1.378 55.492 54.000 0.190 0.000 0.834 166 D CB -0.370 40.613 40.800 0.305 0.000 0.956 166 D HN 0.314 nan 8.370 nan 0.000 0.448 167 Q N -0.518 119.328 119.800 0.077 0.000 2.133 167 Q HA -0.254 4.090 4.340 0.006 0.000 0.208 167 Q C 2.151 178.056 176.000 -0.158 0.000 0.991 167 Q CA 1.713 57.488 55.803 -0.046 0.000 0.867 167 Q CB -0.383 28.357 28.738 0.003 0.000 0.911 167 Q HN 0.488 nan 8.270 nan 0.000 0.417 168 H N 0.391 119.407 119.070 -0.089 0.000 2.353 168 H HA -0.087 4.473 4.556 0.006 0.000 0.300 168 H C 1.913 177.228 175.328 -0.022 0.000 1.090 168 H CA 1.714 57.768 56.048 0.011 0.000 1.327 168 H CB 0.002 29.848 29.762 0.141 0.000 1.383 168 H HN 0.094 nan 8.280 nan 0.000 0.508 169 M N 0.142 119.661 119.600 -0.134 0.000 2.108 169 M HA -0.110 4.374 4.480 0.006 0.000 0.261 169 M C 2.584 178.789 176.300 -0.157 0.000 1.066 169 M CA 1.561 56.817 55.300 -0.073 0.000 1.107 169 M CB -1.301 31.436 32.600 0.230 0.000 1.356 169 M HN 0.518 nan 8.290 nan 0.000 0.406 170 A N 0.116 122.579 122.820 -0.595 0.000 1.930 170 A HA -0.077 4.247 4.320 0.006 0.000 0.217 170 A C 2.204 179.461 177.584 -0.544 0.000 1.175 170 A CA 1.089 52.459 52.037 -1.111 0.000 0.627 170 A CB -0.746 16.878 19.000 -2.293 0.000 0.815 170 A HN 0.464 nan 8.150 nan 0.000 0.443 171 I N -0.287 120.013 120.570 -0.450 0.000 2.315 171 I HA -0.250 3.924 4.170 0.006 0.000 0.248 171 I C 2.907 178.944 176.117 -0.134 0.000 1.117 171 I CA 0.963 62.132 61.300 -0.219 0.000 1.404 171 I CB -0.284 37.648 38.000 -0.115 0.000 1.071 171 I HN 0.357 nan 8.210 nan 0.000 0.419 172 A N 0.127 122.833 122.820 -0.191 0.000 1.898 172 A HA -0.254 4.070 4.320 0.006 0.000 0.216 172 A C 2.110 179.664 177.584 -0.049 0.000 1.181 172 A CA 1.190 53.144 52.037 -0.139 0.000 0.620 172 A CB -1.169 17.686 19.000 -0.243 0.000 0.819 172 A HN 0.631 nan 8.150 nan 0.000 0.442 173 W N 0.725 121.930 121.300 -0.158 0.000 2.321 173 W HA -0.224 4.441 4.660 0.008 0.000 0.306 173 W C 1.953 178.415 176.519 -0.095 0.000 1.217 173 W CA 2.481 59.775 57.345 -0.086 0.000 1.257 173 W CB -0.238 29.197 29.460 -0.042 0.000 1.145 173 W HN 0.118 nan 8.180 nan 0.000 0.509 174 V N 1.142 121.163 119.914 0.177 0.000 2.343 174 V HA -0.332 3.791 4.120 0.006 0.000 0.247 174 V C 2.337 178.367 176.094 -0.106 0.000 1.051 174 V CA 2.358 64.697 62.300 0.066 0.000 1.036 174 V CB -1.134 30.739 31.823 0.083 0.000 0.654 174 V HN 0.159 nan 8.190 nan 0.000 0.451 175 K N 1.555 121.900 120.400 -0.092 0.000 2.063 175 K HA -0.212 4.112 4.320 0.006 0.000 0.208 175 K C 2.204 178.719 176.600 -0.141 0.000 1.048 175 K CA 2.011 58.243 56.287 -0.092 0.000 0.928 175 K CB -0.351 32.109 32.500 -0.066 0.000 0.713 175 K HN 0.603 nan 8.250 nan 0.000 0.442 176 R N -1.039 119.332 120.500 -0.215 0.000 2.246 176 R HA 0.137 4.481 4.340 0.006 0.000 0.199 176 R C 0.717 176.817 176.300 -0.335 0.000 0.984 176 R CA 1.437 57.393 56.100 -0.241 0.000 1.015 176 R CB -0.130 30.037 30.300 -0.222 0.000 0.930 176 R HN 0.191 nan 8.270 nan 0.000 0.475 177 N N -0.205 118.185 118.700 -0.516 0.000 2.210 177 N HA 0.103 4.847 4.740 0.006 0.000 0.203 177 N C 0.800 176.169 175.510 -0.235 0.000 1.175 177 N CA -0.205 52.507 53.050 -0.563 0.000 0.894 177 N CB 0.486 38.177 38.487 -1.327 0.000 1.041 177 N HN -0.012 nan 8.380 nan 0.000 0.506 178 I N 1.167 121.632 120.570 -0.174 0.000 3.241 178 I HA 0.030 4.203 4.170 0.006 0.000 0.280 178 I C 1.803 177.994 176.117 0.122 0.000 1.320 178 I CA 0.215 61.527 61.300 0.020 0.000 1.413 178 I CB -0.206 37.785 38.000 -0.014 0.000 1.060 178 I HN 0.145 nan 8.210 nan 0.000 0.500 179 A N 0.186 123.037 122.820 0.051 0.000 1.930 179 A HA 0.030 4.354 4.320 0.006 0.000 0.215 179 A C 2.502 180.128 177.584 0.070 0.000 1.176 179 A CA 1.155 53.222 52.037 0.049 0.000 0.632 179 A CB -0.939 18.062 19.000 0.002 0.000 0.819 179 A HN 0.429 nan 8.150 nan 0.000 0.445 180 A N -0.966 121.883 122.820 0.047 0.000 1.978 180 A HA -0.054 4.270 4.320 0.006 0.000 0.220 180 A C 1.701 179.216 177.584 -0.115 0.000 1.170 180 A CA 1.481 53.480 52.037 -0.063 0.000 0.636 180 A CB -0.756 18.137 19.000 -0.177 0.000 0.810 180 A HN 0.491 nan 8.150 nan 0.000 0.448 181 F N -1.089 118.850 119.950 -0.018 0.000 2.780 181 F HA 0.340 4.871 4.527 0.007 0.000 0.299 181 F C 1.854 177.687 175.800 0.056 0.000 1.146 181 F CA 0.699 58.705 58.000 0.011 0.000 1.428 181 F CB 0.045 39.022 39.000 -0.038 0.000 1.115 181 F HN 0.366 nan 8.300 nan 0.000 0.583 182 G N -0.067 108.848 108.800 0.191 0.000 2.148 182 G HA2 -0.112 3.852 3.960 0.006 0.000 0.203 182 G HA3 -0.112 3.852 3.960 0.006 0.000 0.203 182 G C 0.459 175.432 174.900 0.121 0.000 0.993 182 G CA -0.367 44.815 45.100 0.137 0.000 0.661 182 G HN 0.711 nan 8.290 nan 0.000 0.518 183 G N -0.463 108.413 108.800 0.128 0.000 2.412 183 G HA2 0.520 4.484 3.960 0.006 0.000 0.318 183 G HA3 0.520 4.484 3.960 0.006 0.000 0.318 183 G C -0.826 174.105 174.900 0.053 0.000 1.146 183 G CA 0.117 45.271 45.100 0.089 0.000 0.882 183 G HN 0.251 nan 8.290 nan 0.000 0.501 184 D N 1.711 122.132 120.400 0.035 0.000 2.380 184 D HA 0.239 4.883 4.640 0.006 0.000 0.230 184 D C -0.793 175.510 176.300 0.005 0.000 1.154 184 D CA -2.334 51.675 54.000 0.015 0.000 0.859 184 D CB 1.703 42.507 40.800 0.007 0.000 1.045 184 D HN 0.069 nan 8.370 nan 0.000 0.495 185 P HA -0.111 nan 4.420 nan 0.000 0.221 185 P C 0.073 177.363 177.300 -0.017 0.000 1.145 185 P CA 0.772 63.862 63.100 -0.016 0.000 0.795 185 P CB 0.441 32.121 31.700 -0.032 0.000 0.775 186 D N -0.602 119.788 120.400 -0.016 0.000 2.325 186 D HA 0.020 4.663 4.640 0.006 0.000 0.234 186 D C 0.538 176.823 176.300 -0.025 0.000 1.122 186 D CA 0.403 54.391 54.000 -0.020 0.000 0.850 186 D CB -0.511 40.278 40.800 -0.019 0.000 0.921 186 D HN 0.145 nan 8.370 nan 0.000 0.513 187 N N 0.647 119.333 118.700 -0.023 0.000 2.598 187 N HA 0.133 4.876 4.740 0.006 0.000 0.295 187 N C -0.879 174.614 175.510 -0.029 0.000 1.729 187 N CA -0.223 52.804 53.050 -0.038 0.000 0.877 187 N CB 0.209 38.673 38.487 -0.039 0.000 1.405 187 N HN -0.023 nan 8.380 nan 0.000 0.491 188 I N 0.862 121.424 120.570 -0.012 0.000 2.471 188 I HA 0.127 4.301 4.170 0.006 0.000 0.286 188 I C 0.135 176.259 176.117 0.013 0.000 1.079 188 I CA 0.354 61.663 61.300 0.014 0.000 1.398 188 I CB 0.975 38.989 38.000 0.024 0.000 1.403 188 I HN 0.007 nan 8.210 nan 0.000 0.530 189 T N 7.646 122.218 114.554 0.031 0.000 2.792 189 T HA 0.528 4.882 4.350 0.006 0.000 0.280 189 T C -0.176 174.622 174.700 0.164 0.000 0.990 189 T CA -0.533 61.594 62.100 0.045 0.000 0.960 189 T CB 0.907 69.756 68.868 -0.031 0.000 0.939 189 T HN 0.261 nan 8.240 nan 0.000 0.439 190 L N 5.144 126.495 121.223 0.212 0.000 2.307 190 L HA 0.742 5.086 4.340 0.006 0.000 0.282 190 L C -0.340 176.802 176.870 0.453 0.000 1.051 190 L CA -0.961 54.069 54.840 0.317 0.000 0.804 190 L CB 0.616 42.798 42.059 0.205 0.000 1.197 190 L HN 0.702 nan 8.230 nan 0.000 0.431 191 F N -0.050 120.015 119.950 0.192 0.000 2.601 191 F HA 0.960 5.492 4.527 0.009 0.000 0.309 191 F C -0.206 175.555 175.800 -0.064 0.000 1.089 191 F CA -0.791 57.333 58.000 0.206 0.000 0.940 191 F CB 2.295 41.541 39.000 0.410 0.000 1.273 191 F HN 0.531 nan 8.300 nan 0.000 0.450 192 G N 1.221 109.827 108.800 -0.323 0.000 2.547 192 G HA2 0.440 4.404 3.960 0.006 0.000 0.291 192 G HA3 0.440 4.404 3.960 0.006 0.000 0.291 192 G C -2.708 171.943 174.900 -0.416 0.000 1.471 192 G CA -0.719 43.728 45.100 -1.087 0.000 0.798 192 G HN 0.826 nan 8.290 nan 0.000 0.504 193 E N 0.391 120.364 120.200 -0.378 0.000 2.256 193 E HA 0.674 5.028 4.350 0.006 0.000 0.267 193 E C 0.773 177.402 176.600 0.050 0.000 0.892 193 E CA 0.232 56.660 56.400 0.046 0.000 0.775 193 E CB 2.099 31.950 29.700 0.250 0.000 1.207 193 E HN 0.697 nan 8.360 nan 0.000 0.420 194 S N 2.066 117.889 115.700 0.205 0.000 4.139 194 S HA -0.390 4.084 4.470 0.006 0.000 0.603 194 S C 1.428 176.217 174.600 0.314 0.000 1.897 194 S CA 2.027 60.438 58.200 0.352 0.000 4.241 194 S CB -1.572 61.771 63.200 0.238 0.000 0.221 194 S HN 0.886 nan 8.310 nan 0.000 0.488 195 A N 1.031 123.863 122.820 0.020 0.000 2.019 195 A HA 0.166 4.490 4.320 0.006 0.000 0.219 195 A C 2.338 179.754 177.584 -0.280 0.000 1.164 195 A CA 2.367 54.181 52.037 -0.373 0.000 0.644 195 A CB -1.412 16.989 19.000 -0.998 0.000 0.805 195 A HN 1.361 nan 8.150 nan 0.000 0.449 196 G N -0.452 108.225 108.800 -0.205 0.000 2.421 196 G HA2 0.033 3.996 3.960 0.006 0.000 0.216 196 G HA3 0.033 3.996 3.960 0.006 0.000 0.216 196 G C 1.501 176.275 174.900 -0.210 0.000 1.171 196 G CA 1.161 46.062 45.100 -0.330 0.000 0.775 196 G HN 0.667 nan 8.290 nan 0.000 0.543 197 G N 0.831 109.598 108.800 -0.053 0.000 2.421 197 G HA2 0.135 4.099 3.960 0.006 0.000 0.217 197 G HA3 0.135 4.099 3.960 0.006 0.000 0.217 197 G C 1.994 176.942 174.900 0.079 0.000 1.143 197 G CA 1.389 46.522 45.100 0.055 0.000 0.784 197 G HN 0.617 nan 8.290 nan 0.000 0.541 198 A N 0.827 123.699 122.820 0.087 0.000 1.898 198 A HA 0.050 4.373 4.320 0.006 0.000 0.216 198 A C 2.687 180.312 177.584 0.069 0.000 1.181 198 A CA 2.142 54.209 52.037 0.049 0.000 0.620 198 A CB -0.588 18.430 19.000 0.031 0.000 0.819 198 A HN 0.285 nan 8.150 nan 0.000 0.442 199 S N -0.475 115.256 115.700 0.052 0.000 2.356 199 S HA -0.139 4.334 4.470 0.006 0.000 0.223 199 S C 1.907 176.514 174.600 0.012 0.000 1.032 199 S CA 1.409 59.630 58.200 0.035 0.000 1.005 199 S CB -0.486 62.650 63.200 -0.108 0.000 0.867 199 S HN 0.327 nan 8.310 nan 0.000 0.449 200 V N 1.265 121.176 119.914 -0.005 0.000 2.332 200 V HA -0.185 3.939 4.120 0.006 0.000 0.248 200 V C 2.603 178.717 176.094 0.033 0.000 1.055 200 V CA 2.066 64.389 62.300 0.038 0.000 1.038 200 V CB -0.747 31.127 31.823 0.084 0.000 0.651 200 V HN 0.570 nan 8.190 nan 0.000 0.450 201 S N -0.722 115.001 115.700 0.038 0.000 2.356 201 S HA -0.137 4.337 4.470 0.006 0.000 0.223 201 S C 1.953 176.492 174.600 -0.103 0.000 1.032 201 S CA 1.639 59.820 58.200 -0.032 0.000 1.005 201 S CB -0.294 62.927 63.200 0.036 0.000 0.867 201 S HN 0.502 nan 8.310 nan 0.000 0.449 202 L N 1.186 122.386 121.223 -0.038 0.000 2.046 202 L HA -0.120 4.224 4.340 0.006 0.000 0.208 202 L C 3.004 179.852 176.870 -0.037 0.000 1.077 202 L CA 1.164 55.983 54.840 -0.035 0.000 0.747 202 L CB -0.521 41.569 42.059 0.052 0.000 0.896 202 L HN 0.351 nan 8.230 nan 0.000 0.432 203 Q N -0.458 119.354 119.800 0.020 0.000 2.124 203 Q HA -0.180 4.164 4.340 0.006 0.000 0.202 203 Q C 2.324 178.280 176.000 -0.074 0.000 0.977 203 Q CA 2.144 57.965 55.803 0.030 0.000 0.850 203 Q CB -0.722 28.067 28.738 0.085 0.000 0.901 203 Q HN 0.652 nan 8.270 nan 0.000 0.429 204 T N -1.665 112.822 114.554 -0.110 0.000 2.962 204 T HA -0.009 4.344 4.350 0.006 0.000 0.270 204 T C 1.847 176.411 174.700 -0.227 0.000 1.088 204 T CA 0.617 62.621 62.100 -0.159 0.000 1.127 204 T CB -0.201 68.530 68.868 -0.228 0.000 0.883 204 T HN 0.162 nan 8.240 nan 0.000 0.493 205 L N 1.046 122.105 121.223 -0.274 0.000 2.509 205 L HA 0.274 4.618 4.340 0.006 0.000 0.222 205 L C 1.482 178.184 176.870 -0.281 0.000 1.123 205 L CA -0.146 54.500 54.840 -0.323 0.000 0.856 205 L CB -0.098 41.731 42.059 -0.382 0.000 0.985 205 L HN 0.239 nan 8.230 nan 0.000 0.456 206 S N 0.881 116.394 115.700 -0.311 0.000 2.537 206 S HA 0.249 4.723 4.470 0.006 0.000 0.275 206 S C -1.319 173.081 174.600 -0.333 0.000 1.272 206 S CA -1.457 56.480 58.200 -0.440 0.000 1.050 206 S CB 1.073 63.709 63.200 -0.940 0.000 0.961 206 S HN -0.038 nan 8.310 nan 0.000 0.496 207 P HA -0.063 nan 4.420 nan 0.000 0.230 207 P C 0.578 177.708 177.300 -0.283 0.000 1.158 207 P CA 0.821 63.773 63.100 -0.247 0.000 0.769 207 P CB -0.098 31.460 31.700 -0.237 0.000 0.807 208 Y N 0.852 120.895 120.300 -0.428 0.000 2.403 208 Y HA -0.058 4.497 4.550 0.009 0.000 0.291 208 Y C 1.812 177.579 175.900 -0.221 0.000 1.143 208 Y CA 1.078 58.939 58.100 -0.398 0.000 1.257 208 Y CB -0.728 37.311 38.460 -0.701 0.000 0.984 208 Y HN 0.014 nan 8.280 nan 0.000 0.550 209 N N 0.483 119.147 118.700 -0.060 0.000 2.295 209 N HA 0.018 4.762 4.740 0.006 0.000 0.221 209 N C -0.417 175.097 175.510 0.007 0.000 1.129 209 N CA 0.112 53.197 53.050 0.058 0.000 0.836 209 N CB 0.034 38.550 38.487 0.048 0.000 1.040 209 N HN 0.261 nan 8.380 nan 0.000 0.494 210 K N 0.219 120.597 120.400 -0.037 0.000 2.511 210 K HA 0.059 4.383 4.320 0.006 0.000 0.280 210 K C 1.085 177.675 176.600 -0.017 0.000 1.008 210 K CA 0.668 56.928 56.287 -0.045 0.000 1.050 210 K CB 0.217 32.677 32.500 -0.067 0.000 0.889 210 K HN 0.249 nan 8.250 nan 0.000 0.484 211 G N 2.475 111.264 108.800 -0.020 0.000 2.166 211 G HA2 -0.272 3.692 3.960 0.006 0.000 0.260 211 G HA3 -0.272 3.692 3.960 0.006 0.000 0.260 211 G C 0.546 175.444 174.900 -0.004 0.000 0.986 211 G CA 0.347 45.439 45.100 -0.014 0.000 0.683 211 G HN 0.588 nan 8.290 nan 0.000 0.527 212 L N -1.018 120.210 121.223 0.009 0.000 2.467 212 L HA 0.432 4.776 4.340 0.006 0.000 0.213 212 L C 1.332 178.208 176.870 0.010 0.000 1.053 212 L CA 0.313 55.162 54.840 0.015 0.000 0.847 212 L CB 0.145 42.232 42.059 0.047 0.000 1.075 212 L HN 0.195 nan 8.230 nan 0.000 0.479 213 I N -0.126 120.451 120.570 0.012 0.000 2.336 213 I HA 0.174 4.348 4.170 0.006 0.000 0.292 213 I C 0.907 177.024 176.117 0.001 0.000 0.991 213 I CA -0.233 61.075 61.300 0.014 0.000 1.227 213 I CB 1.906 39.917 38.000 0.019 0.000 1.366 213 I HN -0.025 nan 8.210 nan 0.000 0.466 214 R N 5.460 125.955 120.500 -0.008 0.000 2.146 214 R HA 0.269 4.613 4.340 0.006 0.000 0.206 214 R C 0.026 176.306 176.300 -0.034 0.000 1.049 214 R CA 0.972 57.054 56.100 -0.029 0.000 1.029 214 R CB 0.453 30.721 30.300 -0.054 0.000 0.949 214 R HN 0.634 nan 8.270 nan 0.000 0.471 215 R N -1.444 119.039 120.500 -0.028 0.000 2.781 215 R HA 0.777 5.121 4.340 0.006 0.000 0.269 215 R C -1.537 174.843 176.300 0.134 0.000 1.025 215 R CA -0.765 55.336 56.100 0.001 0.000 0.914 215 R CB 1.666 31.783 30.300 -0.304 0.000 1.236 215 R HN 0.062 nan 8.270 nan 0.000 0.465 216 A N 1.018 124.024 122.820 0.311 0.000 2.606 216 A HA 0.785 5.109 4.320 0.006 0.000 0.293 216 A C -1.376 176.459 177.584 0.419 0.000 1.082 216 A CA -0.783 51.460 52.037 0.343 0.000 0.685 216 A CB 1.640 20.787 19.000 0.246 0.000 1.284 216 A HN 0.607 nan 8.150 nan 0.000 0.408 217 I N 1.116 121.864 120.570 0.296 0.000 2.534 217 I HA 0.315 4.488 4.170 0.006 0.000 0.286 217 I C -0.397 175.834 176.117 0.189 0.000 1.094 217 I CA -0.242 61.111 61.300 0.089 0.000 1.055 217 I CB 2.345 40.350 38.000 0.008 0.000 1.225 217 I HN 0.460 nan 8.210 nan 0.000 0.435 218 S N 5.645 121.393 115.700 0.081 0.000 2.448 218 S HA 0.362 4.836 4.470 0.006 0.000 0.320 218 S C -0.457 174.256 174.600 0.187 0.000 1.071 218 S CA -0.593 57.695 58.200 0.148 0.000 1.113 218 S CB 0.933 64.226 63.200 0.155 0.000 0.972 218 S HN 0.479 nan 8.310 nan 0.000 0.465 219 Q N 1.837 121.810 119.800 0.288 0.000 2.390 219 Q HA 0.367 4.711 4.340 0.006 0.000 0.249 219 Q C -0.239 175.927 176.000 0.277 0.000 0.996 219 Q CA -0.486 55.550 55.803 0.388 0.000 0.899 219 Q CB 0.941 29.959 28.738 0.466 0.000 1.216 219 Q HN 0.725 nan 8.270 nan 0.000 0.465 220 S N 1.481 117.321 115.700 0.234 0.000 3.697 220 S HA -0.109 4.365 4.470 0.006 0.000 0.388 220 S C 0.004 174.929 174.600 0.542 0.000 0.941 220 S CA 0.484 58.850 58.200 0.277 0.000 1.247 220 S CB -1.219 62.047 63.200 0.109 0.000 0.904 220 S HN 1.052 nan 8.310 nan 0.000 0.518 221 G N -0.732 108.318 108.800 0.418 0.000 2.050 221 G HA2 0.486 4.450 3.960 0.006 0.000 0.274 221 G HA3 0.486 4.450 3.960 0.006 0.000 0.274 221 G C -0.839 174.152 174.900 0.152 0.000 1.733 221 G CA 0.012 45.348 45.100 0.394 0.000 0.905 221 G HN 1.449 nan 8.290 nan 0.000 0.728 222 V N -0.127 119.791 119.914 0.008 0.000 3.141 222 V HA 0.929 5.053 4.120 0.006 0.000 0.312 222 V C 1.330 177.355 176.094 -0.114 0.000 1.157 222 V CA -0.103 62.208 62.300 0.018 0.000 1.041 222 V CB 1.387 33.256 31.823 0.077 0.000 1.071 222 V HN 2.012 nan 8.190 nan 0.000 0.441 223 A N 0.261 123.047 122.820 -0.056 0.000 2.178 223 A HA 0.103 4.426 4.320 0.006 0.000 0.218 223 A C 1.547 179.040 177.584 -0.151 0.000 1.157 223 A CA 1.622 53.596 52.037 -0.105 0.000 0.689 223 A CB -0.792 18.165 19.000 -0.072 0.000 0.787 223 A HN 0.866 nan 8.150 nan 0.000 0.465 224 L N -0.699 120.441 121.223 -0.138 0.000 2.529 224 L HA 0.084 4.428 4.340 0.006 0.000 0.223 224 L C 0.649 177.333 176.870 -0.309 0.000 1.113 224 L CA -0.290 54.452 54.840 -0.164 0.000 0.861 224 L CB -0.245 41.761 42.059 -0.088 0.000 1.012 224 L HN 0.105 nan 8.230 nan 0.000 0.461 225 S N 2.051 117.463 115.700 -0.480 0.000 2.552 225 S HA 0.019 4.493 4.470 0.006 0.000 0.289 225 S C -1.057 173.093 174.600 -0.750 0.000 1.304 225 S CA -0.831 56.922 58.200 -0.744 0.000 1.063 225 S CB 0.709 63.141 63.200 -1.281 0.000 0.848 225 S HN 0.131 nan 8.310 nan 0.000 0.499 226 P HA -0.117 nan 4.420 nan 0.000 0.219 226 P C 1.352 178.502 177.300 -0.250 0.000 1.146 226 P CA 1.333 64.240 63.100 -0.322 0.000 0.808 226 P CB -0.096 31.486 31.700 -0.195 0.000 0.779 227 W N -0.518 120.674 121.300 -0.179 0.000 2.800 227 W HA 0.097 4.762 4.660 0.007 0.000 0.249 227 W C 1.289 177.765 176.519 -0.073 0.000 1.294 227 W CA -0.056 57.209 57.345 -0.134 0.000 1.402 227 W CB -1.686 27.691 29.460 -0.138 0.000 1.126 227 W HN -0.230 nan 8.180 nan 0.000 0.652 228 V N 2.080 121.795 119.914 -0.331 0.000 2.379 228 V HA -0.170 3.954 4.120 0.006 0.000 0.245 228 V C 1.359 177.317 176.094 -0.226 0.000 1.044 228 V CA 1.139 63.320 62.300 -0.199 0.000 1.036 228 V CB -0.466 31.133 31.823 -0.373 0.000 0.664 228 V HN -0.123 nan 8.190 nan 0.000 0.453 229 I N 1.218 121.661 120.570 -0.213 0.000 2.359 229 I HA 0.350 4.524 4.170 0.006 0.000 0.294 229 I C -0.017 176.002 176.117 -0.164 0.000 0.987 229 I CA -0.439 60.750 61.300 -0.184 0.000 1.225 229 I CB 1.195 39.110 38.000 -0.142 0.000 1.366 229 I HN 0.203 nan 8.210 nan 0.000 0.466 230 Q N 5.966 125.663 119.800 -0.172 0.000 2.377 230 Q HA 0.194 4.537 4.340 0.006 0.000 0.249 230 Q C 0.546 176.504 176.000 -0.071 0.000 1.005 230 Q CA 0.168 55.879 55.803 -0.153 0.000 0.912 230 Q CB 0.920 29.534 28.738 -0.207 0.000 1.223 230 Q HN 0.442 nan 8.270 nan 0.000 0.459 231 K N 2.593 122.965 120.400 -0.047 0.000 2.103 231 K HA -0.052 4.272 4.320 0.006 0.000 0.204 231 K C 0.238 176.846 176.600 0.014 0.000 1.052 231 K CA 0.988 57.261 56.287 -0.023 0.000 0.945 231 K CB 0.376 32.856 32.500 -0.033 0.000 0.722 231 K HN 0.353 nan 8.250 nan 0.000 0.443 232 N N 0.358 119.098 118.700 0.067 0.000 2.886 232 N HA 0.109 4.852 4.740 0.006 0.000 0.285 232 N C -2.147 173.515 175.510 0.254 0.000 1.706 232 N CA -2.083 51.038 53.050 0.117 0.000 0.904 232 N CB 0.951 39.478 38.487 0.067 0.000 1.224 232 N HN -0.148 nan 8.380 nan 0.000 0.488 233 P HA -0.202 nan 4.420 nan 0.000 0.215 233 P C 1.673 179.134 177.300 0.267 0.000 1.153 233 P CA 0.497 63.733 63.100 0.228 0.000 0.853 233 P CB 0.483 32.258 31.700 0.124 0.000 0.788 234 L N -0.589 120.745 121.223 0.186 0.000 2.021 234 L HA -0.203 4.141 4.340 0.006 0.000 0.215 234 L C 2.411 179.373 176.870 0.153 0.000 1.074 234 L CA 2.171 57.102 54.840 0.152 0.000 0.760 234 L CB -1.720 40.405 42.059 0.110 0.000 0.889 234 L HN -0.096 nan 8.230 nan 0.000 0.433 235 F N 0.104 120.046 119.950 -0.014 0.000 2.043 235 F HA -0.290 4.249 4.527 0.019 0.000 0.297 235 F C 2.132 177.816 175.800 -0.193 0.000 1.118 235 F CA 2.201 60.103 58.000 -0.164 0.000 1.202 235 F CB -1.160 37.654 39.000 -0.310 0.000 0.965 235 F HN 0.120 nan 8.300 nan 0.000 0.482 236 W N 0.464 121.604 121.300 -0.266 0.000 2.318 236 W HA -0.161 4.482 4.660 -0.027 0.000 0.313 236 W C 2.717 179.171 176.519 -0.109 0.000 1.221 236 W CA 2.160 59.277 57.345 -0.379 0.000 1.266 236 W CB -1.348 27.872 29.460 -0.400 0.000 1.150 236 W HN 0.163 nan 8.180 nan 0.000 0.496 237 A N 0.069 123.028 122.820 0.232 0.000 2.019 237 A HA -0.202 4.122 4.320 0.006 0.000 0.219 237 A C 1.891 179.527 177.584 0.087 0.000 1.164 237 A CA 1.794 53.957 52.037 0.209 0.000 0.644 237 A CB -0.557 18.551 19.000 0.180 0.000 0.805 237 A HN 0.358 nan 8.150 nan 0.000 0.449 238 K N -0.751 119.641 120.400 -0.013 0.000 2.076 238 K HA -0.059 4.265 4.320 0.006 0.000 0.204 238 K C 2.066 178.612 176.600 -0.090 0.000 1.051 238 K CA 1.230 57.487 56.287 -0.049 0.000 0.949 238 K CB -0.105 32.355 32.500 -0.067 0.000 0.726 238 K HN 0.169 nan 8.250 nan 0.000 0.443 239 K N 0.841 121.103 120.400 -0.230 0.000 2.044 239 K HA -0.142 4.182 4.320 0.006 0.000 0.210 239 K C 1.884 178.491 176.600 0.010 0.000 1.049 239 K CA 1.219 57.386 56.287 -0.200 0.000 0.927 239 K CB -0.496 31.764 32.500 -0.400 0.000 0.713 239 K HN -0.067 nan 8.250 nan 0.000 0.443 240 V N 0.549 120.524 119.914 0.102 0.000 2.295 240 V HA -0.260 3.864 4.120 0.006 0.000 0.246 240 V C 2.221 178.361 176.094 0.078 0.000 1.049 240 V CA 1.927 64.314 62.300 0.145 0.000 1.024 240 V CB -0.970 30.960 31.823 0.178 0.000 0.648 240 V HN 0.395 nan 8.190 nan 0.000 0.447 241 A N 0.143 122.997 122.820 0.056 0.000 1.884 241 A HA -0.323 4.001 4.320 0.006 0.000 0.219 241 A C 2.138 179.740 177.584 0.030 0.000 1.197 241 A CA 2.383 54.442 52.037 0.037 0.000 0.637 241 A CB -0.650 18.368 19.000 0.030 0.000 0.827 241 A HN 0.666 nan 8.150 nan 0.000 0.450 242 E N -0.520 119.693 120.200 0.022 0.000 2.021 242 E HA -0.234 4.120 4.350 0.006 0.000 0.200 242 E C 2.075 178.695 176.600 0.034 0.000 1.015 242 E CA 1.324 57.738 56.400 0.022 0.000 0.824 242 E CB -0.245 29.463 29.700 0.013 0.000 0.762 242 E HN 0.305 nan 8.360 nan 0.000 0.454 243 K N 0.632 121.060 120.400 0.048 0.000 2.173 243 K HA -0.151 4.173 4.320 0.006 0.000 0.207 243 K C 2.081 178.709 176.600 0.047 0.000 1.046 243 K CA 1.466 57.788 56.287 0.058 0.000 0.929 243 K CB -0.251 32.302 32.500 0.089 0.000 0.720 243 K HN 0.267 nan 8.250 nan 0.000 0.453 244 V N -4.342 115.597 119.914 0.042 0.000 3.621 244 V HA 0.381 4.505 4.120 0.006 0.000 0.285 244 V C 1.073 177.181 176.094 0.024 0.000 1.346 244 V CA 0.669 62.988 62.300 0.032 0.000 1.104 244 V CB 0.206 32.046 31.823 0.028 0.000 0.913 244 V HN 0.325 nan 8.190 nan 0.000 0.432 245 G N -0.425 108.390 108.800 0.024 0.000 2.217 245 G HA2 -0.265 3.699 3.960 0.006 0.000 0.246 245 G HA3 -0.265 3.699 3.960 0.006 0.000 0.246 245 G C 0.370 175.281 174.900 0.018 0.000 0.990 245 G CA -0.034 45.078 45.100 0.020 0.000 0.627 245 G HN 0.670 nan 8.290 nan 0.000 0.522 246 c N 3.611 122.223 118.600 0.019 0.000 2.689 246 c HA 0.523 5.097 4.570 0.006 0.000 0.409 246 c C -0.969 173.132 174.090 0.018 0.000 1.293 246 c CA -0.705 55.635 56.329 0.018 0.000 2.136 246 c CB 0.717 43.238 42.510 0.020 0.000 2.719 246 c HN 0.493 nan 8.230 nan 0.000 0.644 247 P HA 0.167 nan 4.420 nan 0.000 0.281 247 P C -0.117 177.195 177.300 0.019 0.000 1.252 247 P CA 0.210 63.320 63.100 0.017 0.000 0.778 247 P CB 0.783 32.492 31.700 0.016 0.000 0.895 248 V N 0.892 120.817 119.914 0.019 0.000 2.955 248 V HA 0.465 4.589 4.120 0.006 0.000 0.379 248 V C 1.161 177.268 176.094 0.022 0.000 1.288 248 V CA 0.709 63.022 62.300 0.021 0.000 1.358 248 V CB -0.175 31.658 31.823 0.017 0.000 1.406 248 V HN 0.575 nan 8.190 nan 0.000 0.569 249 G N 0.778 109.590 108.800 0.021 0.000 2.645 249 G HA2 0.087 4.050 3.960 0.006 0.000 0.207 249 G HA3 0.087 4.050 3.960 0.006 0.000 0.207 249 G C 0.057 174.970 174.900 0.021 0.000 1.145 249 G CA 0.414 45.526 45.100 0.020 0.000 0.831 249 G HN 0.561 nan 8.290 nan 0.000 0.563 250 D N -0.053 120.360 120.400 0.021 0.000 2.303 250 D HA 0.597 5.241 4.640 0.006 0.000 0.236 250 D C 1.352 177.668 176.300 0.027 0.000 1.068 250 D CA 0.077 54.090 54.000 0.022 0.000 0.830 250 D CB 1.655 42.467 40.800 0.019 0.000 1.109 250 D HN 0.085 nan 8.370 nan 0.000 0.496 251 A N 3.830 126.668 122.820 0.030 0.000 1.917 251 A HA -0.145 4.179 4.320 0.006 0.000 0.219 251 A C 2.035 179.640 177.584 0.036 0.000 1.182 251 A CA 2.203 54.262 52.037 0.037 0.000 0.633 251 A CB -0.757 18.266 19.000 0.039 0.000 0.819 251 A HN 0.652 nan 8.150 nan 0.000 0.448 252 A N -0.887 121.951 122.820 0.030 0.000 1.968 252 A HA -0.046 4.278 4.320 0.006 0.000 0.217 252 A C 2.226 179.824 177.584 0.024 0.000 1.169 252 A CA 1.307 53.361 52.037 0.028 0.000 0.638 252 A CB -0.348 18.667 19.000 0.024 0.000 0.812 252 A HN 0.539 nan 8.150 nan 0.000 0.446 253 R N -0.598 119.915 120.500 0.022 0.000 2.090 253 R HA -0.076 4.268 4.340 0.006 0.000 0.228 253 R C 2.373 178.685 176.300 0.020 0.000 1.110 253 R CA 1.669 57.781 56.100 0.019 0.000 0.973 253 R CB -0.440 29.870 30.300 0.017 0.000 0.869 253 R HN 0.812 nan 8.270 nan 0.000 0.440 254 M N -0.923 118.691 119.600 0.025 0.000 2.319 254 M HA 0.111 4.595 4.480 0.006 0.000 0.265 254 M C 2.058 178.375 176.300 0.028 0.000 1.068 254 M CA 1.821 57.137 55.300 0.027 0.000 1.118 254 M CB 0.021 32.640 32.600 0.032 0.000 1.395 254 M HN 0.021 nan 8.290 nan 0.000 0.435 255 A N 0.431 123.270 122.820 0.032 0.000 1.929 255 A HA -0.106 4.217 4.320 0.006 0.000 0.216 255 A C 2.026 179.620 177.584 0.017 0.000 1.176 255 A CA 1.584 53.641 52.037 0.033 0.000 0.628 255 A CB -0.597 18.430 19.000 0.044 0.000 0.816 255 A HN 0.663 nan 8.150 nan 0.000 0.444 256 Q N -1.507 118.301 119.800 0.014 0.000 2.245 256 Q HA -0.073 4.271 4.340 0.006 0.000 0.201 256 Q C 2.112 178.112 176.000 0.001 0.000 0.955 256 Q CA 1.195 57.002 55.803 0.005 0.000 0.870 256 Q CB -0.387 28.355 28.738 0.007 0.000 0.945 256 Q HN 0.775 nan 8.270 nan 0.000 0.461 257 c N -0.372 118.231 118.600 0.006 0.000 2.466 257 c HA -0.013 4.561 4.570 0.006 0.000 0.278 257 c C 2.243 176.333 174.090 -0.001 0.000 1.288 257 c CA 0.422 56.753 56.329 0.004 0.000 1.722 257 c CB -0.866 41.650 42.510 0.010 0.000 2.017 257 c HN 0.523 nan 8.230 nan 0.000 0.488 258 L N 0.798 122.022 121.223 0.001 0.000 2.046 258 L HA -0.138 4.206 4.340 0.006 0.000 0.208 258 L C 2.771 179.623 176.870 -0.030 0.000 1.077 258 L CA 1.740 56.575 54.840 -0.008 0.000 0.747 258 L CB -0.640 41.420 42.059 0.003 0.000 0.896 258 L HN 0.343 nan 8.230 nan 0.000 0.432 259 K N -0.760 119.619 120.400 -0.034 0.000 2.281 259 K HA -0.154 4.170 4.320 0.006 0.000 0.203 259 K C 1.881 178.454 176.600 -0.045 0.000 1.046 259 K CA 1.098 57.352 56.287 -0.055 0.000 0.938 259 K CB -0.081 32.390 32.500 -0.049 0.000 0.737 259 K HN 0.190 nan 8.250 nan 0.000 0.458 260 V N 0.777 120.674 119.914 -0.028 0.000 3.431 260 V HA -0.012 4.111 4.120 0.006 0.000 0.253 260 V C 0.367 176.449 176.094 -0.019 0.000 1.184 260 V CA 0.397 62.684 62.300 -0.022 0.000 1.104 260 V CB 0.393 32.208 31.823 -0.013 0.000 0.799 260 V HN 0.156 nan 8.190 nan 0.000 0.462 261 T N 2.028 116.572 114.554 -0.017 0.000 2.908 261 T HA -0.029 4.324 4.350 0.006 0.000 0.325 261 T C -0.116 174.574 174.700 -0.018 0.000 1.092 261 T CA 0.477 62.569 62.100 -0.012 0.000 1.125 261 T CB 0.230 69.092 68.868 -0.009 0.000 1.016 261 T HN 0.563 nan 8.240 nan 0.000 0.550 262 D N 3.166 123.559 120.400 -0.011 0.000 2.472 262 D HA 0.006 4.650 4.640 0.006 0.000 0.248 262 D C -0.995 175.294 176.300 -0.018 0.000 1.174 262 D CA -1.914 52.080 54.000 -0.011 0.000 0.883 262 D CB 0.897 41.696 40.800 -0.002 0.000 1.149 262 D HN 0.127 nan 8.370 nan 0.000 0.488 263 P HA -0.198 nan 4.420 nan 0.000 0.216 263 P C 1.181 178.465 177.300 -0.027 0.000 1.150 263 P CA 1.219 64.297 63.100 -0.037 0.000 0.843 263 P CB 0.254 31.930 31.700 -0.039 0.000 0.787 264 R N -0.312 120.182 120.500 -0.011 0.000 2.092 264 R HA -0.005 4.339 4.340 0.006 0.000 0.231 264 R C 2.521 178.826 176.300 0.008 0.000 1.119 264 R CA 1.380 57.481 56.100 0.003 0.000 0.970 264 R CB -0.852 29.456 30.300 0.013 0.000 0.864 264 R HN 0.153 nan 8.270 nan 0.000 0.440 265 A N 1.178 124.002 122.820 0.006 0.000 1.898 265 A HA -0.106 4.218 4.320 0.006 0.000 0.216 265 A C 2.149 179.740 177.584 0.012 0.000 1.181 265 A CA 1.043 53.088 52.037 0.014 0.000 0.620 265 A CB -0.467 18.540 19.000 0.013 0.000 0.819 265 A HN 0.162 nan 8.150 nan 0.000 0.442 266 L N -0.733 120.484 121.223 -0.011 0.000 2.046 266 L HA -0.165 4.179 4.340 0.006 0.000 0.208 266 L C 2.781 179.618 176.870 -0.055 0.000 1.077 266 L CA 1.753 56.571 54.840 -0.036 0.000 0.747 266 L CB -0.915 41.104 42.059 -0.067 0.000 0.896 266 L HN 0.337 nan 8.230 nan 0.000 0.432 267 T N 0.153 114.683 114.554 -0.040 0.000 2.746 267 T HA -0.155 4.199 4.350 0.006 0.000 0.267 267 T C 1.801 176.518 174.700 0.028 0.000 1.039 267 T CA 1.265 63.349 62.100 -0.025 0.000 1.142 267 T CB -0.166 68.699 68.868 -0.004 0.000 0.866 267 T HN 0.202 nan 8.240 nan 0.000 0.444 268 L N 0.465 121.714 121.223 0.043 0.000 2.558 268 L HA 0.246 4.589 4.340 0.006 0.000 0.225 268 L C 2.685 179.611 176.870 0.094 0.000 1.128 268 L CA 0.006 54.887 54.840 0.068 0.000 0.868 268 L CB -0.562 41.529 42.059 0.053 0.000 1.006 268 L HN 0.191 nan 8.230 nan 0.000 0.454 269 A N 0.404 123.287 122.820 0.105 0.000 1.873 269 A HA -0.305 4.019 4.320 0.006 0.000 0.219 269 A C 0.944 178.682 177.584 0.258 0.000 1.269 269 A CA 1.709 53.840 52.037 0.158 0.000 0.671 269 A CB -0.790 18.304 19.000 0.157 0.000 0.842 269 A HN 0.343 nan 8.150 nan 0.000 0.460 270 Y N 0.259 120.700 120.300 0.235 0.000 2.334 270 Y HA 0.543 5.167 4.550 0.123 0.000 0.328 270 Y C -0.341 175.718 175.900 0.265 0.000 1.130 270 Y CA -0.964 57.319 58.100 0.305 0.000 1.163 270 Y CB 0.957 39.734 38.460 0.529 0.000 1.207 270 Y HN 0.221 nan 8.280 nan 0.000 0.471 271 K N 5.467 125.480 120.400 -0.646 0.000 2.502 271 K HA 0.406 4.730 4.320 0.006 0.000 0.254 271 K C -1.429 174.803 176.600 -0.614 0.000 0.947 271 K CA -1.023 55.007 56.287 -0.427 0.000 0.834 271 K CB 2.423 34.816 32.500 -0.179 0.000 1.112 271 K HN 0.524 nan 8.250 nan 0.000 0.427 272 V N 4.864 124.605 119.914 -0.289 0.000 2.585 272 V HA 0.094 4.218 4.120 0.006 0.000 0.296 272 V C -1.881 174.154 176.094 -0.099 0.000 1.035 272 V CA -1.125 61.133 62.300 -0.071 0.000 1.084 272 V CB 0.326 32.193 31.823 0.073 0.000 0.953 272 V HN 0.621 nan 8.190 nan 0.000 0.483 273 P HA -0.039 nan 4.420 nan 0.000 0.279 273 P C 0.262 177.491 177.300 -0.119 0.000 1.343 273 P CA 0.335 63.378 63.100 -0.095 0.000 0.940 273 P CB 0.127 31.765 31.700 -0.104 0.000 1.231 274 L N -1.840 119.321 121.223 -0.104 0.000 2.448 274 L HA 0.341 4.685 4.340 0.006 0.000 0.184 274 L C 1.514 178.323 176.870 -0.101 0.000 1.310 274 L CA 1.265 56.054 54.840 -0.085 0.000 2.940 274 L CB -1.940 40.083 42.059 -0.060 0.000 2.857 274 L HN 0.324 nan 8.230 nan 0.000 1.053 275 A N -1.159 121.613 122.820 -0.080 0.000 2.068 275 A HA 0.569 4.893 4.320 0.006 0.000 0.206 275 A C 1.363 178.911 177.584 -0.060 0.000 1.822 275 A CA 0.406 52.401 52.037 -0.070 0.000 0.899 275 A CB -1.067 17.905 19.000 -0.047 0.000 1.251 275 A HN 0.696 nan 8.150 nan 0.000 0.599 276 G N 0.408 109.185 108.800 -0.038 0.000 2.504 276 G HA2 0.532 4.495 3.960 0.006 0.000 0.326 276 G HA3 0.532 4.495 3.960 0.006 0.000 0.326 276 G C -0.179 174.702 174.900 -0.031 0.000 1.073 276 G CA -0.142 44.948 45.100 -0.018 0.000 1.030 276 G HN 0.294 nan 8.290 nan 0.000 0.448 277 L N 0.942 122.137 121.223 -0.046 0.000 2.786 277 L HA 0.443 4.787 4.340 0.006 0.000 0.221 277 L C 1.811 178.639 176.870 -0.070 0.000 1.721 277 L CA -0.435 54.364 54.840 -0.069 0.000 2.738 277 L CB 0.360 42.347 42.059 -0.120 0.000 2.544 277 L HN 0.480 nan 8.230 nan 0.000 0.746 278 E N -0.646 119.456 120.200 -0.164 0.000 2.048 278 E HA 0.038 4.392 4.350 0.006 0.000 0.193 278 E C -0.614 175.921 176.600 -0.108 0.000 0.956 278 E CA 0.530 56.788 56.400 -0.236 0.000 0.846 278 E CB -0.080 29.267 29.700 -0.589 0.000 0.827 278 E HN 0.304 nan 8.360 nan 0.000 0.466 279 Y N 0.370 120.734 120.300 0.107 0.000 2.679 279 Y HA 0.469 5.019 4.550 0.001 0.000 0.331 279 Y C -2.225 173.805 175.900 0.216 0.000 1.183 279 Y CA -3.249 54.879 58.100 0.047 0.000 1.290 279 Y CB -1.043 37.234 38.460 -0.305 0.000 1.489 279 Y HN -0.095 nan 8.280 nan 0.000 0.583 280 P HA 0.192 nan 4.420 nan 0.000 0.276 280 P C -0.128 177.445 177.300 0.454 0.000 1.252 280 P CA -0.235 63.052 63.100 0.313 0.000 0.802 280 P CB 1.151 32.903 31.700 0.087 0.000 1.035 281 M N 0.417 120.236 119.600 0.366 0.000 2.296 281 M HA -0.071 4.413 4.480 0.006 0.000 0.265 281 M C 2.200 178.737 176.300 0.394 0.000 1.064 281 M CA 1.350 56.885 55.300 0.391 0.000 1.109 281 M CB -0.586 32.178 32.600 0.274 0.000 1.396 281 M HN 0.305 nan 8.290 nan 0.000 0.430 282 L N 0.143 121.478 121.223 0.186 0.000 2.043 282 L HA -0.279 4.065 4.340 0.006 0.000 0.212 282 L C 2.742 179.694 176.870 0.137 0.000 1.075 282 L CA 1.622 56.502 54.840 0.066 0.000 0.752 282 L CB -0.617 41.352 42.059 -0.150 0.000 0.891 282 L HN 0.394 nan 8.230 nan 0.000 0.432 283 H N -1.010 118.087 119.070 0.045 0.000 2.568 283 H HA -0.181 4.375 4.556 0.001 0.000 0.281 283 H C 0.987 176.329 175.328 0.023 0.000 1.028 283 H CA 1.571 57.590 56.048 -0.049 0.000 1.199 283 H CB 0.135 29.784 29.762 -0.188 0.000 1.352 283 H HN 0.546 nan 8.280 nan 0.000 0.605 284 Y N -1.331 119.193 120.300 0.373 0.000 2.483 284 Y HA 0.152 4.699 4.550 -0.006 0.000 0.258 284 Y C 1.024 177.047 175.900 0.205 0.000 1.083 284 Y CA -0.125 58.232 58.100 0.428 0.000 1.283 284 Y CB 0.815 39.531 38.460 0.426 0.000 1.178 284 Y HN -0.137 nan 8.280 nan 0.000 0.515 285 V N 1.054 121.083 119.914 0.192 0.000 2.427 285 V HA 0.316 4.439 4.120 0.006 0.000 0.268 285 V C 0.963 176.794 176.094 -0.438 0.000 1.046 285 V CA 0.779 63.069 62.300 -0.016 0.000 0.970 285 V CB 0.669 32.534 31.823 0.070 0.000 1.001 285 V HN 0.499 nan 8.190 nan 0.000 0.476 286 G N 3.592 111.809 108.800 -0.971 0.000 2.739 286 G HA2 0.125 4.089 3.960 0.006 0.000 0.200 286 G HA3 0.125 4.089 3.960 0.006 0.000 0.200 286 G C 0.277 174.364 174.900 -1.356 0.000 1.069 286 G CA -0.130 43.819 45.100 -1.918 0.000 0.768 286 G HN 0.531 nan 8.290 nan 0.000 0.565 287 F N 2.491 122.146 119.950 -0.492 0.000 2.566 287 F HA 0.465 4.974 4.527 -0.029 0.000 0.349 287 F C 0.458 176.036 175.800 -0.370 0.000 1.245 287 F CA -0.632 57.228 58.000 -0.234 0.000 1.169 287 F CB 0.602 39.608 39.000 0.010 0.000 1.470 287 F HN -0.001 nan 8.300 nan 0.000 0.634 288 V N 0.595 120.258 119.914 -0.418 0.000 3.167 288 V HA 0.695 4.819 4.120 0.006 0.000 0.310 288 V C -2.850 172.830 176.094 -0.689 0.000 1.207 288 V CA -3.388 58.342 62.300 -0.950 0.000 1.059 288 V CB 1.846 33.249 31.823 -0.700 0.000 1.079 288 V HN 0.075 nan 8.190 nan 0.000 0.446 289 P HA 0.241 nan 4.420 nan 0.000 0.267 289 P C -0.835 176.356 177.300 -0.181 0.000 1.201 289 P CA 0.346 63.285 63.100 -0.268 0.000 0.775 289 P CB 0.558 32.067 31.700 -0.320 0.000 0.854 290 V N 3.451 123.320 119.914 -0.075 0.000 2.962 290 V HA 0.361 4.485 4.120 0.006 0.000 0.313 290 V C -0.296 175.772 176.094 -0.044 0.000 1.099 290 V CA -0.948 61.314 62.300 -0.063 0.000 0.971 290 V CB 2.114 33.918 31.823 -0.032 0.000 1.028 290 V HN 0.304 nan 8.190 nan 0.000 0.430 291 I N 4.749 125.296 120.570 -0.040 0.000 2.329 291 I HA 0.214 4.388 4.170 0.006 0.000 0.295 291 I C 0.363 176.469 176.117 -0.017 0.000 1.109 291 I CA 0.035 61.319 61.300 -0.028 0.000 1.297 291 I CB 0.604 38.586 38.000 -0.030 0.000 1.433 291 I HN 0.760 nan 8.210 nan 0.000 0.509 292 D N 4.434 124.829 120.400 -0.009 0.000 2.395 292 D HA 0.065 4.709 4.640 0.006 0.000 0.213 292 D C 1.302 177.607 176.300 0.007 0.000 1.110 292 D CA 0.102 54.098 54.000 -0.006 0.000 0.835 292 D CB 0.528 41.316 40.800 -0.021 0.000 0.965 292 D HN 0.651 nan 8.370 nan 0.000 0.505 293 G N 0.709 109.513 108.800 0.006 0.000 2.187 293 G HA2 -0.340 3.624 3.960 0.006 0.000 0.261 293 G HA3 -0.340 3.624 3.960 0.006 0.000 0.261 293 G C 0.372 175.288 174.900 0.028 0.000 1.000 293 G CA 0.970 46.074 45.100 0.007 0.000 0.718 293 G HN 0.543 nan 8.290 nan 0.000 0.519 294 D N -1.854 118.581 120.400 0.058 0.000 2.912 294 D HA 0.162 4.806 4.640 0.006 0.000 0.170 294 D C 1.605 178.037 176.300 0.220 0.000 1.484 294 D CA 0.256 54.337 54.000 0.135 0.000 1.542 294 D CB -0.593 40.286 40.800 0.131 0.000 1.344 294 D HN 0.081 nan 8.370 nan 0.000 0.222 295 F N 1.038 120.982 119.950 -0.009 0.000 2.206 295 F HA 0.230 4.763 4.527 0.009 0.000 0.298 295 F C 0.769 176.542 175.800 -0.045 0.000 1.090 295 F CA 0.874 58.809 58.000 -0.107 0.000 1.323 295 F CB 0.425 39.223 39.000 -0.336 0.000 1.028 295 F HN -0.015 nan 8.300 nan 0.000 0.492 296 I N 1.770 122.372 120.570 0.053 0.000 2.555 296 I HA 0.214 4.388 4.170 0.006 0.000 0.275 296 I C -1.856 174.246 176.117 -0.025 0.000 1.082 296 I CA -2.556 58.731 61.300 -0.023 0.000 1.167 296 I CB 0.322 38.331 38.000 0.014 0.000 1.312 296 I HN -0.110 nan 8.210 nan 0.000 0.493 297 P HA -0.131 nan 4.420 nan 0.000 0.218 297 P C 0.172 177.453 177.300 -0.031 0.000 1.146 297 P CA 1.480 64.559 63.100 -0.035 0.000 0.820 297 P CB 0.522 32.187 31.700 -0.058 0.000 0.778 298 D N -3.231 117.146 120.400 -0.038 0.000 2.792 298 D HA 0.050 4.694 4.640 0.006 0.000 0.335 298 D C -1.522 174.759 176.300 -0.032 0.000 1.353 298 D CA -0.756 53.226 54.000 -0.030 0.000 0.839 298 D CB 0.158 40.942 40.800 -0.027 0.000 1.396 298 D HN -0.314 nan 8.370 nan 0.000 0.479 299 D N 0.404 120.790 120.400 -0.024 0.000 2.487 299 D HA 0.055 4.699 4.640 0.006 0.000 0.243 299 D C -1.529 174.761 176.300 -0.016 0.000 1.154 299 D CA -0.921 53.065 54.000 -0.023 0.000 0.876 299 D CB 1.407 42.198 40.800 -0.015 0.000 1.161 299 D HN 0.058 nan 8.370 nan 0.000 0.478 300 P HA -0.184 nan 4.420 nan 0.000 0.218 300 P C 1.403 178.763 177.300 0.099 0.000 1.146 300 P CA 0.508 63.595 63.100 -0.022 0.000 0.820 300 P CB 0.118 31.795 31.700 -0.039 0.000 0.778 301 I N -0.639 119.995 120.570 0.107 0.000 2.614 301 I HA -0.129 4.045 4.170 0.006 0.000 0.258 301 I C 0.830 177.040 176.117 0.155 0.000 1.189 301 I CA 1.518 62.909 61.300 0.151 0.000 1.462 301 I CB -0.609 37.420 38.000 0.049 0.000 1.092 301 I HN -0.102 nan 8.210 nan 0.000 0.442 302 N N -0.121 118.634 118.700 0.092 0.000 2.238 302 N HA 0.197 4.941 4.740 0.006 0.000 0.222 302 N C 0.959 176.497 175.510 0.045 0.000 1.133 302 N CA 0.246 53.334 53.050 0.063 0.000 0.854 302 N CB 0.458 38.956 38.487 0.019 0.000 1.041 302 N HN 0.371 nan 8.380 nan 0.000 0.510 303 L N -0.893 120.354 121.223 0.039 0.000 2.766 303 L HA 0.244 4.587 4.340 0.006 0.000 0.242 303 L C 1.025 177.815 176.870 -0.133 0.000 1.136 303 L CA -0.097 54.697 54.840 -0.078 0.000 0.933 303 L CB -0.050 41.912 42.059 -0.161 0.000 1.241 303 L HN -0.052 nan 8.230 nan 0.000 0.522 304 Y N 1.049 121.314 120.300 -0.058 0.000 2.315 304 Y HA -0.259 4.294 4.550 0.006 0.000 0.288 304 Y C 2.634 178.491 175.900 -0.071 0.000 1.154 304 Y CA 1.176 59.241 58.100 -0.058 0.000 1.229 304 Y CB -0.522 37.914 38.460 -0.040 0.000 0.980 304 Y HN 0.228 nan 8.280 nan 0.000 0.540 305 A N 0.378 123.219 122.820 0.035 0.000 1.986 305 A HA -0.284 4.040 4.320 0.006 0.000 0.220 305 A C 1.933 179.485 177.584 -0.054 0.000 1.171 305 A CA 2.045 54.074 52.037 -0.013 0.000 0.640 305 A CB -1.004 17.984 19.000 -0.020 0.000 0.811 305 A HN 0.660 nan 8.150 nan 0.000 0.451 306 N N -0.399 118.248 118.700 -0.089 0.000 2.585 306 N HA 0.064 4.808 4.740 0.006 0.000 0.188 306 N C 0.956 176.399 175.510 -0.113 0.000 1.102 306 N CA 0.480 53.461 53.050 -0.114 0.000 0.920 306 N CB -0.093 38.300 38.487 -0.156 0.000 0.963 306 N HN 0.511 nan 8.380 nan 0.000 0.447 307 A N 0.009 122.768 122.820 -0.102 0.000 2.574 307 A HA 0.543 4.867 4.320 0.006 0.000 0.283 307 A C 1.687 179.257 177.584 -0.023 0.000 1.270 307 A CA -0.248 51.755 52.037 -0.057 0.000 0.945 307 A CB 0.109 19.073 19.000 -0.061 0.000 1.127 307 A HN 0.217 nan 8.150 nan 0.000 0.522 308 A N 0.003 122.787 122.820 -0.059 0.000 2.019 308 A HA -0.063 4.261 4.320 0.006 0.000 0.219 308 A C 0.854 178.410 177.584 -0.046 0.000 1.164 308 A CA 1.530 53.518 52.037 -0.082 0.000 0.644 308 A CB -0.066 18.897 19.000 -0.062 0.000 0.805 308 A HN 0.350 nan 8.150 nan 0.000 0.449 309 D N -0.699 119.693 120.400 -0.012 0.000 2.788 309 D HA 0.331 4.975 4.640 0.006 0.000 0.289 309 D C -0.672 175.651 176.300 0.037 0.000 1.340 309 D CA 0.096 54.102 54.000 0.010 0.000 0.831 309 D CB 0.347 41.144 40.800 -0.007 0.000 1.103 309 D HN 0.348 nan 8.370 nan 0.000 0.476 310 I N 1.510 122.134 120.570 0.091 0.000 2.437 310 I HA 0.097 4.271 4.170 0.006 0.000 0.279 310 I C -0.019 176.243 176.117 0.242 0.000 1.028 310 I CA -0.748 60.621 61.300 0.115 0.000 1.142 310 I CB 1.513 39.554 38.000 0.068 0.000 1.266 310 I HN -0.304 nan 8.210 nan 0.000 0.461 311 D N 4.846 125.365 120.400 0.199 0.000 2.443 311 D HA -0.010 4.634 4.640 0.006 0.000 0.234 311 D C -0.873 175.718 176.300 0.484 0.000 1.172 311 D CA 0.946 55.149 54.000 0.337 0.000 0.878 311 D CB 1.023 41.937 40.800 0.189 0.000 1.204 311 D HN 0.276 nan 8.370 nan 0.000 0.453 312 Y N 0.549 121.012 120.300 0.272 0.000 2.441 312 Y HA 0.409 4.963 4.550 0.006 0.000 0.334 312 Y C -1.291 174.516 175.900 -0.155 0.000 1.061 312 Y CA -0.852 57.234 58.100 -0.024 0.000 1.032 312 Y CB 0.917 39.029 38.460 -0.580 0.000 1.266 312 Y HN 0.258 nan 8.280 nan 0.000 0.441 313 I N 5.286 125.502 120.570 -0.590 0.000 2.378 313 I HA 0.799 4.973 4.170 0.006 0.000 0.291 313 I C -0.639 174.976 176.117 -0.836 0.000 0.992 313 I CA -0.757 60.086 61.300 -0.762 0.000 1.154 313 I CB 1.535 38.930 38.000 -1.009 0.000 1.315 313 I HN 0.770 nan 8.210 nan 0.000 0.448 314 A N 4.513 126.939 122.820 -0.656 0.000 2.455 314 A HA 0.953 5.277 4.320 0.006 0.000 0.300 314 A C -0.558 176.704 177.584 -0.535 0.000 1.040 314 A CA -0.416 51.272 52.037 -0.583 0.000 0.697 314 A CB 1.848 20.415 19.000 -0.722 0.000 1.265 314 A HN 0.832 nan 8.150 nan 0.000 0.407 315 G N -0.302 108.049 108.800 -0.748 0.000 2.600 315 G HA2 0.842 4.806 3.960 0.006 0.000 0.293 315 G HA3 0.842 4.806 3.960 0.006 0.000 0.293 315 G C -0.627 173.865 174.900 -0.680 0.000 1.408 315 G CA 0.274 44.575 45.100 -1.331 0.000 0.782 315 G HN 1.660 nan 8.290 nan 0.000 0.482 316 T N -2.430 111.854 114.554 -0.450 0.000 2.778 316 T HA 0.612 4.966 4.350 0.006 0.000 0.293 316 T C -0.607 174.150 174.700 0.095 0.000 1.144 316 T CA -0.945 61.112 62.100 -0.072 0.000 1.010 316 T CB 1.672 70.516 68.868 -0.041 0.000 1.325 316 T HN 0.504 nan 8.240 nan 0.000 0.515 317 N N 0.257 119.020 118.700 0.104 0.000 2.466 317 N HA 0.309 5.053 4.740 0.006 0.000 0.294 317 N C 1.127 176.688 175.510 0.085 0.000 1.129 317 N CA -0.750 52.416 53.050 0.194 0.000 0.931 317 N CB 1.424 40.048 38.487 0.229 0.000 1.193 317 N HN 0.746 nan 8.380 nan 0.000 0.500 318 N N 1.020 119.763 118.700 0.072 0.000 2.058 318 N HA -0.180 4.564 4.740 0.006 0.000 0.200 318 N C 0.238 175.742 175.510 -0.009 0.000 1.033 318 N CA 1.437 54.489 53.050 0.003 0.000 0.880 318 N CB 0.089 38.564 38.487 -0.020 0.000 1.069 318 N HN 0.492 nan 8.380 nan 0.000 0.461 319 M N 0.631 120.248 119.600 0.027 0.000 2.972 319 M HA 0.099 4.583 4.480 0.006 0.000 0.323 319 M C -0.131 176.229 176.300 0.099 0.000 1.213 319 M CA 0.001 55.312 55.300 0.018 0.000 0.935 319 M CB 0.743 33.373 32.600 0.049 0.000 1.289 319 M HN 0.049 nan 8.290 nan 0.000 0.525 320 D N 2.070 122.508 120.400 0.062 0.000 2.149 320 D HA -0.136 4.507 4.640 0.006 0.000 0.194 320 D C 1.858 178.246 176.300 0.147 0.000 1.001 320 D CA 1.724 55.725 54.000 0.002 0.000 0.849 320 D CB 0.241 40.897 40.800 -0.241 0.000 0.939 320 D HN 0.585 nan 8.370 nan 0.000 0.449 321 G N -1.201 107.745 108.800 0.244 0.000 2.920 321 G HA2 -0.185 3.779 3.960 0.006 0.000 0.208 321 G HA3 -0.185 3.779 3.960 0.006 0.000 0.208 321 G C 1.343 176.472 174.900 0.381 0.000 1.159 321 G CA 0.036 45.374 45.100 0.396 0.000 0.784 321 G HN 0.271 nan 8.290 nan 0.000 0.535 322 H N 2.413 121.569 119.070 0.144 0.000 2.296 322 H HA -0.230 4.330 4.556 0.007 0.000 0.291 322 H C 2.667 178.052 175.328 0.095 0.000 1.074 322 H CA 1.940 58.043 56.048 0.092 0.000 1.176 322 H CB -0.622 29.186 29.762 0.077 0.000 1.357 322 H HN 0.449 nan 8.280 nan 0.000 0.520 323 I N -1.790 118.830 120.570 0.083 0.000 2.300 323 I HA -0.281 3.893 4.170 0.006 0.000 0.252 323 I C 2.018 178.019 176.117 -0.193 0.000 1.119 323 I CA 1.855 63.056 61.300 -0.165 0.000 1.384 323 I CB -0.837 36.955 38.000 -0.347 0.000 1.062 323 I HN 0.005 nan 8.210 nan 0.000 0.426 324 F N 1.797 121.815 119.950 0.114 0.000 2.234 324 F HA 0.118 4.646 4.527 0.002 0.000 0.296 324 F C 2.841 178.731 175.800 0.150 0.000 1.089 324 F CA 1.144 59.213 58.000 0.114 0.000 1.343 324 F CB -0.698 38.368 39.000 0.110 0.000 1.040 324 F HN 0.088 nan 8.300 nan 0.000 0.498 325 A N -0.315 122.706 122.820 0.336 0.000 1.877 325 A HA -0.158 4.166 4.320 0.006 0.000 0.216 325 A C 2.212 179.938 177.584 0.236 0.000 1.186 325 A CA 1.877 54.078 52.037 0.274 0.000 0.620 325 A CB -1.118 18.026 19.000 0.239 0.000 0.822 325 A HN 0.268 nan 8.150 nan 0.000 0.443 326 S N -0.577 115.254 115.700 0.219 0.000 2.584 326 S HA 0.080 4.553 4.470 0.006 0.000 0.240 326 S C 1.171 175.831 174.600 0.100 0.000 0.975 326 S CA 0.962 59.258 58.200 0.161 0.000 0.949 326 S CB -0.371 62.888 63.200 0.099 0.000 0.761 326 S HN 0.564 nan 8.310 nan 0.000 0.536 327 I N -0.299 120.338 120.570 0.111 0.000 4.471 327 I HA 0.098 4.272 4.170 0.006 0.000 0.326 327 I C 0.843 177.026 176.117 0.111 0.000 1.300 327 I CA 0.234 61.581 61.300 0.077 0.000 1.237 327 I CB 0.321 38.348 38.000 0.045 0.000 1.195 327 I HN 0.048 nan 8.210 nan 0.000 0.427 328 D N 1.124 121.626 120.400 0.170 0.000 2.354 328 D HA 0.207 4.851 4.640 0.006 0.000 0.209 328 D C 0.804 177.204 176.300 0.166 0.000 1.015 328 D CA 0.896 55.010 54.000 0.191 0.000 0.867 328 D CB 0.868 41.837 40.800 0.280 0.000 0.933 328 D HN 0.192 nan 8.370 nan 0.000 0.520 329 M N 0.227 119.923 119.600 0.161 0.000 3.044 329 M HA 0.138 4.622 4.480 0.006 0.000 0.344 329 M C -2.350 174.040 176.300 0.150 0.000 1.524 329 M CA -1.005 54.388 55.300 0.154 0.000 0.682 329 M CB 2.526 35.235 32.600 0.183 0.000 2.220 329 M HN -0.321 nan 8.290 nan 0.000 0.421 330 P HA -0.201 nan 4.420 nan 0.000 0.218 330 P C 1.385 178.758 177.300 0.123 0.000 1.147 330 P CA 1.791 64.955 63.100 0.106 0.000 0.827 330 P CB 0.184 31.927 31.700 0.071 0.000 0.778 331 A N -0.371 122.524 122.820 0.125 0.000 1.940 331 A HA -0.281 4.043 4.320 0.006 0.000 0.221 331 A C 2.107 179.794 177.584 0.171 0.000 1.190 331 A CA 1.967 54.082 52.037 0.129 0.000 0.647 331 A CB -1.717 17.360 19.000 0.127 0.000 0.821 331 A HN 0.173 nan 8.150 nan 0.000 0.457 332 I N 0.015 120.721 120.570 0.226 0.000 2.121 332 I HA -0.362 3.812 4.170 0.006 0.000 0.243 332 I C 1.363 177.688 176.117 0.348 0.000 1.047 332 I CA 1.858 63.361 61.300 0.338 0.000 1.308 332 I CB -0.490 37.754 38.000 0.407 0.000 1.015 332 I HN 0.399 nan 8.210 nan 0.000 0.410 333 N N 0.795 119.650 118.700 0.259 0.000 2.314 333 N HA 0.033 4.777 4.740 0.006 0.000 0.200 333 N C 0.130 175.677 175.510 0.063 0.000 1.135 333 N CA 0.216 53.373 53.050 0.177 0.000 0.835 333 N CB 0.350 38.929 38.487 0.153 0.000 0.989 333 N HN 0.159 nan 8.380 nan 0.000 0.478 334 K N 0.311 120.751 120.400 0.067 0.000 2.367 334 K HA 0.355 4.679 4.320 0.006 0.000 0.263 334 K C 1.042 177.641 176.600 -0.001 0.000 1.000 334 K CA -0.472 55.826 56.287 0.018 0.000 0.891 334 K CB 0.923 33.443 32.500 0.033 0.000 1.117 334 K HN -0.006 nan 8.250 nan 0.000 0.443 335 G N 2.756 111.516 108.800 -0.066 0.000 2.653 335 G HA2 -0.204 3.760 3.960 0.006 0.000 0.212 335 G HA3 -0.204 3.760 3.960 0.006 0.000 0.212 335 G C 0.313 175.194 174.900 -0.032 0.000 1.138 335 G CA 0.779 45.827 45.100 -0.088 0.000 0.782 335 G HN 0.793 nan 8.290 nan 0.000 0.535 336 N N -1.893 116.801 118.700 -0.010 0.000 2.307 336 N HA 0.167 4.911 4.740 0.006 0.000 0.248 336 N C -0.229 175.293 175.510 0.019 0.000 1.322 336 N CA -0.390 52.661 53.050 0.002 0.000 0.861 336 N CB 0.680 39.163 38.487 -0.007 0.000 1.303 336 N HN -0.169 nan 8.380 nan 0.000 0.498 337 K N 0.962 121.383 120.400 0.035 0.000 2.292 337 K HA 0.353 4.677 4.320 0.006 0.000 0.257 337 K C -0.504 176.133 176.600 0.062 0.000 0.940 337 K CA -0.483 55.833 56.287 0.048 0.000 0.811 337 K CB 1.803 34.337 32.500 0.056 0.000 1.120 337 K HN 0.048 nan 8.250 nan 0.000 0.428 338 K N 1.438 121.873 120.400 0.059 0.000 2.174 338 K HA 0.218 4.542 4.320 0.006 0.000 0.275 338 K C -0.374 176.274 176.600 0.080 0.000 1.015 338 K CA -0.541 55.784 56.287 0.063 0.000 0.933 338 K CB 1.831 34.362 32.500 0.051 0.000 1.025 338 K HN 0.297 nan 8.250 nan 0.000 0.463 339 V N 3.665 123.629 119.914 0.083 0.000 2.311 339 V HA 0.185 4.309 4.120 0.006 0.000 0.275 339 V C -0.345 175.807 176.094 0.098 0.000 1.022 339 V CA -0.248 62.113 62.300 0.102 0.000 0.830 339 V CB 0.951 32.837 31.823 0.105 0.000 1.012 339 V HN 0.746 nan 8.190 nan 0.000 0.452 340 T N 5.141 119.767 114.554 0.119 0.000 2.868 340 T HA 0.212 4.566 4.350 0.006 0.000 0.292 340 T C 0.975 175.783 174.700 0.180 0.000 1.028 340 T CA -0.099 62.078 62.100 0.128 0.000 1.059 340 T CB 1.305 70.247 68.868 0.123 0.000 0.991 340 T HN 0.847 nan 8.240 nan 0.000 0.531 341 E N 0.442 120.752 120.200 0.184 0.000 2.170 341 E HA -0.044 4.310 4.350 0.006 0.000 0.191 341 E C 2.038 178.842 176.600 0.340 0.000 0.981 341 E CA 0.338 56.906 56.400 0.280 0.000 0.830 341 E CB 0.122 29.965 29.700 0.240 0.000 0.775 341 E HN 0.771 nan 8.360 nan 0.000 0.470 342 E N 1.034 121.363 120.200 0.215 0.000 2.150 342 E HA -0.209 4.145 4.350 0.006 0.000 0.193 342 E C 0.922 177.663 176.600 0.234 0.000 0.985 342 E CA 1.132 57.644 56.400 0.186 0.000 0.814 342 E CB 0.163 29.930 29.700 0.112 0.000 0.752 342 E HN 0.125 nan 8.360 nan 0.000 0.466 343 D N 0.469 120.999 120.400 0.216 0.000 2.095 343 D HA -0.206 4.438 4.640 0.006 0.000 0.192 343 D C 1.604 178.033 176.300 0.215 0.000 0.990 343 D CA 1.159 55.275 54.000 0.193 0.000 0.836 343 D CB -0.781 40.129 40.800 0.184 0.000 0.979 343 D HN 0.216 nan 8.370 nan 0.000 0.447 344 F N 0.110 120.146 119.950 0.143 0.000 2.225 344 F HA -0.317 4.215 4.527 0.008 0.000 0.302 344 F C 2.222 178.113 175.800 0.152 0.000 1.068 344 F CA 1.282 59.345 58.000 0.104 0.000 1.327 344 F CB -0.196 38.859 39.000 0.092 0.000 1.043 344 F HN 0.035 nan 8.300 nan 0.000 0.506 345 Y N 0.648 121.056 120.300 0.181 0.000 2.286 345 Y HA -0.049 4.506 4.550 0.008 0.000 0.293 345 Y C 2.327 178.190 175.900 -0.062 0.000 1.124 345 Y CA 1.345 59.466 58.100 0.035 0.000 1.178 345 Y CB -0.432 37.925 38.460 -0.172 0.000 1.010 345 Y HN -0.193 nan 8.280 nan 0.000 0.536 346 K N 0.590 120.947 120.400 -0.073 0.000 2.147 346 K HA -0.136 4.187 4.320 0.006 0.000 0.205 346 K C 2.006 178.523 176.600 -0.139 0.000 1.049 346 K CA 1.181 57.404 56.287 -0.106 0.000 0.936 346 K CB -0.760 31.767 32.500 0.046 0.000 0.722 346 K HN 0.445 nan 8.250 nan 0.000 0.446 347 L N 0.603 121.735 121.223 -0.151 0.000 1.993 347 L HA -0.123 4.221 4.340 0.006 0.000 0.206 347 L C 2.246 179.059 176.870 -0.094 0.000 1.074 347 L CA 1.693 56.485 54.840 -0.079 0.000 0.746 347 L CB -0.979 40.985 42.059 -0.158 0.000 0.896 347 L HN 0.042 nan 8.230 nan 0.000 0.435 348 V N -2.726 116.861 119.914 -0.544 0.000 2.688 348 V HA -0.234 3.890 4.120 0.006 0.000 0.256 348 V C 2.443 178.495 176.094 -0.071 0.000 1.084 348 V CA 2.036 64.096 62.300 -0.400 0.000 1.103 348 V CB -1.385 30.012 31.823 -0.710 0.000 0.688 348 V HN 0.578 nan 8.190 nan 0.000 0.480 349 S N -0.468 115.058 115.700 -0.290 0.000 2.383 349 S HA -0.178 4.296 4.470 0.006 0.000 0.227 349 S C 2.048 176.631 174.600 -0.030 0.000 1.026 349 S CA 1.467 59.500 58.200 -0.278 0.000 0.981 349 S CB -0.400 62.487 63.200 -0.521 0.000 0.818 349 S HN 0.753 nan 8.310 nan 0.000 0.472 350 E N 0.183 120.406 120.200 0.039 0.000 2.072 350 E HA 0.010 4.364 4.350 0.006 0.000 0.190 350 E C 1.531 178.177 176.600 0.076 0.000 0.982 350 E CA 0.798 57.234 56.400 0.060 0.000 0.803 350 E CB -0.344 29.393 29.700 0.062 0.000 0.755 350 E HN 0.620 nan 8.360 nan 0.000 0.453 351 F N 0.831 120.854 119.950 0.121 0.000 2.502 351 F HA -0.061 4.471 4.527 0.010 0.000 0.298 351 F C 1.447 177.347 175.800 0.168 0.000 1.111 351 F CA 1.058 59.145 58.000 0.144 0.000 1.445 351 F CB 0.076 39.208 39.000 0.219 0.000 1.081 351 F HN -0.119 nan 8.300 nan 0.000 0.558 352 T N -2.432 112.339 114.554 0.362 0.000 3.377 352 T HA 0.383 4.737 4.350 0.006 0.000 0.270 352 T C 1.104 175.945 174.700 0.236 0.000 1.586 352 T CA -0.179 62.158 62.100 0.395 0.000 1.487 352 T CB -0.648 68.519 68.868 0.498 0.000 0.994 352 T HN 0.113 nan 8.240 nan 0.000 0.689 353 I N 1.484 122.143 120.570 0.148 0.000 2.296 353 I HA -0.056 4.118 4.170 0.006 0.000 0.242 353 I C 2.762 178.915 176.117 0.061 0.000 1.087 353 I CA 1.142 62.481 61.300 0.064 0.000 1.393 353 I CB -0.449 37.550 38.000 -0.003 0.000 1.093 353 I HN 0.522 nan 8.210 nan 0.000 0.421 354 T N -1.705 112.890 114.554 0.069 0.000 3.320 354 T HA -0.028 4.325 4.350 0.006 0.000 0.258 354 T C 1.026 175.753 174.700 0.045 0.000 1.176 354 T CA 0.735 62.861 62.100 0.043 0.000 1.037 354 T CB -0.240 68.651 68.868 0.038 0.000 0.958 354 T HN 0.037 nan 8.240 nan 0.000 0.545 355 K N 0.526 120.974 120.400 0.080 0.000 2.564 355 K HA 0.493 4.817 4.320 0.006 0.000 0.201 355 K C 1.008 177.638 176.600 0.051 0.000 1.086 355 K CA 0.161 56.463 56.287 0.025 0.000 1.062 355 K CB 0.668 33.148 32.500 -0.034 0.000 0.849 355 K HN 0.472 nan 8.250 nan 0.000 0.529 356 G N 0.896 109.730 108.800 0.056 0.000 2.977 356 G HA2 -0.314 3.650 3.960 0.006 0.000 0.308 356 G HA3 -0.314 3.650 3.960 0.006 0.000 0.308 356 G C 0.777 175.732 174.900 0.091 0.000 1.491 356 G CA -0.019 45.115 45.100 0.057 0.000 0.971 356 G HN 0.250 nan 8.290 nan 0.000 0.557 357 L N -0.232 121.045 121.223 0.090 0.000 2.351 357 L HA -0.142 4.202 4.340 0.006 0.000 0.220 357 L C 3.058 180.013 176.870 0.141 0.000 1.127 357 L CA 2.053 56.971 54.840 0.130 0.000 0.786 357 L CB -0.434 41.693 42.059 0.114 0.000 0.914 357 L HN 0.704 nan 8.230 nan 0.000 0.443 358 R N 0.443 121.006 120.500 0.105 0.000 2.064 358 R HA -0.120 4.224 4.340 0.006 0.000 0.228 358 R C 2.276 178.666 176.300 0.149 0.000 1.144 358 R CA 1.508 57.668 56.100 0.100 0.000 0.932 358 R CB -0.610 29.724 30.300 0.056 0.000 0.833 358 R HN 0.334 nan 8.270 nan 0.000 0.429 359 G N -0.502 108.385 108.800 0.146 0.000 2.535 359 G HA2 -0.213 3.750 3.960 0.006 0.000 0.218 359 G HA3 -0.213 3.750 3.960 0.006 0.000 0.218 359 G C 1.301 176.443 174.900 0.404 0.000 1.122 359 G CA 0.743 45.996 45.100 0.255 0.000 0.769 359 G HN 0.507 nan 8.290 nan 0.000 0.549 360 A N 0.010 123.008 122.820 0.297 0.000 1.935 360 A HA 0.208 4.532 4.320 0.006 0.000 0.214 360 A C 2.201 180.017 177.584 0.387 0.000 1.178 360 A CA 1.530 53.740 52.037 0.289 0.000 0.640 360 A CB -0.182 18.919 19.000 0.167 0.000 0.825 360 A HN 0.271 nan 8.150 nan 0.000 0.447 361 K N -0.086 120.515 120.400 0.335 0.000 1.975 361 K HA -0.130 4.194 4.320 0.006 0.000 0.210 361 K C 2.312 179.091 176.600 0.299 0.000 1.041 361 K CA 2.050 58.525 56.287 0.314 0.000 0.942 361 K CB -0.655 31.955 32.500 0.183 0.000 0.729 361 K HN 0.589 nan 8.250 nan 0.000 0.439 362 T N -0.339 114.347 114.554 0.220 0.000 2.668 362 T HA -0.251 4.103 4.350 0.006 0.000 0.265 362 T C 2.003 176.697 174.700 -0.011 0.000 1.041 362 T CA 2.526 64.706 62.100 0.134 0.000 1.160 362 T CB -1.257 67.763 68.868 0.253 0.000 0.857 362 T HN 0.230 nan 8.240 nan 0.000 0.455 363 T N 1.234 115.916 114.554 0.213 0.000 2.737 363 T HA 0.064 4.418 4.350 0.006 0.000 0.265 363 T C 1.413 176.296 174.700 0.304 0.000 1.038 363 T CA 1.237 63.460 62.100 0.205 0.000 1.144 363 T CB -0.663 68.480 68.868 0.458 0.000 0.866 363 T HN 0.436 nan 8.240 nan 0.000 0.434 364 F N 2.274 122.366 119.950 0.238 0.000 2.161 364 F HA -0.137 4.393 4.527 0.006 0.000 0.300 364 F C 1.733 177.653 175.800 0.200 0.000 1.089 364 F CA 1.289 59.469 58.000 0.300 0.000 1.282 364 F CB -0.309 38.904 39.000 0.355 0.000 1.010 364 F HN 0.058 nan 8.300 nan 0.000 0.485 365 D N -0.115 120.405 120.400 0.201 0.000 2.097 365 D HA -0.163 4.481 4.640 0.006 0.000 0.195 365 D C 2.456 178.671 176.300 -0.142 0.000 0.989 365 D CA 1.760 55.781 54.000 0.035 0.000 0.827 365 D CB -0.497 40.322 40.800 0.031 0.000 0.966 365 D HN 0.211 nan 8.370 nan 0.000 0.456 366 V N -0.083 119.677 119.914 -0.256 0.000 2.307 366 V HA -0.234 3.890 4.120 0.006 0.000 0.245 366 V C 1.837 177.768 176.094 -0.271 0.000 1.045 366 V CA 1.381 63.432 62.300 -0.414 0.000 1.024 366 V CB -0.718 30.604 31.823 -0.835 0.000 0.651 366 V HN 0.225 nan 8.190 nan 0.000 0.449 367 Y N 1.347 121.643 120.300 -0.006 0.000 2.509 367 Y HA -0.116 4.439 4.550 0.008 0.000 0.293 367 Y C 2.730 178.533 175.900 -0.162 0.000 1.133 367 Y CA 1.358 59.522 58.100 0.106 0.000 1.283 367 Y CB -0.668 37.950 38.460 0.264 0.000 1.001 367 Y HN 0.454 nan 8.280 nan 0.000 0.555 368 T N -2.761 111.669 114.554 -0.207 0.000 3.043 368 T HA -0.042 4.312 4.350 0.006 0.000 0.263 368 T C 0.624 175.221 174.700 -0.171 0.000 1.094 368 T CA 0.008 61.902 62.100 -0.343 0.000 1.127 368 T CB -0.336 68.160 68.868 -0.620 0.000 0.905 368 T HN 0.238 nan 8.240 nan 0.000 0.490 369 E N 2.207 122.346 120.200 -0.101 0.000 2.351 369 E HA 0.116 4.469 4.350 0.006 0.000 0.241 369 E C -0.100 176.528 176.600 0.045 0.000 1.243 369 E CA -0.177 56.211 56.400 -0.019 0.000 0.963 369 E CB -0.099 29.583 29.700 -0.031 0.000 1.042 369 E HN 0.406 nan 8.360 nan 0.000 0.468 370 S N 2.508 118.239 115.700 0.052 0.000 2.787 370 S HA -0.007 4.467 4.470 0.006 0.000 0.255 370 S C 0.243 174.835 174.600 -0.013 0.000 1.051 370 S CA -0.677 57.531 58.200 0.013 0.000 1.124 370 S CB 0.140 63.272 63.200 -0.113 0.000 1.104 370 S HN 0.762 nan 8.310 nan 0.000 0.623 371 W N 1.750 123.027 121.300 -0.037 0.000 7.245 371 W HA -0.380 4.284 4.660 0.007 0.000 0.405 371 W C 0.197 176.704 176.519 -0.019 0.000 1.514 371 W CA 0.117 57.447 57.345 -0.024 0.000 1.171 371 W CB -2.940 26.508 29.460 -0.020 0.000 2.684 371 W HN 0.671 nan 8.180 nan 0.000 1.666 372 A N 0.135 122.902 122.820 -0.088 0.000 2.550 372 A HA -0.376 3.948 4.320 0.006 0.000 0.298 372 A C 1.675 179.043 177.584 -0.361 0.000 1.485 372 A CA 2.181 54.114 52.037 -0.174 0.000 0.780 372 A CB -1.706 17.252 19.000 -0.070 0.000 1.045 372 A HN 0.832 nan 8.150 nan 0.000 0.423 373 Q N -0.282 119.139 119.800 -0.632 0.000 2.325 373 Q HA -0.194 4.150 4.340 0.006 0.000 0.211 373 Q C -0.248 175.523 176.000 -0.381 0.000 0.988 373 Q CA 1.821 57.179 55.803 -0.742 0.000 0.887 373 Q CB 0.039 28.372 28.738 -0.675 0.000 0.915 373 Q HN 0.745 nan 8.270 nan 0.000 0.440 374 D N -1.946 118.295 120.400 -0.264 0.000 3.117 374 D HA 0.106 4.749 4.640 0.006 0.000 0.241 374 D C -2.311 173.917 176.300 -0.119 0.000 1.385 374 D CA -0.975 52.927 54.000 -0.163 0.000 0.855 374 D CB 1.286 41.998 40.800 -0.147 0.000 1.498 374 D HN -0.057 nan 8.370 nan 0.000 0.584 375 P HA -0.196 nan 4.420 nan 0.000 0.222 375 P C 1.012 178.290 177.300 -0.036 0.000 1.157 375 P CA 1.523 64.587 63.100 -0.059 0.000 0.905 375 P CB 0.345 32.026 31.700 -0.032 0.000 0.792 376 S N -2.720 112.966 115.700 -0.023 0.000 2.952 376 S HA 0.171 4.644 4.470 0.006 0.000 0.251 376 S C 0.459 175.065 174.600 0.009 0.000 1.021 376 S CA -0.541 57.662 58.200 0.006 0.000 1.067 376 S CB -0.349 62.867 63.200 0.025 0.000 1.002 376 S HN -0.053 nan 8.310 nan 0.000 0.574 377 Q N 0.397 120.180 119.800 -0.028 0.000 3.207 377 Q HA 0.361 4.705 4.340 0.006 0.000 0.224 377 Q C 0.378 176.283 176.000 -0.159 0.000 1.062 377 Q CA -0.750 55.032 55.803 -0.035 0.000 0.789 377 Q CB -0.029 28.692 28.738 -0.028 0.000 2.631 377 Q HN 0.310 nan 8.270 nan 0.000 0.409 378 E N 0.670 120.679 120.200 -0.319 0.000 2.324 378 E HA -0.288 4.066 4.350 0.006 0.000 0.205 378 E C 1.368 177.852 176.600 -0.194 0.000 1.031 378 E CA 1.395 57.428 56.400 -0.612 0.000 0.836 378 E CB 0.144 29.579 29.700 -0.442 0.000 0.742 378 E HN 0.364 nan 8.360 nan 0.000 0.491 379 N N 0.106 118.732 118.700 -0.124 0.000 2.358 379 N HA -0.092 4.652 4.740 0.006 0.000 0.209 379 N C 1.572 177.041 175.510 -0.069 0.000 1.033 379 N CA 0.694 53.697 53.050 -0.079 0.000 1.021 379 N CB -0.092 38.311 38.487 -0.141 0.000 1.244 379 N HN -0.145 nan 8.380 nan 0.000 0.523 380 K N 1.524 121.859 120.400 -0.108 0.000 2.242 380 K HA -0.114 4.210 4.320 0.006 0.000 0.206 380 K C 1.920 178.467 176.600 -0.088 0.000 1.045 380 K CA 1.289 57.491 56.287 -0.141 0.000 0.930 380 K CB -0.042 32.377 32.500 -0.136 0.000 0.726 380 K HN 0.271 nan 8.250 nan 0.000 0.462 381 K N -0.313 120.095 120.400 0.014 0.000 2.031 381 K HA -0.125 4.199 4.320 0.006 0.000 0.205 381 K C 2.057 178.723 176.600 0.110 0.000 1.049 381 K CA 1.394 57.765 56.287 0.140 0.000 0.939 381 K CB -0.107 32.539 32.500 0.244 0.000 0.717 381 K HN 0.066 nan 8.250 nan 0.000 0.438 382 K N 0.833 121.294 120.400 0.101 0.000 2.147 382 K HA -0.138 4.186 4.320 0.006 0.000 0.205 382 K C 2.028 178.462 176.600 -0.276 0.000 1.049 382 K CA 1.799 57.872 56.287 -0.356 0.000 0.936 382 K CB -0.114 32.190 32.500 -0.327 0.000 0.722 382 K HN 0.209 nan 8.250 nan 0.000 0.446 383 T N -1.605 112.856 114.554 -0.155 0.000 2.977 383 T HA -0.060 4.294 4.350 0.006 0.000 0.271 383 T C 1.728 176.394 174.700 -0.057 0.000 1.105 383 T CA 1.223 63.252 62.100 -0.119 0.000 1.116 383 T CB -0.204 68.561 68.868 -0.171 0.000 0.878 383 T HN 0.013 nan 8.240 nan 0.000 0.509 384 V N 0.922 120.815 119.914 -0.036 0.000 2.379 384 V HA -0.058 4.066 4.120 0.006 0.000 0.245 384 V C 2.896 179.056 176.094 0.109 0.000 1.044 384 V CA 1.208 63.611 62.300 0.173 0.000 1.036 384 V CB -0.599 31.340 31.823 0.193 0.000 0.664 384 V HN 0.407 nan 8.190 nan 0.000 0.453 385 V N 0.389 120.255 119.914 -0.079 0.000 2.261 385 V HA -0.241 3.883 4.120 0.006 0.000 0.246 385 V C 2.284 178.308 176.094 -0.117 0.000 1.047 385 V CA 2.220 64.425 62.300 -0.159 0.000 1.015 385 V CB -0.729 30.786 31.823 -0.514 0.000 0.642 385 V HN 0.523 nan 8.190 nan 0.000 0.446 386 D N -0.604 119.704 120.400 -0.153 0.000 2.221 386 D HA -0.184 4.460 4.640 0.006 0.000 0.204 386 D C 1.810 178.068 176.300 -0.069 0.000 0.982 386 D CA 1.220 55.148 54.000 -0.119 0.000 0.857 386 D CB -0.263 40.455 40.800 -0.138 0.000 0.934 386 D HN 0.527 nan 8.370 nan 0.000 0.475 387 F N 1.720 121.549 119.950 -0.202 0.000 2.163 387 F HA -0.107 4.424 4.527 0.005 0.000 0.297 387 F C 2.167 177.743 175.800 -0.374 0.000 1.094 387 F CA 1.057 58.809 58.000 -0.413 0.000 1.290 387 F CB 0.268 39.040 39.000 -0.379 0.000 1.017 387 F HN -0.211 nan 8.300 nan 0.000 0.483 388 E N -0.062 119.988 120.200 -0.250 0.000 2.047 388 E HA -0.152 4.202 4.350 0.006 0.000 0.191 388 E C 2.186 178.669 176.600 -0.195 0.000 0.987 388 E CA 1.850 58.076 56.400 -0.289 0.000 0.799 388 E CB -0.742 28.964 29.700 0.010 0.000 0.752 388 E HN 0.397 nan 8.360 nan 0.000 0.449 389 T N 1.886 116.399 114.554 -0.068 0.000 2.746 389 T HA -0.139 4.215 4.350 0.006 0.000 0.267 389 T C 1.354 176.025 174.700 -0.048 0.000 1.039 389 T CA 1.549 63.677 62.100 0.047 0.000 1.142 389 T CB -0.267 68.609 68.868 0.014 0.000 0.866 389 T HN 0.059 nan 8.240 nan 0.000 0.444 390 D N 0.770 121.065 120.400 -0.174 0.000 2.084 390 D HA -0.059 4.585 4.640 0.006 0.000 0.194 390 D C 2.310 178.375 176.300 -0.392 0.000 0.990 390 D CA 0.742 54.621 54.000 -0.201 0.000 0.826 390 D CB -0.658 40.096 40.800 -0.076 0.000 0.971 390 D HN 0.195 nan 8.370 nan 0.000 0.453 391 V N 0.803 120.343 119.914 -0.623 0.000 2.307 391 V HA -0.170 3.954 4.120 0.006 0.000 0.245 391 V C 2.558 178.337 176.094 -0.526 0.000 1.045 391 V CA 1.144 62.992 62.300 -0.754 0.000 1.024 391 V CB -0.420 30.835 31.823 -0.947 0.000 0.651 391 V HN 0.184 nan 8.190 nan 0.000 0.449 392 L N -2.023 118.900 121.223 -0.500 0.000 2.131 392 L HA 0.000 4.344 4.340 0.006 0.000 0.206 392 L C 2.029 178.394 176.870 -0.841 0.000 1.087 392 L CA 1.640 56.083 54.840 -0.662 0.000 0.767 392 L CB -0.252 41.170 42.059 -1.062 0.000 0.917 392 L HN 0.322 nan 8.230 nan 0.000 0.441 393 F N -3.347 116.561 119.950 -0.071 0.000 2.212 393 F HA 0.090 4.620 4.527 0.004 0.000 0.262 393 F C 1.673 177.420 175.800 -0.089 0.000 0.906 393 F CA -0.417 57.566 58.000 -0.028 0.000 1.127 393 F CB -0.461 38.551 39.000 0.020 0.000 1.178 393 F HN -0.297 nan 8.300 nan 0.000 0.779 394 L N 1.064 122.339 121.223 0.087 0.000 1.956 394 L HA -0.133 4.211 4.340 0.006 0.000 0.216 394 L C 2.265 179.106 176.870 -0.048 0.000 1.073 394 L CA 1.789 56.626 54.840 -0.005 0.000 0.762 394 L CB -0.973 41.072 42.059 -0.023 0.000 0.889 394 L HN 0.045 nan 8.230 nan 0.000 0.433 395 V N 0.230 120.083 119.914 -0.102 0.000 2.287 395 V HA -0.223 3.901 4.120 0.006 0.000 0.248 395 V C -0.080 175.936 176.094 -0.130 0.000 1.053 395 V CA 2.327 64.557 62.300 -0.117 0.000 1.027 395 V CB -1.708 29.952 31.823 -0.270 0.000 0.646 395 V HN 0.340 nan 8.190 nan 0.000 0.447 396 P HA -0.118 nan 4.420 nan 0.000 0.216 396 P C 1.844 179.088 177.300 -0.093 0.000 1.150 396 P CA 1.696 64.699 63.100 -0.162 0.000 0.837 396 P CB -0.169 31.395 31.700 -0.226 0.000 0.786 397 T N -0.724 113.790 114.554 -0.066 0.000 2.746 397 T HA -0.143 4.211 4.350 0.006 0.000 0.267 397 T C 1.613 176.268 174.700 -0.075 0.000 1.039 397 T CA 1.285 63.353 62.100 -0.054 0.000 1.142 397 T CB -0.608 68.222 68.868 -0.063 0.000 0.866 397 T HN 0.305 nan 8.240 nan 0.000 0.444 398 E N 0.282 120.449 120.200 -0.055 0.000 2.150 398 E HA -0.000 4.353 4.350 0.006 0.000 0.193 398 E C 2.080 178.664 176.600 -0.026 0.000 0.985 398 E CA 0.671 57.059 56.400 -0.021 0.000 0.814 398 E CB -0.149 29.577 29.700 0.044 0.000 0.752 398 E HN 0.486 nan 8.360 nan 0.000 0.466 399 I N 0.785 121.329 120.570 -0.043 0.000 2.315 399 I HA -0.214 3.960 4.170 0.006 0.000 0.248 399 I C 2.435 178.469 176.117 -0.139 0.000 1.117 399 I CA 0.786 62.048 61.300 -0.064 0.000 1.404 399 I CB -0.167 37.794 38.000 -0.065 0.000 1.071 399 I HN 0.074 nan 8.210 nan 0.000 0.419 400 A N 0.602 123.350 122.820 -0.121 0.000 1.929 400 A HA -0.111 4.213 4.320 0.006 0.000 0.216 400 A C 2.171 179.690 177.584 -0.108 0.000 1.176 400 A CA 1.027 52.983 52.037 -0.135 0.000 0.628 400 A CB -0.479 18.589 19.000 0.112 0.000 0.816 400 A HN 0.248 nan 8.150 nan 0.000 0.444 401 L N -0.269 120.863 121.223 -0.150 0.000 2.017 401 L HA -0.149 4.195 4.340 0.006 0.000 0.208 401 L C 2.960 179.619 176.870 -0.351 0.000 1.073 401 L CA 2.091 56.710 54.840 -0.367 0.000 0.745 401 L CB -1.531 40.106 42.059 -0.703 0.000 0.894 401 L HN 0.425 nan 8.230 nan 0.000 0.432 402 A N -1.246 121.482 122.820 -0.154 0.000 1.877 402 A HA -0.275 4.049 4.320 0.006 0.000 0.216 402 A C 2.258 179.828 177.584 -0.024 0.000 1.186 402 A CA 1.699 53.783 52.037 0.079 0.000 0.620 402 A CB -0.593 18.472 19.000 0.108 0.000 0.822 402 A HN 0.452 nan 8.150 nan 0.000 0.443 403 Q N -1.033 118.646 119.800 -0.201 0.000 2.226 403 Q HA -0.207 4.136 4.340 0.006 0.000 0.204 403 Q C 1.910 177.733 176.000 -0.294 0.000 0.975 403 Q CA 1.909 57.489 55.803 -0.372 0.000 0.866 403 Q CB -0.381 27.865 28.738 -0.820 0.000 0.915 403 Q HN 0.863 nan 8.270 nan 0.000 0.440 404 H N -0.830 118.091 119.070 -0.248 0.000 2.415 404 H HA 0.056 4.616 4.556 0.007 0.000 0.297 404 H C 1.653 177.014 175.328 0.056 0.000 1.048 404 H CA 0.805 56.874 56.048 0.034 0.000 1.365 404 H CB 0.415 30.275 29.762 0.163 0.000 1.421 404 H HN 0.075 nan 8.280 nan 0.000 0.533 405 R N 0.952 121.509 120.500 0.094 0.000 2.062 405 R HA -0.005 4.339 4.340 0.006 0.000 0.231 405 R C 2.408 178.711 176.300 0.007 0.000 1.136 405 R CA 1.168 57.325 56.100 0.095 0.000 0.948 405 R CB -1.070 29.398 30.300 0.280 0.000 0.845 405 R HN 0.390 nan 8.270 nan 0.000 0.430 406 A N 1.150 123.980 122.820 0.017 0.000 2.139 406 A HA -0.142 4.182 4.320 0.006 0.000 0.221 406 A C 1.481 179.047 177.584 -0.030 0.000 1.159 406 A CA 1.537 53.570 52.037 -0.006 0.000 0.662 406 A CB -0.316 18.677 19.000 -0.010 0.000 0.796 406 A HN 0.378 nan 8.150 nan 0.000 0.463 407 N N -1.030 117.634 118.700 -0.060 0.000 2.171 407 N HA 0.232 4.975 4.740 0.006 0.000 0.212 407 N C 0.500 175.945 175.510 -0.109 0.000 1.184 407 N CA 0.564 53.578 53.050 -0.059 0.000 0.888 407 N CB 0.332 38.812 38.487 -0.012 0.000 1.038 407 N HN 0.417 nan 8.380 nan 0.000 0.517 408 A N 1.367 124.092 122.820 -0.158 0.000 2.507 408 A HA 0.121 4.445 4.320 0.006 0.000 0.235 408 A C 0.942 178.480 177.584 -0.077 0.000 1.070 408 A CA 0.578 52.518 52.037 -0.162 0.000 0.768 408 A CB 0.727 19.646 19.000 -0.135 0.000 1.011 408 A HN 0.155 nan 8.150 nan 0.000 0.502 409 K N -0.239 120.126 120.400 -0.060 0.000 2.830 409 K HA 0.081 4.405 4.320 0.006 0.000 0.250 409 K C 2.048 178.638 176.600 -0.017 0.000 1.395 409 K CA 0.644 56.911 56.287 -0.032 0.000 0.886 409 K CB 0.046 32.528 32.500 -0.031 0.000 1.889 409 K HN 0.759 nan 8.250 nan 0.000 0.368 410 S N 0.998 116.693 115.700 -0.009 0.000 2.478 410 S HA 0.209 4.683 4.470 0.006 0.000 0.222 410 S C 0.904 175.524 174.600 0.032 0.000 1.008 410 S CA -0.135 58.071 58.200 0.009 0.000 0.928 410 S CB -0.003 63.202 63.200 0.008 0.000 0.781 410 S HN 0.320 nan 8.310 nan 0.000 0.518 411 A N 2.623 125.462 122.820 0.032 0.000 2.548 411 A HA 0.276 4.599 4.320 0.006 0.000 0.247 411 A C 0.379 178.051 177.584 0.146 0.000 1.067 411 A CA -0.004 52.096 52.037 0.106 0.000 0.757 411 A CB -0.014 19.044 19.000 0.097 0.000 0.996 411 A HN 0.520 nan 8.150 nan 0.000 0.504 412 K N 1.318 121.844 120.400 0.211 0.000 2.090 412 K HA 0.549 4.873 4.320 0.006 0.000 0.250 412 K C -0.503 176.240 176.600 0.238 0.000 1.004 412 K CA -0.216 56.166 56.287 0.157 0.000 0.919 412 K CB 1.203 33.825 32.500 0.204 0.000 1.045 412 K HN 0.665 nan 8.250 nan 0.000 0.471 413 T N 1.557 116.106 114.554 -0.008 0.000 2.881 413 T HA 0.453 4.807 4.350 0.006 0.000 0.290 413 T C -1.449 173.084 174.700 -0.279 0.000 1.000 413 T CA -0.693 61.438 62.100 0.052 0.000 0.978 413 T CB 0.431 69.441 68.868 0.238 0.000 0.997 413 T HN 0.317 nan 8.240 nan 0.000 0.443 414 Y N 0.741 120.918 120.300 -0.205 0.000 2.477 414 Y HA 0.712 5.266 4.550 0.006 0.000 0.347 414 Y C 0.045 175.876 175.900 -0.116 0.000 0.981 414 Y CA -1.096 56.825 58.100 -0.298 0.000 1.033 414 Y CB 1.946 39.829 38.460 -0.963 0.000 1.245 414 Y HN 0.845 nan 8.280 nan 0.000 0.455 415 A N 2.529 125.602 122.820 0.421 0.000 2.380 415 A HA 0.900 5.224 4.320 0.006 0.000 0.315 415 A C -1.840 176.121 177.584 0.628 0.000 1.101 415 A CA -0.699 51.542 52.037 0.341 0.000 0.771 415 A CB 1.199 20.343 19.000 0.239 0.000 1.287 415 A HN 0.775 nan 8.150 nan 0.000 0.436 416 Y N -0.604 119.867 120.300 0.286 0.000 2.615 416 Y HA 0.791 5.345 4.550 0.006 0.000 0.341 416 Y C -1.702 174.198 175.900 0.000 0.000 1.089 416 Y CA -1.709 56.465 58.100 0.122 0.000 1.049 416 Y CB 1.484 39.982 38.460 0.064 0.000 1.296 416 Y HN 0.640 nan 8.280 nan 0.000 0.470 417 L N 3.737 125.100 121.223 0.234 0.000 2.439 417 L HA 0.461 4.804 4.340 0.006 0.000 0.270 417 L C -1.925 175.129 176.870 0.305 0.000 0.972 417 L CA -0.681 54.192 54.840 0.054 0.000 0.836 417 L CB 1.630 43.527 42.059 -0.269 0.000 1.255 417 L HN 0.844 nan 8.230 nan 0.000 0.404 418 F N 3.609 123.699 119.950 0.234 0.000 2.391 418 F HA 0.320 4.850 4.527 0.006 0.000 0.359 418 F C 0.506 176.344 175.800 0.063 0.000 1.122 418 F CA 0.102 58.183 58.000 0.134 0.000 1.120 418 F CB 1.398 40.489 39.000 0.152 0.000 1.142 418 F HN 0.419 nan 8.300 nan 0.000 0.483 419 S N 3.071 118.449 115.700 -0.536 0.000 2.666 419 S HA 0.035 4.509 4.470 0.006 0.000 0.239 419 S C -0.225 174.077 174.600 -0.496 0.000 1.031 419 S CA -0.266 57.702 58.200 -0.388 0.000 1.015 419 S CB -0.579 62.526 63.200 -0.160 0.000 0.981 419 S HN 0.737 nan 8.310 nan 0.000 0.547 420 H N 4.404 122.855 119.070 -1.032 0.000 2.848 420 H HA 0.264 4.824 4.556 0.006 0.000 0.341 420 H C -2.722 172.373 175.328 -0.388 0.000 1.060 420 H CA -0.724 54.926 56.048 -0.663 0.000 1.444 420 H CB 0.665 29.971 29.762 -0.760 0.000 1.446 420 H HN 0.061 nan 8.280 nan 0.000 0.583 421 P HA 0.173 nan 4.420 nan 0.000 0.296 421 P C -0.555 176.495 177.300 -0.418 0.000 1.301 421 P CA -0.635 62.218 63.100 -0.411 0.000 0.862 421 P CB 2.129 33.682 31.700 -0.246 0.000 1.046 422 S N 1.611 117.273 115.700 -0.064 0.000 2.520 422 S HA 0.208 4.682 4.470 0.006 0.000 0.219 422 S C 0.632 175.249 174.600 0.028 0.000 1.028 422 S CA 0.037 58.287 58.200 0.084 0.000 0.921 422 S CB 0.176 63.527 63.200 0.252 0.000 0.844 422 S HN 0.439 nan 8.310 nan 0.000 0.495 423 R N 0.380 120.885 120.500 0.008 0.000 2.771 423 R HA 0.432 4.776 4.340 0.006 0.000 0.274 423 R C -0.963 175.341 176.300 0.007 0.000 0.987 423 R CA -0.823 55.280 56.100 0.005 0.000 0.908 423 R CB 0.871 31.179 30.300 0.014 0.000 1.213 423 R HN 0.149 nan 8.270 nan 0.000 0.468 424 M N 3.402 123.003 119.600 0.001 0.000 2.252 424 M HA 0.117 4.601 4.480 0.006 0.000 0.348 424 M C -1.711 174.610 176.300 0.034 0.000 1.334 424 M CA -1.196 54.107 55.300 0.005 0.000 1.071 424 M CB -0.571 32.022 32.600 -0.013 0.000 1.763 424 M HN 0.402 nan 8.290 nan 0.000 0.452 425 P HA 0.231 nan 4.420 nan 0.000 0.289 425 P C 0.840 178.185 177.300 0.075 0.000 1.299 425 P CA -0.445 62.741 63.100 0.144 0.000 0.766 425 P CB 0.471 32.296 31.700 0.208 0.000 1.226 426 V N -2.991 116.989 119.914 0.109 0.000 2.302 426 V HA 0.028 4.152 4.120 0.006 0.000 0.243 426 V C 0.719 176.605 176.094 -0.347 0.000 1.036 426 V CA 0.960 63.192 62.300 -0.113 0.000 1.020 426 V CB -1.704 30.070 31.823 -0.082 0.000 0.657 426 V HN 0.287 nan 8.190 nan 0.000 0.453 427 Y N 1.820 121.891 120.300 -0.381 0.000 2.361 427 Y HA 0.515 5.068 4.550 0.006 0.000 0.332 427 Y C -1.316 174.467 175.900 -0.195 0.000 1.101 427 Y CA -2.225 55.606 58.100 -0.449 0.000 1.137 427 Y CB 1.162 39.043 38.460 -0.965 0.000 1.207 427 Y HN 0.020 nan 8.280 nan 0.000 0.463 428 P HA -0.187 nan 4.420 nan 0.000 0.226 428 P C 0.867 178.221 177.300 0.090 0.000 1.146 428 P CA 1.391 64.515 63.100 0.039 0.000 0.773 428 P CB 0.509 32.216 31.700 0.012 0.000 0.772 429 K N -1.268 119.215 120.400 0.138 0.000 2.348 429 K HA 0.035 4.359 4.320 0.006 0.000 0.194 429 K C 1.048 177.849 176.600 0.334 0.000 1.052 429 K CA 0.226 56.630 56.287 0.194 0.000 1.004 429 K CB -0.413 32.197 32.500 0.184 0.000 0.873 429 K HN -0.098 nan 8.250 nan 0.000 0.523 430 W N 1.743 123.072 121.300 0.049 0.000 3.446 430 W HA 0.189 4.852 4.660 0.006 0.000 0.298 430 W C 0.201 176.738 176.519 0.030 0.000 1.299 430 W CA -1.078 56.280 57.345 0.023 0.000 1.686 430 W CB -1.212 28.277 29.460 0.048 0.000 1.046 430 W HN -0.197 nan 8.180 nan 0.000 0.746 431 V N 1.437 121.480 119.914 0.216 0.000 2.763 431 V HA 0.547 4.671 4.120 0.006 0.000 0.306 431 V C 0.798 176.927 176.094 0.057 0.000 1.059 431 V CA 1.519 63.884 62.300 0.108 0.000 1.138 431 V CB 0.538 32.394 31.823 0.054 0.000 0.940 431 V HN 0.364 nan 8.190 nan 0.000 0.489 432 G N 4.005 112.812 108.800 0.012 0.000 2.368 432 G HA2 0.587 4.551 3.960 0.006 0.000 0.269 432 G HA3 0.587 4.551 3.960 0.006 0.000 0.269 432 G C -0.952 173.931 174.900 -0.029 0.000 1.291 432 G CA -0.187 44.891 45.100 -0.037 0.000 0.903 432 G HN 1.708 nan 8.290 nan 0.000 0.483 433 A N -0.252 122.571 122.820 0.004 0.000 2.342 433 A HA 0.764 5.088 4.320 0.006 0.000 0.323 433 A C -0.406 177.288 177.584 0.183 0.000 1.125 433 A CA -0.485 51.625 52.037 0.122 0.000 0.785 433 A CB 1.070 20.213 19.000 0.237 0.000 1.221 433 A HN 0.544 nan 8.150 nan 0.000 0.463 434 D N -0.076 120.439 120.400 0.193 0.000 2.478 434 D HA 0.157 4.801 4.640 0.006 0.000 0.269 434 D C -0.409 176.008 176.300 0.195 0.000 1.232 434 D CA -0.027 54.086 54.000 0.189 0.000 1.059 434 D CB 0.413 41.294 40.800 0.135 0.000 1.104 434 D HN 0.693 nan 8.370 nan 0.000 0.566 435 H N -0.508 118.596 119.070 0.056 0.000 2.964 435 H HA 0.243 4.801 4.556 0.005 0.000 0.328 435 H C 0.648 176.001 175.328 0.041 0.000 1.030 435 H CA 0.878 56.933 56.048 0.011 0.000 1.445 435 H CB 0.278 30.084 29.762 0.073 0.000 1.449 435 H HN 0.507 nan 8.280 nan 0.000 0.581 436 A N 3.993 126.604 122.820 -0.348 0.000 3.737 436 A HA -0.288 4.035 4.320 0.006 0.000 0.260 436 A C 2.002 179.574 177.584 -0.020 0.000 1.021 436 A CA 1.261 53.170 52.037 -0.214 0.000 1.356 436 A CB -2.121 16.765 19.000 -0.190 0.000 1.043 436 A HN 0.727 nan 8.150 nan 0.000 0.877 437 D N 1.142 121.587 120.400 0.075 0.000 2.228 437 D HA -0.136 4.508 4.640 0.006 0.000 0.203 437 D C 1.711 178.138 176.300 0.211 0.000 0.988 437 D CA 1.566 55.693 54.000 0.212 0.000 0.864 437 D CB -0.325 40.687 40.800 0.354 0.000 0.928 437 D HN 0.875 nan 8.370 nan 0.000 0.469 438 D N 0.361 120.727 120.400 -0.057 0.000 2.178 438 D HA -0.153 4.490 4.640 0.006 0.000 0.202 438 D C 2.234 178.457 176.300 -0.129 0.000 0.974 438 D CA 0.373 54.114 54.000 -0.431 0.000 0.841 438 D CB -0.487 39.981 40.800 -0.553 0.000 0.953 438 D HN 0.286 nan 8.370 nan 0.000 0.478 439 I N 1.854 122.433 120.570 0.015 0.000 2.118 439 I HA -0.355 3.819 4.170 0.006 0.000 0.241 439 I C 2.882 179.031 176.117 0.054 0.000 1.070 439 I CA 1.955 63.316 61.300 0.101 0.000 1.327 439 I CB -0.562 37.521 38.000 0.138 0.000 1.034 439 I HN 0.085 nan 8.210 nan 0.000 0.405 440 Q N 0.106 119.873 119.800 -0.056 0.000 2.297 440 Q HA -0.233 4.111 4.340 0.006 0.000 0.208 440 Q C 1.815 177.587 176.000 -0.381 0.000 0.981 440 Q CA 1.784 57.460 55.803 -0.212 0.000 0.876 440 Q CB -0.530 28.046 28.738 -0.269 0.000 0.921 440 Q HN 0.555 nan 8.270 nan 0.000 0.446 441 Y N 0.420 120.626 120.300 -0.157 0.000 2.301 441 Y HA 0.000 4.554 4.550 0.006 0.000 0.295 441 Y C 2.445 178.183 175.900 -0.270 0.000 1.119 441 Y CA 0.504 58.479 58.100 -0.210 0.000 1.162 441 Y CB 0.073 38.411 38.460 -0.203 0.000 1.046 441 Y HN -0.095 nan 8.280 nan 0.000 0.538 442 V N -0.749 119.036 119.914 -0.216 0.000 2.407 442 V HA -0.286 3.838 4.120 0.006 0.000 0.248 442 V C 1.415 177.249 176.094 -0.434 0.000 1.055 442 V CA 1.701 63.752 62.300 -0.415 0.000 1.049 442 V CB -0.682 30.890 31.823 -0.418 0.000 0.662 442 V HN 0.290 nan 8.190 nan 0.000 0.455 443 F N 0.536 120.355 119.950 -0.220 0.000 2.773 443 F HA 0.391 4.923 4.527 0.008 0.000 0.304 443 F C 1.799 177.492 175.800 -0.179 0.000 1.129 443 F CA 0.591 58.461 58.000 -0.216 0.000 1.378 443 F CB -0.359 38.476 39.000 -0.275 0.000 1.095 443 F HN 0.265 nan 8.300 nan 0.000 0.565 444 G N 0.656 109.408 108.800 -0.080 0.000 2.249 444 G HA2 -0.342 3.622 3.960 0.006 0.000 0.273 444 G HA3 -0.342 3.622 3.960 0.006 0.000 0.273 444 G C 1.474 176.343 174.900 -0.052 0.000 1.036 444 G CA 0.370 45.476 45.100 0.011 0.000 0.824 444 G HN 0.189 nan 8.290 nan 0.000 0.504 445 K N -0.200 120.057 120.400 -0.239 0.000 2.103 445 K HA -0.096 4.228 4.320 0.006 0.000 0.207 445 K C 0.019 176.283 176.600 -0.560 0.000 1.048 445 K CA 1.778 57.868 56.287 -0.328 0.000 0.930 445 K CB -1.035 31.247 32.500 -0.363 0.000 0.716 445 K HN 0.397 nan 8.250 nan 0.000 0.444 446 P HA -0.111 nan 4.420 nan 0.000 0.219 446 P C 1.057 177.994 177.300 -0.604 0.000 1.146 446 P CA 1.192 63.685 63.100 -1.012 0.000 0.808 446 P CB -0.036 31.085 31.700 -0.965 0.000 0.779 447 F N -1.010 118.818 119.950 -0.203 0.000 2.317 447 F HA 0.173 4.704 4.527 0.006 0.000 0.290 447 F C 2.473 178.235 175.800 -0.063 0.000 1.075 447 F CA 0.614 58.556 58.000 -0.097 0.000 1.380 447 F CB -1.216 37.731 39.000 -0.089 0.000 1.093 447 F HN -0.186 nan 8.300 nan 0.000 0.524 448 A N -0.175 122.703 122.820 0.097 0.000 1.873 448 A HA -0.185 4.138 4.320 0.006 0.000 0.218 448 A C 1.431 179.047 177.584 0.053 0.000 1.193 448 A CA 2.188 54.261 52.037 0.061 0.000 0.629 448 A CB -1.403 17.611 19.000 0.023 0.000 0.826 448 A HN 0.314 nan 8.150 nan 0.000 0.447 449 T N -3.941 110.639 114.554 0.043 0.000 3.401 449 T HA 0.447 4.801 4.350 0.006 0.000 0.341 449 T C -1.624 173.143 174.700 0.112 0.000 1.674 449 T CA -1.012 61.135 62.100 0.078 0.000 1.600 449 T CB 1.384 70.310 68.868 0.096 0.000 0.974 449 T HN 0.239 nan 8.240 nan 0.000 0.672 450 P HA -0.192 nan 4.420 nan 0.000 0.217 450 P C 1.431 178.768 177.300 0.062 0.000 1.148 450 P CA 1.294 64.410 63.100 0.026 0.000 0.834 450 P CB -0.087 31.617 31.700 0.008 0.000 0.783 451 T N -0.905 113.678 114.554 0.049 0.000 3.007 451 T HA 0.001 4.355 4.350 0.006 0.000 0.270 451 T C 1.686 176.382 174.700 -0.008 0.000 1.107 451 T CA 1.535 63.647 62.100 0.020 0.000 1.118 451 T CB -0.695 68.180 68.868 0.011 0.000 0.889 451 T HN 0.269 nan 8.240 nan 0.000 0.506 452 G N -0.902 107.900 108.800 0.003 0.000 3.337 452 G HA2 0.360 4.324 3.960 0.006 0.000 0.246 452 G HA3 0.360 4.324 3.960 0.006 0.000 0.246 452 G C -0.350 174.277 174.900 -0.454 0.000 1.131 452 G CA -0.199 44.791 45.100 -0.184 0.000 0.773 452 G HN 0.369 nan 8.290 nan 0.000 0.544 453 Y N -0.768 119.492 120.300 -0.067 0.000 2.634 453 Y HA 0.617 5.170 4.550 0.006 0.000 0.340 453 Y C 0.424 176.297 175.900 -0.046 0.000 1.058 453 Y CA -1.237 56.825 58.100 -0.064 0.000 1.081 453 Y CB 1.477 39.866 38.460 -0.118 0.000 1.295 453 Y HN -0.154 nan 8.280 nan 0.000 0.487 454 R N 1.239 121.830 120.500 0.151 0.000 2.500 454 R HA 0.304 4.648 4.340 0.006 0.000 0.277 454 R C -2.015 174.331 176.300 0.077 0.000 1.026 454 R CA -1.668 54.488 56.100 0.093 0.000 1.058 454 R CB 0.521 30.883 30.300 0.105 0.000 1.078 454 R HN 0.333 nan 8.270 nan 0.000 0.509 455 P HA -0.258 nan 4.420 nan 0.000 0.216 455 P C 0.847 178.155 177.300 0.013 0.000 1.150 455 P CA 1.410 64.514 63.100 0.006 0.000 0.837 455 P CB 0.169 31.878 31.700 0.014 0.000 0.786 456 Q N -0.604 119.230 119.800 0.057 0.000 2.124 456 Q HA -0.196 4.148 4.340 0.006 0.000 0.202 456 Q C 1.379 177.390 176.000 0.019 0.000 0.977 456 Q CA 1.553 57.391 55.803 0.059 0.000 0.850 456 Q CB -1.115 27.707 28.738 0.141 0.000 0.901 456 Q HN 0.227 nan 8.270 nan 0.000 0.429 457 D N 0.870 121.354 120.400 0.141 0.000 2.144 457 D HA -0.136 4.508 4.640 0.006 0.000 0.199 457 D C 1.921 178.242 176.300 0.034 0.000 0.984 457 D CA 1.117 55.268 54.000 0.252 0.000 0.834 457 D CB -0.117 40.945 40.800 0.436 0.000 0.955 457 D HN 0.250 nan 8.370 nan 0.000 0.465 458 R N 0.158 120.571 120.500 -0.145 0.000 2.092 458 R HA -0.035 4.309 4.340 0.006 0.000 0.231 458 R C 2.270 178.512 176.300 -0.096 0.000 1.119 458 R CA 1.218 57.071 56.100 -0.411 0.000 0.970 458 R CB -0.253 29.721 30.300 -0.544 0.000 0.864 458 R HN 0.033 nan 8.270 nan 0.000 0.440 459 T N -0.269 114.263 114.554 -0.036 0.000 2.746 459 T HA -0.102 4.252 4.350 0.006 0.000 0.267 459 T C 1.746 176.440 174.700 -0.009 0.000 1.039 459 T CA 1.442 63.549 62.100 0.012 0.000 1.142 459 T CB -0.140 68.721 68.868 -0.012 0.000 0.866 459 T HN -0.008 nan 8.240 nan 0.000 0.444 460 V N 1.110 120.961 119.914 -0.105 0.000 2.343 460 V HA -0.157 3.966 4.120 0.006 0.000 0.247 460 V C 2.705 178.801 176.094 0.003 0.000 1.051 460 V CA 1.930 64.131 62.300 -0.165 0.000 1.036 460 V CB -0.756 30.733 31.823 -0.557 0.000 0.654 460 V HN 0.483 nan 8.190 nan 0.000 0.451 461 S N -0.566 115.224 115.700 0.150 0.000 2.356 461 S HA -0.287 4.186 4.470 0.006 0.000 0.223 461 S C 2.168 176.863 174.600 0.158 0.000 1.032 461 S CA 2.187 60.504 58.200 0.195 0.000 1.005 461 S CB -0.317 62.992 63.200 0.182 0.000 0.867 461 S HN 0.588 nan 8.310 nan 0.000 0.449 462 K N 0.403 120.958 120.400 0.260 0.000 2.103 462 K HA -0.089 4.235 4.320 0.006 0.000 0.207 462 K C 2.125 178.731 176.600 0.011 0.000 1.048 462 K CA 1.267 57.634 56.287 0.132 0.000 0.930 462 K CB -0.471 32.143 32.500 0.190 0.000 0.716 462 K HN 0.415 nan 8.250 nan 0.000 0.444 463 A N 1.238 124.070 122.820 0.019 0.000 1.855 463 A HA -0.132 4.192 4.320 0.006 0.000 0.215 463 A C 2.168 179.784 177.584 0.052 0.000 1.191 463 A CA 1.495 53.526 52.037 -0.009 0.000 0.613 463 A CB -0.459 18.575 19.000 0.056 0.000 0.829 463 A HN 0.292 nan 8.150 nan 0.000 0.442 464 M N -0.701 118.910 119.600 0.018 0.000 2.108 464 M HA -0.140 4.344 4.480 0.006 0.000 0.261 464 M C 2.157 178.368 176.300 -0.149 0.000 1.066 464 M CA 1.581 56.791 55.300 -0.150 0.000 1.107 464 M CB -0.635 31.671 32.600 -0.489 0.000 1.356 464 M HN 0.407 nan 8.290 nan 0.000 0.406 465 I N 0.003 120.494 120.570 -0.132 0.000 2.286 465 I HA -0.244 3.930 4.170 0.006 0.000 0.248 465 I C 2.661 178.792 176.117 0.023 0.000 1.115 465 I CA 1.067 62.312 61.300 -0.092 0.000 1.392 465 I CB -0.451 37.473 38.000 -0.127 0.000 1.065 465 I HN 0.241 nan 8.210 nan 0.000 0.418 466 A N 0.198 123.014 122.820 -0.008 0.000 1.873 466 A HA -0.220 4.104 4.320 0.006 0.000 0.215 466 A C 2.164 179.786 177.584 0.063 0.000 1.186 466 A CA 1.401 53.416 52.037 -0.037 0.000 0.616 466 A CB -1.023 17.886 19.000 -0.153 0.000 0.823 466 A HN 0.375 nan 8.150 nan 0.000 0.442 467 Y N -1.670 118.772 120.300 0.236 0.000 2.114 467 Y HA -0.293 4.261 4.550 0.006 0.000 0.284 467 Y C 2.587 178.731 175.900 0.407 0.000 1.143 467 Y CA 1.543 59.866 58.100 0.371 0.000 1.135 467 Y CB -0.317 38.511 38.460 0.614 0.000 0.980 467 Y HN 0.432 nan 8.280 nan 0.000 0.499 468 W N 0.208 121.623 121.300 0.191 0.000 2.335 468 W HA -0.237 4.426 4.660 0.005 0.000 0.311 468 W C 2.468 179.020 176.519 0.056 0.000 1.213 468 W CA 1.658 59.052 57.345 0.082 0.000 1.274 468 W CB -0.574 28.868 29.460 -0.030 0.000 1.148 468 W HN 0.190 nan 8.180 nan 0.000 0.498 469 T N -3.021 111.675 114.554 0.236 0.000 3.088 469 T HA -0.027 4.327 4.350 0.006 0.000 0.259 469 T C 1.236 175.975 174.700 0.065 0.000 1.122 469 T CA 0.718 62.871 62.100 0.089 0.000 1.095 469 T CB -0.310 68.574 68.868 0.026 0.000 0.930 469 T HN -0.085 nan 8.240 nan 0.000 0.508 470 N N 0.645 119.409 118.700 0.106 0.000 2.251 470 N HA 0.141 4.885 4.740 0.006 0.000 0.181 470 N C 1.197 176.744 175.510 0.062 0.000 1.019 470 N CA 0.449 53.540 53.050 0.068 0.000 0.862 470 N CB -0.558 37.979 38.487 0.083 0.000 0.992 470 N HN 0.412 nan 8.380 nan 0.000 0.429 471 F N 2.028 121.930 119.950 -0.080 0.000 2.095 471 F HA -0.106 4.425 4.527 0.006 0.000 0.298 471 F C 2.132 177.855 175.800 -0.129 0.000 1.104 471 F CA 1.465 59.356 58.000 -0.181 0.000 1.232 471 F CB -0.597 38.213 39.000 -0.316 0.000 0.987 471 F HN 0.033 nan 8.300 nan 0.000 0.475 472 A N 0.223 122.973 122.820 -0.117 0.000 1.908 472 A HA -0.263 4.061 4.320 0.006 0.000 0.218 472 A C 2.374 179.837 177.584 -0.202 0.000 1.181 472 A CA 2.032 53.939 52.037 -0.216 0.000 0.627 472 A CB -0.900 18.043 19.000 -0.095 0.000 0.818 472 A HN 0.500 nan 8.150 nan 0.000 0.445 473 K N -1.010 119.320 120.400 -0.117 0.000 2.031 473 K HA -0.126 4.198 4.320 0.006 0.000 0.205 473 K C 1.897 178.437 176.600 -0.100 0.000 1.049 473 K CA 1.959 58.196 56.287 -0.083 0.000 0.939 473 K CB -0.120 32.359 32.500 -0.036 0.000 0.717 473 K HN 0.635 nan 8.250 nan 0.000 0.438 474 T N -5.165 109.321 114.554 -0.114 0.000 2.955 474 T HA 0.264 4.618 4.350 0.006 0.000 0.251 474 T C 1.150 175.773 174.700 -0.128 0.000 1.002 474 T CA 0.569 62.616 62.100 -0.089 0.000 0.970 474 T CB 0.974 69.827 68.868 -0.024 0.000 1.091 474 T HN 0.341 nan 8.240 nan 0.000 0.495 475 G N 1.075 109.718 108.800 -0.262 0.000 2.176 475 G HA2 -0.140 3.824 3.960 0.006 0.000 0.232 475 G HA3 -0.140 3.824 3.960 0.006 0.000 0.232 475 G C -0.369 174.553 174.900 0.036 0.000 0.986 475 G CA 0.094 45.015 45.100 -0.299 0.000 0.643 475 G HN 0.725 nan 8.290 nan 0.000 0.522 476 D N 0.038 120.455 120.400 0.030 0.000 2.542 476 D HA 0.493 5.137 4.640 0.006 0.000 0.252 476 D C -1.500 174.790 176.300 -0.016 0.000 1.222 476 D CA -1.744 52.282 54.000 0.044 0.000 0.895 476 D CB 2.054 42.924 40.800 0.116 0.000 1.207 476 D HN -0.017 nan 8.370 nan 0.000 0.558 477 P HA -0.080 nan 4.420 nan 0.000 0.219 477 P C 0.971 178.389 177.300 0.195 0.000 1.146 477 P CA 0.849 63.959 63.100 0.016 0.000 0.808 477 P CB 0.386 31.980 31.700 -0.177 0.000 0.779 478 N N -1.276 117.517 118.700 0.155 0.000 2.331 478 N HA -0.011 4.733 4.740 0.006 0.000 0.180 478 N C 0.706 176.292 175.510 0.127 0.000 1.019 478 N CA 0.886 54.048 53.050 0.187 0.000 0.881 478 N CB -0.098 38.528 38.487 0.232 0.000 0.972 478 N HN 0.276 nan 8.380 nan 0.000 0.435 479 M N 0.396 120.057 119.600 0.101 0.000 2.205 479 M HA 0.466 4.950 4.480 0.006 0.000 0.344 479 M C 0.478 176.805 176.300 0.045 0.000 1.085 479 M CA -0.365 54.978 55.300 0.073 0.000 1.001 479 M CB 2.272 34.916 32.600 0.075 0.000 1.626 479 M HN 0.084 nan 8.290 nan 0.000 0.442 480 G N 1.890 110.710 108.800 0.033 0.000 2.367 480 G HA2 0.021 3.985 3.960 0.006 0.000 0.272 480 G HA3 0.021 3.985 3.960 0.006 0.000 0.272 480 G C -0.748 174.159 174.900 0.011 0.000 1.271 480 G CA -0.572 44.538 45.100 0.018 0.000 0.893 480 G HN 0.536 nan 8.290 nan 0.000 0.485 481 D N 0.268 120.670 120.400 0.003 0.000 2.347 481 D HA 0.177 4.821 4.640 0.006 0.000 0.215 481 D C 0.868 177.161 176.300 -0.013 0.000 0.976 481 D CA 1.068 55.066 54.000 -0.003 0.000 0.884 481 D CB 0.328 41.125 40.800 -0.005 0.000 0.915 481 D HN 0.183 nan 8.370 nan 0.000 0.526 482 S N 0.084 115.772 115.700 -0.020 0.000 2.472 482 S HA 0.621 5.095 4.470 0.006 0.000 0.303 482 S C -0.088 174.483 174.600 -0.048 0.000 1.099 482 S CA -0.847 57.328 58.200 -0.041 0.000 1.077 482 S CB 2.385 65.549 63.200 -0.059 0.000 1.031 482 S HN 0.182 nan 8.310 nan 0.000 0.487 483 A N 2.173 124.963 122.820 -0.049 0.000 2.407 483 A HA 0.609 4.933 4.320 0.006 0.000 0.248 483 A C 0.178 177.699 177.584 -0.106 0.000 1.082 483 A CA -0.478 51.531 52.037 -0.046 0.000 0.785 483 A CB -0.017 18.967 19.000 -0.027 0.000 1.020 483 A HN 1.053 nan 8.150 nan 0.000 0.489 484 V N 0.069 119.915 119.914 -0.115 0.000 2.769 484 V HA 0.643 4.767 4.120 0.006 0.000 0.312 484 V C -1.473 174.574 176.094 -0.079 0.000 1.061 484 V CA -1.298 60.852 62.300 -0.249 0.000 0.931 484 V CB 1.415 33.001 31.823 -0.395 0.000 1.010 484 V HN 0.782 nan 8.190 nan 0.000 0.433 485 P HA 0.028 nan 4.420 nan 0.000 0.223 485 P C 0.516 177.878 177.300 0.103 0.000 1.151 485 P CA 1.470 64.594 63.100 0.040 0.000 0.787 485 P CB 0.294 32.023 31.700 0.049 0.000 0.788 486 T N -1.809 112.852 114.554 0.179 0.000 3.047 486 T HA 0.080 4.434 4.350 0.006 0.000 0.340 486 T C -1.114 173.778 174.700 0.321 0.000 1.421 486 T CA -0.767 61.465 62.100 0.219 0.000 1.090 486 T CB 0.807 69.779 68.868 0.174 0.000 1.292 486 T HN 0.092 nan 8.240 nan 0.000 0.480 487 H N 3.338 122.541 119.070 0.223 0.000 3.001 487 H HA 0.112 4.673 4.556 0.007 0.000 0.334 487 H C -1.006 174.539 175.328 0.363 0.000 1.034 487 H CA 0.517 56.732 56.048 0.278 0.000 1.420 487 H CB 0.432 30.313 29.762 0.199 0.000 1.405 487 H HN 0.597 nan 8.280 nan 0.000 0.593 488 W N 6.730 127.796 121.300 -0.390 0.000 2.278 488 W HA 0.200 4.863 4.660 0.006 0.000 0.317 488 W C -0.812 175.549 176.519 -0.264 0.000 1.030 488 W CA -1.114 56.119 57.345 -0.187 0.000 1.334 488 W CB 0.206 29.614 29.460 -0.087 0.000 1.215 488 W HN 0.642 nan 8.180 nan 0.000 0.405 489 E N 7.128 127.527 120.200 0.332 0.000 2.259 489 E HA 0.327 4.681 4.350 0.006 0.000 0.281 489 E C -2.219 174.501 176.600 0.199 0.000 1.037 489 E CA -2.267 54.301 56.400 0.281 0.000 0.854 489 E CB 0.835 30.716 29.700 0.301 0.000 1.051 489 E HN 0.064 nan 8.360 nan 0.000 0.409 490 P HA -0.084 nan 4.420 nan 0.000 0.265 490 P C -1.187 176.039 177.300 -0.123 0.000 1.187 490 P CA 0.366 63.202 63.100 -0.440 0.000 0.766 490 P CB 0.109 31.573 31.700 -0.393 0.000 0.820 491 Y N 3.199 123.357 120.300 -0.238 0.000 2.359 491 Y HA 0.390 4.944 4.550 0.007 0.000 0.330 491 Y C 0.294 176.163 175.900 -0.051 0.000 1.143 491 Y CA 0.344 58.411 58.100 -0.056 0.000 1.318 491 Y CB 0.580 39.039 38.460 -0.002 0.000 1.234 491 Y HN 0.436 nan 8.280 nan 0.000 0.522 492 T N 0.663 114.929 114.554 -0.481 0.000 2.900 492 T HA 0.217 4.571 4.350 0.006 0.000 0.303 492 T C 0.601 174.971 174.700 -0.551 0.000 1.142 492 T CA -0.386 61.535 62.100 -0.298 0.000 1.007 492 T CB 1.372 70.154 68.868 -0.144 0.000 1.156 492 T HN 0.627 nan 8.240 nan 0.000 0.490 493 T N 1.680 116.095 114.554 -0.233 0.000 2.653 493 T HA -0.171 4.183 4.350 0.006 0.000 0.268 493 T C 1.497 176.086 174.700 -0.184 0.000 1.035 493 T CA 2.348 64.355 62.100 -0.155 0.000 1.154 493 T CB -0.477 68.369 68.868 -0.036 0.000 0.862 493 T HN 0.804 nan 8.240 nan 0.000 0.441 494 E N 1.895 122.008 120.200 -0.146 0.000 1.997 494 E HA -0.140 4.214 4.350 0.006 0.000 0.201 494 E C 2.343 178.864 176.600 -0.132 0.000 1.011 494 E CA 1.385 57.721 56.400 -0.107 0.000 0.847 494 E CB -0.489 29.166 29.700 -0.075 0.000 0.787 494 E HN 0.553 nan 8.360 nan 0.000 0.472 495 N N 1.220 119.831 118.700 -0.149 0.000 2.084 495 N HA -0.213 4.531 4.740 0.006 0.000 0.190 495 N C 0.462 175.864 175.510 -0.181 0.000 1.030 495 N CA 1.953 54.928 53.050 -0.126 0.000 0.849 495 N CB -0.483 37.952 38.487 -0.087 0.000 1.012 495 N HN 0.186 nan 8.380 nan 0.000 0.423 496 S N -1.816 113.642 115.700 -0.404 0.000 3.486 496 S HA -0.112 4.362 4.470 0.006 0.000 0.371 496 S C 0.381 174.943 174.600 -0.064 0.000 1.001 496 S CA 0.686 58.548 58.200 -0.564 0.000 1.164 496 S CB -2.390 60.602 63.200 -0.347 0.000 0.911 496 S HN 0.857 nan 8.310 nan 0.000 0.472 497 G N 0.370 109.174 108.800 0.006 0.000 2.462 497 G HA2 0.678 4.642 3.960 0.006 0.000 0.319 497 G HA3 0.678 4.642 3.960 0.006 0.000 0.319 497 G C -0.604 174.459 174.900 0.272 0.000 1.171 497 G CA -0.623 44.524 45.100 0.079 0.000 0.920 497 G HN 1.256 nan 8.290 nan 0.000 0.499 498 Y N -0.970 119.437 120.300 0.179 0.000 2.576 498 Y HA 0.734 5.288 4.550 0.008 0.000 0.346 498 Y C -1.108 174.818 175.900 0.043 0.000 1.018 498 Y CA -2.070 56.147 58.100 0.195 0.000 1.050 498 Y CB 1.697 40.246 38.460 0.147 0.000 1.280 498 Y HN 0.519 nan 8.280 nan 0.000 0.474 499 L N 2.459 123.739 121.223 0.095 0.000 2.276 499 L HA 0.453 4.797 4.340 0.006 0.000 0.286 499 L C -0.305 176.563 176.870 -0.003 0.000 1.061 499 L CA -0.247 54.413 54.840 -0.301 0.000 0.807 499 L CB 1.174 42.465 42.059 -1.281 0.000 1.177 499 L HN 0.864 nan 8.230 nan 0.000 0.429 500 E N 5.272 125.493 120.200 0.035 0.000 2.115 500 E HA 0.328 4.682 4.350 0.006 0.000 0.282 500 E C -0.981 175.600 176.600 -0.032 0.000 0.987 500 E CA -0.456 56.009 56.400 0.109 0.000 0.797 500 E CB 0.738 30.531 29.700 0.156 0.000 1.086 500 E HN 0.617 nan 8.360 nan 0.000 0.397 501 I N 4.788 125.336 120.570 -0.038 0.000 2.325 501 I HA 0.222 4.396 4.170 0.006 0.000 0.291 501 I C 0.372 176.383 176.117 -0.178 0.000 1.019 501 I CA -0.115 61.137 61.300 -0.080 0.000 1.302 501 I CB 0.987 39.006 38.000 0.031 0.000 1.401 501 I HN 0.534 nan 8.210 nan 0.000 0.485 502 T N 1.242 115.719 114.554 -0.128 0.000 2.731 502 T HA 0.296 4.650 4.350 0.006 0.000 0.300 502 T C 0.559 175.207 174.700 -0.085 0.000 1.283 502 T CA -1.013 61.020 62.100 -0.112 0.000 1.005 502 T CB 1.638 70.475 68.868 -0.052 0.000 1.420 502 T HN 0.663 nan 8.240 nan 0.000 0.503 503 K N 0.223 120.609 120.400 -0.023 0.000 2.362 503 K HA 0.016 4.340 4.320 0.006 0.000 0.200 503 K C 0.452 177.045 176.600 -0.011 0.000 1.046 503 K CA 0.761 57.020 56.287 -0.046 0.000 0.952 503 K CB -0.325 32.203 32.500 0.048 0.000 0.753 503 K HN 0.469 nan 8.250 nan 0.000 0.466 504 K N 1.696 122.098 120.400 0.003 0.000 2.602 504 K HA 0.254 4.578 4.320 0.006 0.000 0.201 504 K C -0.705 175.904 176.600 0.014 0.000 1.070 504 K CA -0.404 55.890 56.287 0.012 0.000 1.026 504 K CB 0.765 33.275 32.500 0.017 0.000 1.534 504 K HN 0.009 nan 8.250 nan 0.000 0.560 505 M N 1.844 121.456 119.600 0.020 0.000 2.268 505 M HA 0.157 4.641 4.480 0.006 0.000 0.349 505 M C 0.748 177.074 176.300 0.045 0.000 1.485 505 M CA 0.369 55.691 55.300 0.037 0.000 1.094 505 M CB 0.258 32.900 32.600 0.070 0.000 1.843 505 M HN 0.654 nan 8.290 nan 0.000 0.460 506 G N 1.573 110.398 108.800 0.042 0.000 3.058 506 G HA2 0.476 4.440 3.960 0.006 0.000 0.282 506 G HA3 0.476 4.440 3.960 0.006 0.000 0.282 506 G C 0.139 175.071 174.900 0.054 0.000 1.248 506 G CA -0.439 44.689 45.100 0.046 0.000 0.822 506 G HN 0.545 nan 8.290 nan 0.000 0.579 507 S N -0.044 115.686 115.700 0.051 0.000 2.446 507 S HA -0.040 4.434 4.470 0.006 0.000 0.225 507 S C 2.319 176.941 174.600 0.036 0.000 1.016 507 S CA 1.298 59.533 58.200 0.057 0.000 0.943 507 S CB -0.005 63.227 63.200 0.053 0.000 0.786 507 S HN 0.889 nan 8.310 nan 0.000 0.508 508 S N 1.252 116.964 115.700 0.020 0.000 2.650 508 S HA 0.174 4.648 4.470 0.006 0.000 0.219 508 S C 1.429 176.020 174.600 -0.015 0.000 0.960 508 S CA 0.115 58.317 58.200 0.003 0.000 0.925 508 S CB -0.310 62.893 63.200 0.005 0.000 0.775 508 S HN 0.244 nan 8.310 nan 0.000 0.525 509 S N 1.744 117.439 115.700 -0.009 0.000 2.383 509 S HA 0.205 4.678 4.470 0.006 0.000 0.227 509 S C 0.843 175.394 174.600 -0.083 0.000 1.026 509 S CA 0.636 58.816 58.200 -0.033 0.000 0.981 509 S CB -0.306 62.879 63.200 -0.025 0.000 0.818 509 S HN 0.463 nan 8.310 nan 0.000 0.472 510 M N 2.951 122.511 119.600 -0.066 0.000 2.292 510 M HA 0.222 4.706 4.480 0.006 0.000 0.342 510 M C 0.194 176.381 176.300 -0.187 0.000 1.538 510 M CA 0.343 55.582 55.300 -0.103 0.000 1.163 510 M CB 0.010 32.614 32.600 0.006 0.000 1.823 510 M HN 0.027 nan 8.290 nan 0.000 0.462 511 K N 2.580 122.723 120.400 -0.429 0.000 2.583 511 K HA 0.648 4.972 4.320 0.006 0.000 0.263 511 K C 0.277 176.580 176.600 -0.495 0.000 1.038 511 K CA -0.638 55.335 56.287 -0.524 0.000 1.031 511 K CB 1.745 33.731 32.500 -0.857 0.000 1.399 511 K HN 0.554 nan 8.250 nan 0.000 0.531 512 R N -0.542 119.743 120.500 -0.358 0.000 3.208 512 R HA 0.256 4.600 4.340 0.006 0.000 0.143 512 R C -0.608 175.724 176.300 0.053 0.000 0.859 512 R CA -0.500 55.523 56.100 -0.127 0.000 0.568 512 R CB 0.316 30.582 30.300 -0.057 0.000 0.945 512 R HN 0.482 nan 8.270 nan 0.000 0.368 513 S N 1.540 117.291 115.700 0.086 0.000 3.480 513 S HA -0.071 4.403 4.470 0.006 0.000 0.411 513 S C -0.356 174.373 174.600 0.215 0.000 1.164 513 S CA 0.202 58.489 58.200 0.145 0.000 1.084 513 S CB -0.370 62.886 63.200 0.094 0.000 0.759 513 S HN 0.267 nan 8.310 nan 0.000 0.515 514 L N 6.026 127.423 121.223 0.290 0.000 2.297 514 L HA 0.428 4.772 4.340 0.006 0.000 0.277 514 L C 0.572 177.574 176.870 0.220 0.000 1.040 514 L CA 0.039 55.050 54.840 0.286 0.000 0.867 514 L CB -0.236 41.987 42.059 0.273 0.000 1.244 514 L HN 0.705 nan 8.230 nan 0.000 0.433 515 R N 1.436 122.076 120.500 0.234 0.000 3.336 515 R HA -0.208 4.136 4.340 0.006 0.000 0.260 515 R C 1.066 177.557 176.300 0.319 0.000 1.032 515 R CA 0.794 57.098 56.100 0.340 0.000 0.693 515 R CB -2.351 28.166 30.300 0.361 0.000 1.134 515 R HN 0.877 nan 8.270 nan 0.000 0.433 516 T N -2.700 111.978 114.554 0.205 0.000 2.946 516 T HA -0.180 4.174 4.350 0.006 0.000 0.271 516 T C 1.559 176.337 174.700 0.131 0.000 1.104 516 T CA 1.325 63.523 62.100 0.163 0.000 1.114 516 T CB -0.129 68.805 68.868 0.111 0.000 0.867 516 T HN 0.380 nan 8.240 nan 0.000 0.513 517 N N 1.940 120.692 118.700 0.087 0.000 2.043 517 N HA -0.067 4.676 4.740 0.006 0.000 0.193 517 N C 1.472 176.905 175.510 -0.129 0.000 1.037 517 N CA 1.441 54.423 53.050 -0.114 0.000 0.851 517 N CB -0.780 37.526 38.487 -0.301 0.000 1.027 517 N HN 0.504 nan 8.380 nan 0.000 0.422 518 F N 0.986 120.993 119.950 0.094 0.000 2.234 518 F HA 0.084 4.616 4.527 0.007 0.000 0.296 518 F C 2.304 178.313 175.800 0.348 0.000 1.089 518 F CA -0.034 58.081 58.000 0.191 0.000 1.343 518 F CB -0.804 38.336 39.000 0.235 0.000 1.040 518 F HN -0.049 nan 8.300 nan 0.000 0.498 519 L N 1.083 122.582 121.223 0.460 0.000 1.990 519 L HA -0.217 4.126 4.340 0.006 0.000 0.213 519 L C 2.566 179.593 176.870 0.262 0.000 1.072 519 L CA 1.867 56.908 54.840 0.334 0.000 0.755 519 L CB -0.813 41.382 42.059 0.227 0.000 0.889 519 L HN 0.135 nan 8.230 nan 0.000 0.432 520 R N -1.698 118.914 120.500 0.187 0.000 2.080 520 R HA -0.281 4.063 4.340 0.006 0.000 0.236 520 R C 2.446 178.816 176.300 0.118 0.000 1.137 520 R CA 2.163 58.335 56.100 0.120 0.000 0.943 520 R CB -0.904 29.439 30.300 0.070 0.000 0.846 520 R HN 0.582 nan 8.270 nan 0.000 0.431 521 Y N 0.112 120.408 120.300 -0.007 0.000 2.053 521 Y HA -0.278 4.276 4.550 0.006 0.000 0.277 521 Y C 1.803 177.700 175.900 -0.006 0.000 1.159 521 Y CA 1.909 59.949 58.100 -0.101 0.000 1.125 521 Y CB -1.131 37.144 38.460 -0.308 0.000 0.969 521 Y HN 0.172 nan 8.280 nan 0.000 0.492 522 W N 0.647 121.694 121.300 -0.421 0.000 2.317 522 W HA -0.263 4.402 4.660 0.008 0.000 0.318 522 W C 2.993 179.410 176.519 -0.171 0.000 1.227 522 W CA 2.830 59.917 57.345 -0.431 0.000 1.269 522 W CB -0.985 28.373 29.460 -0.170 0.000 1.155 522 W HN 0.302 nan 8.180 nan 0.000 0.484 523 T N -1.668 112.986 114.554 0.165 0.000 2.896 523 T HA -0.070 4.284 4.350 0.006 0.000 0.263 523 T C 1.745 176.485 174.700 0.067 0.000 1.050 523 T CA 1.195 63.363 62.100 0.112 0.000 1.140 523 T CB -0.516 68.409 68.868 0.095 0.000 0.877 523 T HN 0.109 nan 8.240 nan 0.000 0.457 524 L N 1.104 122.357 121.223 0.050 0.000 2.068 524 L HA 0.096 4.440 4.340 0.006 0.000 0.204 524 L C 3.241 180.130 176.870 0.033 0.000 1.076 524 L CA 1.739 56.603 54.840 0.041 0.000 0.753 524 L CB -0.618 41.469 42.059 0.046 0.000 0.910 524 L HN 0.542 nan 8.230 nan 0.000 0.439 525 T N -3.810 110.758 114.554 0.023 0.000 3.071 525 T HA -0.124 4.230 4.350 0.006 0.000 0.239 525 T C 1.864 176.573 174.700 0.014 0.000 0.997 525 T CA 0.149 62.275 62.100 0.043 0.000 1.134 525 T CB -0.603 68.349 68.868 0.139 0.000 0.928 525 T HN 0.190 nan 8.240 nan 0.000 0.453 526 Y N 1.818 121.975 120.300 -0.238 0.000 2.097 526 Y HA 0.049 4.602 4.550 0.006 0.000 0.282 526 Y C 2.302 178.203 175.900 0.002 0.000 1.152 526 Y CA 1.767 59.769 58.100 -0.163 0.000 1.136 526 Y CB -0.438 37.761 38.460 -0.435 0.000 0.975 526 Y HN 0.274 nan 8.280 nan 0.000 0.498 527 L N -0.050 121.283 121.223 0.184 0.000 2.079 527 L HA -0.181 4.163 4.340 0.006 0.000 0.210 527 L C 2.086 178.959 176.870 0.005 0.000 1.081 527 L CA 1.745 56.665 54.840 0.132 0.000 0.752 527 L CB -0.530 41.612 42.059 0.140 0.000 0.896 527 L HN 0.333 nan 8.230 nan 0.000 0.433 528 A N -0.768 122.047 122.820 -0.009 0.000 2.302 528 A HA 0.179 4.503 4.320 0.006 0.000 0.219 528 A C 0.616 178.170 177.584 -0.050 0.000 1.243 528 A CA -0.259 51.765 52.037 -0.021 0.000 0.856 528 A CB -0.377 18.622 19.000 -0.002 0.000 0.893 528 A HN 0.330 nan 8.150 nan 0.000 0.491 529 L N 0.201 121.358 121.223 -0.110 0.000 2.453 529 L HA 0.402 4.746 4.340 0.006 0.000 0.261 529 L C -2.405 174.396 176.870 -0.114 0.000 1.179 529 L CA -1.792 52.970 54.840 -0.130 0.000 0.813 529 L CB 0.538 42.451 42.059 -0.243 0.000 1.110 529 L HN -0.051 nan 8.230 nan 0.000 0.466 530 P HA 0.126 nan 4.420 nan 0.000 0.276 530 P C -1.149 176.114 177.300 -0.063 0.000 1.264 530 P CA -0.153 62.913 63.100 -0.056 0.000 0.769 530 P CB 0.295 31.974 31.700 -0.034 0.000 0.840 531 T N 3.568 118.089 114.554 -0.055 0.000 2.840 531 T HA 0.163 4.517 4.350 0.006 0.000 0.276 531 T C 0.686 175.370 174.700 -0.028 0.000 0.912 531 T CA -0.311 61.763 62.100 -0.043 0.000 1.116 531 T CB -0.572 68.277 68.868 -0.032 0.000 0.895 531 T HN 0.225 nan 8.240 nan 0.000 0.570 532 V N 2.776 122.676 119.914 -0.022 0.000 2.637 532 V HA 0.639 4.763 4.120 0.006 0.000 0.296 532 V C 0.345 176.428 176.094 -0.019 0.000 1.046 532 V CA -0.252 62.038 62.300 -0.016 0.000 1.066 532 V CB 1.167 32.985 31.823 -0.007 0.000 0.968 532 V HN 0.717 nan 8.190 nan 0.000 0.483 533 T N 0.000 114.541 114.554 -0.021 0.000 3.816 533 T HA 0.000 4.354 4.350 0.006 0.000 0.228 533 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 533 T CB 0.000 68.851 68.868 -0.029 0.000 0.612 533 T HN 0.000 nan 8.240 nan 0.000 0.658