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 2vfu_1_A DATA FIRST_RESID 4 DATA SEQUENCE ITVTNWAGNI TYTAKELLRP HSLDALRALV ADSARVRVLG SGHSFNEIAE DATA SEQUENCE PGDGGVLLSL AGLPSVVDVD TAARTVRVGG GVRYAELARV VHARGLALPN DATA SEQUENCE MASLPHISVA GSVATGTHGS GVGNGSLASV VREVELVTAD GSTVVIARGD DATA SEQUENCE ERFGGAVTSL GALGVVTSLT LDLEPAYEME QHVFTELPLA GLDPATFETV DATA SEQUENCE MAAAYSVSLF TDWRAPGFRQ VWLKRRTDRP LDGFPYAAPA AEKMHPVPGM DATA SEQUENCE PAVNCTEQFG VPGPWHERLP HFRAEFTPSS GAELQSEYLM PREHALAALH DATA SEQUENCE AMDAIRETLA PVLQTCEIRT VAADAQWLSP AYGRDTVAAH FTWVEDTAAV DATA SEQUENCE LPVVRRLEEA LVPFAARPHW GKVFTVPAGE LRALYPRLAD FGALAGALDP DATA SEQUENCE AGKFTNAFVR GVLA 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.128 176.117 0.018 0.000 1.063 4 I CA 0.000 61.308 61.300 0.013 0.000 1.566 4 I CB 0.000 38.009 38.000 0.015 0.000 1.214 5 T N 3.632 118.195 114.554 0.015 0.000 2.749 5 T HA 0.618 4.968 4.350 0.001 0.000 0.287 5 T C -0.311 174.408 174.700 0.031 0.000 0.970 5 T CA -0.484 61.627 62.100 0.018 0.000 0.980 5 T CB 1.359 70.226 68.868 -0.002 0.000 0.924 5 T HN 0.438 nan 8.240 nan 0.000 0.456 6 V N 4.405 124.361 119.914 0.070 0.000 2.435 6 V HA 0.699 4.819 4.120 0.001 0.000 0.290 6 V C 0.686 176.855 176.094 0.126 0.000 1.030 6 V CA -0.819 61.559 62.300 0.131 0.000 0.881 6 V CB 1.329 33.269 31.823 0.194 0.000 0.983 6 V HN 1.062 nan 8.190 nan 0.000 0.445 7 T N 0.839 115.425 114.554 0.054 0.000 2.888 7 T HA 0.522 4.872 4.350 0.001 0.000 0.288 7 T C -0.177 174.513 174.700 -0.017 0.000 1.063 7 T CA -0.919 61.098 62.100 -0.140 0.000 1.010 7 T CB 1.897 70.677 68.868 -0.147 0.000 1.214 7 T HN 0.675 nan 8.240 nan 0.000 0.533 8 N N -0.316 118.282 118.700 -0.170 0.000 2.322 8 N HA 0.059 4.800 4.740 0.001 0.000 0.270 8 N C 0.704 176.187 175.510 -0.045 0.000 1.286 8 N CA -0.937 52.106 53.050 -0.012 0.000 0.948 8 N CB -0.152 38.280 38.487 -0.091 0.000 1.164 8 N HN 0.954 nan 8.380 nan 0.000 0.551 9 W N 0.241 121.362 121.300 -0.299 0.000 2.379 9 W HA 0.088 4.748 4.660 0.000 0.000 0.307 9 W C 2.138 178.493 176.519 -0.274 0.000 1.200 9 W CA 2.532 59.666 57.345 -0.352 0.000 1.297 9 W CB -0.616 28.420 29.460 -0.708 0.000 1.140 9 W HN 0.661 nan 8.180 nan 0.000 0.507 10 A N 0.177 122.846 122.820 -0.251 0.000 2.015 10 A HA 0.182 4.502 4.320 0.001 0.000 0.219 10 A C 2.053 179.483 177.584 -0.257 0.000 1.163 10 A CA 1.955 53.798 52.037 -0.324 0.000 0.646 10 A CB -1.267 17.773 19.000 0.067 0.000 0.806 10 A HN 1.062 nan 8.150 nan 0.000 0.448 11 G N -0.060 108.614 108.800 -0.209 0.000 2.176 11 G HA2 -0.347 3.613 3.960 0.001 0.000 0.253 11 G HA3 -0.347 3.613 3.960 0.001 0.000 0.253 11 G C 0.731 175.556 174.900 -0.124 0.000 0.979 11 G CA 0.799 45.796 45.100 -0.172 0.000 0.641 11 G HN 0.886 nan 8.290 nan 0.000 0.530 12 N N 0.334 118.987 118.700 -0.079 0.000 2.494 12 N HA 0.042 4.782 4.740 0.001 0.000 0.182 12 N C 0.613 176.072 175.510 -0.086 0.000 1.076 12 N CA 0.849 53.876 53.050 -0.039 0.000 0.908 12 N CB 0.204 38.722 38.487 0.052 0.000 0.967 12 N HN 0.385 nan 8.380 nan 0.000 0.449 13 I N 1.519 121.984 120.570 -0.174 0.000 2.389 13 I HA 0.232 4.402 4.170 0.001 0.000 0.288 13 I C -0.413 175.431 176.117 -0.455 0.000 0.999 13 I CA -0.356 60.770 61.300 -0.290 0.000 1.129 13 I CB 1.446 39.240 38.000 -0.345 0.000 1.288 13 I HN -0.194 nan 8.210 nan 0.000 0.444 14 T N 6.397 120.736 114.554 -0.358 0.000 2.758 14 T HA 0.487 4.838 4.350 0.001 0.000 0.285 14 T C -0.300 174.220 174.700 -0.299 0.000 0.981 14 T CA -0.315 61.596 62.100 -0.316 0.000 0.965 14 T CB 0.470 69.254 68.868 -0.140 0.000 0.927 14 T HN 0.117 nan 8.240 nan 0.000 0.448 15 Y N 1.620 121.915 120.300 -0.010 0.000 2.326 15 Y HA 0.189 4.739 4.550 0.000 0.000 0.333 15 Y C 2.375 178.273 175.900 -0.003 0.000 1.240 15 Y CA -0.632 57.465 58.100 -0.005 0.000 1.365 15 Y CB 0.369 38.825 38.460 -0.007 0.000 1.289 15 Y HN 0.742 nan 8.280 nan 0.000 0.548 16 T N -1.248 113.408 114.554 0.171 0.000 2.915 16 T HA 0.022 4.372 4.350 0.001 0.000 0.269 16 T C 0.951 175.695 174.700 0.075 0.000 1.071 16 T CA 0.383 62.537 62.100 0.090 0.000 1.132 16 T CB -0.511 68.400 68.868 0.071 0.000 0.878 16 T HN 0.674 nan 8.240 nan 0.000 0.479 17 A N 1.807 124.680 122.820 0.089 0.000 2.511 17 A HA 0.353 4.674 4.320 0.001 0.000 0.242 17 A C 1.152 178.763 177.584 0.046 0.000 1.069 17 A CA -0.465 51.602 52.037 0.050 0.000 0.763 17 A CB 0.310 19.326 19.000 0.028 0.000 1.001 17 A HN 0.219 nan 8.150 nan 0.000 0.498 18 K N 0.954 121.370 120.400 0.027 0.000 2.404 18 K HA 0.085 4.406 4.320 0.001 0.000 0.194 18 K C 0.088 176.699 176.600 0.017 0.000 1.023 18 K CA 0.769 57.069 56.287 0.021 0.000 1.094 18 K CB -0.036 32.473 32.500 0.014 0.000 0.841 18 K HN 0.935 nan 8.250 nan 0.000 0.523 19 E N -0.357 119.851 120.200 0.014 0.000 2.354 19 E HA 0.239 4.589 4.350 0.001 0.000 0.283 19 E C -1.389 175.211 176.600 -0.001 0.000 0.938 19 E CA -0.917 55.488 56.400 0.007 0.000 0.777 19 E CB 1.019 30.721 29.700 0.002 0.000 1.222 19 E HN -0.166 nan 8.360 nan 0.000 0.423 20 L N 3.850 125.071 121.223 -0.003 0.000 2.270 20 L HA 0.350 4.690 4.340 0.001 0.000 0.286 20 L C -1.035 175.818 176.870 -0.028 0.000 1.059 20 L CA -0.486 54.344 54.840 -0.017 0.000 0.839 20 L CB 0.552 42.606 42.059 -0.008 0.000 1.221 20 L HN 0.632 nan 8.230 nan 0.000 0.431 21 L N 5.901 127.101 121.223 -0.038 0.000 2.462 21 L HA 0.248 4.589 4.340 0.001 0.000 0.272 21 L C 0.487 177.312 176.870 -0.076 0.000 1.166 21 L CA 0.195 55.006 54.840 -0.050 0.000 0.880 21 L CB 0.114 42.147 42.059 -0.043 0.000 1.142 21 L HN 0.588 nan 8.230 nan 0.000 0.473 22 R N 3.947 124.375 120.500 -0.121 0.000 2.629 22 R HA 0.279 4.619 4.340 0.001 0.000 0.277 22 R C -2.387 173.680 176.300 -0.389 0.000 1.637 22 R CA -1.576 54.401 56.100 -0.205 0.000 1.663 22 R CB 0.860 31.048 30.300 -0.186 0.000 1.228 22 R HN 0.377 nan 8.270 nan 0.000 0.632 23 P HA -0.064 nan 4.420 nan 0.000 0.266 23 P C -0.119 177.000 177.300 -0.303 0.000 1.195 23 P CA 0.099 63.066 63.100 -0.222 0.000 0.768 23 P CB 0.815 32.462 31.700 -0.089 0.000 0.838 24 H N -0.778 118.295 119.070 0.005 0.000 2.586 24 H HA 0.169 4.725 4.556 -0.000 0.000 0.273 24 H C 0.749 176.080 175.328 0.004 0.000 0.997 24 H CA 0.261 56.311 56.048 0.004 0.000 1.177 24 H CB 0.479 30.243 29.762 0.003 0.000 1.471 24 H HN 0.503 nan 8.280 nan 0.000 0.538 25 S N -0.581 115.163 115.700 0.074 0.000 2.618 25 S HA 0.188 4.658 4.470 0.001 0.000 0.277 25 S C 0.555 175.169 174.600 0.023 0.000 1.138 25 S CA -0.835 57.395 58.200 0.049 0.000 0.844 25 S CB 1.896 65.124 63.200 0.048 0.000 1.127 25 S HN 0.006 nan 8.310 nan 0.000 0.474 26 L N 1.311 122.546 121.223 0.019 0.000 2.141 26 L HA 0.109 4.449 4.340 0.001 0.000 0.209 26 L C 1.939 178.817 176.870 0.013 0.000 1.094 26 L CA 2.319 57.166 54.840 0.012 0.000 0.763 26 L CB -0.907 41.158 42.059 0.010 0.000 0.908 26 L HN 1.014 nan 8.230 nan 0.000 0.437 27 D N -0.804 119.605 120.400 0.016 0.000 2.097 27 D HA -0.195 4.445 4.640 0.001 0.000 0.195 27 D C 2.195 178.503 176.300 0.014 0.000 0.989 27 D CA 1.392 55.401 54.000 0.015 0.000 0.827 27 D CB 0.016 40.825 40.800 0.016 0.000 0.966 27 D HN 0.386 nan 8.370 nan 0.000 0.456 28 A N 0.075 122.905 122.820 0.016 0.000 1.883 28 A HA -0.140 4.180 4.320 0.001 0.000 0.217 28 A C 2.162 179.748 177.584 0.004 0.000 1.186 28 A CA 1.603 53.646 52.037 0.010 0.000 0.624 28 A CB -1.010 17.997 19.000 0.012 0.000 0.822 28 A HN 0.415 nan 8.150 nan 0.000 0.444 29 L N -0.115 121.110 121.223 0.003 0.000 1.994 29 L HA -0.138 4.202 4.340 0.001 0.000 0.208 29 L C 2.434 179.317 176.870 0.020 0.000 1.071 29 L CA 2.141 56.985 54.840 0.006 0.000 0.745 29 L CB -0.733 41.329 42.059 0.005 0.000 0.892 29 L HN 0.371 nan 8.230 nan 0.000 0.431 30 R N -0.413 120.100 120.500 0.021 0.000 2.091 30 R HA -0.124 4.216 4.340 0.001 0.000 0.238 30 R C 2.255 178.570 176.300 0.026 0.000 1.136 30 R CA 1.381 57.498 56.100 0.028 0.000 0.959 30 R CB -0.736 29.577 30.300 0.022 0.000 0.856 30 R HN 0.561 nan 8.270 nan 0.000 0.437 31 A N 1.347 124.177 122.820 0.017 0.000 1.873 31 A HA -0.156 4.164 4.320 0.001 0.000 0.215 31 A C 2.108 179.697 177.584 0.007 0.000 1.186 31 A CA 1.076 53.120 52.037 0.011 0.000 0.616 31 A CB -0.585 18.420 19.000 0.009 0.000 0.823 31 A HN 0.242 nan 8.150 nan 0.000 0.442 32 L N 0.115 121.341 121.223 0.005 0.000 2.013 32 L HA -0.167 4.173 4.340 0.001 0.000 0.212 32 L C 2.390 179.259 176.870 -0.002 0.000 1.073 32 L CA 2.185 57.024 54.840 -0.002 0.000 0.753 32 L CB -0.661 41.394 42.059 -0.006 0.000 0.890 32 L HN 0.164 nan 8.230 nan 0.000 0.432 33 V N -0.019 119.908 119.914 0.022 0.000 2.261 33 V HA -0.300 3.821 4.120 0.001 0.000 0.246 33 V C 2.809 178.907 176.094 0.007 0.000 1.047 33 V CA 1.736 64.058 62.300 0.037 0.000 1.015 33 V CB -1.338 30.566 31.823 0.135 0.000 0.642 33 V HN 0.642 nan 8.190 nan 0.000 0.446 34 A N -0.268 122.564 122.820 0.020 0.000 1.917 34 A HA -0.262 4.058 4.320 0.001 0.000 0.219 34 A C 1.830 179.408 177.584 -0.010 0.000 1.182 34 A CA 2.158 54.201 52.037 0.010 0.000 0.633 34 A CB -0.529 18.480 19.000 0.015 0.000 0.819 34 A HN 0.579 nan 8.150 nan 0.000 0.448 35 D N -0.199 120.193 120.400 -0.013 0.000 2.340 35 D HA 0.138 4.778 4.640 0.001 0.000 0.220 35 D C -0.192 176.087 176.300 -0.034 0.000 1.039 35 D CA 0.315 54.303 54.000 -0.020 0.000 0.866 35 D CB 0.235 41.027 40.800 -0.013 0.000 0.913 35 D HN 0.251 nan 8.370 nan 0.000 0.523 36 S N -0.152 115.516 115.700 -0.053 0.000 2.472 36 S HA 0.521 4.992 4.470 0.001 0.000 0.303 36 S C 1.053 175.591 174.600 -0.104 0.000 1.099 36 S CA -0.680 57.476 58.200 -0.075 0.000 1.077 36 S CB 2.323 65.472 63.200 -0.086 0.000 1.031 36 S HN 0.111 nan 8.310 nan 0.000 0.487 37 A N 3.109 125.874 122.820 -0.091 0.000 1.929 37 A HA 0.116 4.436 4.320 0.001 0.000 0.216 37 A C 0.835 178.333 177.584 -0.144 0.000 1.176 37 A CA 0.952 52.931 52.037 -0.097 0.000 0.628 37 A CB 0.073 19.035 19.000 -0.064 0.000 0.816 37 A HN 0.689 nan 8.150 nan 0.000 0.444 38 R N -1.247 119.160 120.500 -0.155 0.000 2.604 38 R HA 0.588 4.929 4.340 0.001 0.000 0.281 38 R C -2.023 174.150 176.300 -0.212 0.000 1.020 38 R CA -0.409 55.573 56.100 -0.196 0.000 0.899 38 R CB 2.315 32.548 30.300 -0.112 0.000 1.205 38 R HN 0.053 nan 8.270 nan 0.000 0.450 39 V N 3.121 122.844 119.914 -0.318 0.000 2.760 39 V HA 0.576 4.696 4.120 0.001 0.000 0.309 39 V C -0.502 175.552 176.094 -0.067 0.000 1.077 39 V CA -1.034 61.133 62.300 -0.222 0.000 0.910 39 V CB 2.438 34.069 31.823 -0.319 0.000 1.008 39 V HN 0.584 nan 8.190 nan 0.000 0.424 40 R N 2.029 122.528 120.500 -0.003 0.000 2.686 40 R HA 0.692 5.032 4.340 0.001 0.000 0.283 40 R C -1.230 175.077 176.300 0.011 0.000 0.978 40 R CA -0.732 55.395 56.100 0.046 0.000 0.897 40 R CB 2.339 32.630 30.300 -0.015 0.000 1.192 40 R HN 0.494 nan 8.270 nan 0.000 0.457 41 V N 3.178 123.109 119.914 0.029 0.000 2.546 41 V HA 0.278 4.399 4.120 0.001 0.000 0.284 41 V C 0.121 176.170 176.094 -0.075 0.000 1.050 41 V CA -0.798 61.494 62.300 -0.013 0.000 0.981 41 V CB 1.335 33.160 31.823 0.003 0.000 0.990 41 V HN 0.471 nan 8.190 nan 0.000 0.474 42 L N 4.502 125.665 121.223 -0.099 0.000 2.282 42 L HA 0.749 5.090 4.340 0.001 0.000 0.288 42 L C 0.684 177.528 176.870 -0.043 0.000 1.033 42 L CA 0.692 55.463 54.840 -0.114 0.000 0.807 42 L CB 1.052 43.014 42.059 -0.161 0.000 1.209 42 L HN 0.694 nan 8.230 nan 0.000 0.423 43 G N 1.706 110.497 108.800 -0.015 0.000 3.348 43 G HA2 0.109 4.069 3.960 0.001 0.000 0.180 43 G HA3 0.109 4.069 3.960 0.001 0.000 0.180 43 G C 0.479 175.405 174.900 0.043 0.000 1.915 43 G CA 0.472 45.581 45.100 0.016 0.000 0.937 43 G HN 0.701 nan 8.290 nan 0.000 0.564 44 S N -0.846 114.902 115.700 0.080 0.000 2.572 44 S HA 0.390 4.860 4.470 0.001 0.000 0.228 44 S C 1.573 176.249 174.600 0.126 0.000 0.963 44 S CA 0.882 59.155 58.200 0.122 0.000 0.939 44 S CB 0.335 63.634 63.200 0.165 0.000 0.804 44 S HN 2.024 nan 8.310 nan 0.000 0.480 45 G N 1.938 110.793 108.800 0.091 0.000 2.187 45 G HA2 -0.295 3.665 3.960 0.001 0.000 0.261 45 G HA3 -0.295 3.665 3.960 0.001 0.000 0.261 45 G C 0.307 175.180 174.900 -0.045 0.000 1.000 45 G CA 0.562 45.705 45.100 0.072 0.000 0.718 45 G HN 0.689 nan 8.290 nan 0.000 0.519 46 H N 0.706 119.744 119.070 -0.053 0.000 2.669 46 H HA 0.213 4.770 4.556 0.001 0.000 0.297 46 H C 1.527 176.786 175.328 -0.115 0.000 1.071 46 H CA 0.924 56.873 56.048 -0.165 0.000 1.182 46 H CB -0.100 29.539 29.762 -0.205 0.000 1.343 46 H HN 0.663 nan 8.280 nan 0.000 0.582 47 S N -0.656 115.017 115.700 -0.044 0.000 2.687 47 S HA 0.297 4.767 4.470 0.001 0.000 0.283 47 S C 0.179 174.652 174.600 -0.210 0.000 1.170 47 S CA -0.729 57.508 58.200 0.062 0.000 1.008 47 S CB 0.946 64.209 63.200 0.106 0.000 1.026 47 S HN 0.132 nan 8.310 nan 0.000 0.541 48 F N 0.991 121.041 119.950 0.166 0.000 2.724 48 F HA 0.332 4.860 4.527 0.001 0.000 0.310 48 F C 0.513 176.378 175.800 0.107 0.000 1.107 48 F CA -0.684 57.407 58.000 0.152 0.000 1.218 48 F CB 0.073 39.189 39.000 0.193 0.000 1.042 48 F HN 0.708 nan 8.300 nan 0.000 0.540 49 N N -1.178 117.640 118.700 0.197 0.000 3.343 49 N HA 0.192 4.932 4.740 0.001 0.000 0.330 49 N C -0.128 175.435 175.510 0.088 0.000 1.560 49 N CA -0.832 52.301 53.050 0.138 0.000 0.752 49 N CB 0.253 38.842 38.487 0.170 0.000 1.863 49 N HN -0.019 nan 8.380 nan 0.000 0.636 50 E N -0.352 119.919 120.200 0.117 0.000 2.368 50 E HA 0.189 4.539 4.350 0.001 0.000 0.188 50 E C 0.780 177.385 176.600 0.008 0.000 1.061 50 E CA -0.196 56.286 56.400 0.137 0.000 0.933 50 E CB -0.202 29.609 29.700 0.186 0.000 1.091 50 E HN 0.484 nan 8.360 nan 0.000 0.458 51 I N 0.932 121.283 120.570 -0.365 0.000 2.264 51 I HA -0.282 3.888 4.170 0.001 0.000 0.248 51 I C 2.063 178.049 176.117 -0.220 0.000 1.111 51 I CA 1.233 62.100 61.300 -0.721 0.000 1.382 51 I CB 0.157 37.569 38.000 -0.980 0.000 1.060 51 I HN 0.113 nan 8.210 nan 0.000 0.418 52 A N -0.310 122.458 122.820 -0.087 0.000 2.218 52 A HA -0.028 4.292 4.320 0.001 0.000 0.209 52 A C 0.987 178.465 177.584 -0.177 0.000 1.168 52 A CA 0.018 51.970 52.037 -0.142 0.000 0.804 52 A CB -0.412 18.442 19.000 -0.242 0.000 0.834 52 A HN 0.486 nan 8.150 nan 0.000 0.482 53 E N 1.561 121.790 120.200 0.049 0.000 2.328 53 E HA 0.109 4.459 4.350 0.001 0.000 0.265 53 E C -1.753 174.878 176.600 0.052 0.000 1.057 53 E CA -1.946 54.537 56.400 0.139 0.000 0.916 53 E CB 0.776 30.630 29.700 0.257 0.000 0.993 53 E HN 0.221 nan 8.360 nan 0.000 0.446 54 P HA 0.152 nan 4.420 nan 0.000 0.249 54 P C 0.118 177.432 177.300 0.023 0.000 1.229 54 P CA 0.651 63.752 63.100 0.002 0.000 0.788 54 P CB 0.148 31.828 31.700 -0.034 0.000 1.072 55 G N 0.840 109.670 108.800 0.050 0.000 2.787 55 G HA2 -0.161 3.799 3.960 0.001 0.000 0.685 55 G HA3 -0.161 3.799 3.960 0.001 0.000 0.685 55 G C -1.010 173.908 174.900 0.030 0.000 1.437 55 G CA -0.766 44.361 45.100 0.045 0.000 0.872 55 G HN 0.138 nan 8.290 nan 0.000 0.566 56 D N 0.761 121.177 120.400 0.028 0.000 2.488 56 D HA 0.400 5.040 4.640 0.001 0.000 0.238 56 D C 1.604 177.908 176.300 0.007 0.000 1.138 56 D CA 2.140 56.151 54.000 0.019 0.000 0.873 56 D CB 0.671 41.481 40.800 0.017 0.000 1.183 56 D HN 1.920 nan 8.370 nan 0.000 0.458 57 G N 1.898 110.699 108.800 0.002 0.000 2.245 57 G HA2 -0.230 3.731 3.960 0.001 0.000 0.264 57 G HA3 -0.230 3.731 3.960 0.001 0.000 0.264 57 G C 0.777 175.666 174.900 -0.019 0.000 0.985 57 G CA 0.307 45.402 45.100 -0.008 0.000 0.625 57 G HN 0.823 nan 8.290 nan 0.000 0.536 58 G N -0.684 108.104 108.800 -0.019 0.000 2.527 58 G HA2 0.551 4.512 3.960 0.001 0.000 0.248 58 G HA3 0.551 4.512 3.960 0.001 0.000 0.248 58 G C 0.012 174.889 174.900 -0.038 0.000 1.231 58 G CA 0.274 45.352 45.100 -0.036 0.000 0.838 58 G HN 0.899 nan 8.290 nan 0.000 0.570 59 V N 2.190 122.070 119.914 -0.056 0.000 2.465 59 V HA 0.248 4.368 4.120 0.001 0.000 0.279 59 V C -0.036 176.023 176.094 -0.057 0.000 1.045 59 V CA -0.580 61.690 62.300 -0.051 0.000 0.938 59 V CB 1.317 33.106 31.823 -0.056 0.000 0.986 59 V HN 0.575 nan 8.190 nan 0.000 0.467 60 L N 7.640 128.827 121.223 -0.060 0.000 2.265 60 L HA 0.647 4.988 4.340 0.001 0.000 0.289 60 L C -0.585 176.243 176.870 -0.069 0.000 1.033 60 L CA -0.122 54.664 54.840 -0.090 0.000 0.814 60 L CB 1.148 43.131 42.059 -0.126 0.000 1.203 60 L HN 0.642 nan 8.230 nan 0.000 0.423 61 L N 3.049 124.238 121.223 -0.057 0.000 2.346 61 L HA 0.901 5.241 4.340 0.001 0.000 0.274 61 L C -0.399 176.444 176.870 -0.044 0.000 1.007 61 L CA -0.247 54.569 54.840 -0.041 0.000 0.818 61 L CB 1.989 44.037 42.059 -0.018 0.000 1.284 61 L HN 0.527 nan 8.230 nan 0.000 0.424 62 S N 2.760 118.432 115.700 -0.047 0.000 2.568 62 S HA 0.634 5.104 4.470 0.001 0.000 0.302 62 S C 0.375 174.951 174.600 -0.041 0.000 1.082 62 S CA -0.803 57.373 58.200 -0.040 0.000 1.009 62 S CB 1.191 64.370 63.200 -0.035 0.000 1.069 62 S HN 0.820 nan 8.310 nan 0.000 0.500 63 L N 3.193 124.399 121.223 -0.028 0.000 2.628 63 L HA 0.276 4.617 4.340 0.001 0.000 0.229 63 L C 2.339 179.199 176.870 -0.017 0.000 1.137 63 L CA 0.247 55.071 54.840 -0.026 0.000 0.909 63 L CB -0.658 41.390 42.059 -0.018 0.000 1.137 63 L HN 0.868 nan 8.230 nan 0.000 0.470 64 A N 0.791 123.602 122.820 -0.015 0.000 2.032 64 A HA -0.149 4.172 4.320 0.001 0.000 0.221 64 A C 2.230 179.832 177.584 0.028 0.000 1.165 64 A CA 1.869 53.911 52.037 0.008 0.000 0.645 64 A CB -0.659 18.348 19.000 0.012 0.000 0.807 64 A HN 0.457 nan 8.150 nan 0.000 0.453 65 G N -1.372 107.421 108.800 -0.012 0.000 2.880 65 G HA2 0.345 4.306 3.960 0.001 0.000 0.209 65 G HA3 0.345 4.306 3.960 0.001 0.000 0.209 65 G C 0.527 175.509 174.900 0.137 0.000 1.157 65 G CA -0.201 44.930 45.100 0.052 0.000 0.779 65 G HN 0.390 nan 8.290 nan 0.000 0.539 66 L N 0.955 122.204 121.223 0.044 0.000 2.399 66 L HA 0.334 4.674 4.340 0.001 0.000 0.266 66 L C -1.942 174.955 176.870 0.046 0.000 1.114 66 L CA -1.980 52.889 54.840 0.048 0.000 0.804 66 L CB 1.273 43.340 42.059 0.014 0.000 1.146 66 L HN -0.102 nan 8.230 nan 0.000 0.451 67 P HA -0.004 nan 4.420 nan 0.000 0.265 67 P C -0.690 176.620 177.300 0.017 0.000 1.193 67 P CA 0.062 63.178 63.100 0.028 0.000 0.765 67 P CB 0.424 32.137 31.700 0.022 0.000 0.823 68 S N 1.915 117.624 115.700 0.015 0.000 4.139 68 S HA 0.121 4.592 4.470 0.001 0.000 0.215 68 S C 0.320 174.921 174.600 0.002 0.000 1.390 68 S CA -0.478 57.725 58.200 0.006 0.000 0.885 68 S CB -0.749 62.456 63.200 0.009 0.000 1.560 68 S HN 0.186 nan 8.310 nan 0.000 0.449 69 V N 3.024 122.937 119.914 -0.001 0.000 2.493 69 V HA 0.082 4.203 4.120 0.001 0.000 0.292 69 V C 0.277 176.367 176.094 -0.007 0.000 1.016 69 V CA 0.098 62.397 62.300 -0.002 0.000 1.097 69 V CB 0.496 32.318 31.823 -0.003 0.000 0.947 69 V HN 0.407 nan 8.190 nan 0.000 0.479 70 V N 4.387 124.299 119.914 -0.003 0.000 2.398 70 V HA 0.360 4.480 4.120 0.001 0.000 0.282 70 V C -0.611 175.484 176.094 0.001 0.000 1.014 70 V CA -0.539 61.760 62.300 -0.003 0.000 0.838 70 V CB 1.686 33.510 31.823 0.002 0.000 1.018 70 V HN 0.919 nan 8.190 nan 0.000 0.432 71 D N 4.264 124.663 120.400 -0.000 0.000 2.464 71 D HA 0.375 5.016 4.640 0.001 0.000 0.243 71 D C -0.455 175.845 176.300 0.000 0.000 1.104 71 D CA -0.195 53.805 54.000 0.000 0.000 0.883 71 D CB 1.805 42.604 40.800 -0.002 0.000 1.050 71 D HN 0.251 nan 8.370 nan 0.000 0.524 72 V N 3.651 123.566 119.914 0.002 0.000 2.488 72 V HA 0.183 4.303 4.120 0.001 0.000 0.277 72 V C 0.478 176.570 176.094 -0.004 0.000 1.046 72 V CA -0.454 61.846 62.300 0.001 0.000 0.986 72 V CB 1.341 33.166 31.823 0.003 0.000 0.989 72 V HN 0.488 nan 8.190 nan 0.000 0.475 73 D N 3.741 124.137 120.400 -0.006 0.000 2.443 73 D HA 0.157 4.798 4.640 0.001 0.000 0.221 73 D C 1.297 177.590 176.300 -0.011 0.000 1.097 73 D CA -0.023 53.972 54.000 -0.009 0.000 0.865 73 D CB 1.739 42.534 40.800 -0.010 0.000 1.034 73 D HN 0.717 nan 8.370 nan 0.000 0.511 74 T N 0.798 115.345 114.554 -0.011 0.000 2.951 74 T HA -0.009 4.342 4.350 0.001 0.000 0.268 74 T C 1.810 176.502 174.700 -0.015 0.000 1.073 74 T CA 0.793 62.885 62.100 -0.014 0.000 1.134 74 T CB 0.088 68.947 68.868 -0.015 0.000 0.884 74 T HN 0.247 nan 8.240 nan 0.000 0.479 75 A N 1.835 124.647 122.820 -0.013 0.000 1.898 75 A HA 0.485 4.805 4.320 0.001 0.000 0.216 75 A C 2.667 180.242 177.584 -0.014 0.000 1.181 75 A CA 1.427 53.456 52.037 -0.013 0.000 0.620 75 A CB -1.189 17.804 19.000 -0.011 0.000 0.819 75 A HN 0.717 nan 8.150 nan 0.000 0.442 76 A N -1.478 121.333 122.820 -0.015 0.000 2.208 76 A HA 0.241 4.561 4.320 0.001 0.000 0.209 76 A C 1.086 178.659 177.584 -0.017 0.000 1.161 76 A CA 0.497 52.525 52.037 -0.016 0.000 0.782 76 A CB -0.324 18.666 19.000 -0.016 0.000 0.816 76 A HN 0.488 nan 8.150 nan 0.000 0.477 77 R N 0.012 120.501 120.500 -0.018 0.000 3.264 77 R HA -0.143 4.198 4.340 0.001 0.000 0.251 77 R C -0.251 176.039 176.300 -0.017 0.000 0.971 77 R CA 0.882 56.969 56.100 -0.020 0.000 0.658 77 R CB -2.645 27.641 30.300 -0.024 0.000 1.095 77 R HN 0.747 nan 8.270 nan 0.000 0.443 78 T N -4.022 110.524 114.554 -0.013 0.000 2.901 78 T HA 0.709 5.060 4.350 0.001 0.000 0.293 78 T C -0.573 174.125 174.700 -0.004 0.000 1.084 78 T CA -0.713 61.382 62.100 -0.008 0.000 1.008 78 T CB 2.739 71.601 68.868 -0.010 0.000 1.170 78 T HN 0.095 nan 8.240 nan 0.000 0.509 79 V N 1.045 120.960 119.914 0.002 0.000 2.623 79 V HA 0.677 4.797 4.120 0.001 0.000 0.304 79 V C -0.662 175.433 176.094 0.001 0.000 1.054 79 V CA -0.969 61.333 62.300 0.004 0.000 0.882 79 V CB 1.783 33.613 31.823 0.011 0.000 1.002 79 V HN 1.096 nan 8.190 nan 0.000 0.424 80 R N 4.932 125.430 120.500 -0.002 0.000 2.254 80 R HA 0.748 5.088 4.340 0.001 0.000 0.318 80 R C -1.038 175.256 176.300 -0.011 0.000 1.031 80 R CA -0.263 55.834 56.100 -0.005 0.000 0.905 80 R CB 1.469 31.766 30.300 -0.005 0.000 1.050 80 R HN 0.777 nan 8.270 nan 0.000 0.456 81 V N 1.494 121.396 119.914 -0.019 0.000 2.638 81 V HA 0.666 4.787 4.120 0.001 0.000 0.306 81 V C 0.409 176.483 176.094 -0.034 0.000 1.052 81 V CA -0.959 61.321 62.300 -0.033 0.000 0.885 81 V CB 1.617 33.402 31.823 -0.064 0.000 0.999 81 V HN 0.841 nan 8.190 nan 0.000 0.424 82 G N 2.615 111.397 108.800 -0.030 0.000 2.484 82 G HA2 0.390 4.350 3.960 0.001 0.000 0.235 82 G HA3 0.390 4.350 3.960 0.001 0.000 0.235 82 G C 1.037 175.913 174.900 -0.040 0.000 1.282 82 G CA 0.141 45.225 45.100 -0.027 0.000 0.857 82 G HN 1.518 nan 8.290 nan 0.000 0.571 83 G N 1.170 109.950 108.800 -0.034 0.000 2.440 83 G HA2 -0.055 3.905 3.960 0.001 0.000 0.218 83 G HA3 -0.055 3.905 3.960 0.001 0.000 0.218 83 G C 1.636 176.513 174.900 -0.038 0.000 1.154 83 G CA 1.233 46.310 45.100 -0.038 0.000 0.767 83 G HN 1.007 nan 8.290 nan 0.000 0.552 84 G N -0.294 108.490 108.800 -0.027 0.000 2.848 84 G HA2 0.251 4.211 3.960 0.001 0.000 0.208 84 G HA3 0.251 4.211 3.960 0.001 0.000 0.208 84 G C 0.521 175.408 174.900 -0.022 0.000 1.152 84 G CA -0.017 45.073 45.100 -0.018 0.000 0.789 84 G HN 0.307 nan 8.290 nan 0.000 0.531 85 V N 1.077 120.966 119.914 -0.042 0.000 2.673 85 V HA 0.131 4.252 4.120 0.001 0.000 0.303 85 V C 0.680 176.722 176.094 -0.085 0.000 1.046 85 V CA 0.027 62.294 62.300 -0.054 0.000 1.126 85 V CB 0.662 32.443 31.823 -0.070 0.000 0.934 85 V HN 0.327 nan 8.190 nan 0.000 0.487 86 R N 2.794 123.268 120.500 -0.043 0.000 2.536 86 R HA 0.318 4.658 4.340 0.001 0.000 0.279 86 R C 0.451 176.721 176.300 -0.051 0.000 1.001 86 R CA -0.570 55.516 56.100 -0.023 0.000 1.027 86 R CB 0.775 31.117 30.300 0.070 0.000 1.096 86 R HN 0.650 nan 8.270 nan 0.000 0.502 87 Y N 1.060 121.360 120.300 -0.001 0.000 2.207 87 Y HA -0.309 4.241 4.550 0.001 0.000 0.287 87 Y C 2.391 178.283 175.900 -0.013 0.000 1.156 87 Y CA 1.998 60.098 58.100 -0.001 0.000 1.182 87 Y CB -0.208 38.238 38.460 -0.023 0.000 0.979 87 Y HN 0.815 nan 8.280 nan 0.000 0.521 88 A N -0.112 122.763 122.820 0.092 0.000 1.883 88 A HA -0.284 4.037 4.320 0.001 0.000 0.217 88 A C 2.057 179.684 177.584 0.071 0.000 1.186 88 A CA 2.182 54.241 52.037 0.037 0.000 0.624 88 A CB -0.632 18.382 19.000 0.022 0.000 0.822 88 A HN 0.440 nan 8.150 nan 0.000 0.444 89 E N -0.758 119.485 120.200 0.072 0.000 2.076 89 E HA -0.086 4.265 4.350 0.001 0.000 0.190 89 E C 1.821 178.445 176.600 0.040 0.000 0.979 89 E CA 0.847 57.279 56.400 0.053 0.000 0.807 89 E CB -0.298 29.429 29.700 0.044 0.000 0.761 89 E HN 0.403 nan 8.360 nan 0.000 0.454 90 L N 0.575 121.814 121.223 0.027 0.000 1.997 90 L HA -0.227 4.113 4.340 0.001 0.000 0.216 90 L C 2.126 179.061 176.870 0.109 0.000 1.074 90 L CA 2.569 57.431 54.840 0.037 0.000 0.763 90 L CB -1.053 40.989 42.059 -0.029 0.000 0.890 90 L HN 0.182 nan 8.230 nan 0.000 0.434 91 A N -0.327 122.573 122.820 0.134 0.000 1.873 91 A HA -0.233 4.087 4.320 0.001 0.000 0.215 91 A C 2.526 180.044 177.584 -0.109 0.000 1.186 91 A CA 1.740 53.845 52.037 0.114 0.000 0.616 91 A CB -0.760 18.197 19.000 -0.071 0.000 0.823 91 A HN 0.580 nan 8.150 nan 0.000 0.442 92 R N -0.077 120.367 120.500 -0.093 0.000 2.094 92 R HA -0.154 4.187 4.340 0.001 0.000 0.239 92 R C 1.884 178.185 176.300 0.002 0.000 1.137 92 R CA 2.318 58.378 56.100 -0.067 0.000 0.943 92 R CB -0.705 29.616 30.300 0.036 0.000 0.850 92 R HN 0.274 nan 8.270 nan 0.000 0.433 93 V N 1.383 121.316 119.914 0.032 0.000 2.295 93 V HA -0.239 3.881 4.120 0.001 0.000 0.246 93 V C 2.573 178.701 176.094 0.058 0.000 1.049 93 V CA 1.842 64.166 62.300 0.041 0.000 1.024 93 V CB -0.482 31.362 31.823 0.034 0.000 0.648 93 V HN 0.538 nan 8.190 nan 0.000 0.447 94 V N -1.065 118.911 119.914 0.104 0.000 2.548 94 V HA -0.254 3.867 4.120 0.001 0.000 0.249 94 V C 2.375 178.560 176.094 0.151 0.000 1.055 94 V CA 2.445 64.814 62.300 0.116 0.000 1.065 94 V CB -1.185 30.715 31.823 0.129 0.000 0.681 94 V HN 0.657 nan 8.190 nan 0.000 0.462 95 H N 1.682 120.832 119.070 0.133 0.000 2.353 95 H HA 0.071 4.627 4.556 0.001 0.000 0.300 95 H C 2.138 177.504 175.328 0.063 0.000 1.090 95 H CA 2.068 58.199 56.048 0.139 0.000 1.327 95 H CB -0.394 29.255 29.762 -0.188 0.000 1.383 95 H HN 0.509 nan 8.280 nan 0.000 0.508 96 A N 0.570 123.359 122.820 -0.051 0.000 2.121 96 A HA -0.056 4.264 4.320 0.001 0.000 0.218 96 A C 1.854 179.387 177.584 -0.085 0.000 1.154 96 A CA 0.922 52.909 52.037 -0.083 0.000 0.679 96 A CB -0.126 18.875 19.000 0.001 0.000 0.795 96 A HN 0.364 nan 8.150 nan 0.000 0.458 97 R N -1.041 119.424 120.500 -0.059 0.000 2.388 97 R HA 0.191 4.532 4.340 0.001 0.000 0.247 97 R C 1.040 177.303 176.300 -0.061 0.000 0.931 97 R CA 0.619 56.692 56.100 -0.045 0.000 1.082 97 R CB -0.323 29.966 30.300 -0.017 0.000 1.135 97 R HN 0.707 nan 8.270 nan 0.000 0.525 98 G N 1.334 110.067 108.800 -0.111 0.000 2.143 98 G HA2 -0.263 3.697 3.960 0.001 0.000 0.248 98 G HA3 -0.263 3.697 3.960 0.001 0.000 0.248 98 G C 0.000 174.870 174.900 -0.051 0.000 0.991 98 G CA 0.210 45.253 45.100 -0.095 0.000 0.689 98 G HN 0.242 nan 8.290 nan 0.000 0.522 99 L N -1.147 120.053 121.223 -0.038 0.000 2.230 99 L HA 0.982 5.322 4.340 0.001 0.000 0.255 99 L C 0.286 177.042 176.870 -0.189 0.000 1.039 99 L CA -0.749 54.044 54.840 -0.079 0.000 0.846 99 L CB 2.193 44.215 42.059 -0.061 0.000 1.419 99 L HN 0.628 nan 8.230 nan 0.000 0.435 100 A N 0.434 122.988 122.820 -0.444 0.000 2.604 100 A HA 0.692 5.012 4.320 0.001 0.000 0.295 100 A C -1.546 175.586 177.584 -0.754 0.000 1.067 100 A CA -0.529 50.759 52.037 -1.249 0.000 0.683 100 A CB 1.230 19.121 19.000 -1.849 0.000 1.281 100 A HN 0.510 nan 8.150 nan 0.000 0.407 101 L N 1.803 122.496 121.223 -0.883 0.000 2.399 101 L HA 0.400 4.741 4.340 0.001 0.000 0.266 101 L C -1.160 175.710 176.870 -0.001 0.000 1.114 101 L CA -1.768 52.960 54.840 -0.186 0.000 0.804 101 L CB 1.240 43.386 42.059 0.144 0.000 1.146 101 L HN 0.624 nan 8.230 nan 0.000 0.451 102 P HA -0.020 nan 4.420 nan 0.000 0.231 102 P C -0.294 177.222 177.300 0.359 0.000 1.168 102 P CA 0.798 64.049 63.100 0.252 0.000 0.779 102 P CB 0.429 32.222 31.700 0.155 0.000 0.844 103 N N -1.619 117.236 118.700 0.257 0.000 2.823 103 N HA 0.492 5.232 4.740 0.001 0.000 0.251 103 N C -1.464 174.115 175.510 0.115 0.000 1.392 103 N CA -0.630 52.544 53.050 0.207 0.000 0.864 103 N CB 1.547 40.089 38.487 0.092 0.000 1.481 103 N HN -0.280 nan 8.380 nan 0.000 0.508 104 M N 1.338 120.948 119.600 0.018 0.000 2.531 104 M HA 0.536 5.016 4.480 0.001 0.000 0.286 104 M C -0.626 175.528 176.300 -0.243 0.000 1.232 104 M CA -0.587 54.616 55.300 -0.161 0.000 0.877 104 M CB 2.067 34.625 32.600 -0.069 0.000 1.726 104 M HN 0.627 nan 8.290 nan 0.000 0.463 105 A N 0.544 123.145 122.820 -0.365 0.000 2.292 105 A HA 0.397 4.717 4.320 0.001 0.000 0.265 105 A C 1.133 178.504 177.584 -0.354 0.000 1.133 105 A CA 0.319 52.147 52.037 -0.348 0.000 0.807 105 A CB -0.021 18.775 19.000 -0.340 0.000 1.102 105 A HN 1.005 nan 8.150 nan 0.000 0.502 106 S N -1.060 114.413 115.700 -0.378 0.000 2.423 106 S HA 0.016 4.486 4.470 0.001 0.000 0.231 106 S C 0.407 174.946 174.600 -0.102 0.000 1.014 106 S CA 1.310 59.244 58.200 -0.443 0.000 0.965 106 S CB -0.500 62.547 63.200 -0.255 0.000 0.785 106 S HN 0.911 nan 8.310 nan 0.000 0.495 107 L N 1.774 122.946 121.223 -0.086 0.000 2.438 107 L HA 0.480 4.821 4.340 0.001 0.000 0.270 107 L C -2.337 174.408 176.870 -0.207 0.000 0.972 107 L CA -1.790 53.035 54.840 -0.024 0.000 0.831 107 L CB 2.293 44.342 42.059 -0.017 0.000 1.273 107 L HN -0.193 nan 8.230 nan 0.000 0.405 108 P HA -0.027 nan 4.420 nan 0.000 0.236 108 P C 0.183 177.322 177.300 -0.268 0.000 1.177 108 P CA 0.655 63.584 63.100 -0.284 0.000 0.773 108 P CB 0.093 31.603 31.700 -0.317 0.000 0.878 109 H N 0.747 119.782 119.070 -0.058 0.000 2.989 109 H HA 0.299 4.855 4.556 0.001 0.000 0.284 109 H C 0.606 175.859 175.328 -0.125 0.000 1.440 109 H CA 0.113 56.123 56.048 -0.063 0.000 1.209 109 H CB -0.948 28.781 29.762 -0.055 0.000 1.453 109 H HN 0.256 nan 8.280 nan 0.000 0.550 110 I N 0.457 121.017 120.570 -0.016 0.000 2.608 110 I HA 0.110 4.281 4.170 0.001 0.000 0.295 110 I C 0.567 176.742 176.117 0.097 0.000 1.049 110 I CA -1.078 60.211 61.300 -0.018 0.000 1.063 110 I CB 2.095 40.007 38.000 -0.147 0.000 1.248 110 I HN 0.073 nan 8.210 nan 0.000 0.424 111 S N 3.873 119.616 115.700 0.072 0.000 2.560 111 S HA 0.119 4.590 4.470 0.001 0.000 0.284 111 S C 0.977 175.588 174.600 0.019 0.000 1.327 111 S CA -0.567 57.650 58.200 0.029 0.000 1.055 111 S CB 1.186 64.403 63.200 0.028 0.000 0.868 111 S HN 0.414 nan 8.310 nan 0.000 0.506 112 V N 4.607 124.432 119.914 -0.148 0.000 2.270 112 V HA -0.130 3.990 4.120 0.001 0.000 0.245 112 V C 2.985 179.064 176.094 -0.025 0.000 1.043 112 V CA 2.280 64.433 62.300 -0.244 0.000 1.014 112 V CB -1.791 29.750 31.823 -0.469 0.000 0.645 112 V HN 1.047 nan 8.190 nan 0.000 0.447 113 A N 0.605 123.405 122.820 -0.034 0.000 1.908 113 A HA -0.148 4.172 4.320 0.001 0.000 0.218 113 A C 2.410 180.009 177.584 0.024 0.000 1.181 113 A CA 2.158 54.190 52.037 -0.008 0.000 0.627 113 A CB -1.307 17.679 19.000 -0.024 0.000 0.818 113 A HN 0.551 nan 8.150 nan 0.000 0.445 114 G N -0.924 107.900 108.800 0.040 0.000 2.418 114 G HA2 -0.116 3.845 3.960 0.001 0.000 0.217 114 G HA3 -0.116 3.845 3.960 0.001 0.000 0.217 114 G C 1.816 176.779 174.900 0.106 0.000 1.158 114 G CA 1.296 46.434 45.100 0.063 0.000 0.771 114 G HN 0.497 nan 8.290 nan 0.000 0.545 115 S N 0.184 115.970 115.700 0.143 0.000 2.348 115 S HA -0.164 4.307 4.470 0.001 0.000 0.221 115 S C 2.654 177.350 174.600 0.160 0.000 1.033 115 S CA 1.768 60.080 58.200 0.185 0.000 1.010 115 S CB -0.520 62.863 63.200 0.305 0.000 0.891 115 S HN 0.543 nan 8.310 nan 0.000 0.442 116 V N 0.400 120.397 119.914 0.139 0.000 2.809 116 V HA 0.151 4.272 4.120 0.001 0.000 0.256 116 V C 2.189 178.311 176.094 0.048 0.000 1.080 116 V CA 1.190 63.547 62.300 0.095 0.000 1.102 116 V CB -1.361 30.510 31.823 0.080 0.000 0.705 116 V HN 0.390 nan 8.190 nan 0.000 0.475 117 A N 1.660 124.504 122.820 0.040 0.000 2.024 117 A HA -0.133 4.188 4.320 0.001 0.000 0.220 117 A C 2.305 179.892 177.584 0.006 0.000 1.164 117 A CA 2.532 54.568 52.037 -0.002 0.000 0.643 117 A CB -0.869 18.130 19.000 -0.003 0.000 0.806 117 A HN 0.888 nan 8.150 nan 0.000 0.451 118 T N -6.363 108.249 114.554 0.096 0.000 3.043 118 T HA 0.460 4.811 4.350 0.001 0.000 0.272 118 T C 1.098 175.880 174.700 0.136 0.000 0.990 118 T CA 0.984 63.199 62.100 0.192 0.000 0.897 118 T CB 0.502 69.561 68.868 0.318 0.000 1.111 118 T HN 1.713 nan 8.240 nan 0.000 0.529 119 G N 1.512 110.359 108.800 0.078 0.000 2.131 119 G HA2 -0.203 3.757 3.960 0.001 0.000 0.201 119 G HA3 -0.203 3.757 3.960 0.001 0.000 0.201 119 G C 0.045 174.983 174.900 0.063 0.000 1.000 119 G CA -0.219 44.904 45.100 0.038 0.000 0.680 119 G HN 0.663 nan 8.290 nan 0.000 0.514 120 T N 1.095 115.735 114.554 0.142 0.000 2.946 120 T HA 0.469 4.819 4.350 0.001 0.000 0.312 120 T C 0.301 175.068 174.700 0.112 0.000 1.066 120 T CA 1.364 63.582 62.100 0.196 0.000 1.138 120 T CB 0.383 69.329 68.868 0.131 0.000 1.014 120 T HN 1.099 nan 8.240 nan 0.000 0.544 121 H N -0.762 118.345 119.070 0.062 0.000 3.016 121 H HA 0.705 5.261 4.556 0.001 0.000 0.362 121 H C 0.207 175.505 175.328 -0.051 0.000 1.233 121 H CA -0.998 55.049 56.048 -0.001 0.000 1.124 121 H CB 0.814 30.584 29.762 0.014 0.000 1.850 121 H HN 0.625 nan 8.280 nan 0.000 0.549 122 G N -0.151 108.632 108.800 -0.027 0.000 3.227 122 G HA2 0.464 4.425 3.960 0.001 0.000 0.171 122 G HA3 0.464 4.425 3.960 0.001 0.000 0.171 122 G C -0.646 174.315 174.900 0.102 0.000 1.463 122 G CA -0.176 44.889 45.100 -0.059 0.000 1.016 122 G HN 0.694 nan 8.290 nan 0.000 0.594 123 S N -2.295 113.407 115.700 0.003 0.000 2.667 123 S HA 0.728 5.198 4.470 0.001 0.000 0.292 123 S C -0.427 174.101 174.600 -0.120 0.000 1.126 123 S CA 0.429 58.610 58.200 -0.032 0.000 0.881 123 S CB 1.444 64.613 63.200 -0.051 0.000 1.132 123 S HN 2.168 nan 8.310 nan 0.000 0.492 124 G N 0.265 108.972 108.800 -0.155 0.000 2.931 124 G HA2 -0.015 3.945 3.960 0.001 0.000 0.675 124 G HA3 -0.015 3.945 3.960 0.001 0.000 0.675 124 G C 0.245 175.026 174.900 -0.198 0.000 1.339 124 G CA -0.176 44.780 45.100 -0.240 0.000 0.866 124 G HN 1.570 nan 8.290 nan 0.000 0.616 125 V N 0.305 120.114 119.914 -0.174 0.000 2.759 125 V HA 0.313 4.433 4.120 0.001 0.000 0.256 125 V C 2.046 178.069 176.094 -0.119 0.000 1.080 125 V CA 2.630 64.852 62.300 -0.130 0.000 1.101 125 V CB -0.236 31.519 31.823 -0.114 0.000 0.698 125 V HN 1.862 nan 8.190 nan 0.000 0.477 126 G N 0.271 108.982 108.800 -0.148 0.000 3.277 126 G HA2 0.185 4.146 3.960 0.001 0.000 0.243 126 G HA3 0.185 4.146 3.960 0.001 0.000 0.243 126 G C 0.144 174.965 174.900 -0.133 0.000 1.107 126 G CA -0.354 44.674 45.100 -0.119 0.000 0.771 126 G HN 0.494 nan 8.290 nan 0.000 0.544 127 N N 1.129 119.724 118.700 -0.175 0.000 2.424 127 N HA 0.414 5.154 4.740 0.001 0.000 0.271 127 N C 0.589 176.055 175.510 -0.072 0.000 0.985 127 N CA -0.265 52.695 53.050 -0.150 0.000 0.921 127 N CB 1.826 40.164 38.487 -0.248 0.000 1.149 127 N HN 0.093 nan 8.380 nan 0.000 0.492 128 G N 0.476 109.259 108.800 -0.028 0.000 2.667 128 G HA2 0.192 4.152 3.960 0.001 0.000 0.250 128 G HA3 0.192 4.152 3.960 0.001 0.000 0.250 128 G C 0.471 175.390 174.900 0.032 0.000 1.212 128 G CA -0.399 44.703 45.100 0.004 0.000 0.874 128 G HN 0.553 nan 8.290 nan 0.000 0.561 129 S N -0.410 115.324 115.700 0.056 0.000 2.589 129 S HA 0.002 4.473 4.470 0.001 0.000 0.256 129 S C 1.606 176.256 174.600 0.082 0.000 1.383 129 S CA -0.325 57.933 58.200 0.096 0.000 0.983 129 S CB 0.421 63.682 63.200 0.102 0.000 0.908 129 S HN 0.429 nan 8.310 nan 0.000 0.572 130 L N 0.601 121.874 121.223 0.082 0.000 2.201 130 L HA -0.056 4.285 4.340 0.001 0.000 0.212 130 L C 2.968 179.912 176.870 0.124 0.000 1.105 130 L CA 1.333 56.227 54.840 0.091 0.000 0.775 130 L CB -1.205 40.889 42.059 0.057 0.000 0.913 130 L HN 0.929 nan 8.230 nan 0.000 0.440 131 A N 0.385 123.265 122.820 0.100 0.000 2.070 131 A HA -0.191 4.129 4.320 0.001 0.000 0.220 131 A C 2.515 180.146 177.584 0.078 0.000 1.159 131 A CA 1.697 53.778 52.037 0.074 0.000 0.656 131 A CB -0.498 18.520 19.000 0.030 0.000 0.800 131 A HN 0.534 nan 8.150 nan 0.000 0.453 132 S N 0.089 115.839 115.700 0.084 0.000 2.447 132 S HA -0.102 4.368 4.470 0.001 0.000 0.233 132 S C 1.586 176.248 174.600 0.103 0.000 1.006 132 S CA 1.329 59.582 58.200 0.088 0.000 0.957 132 S CB -0.994 62.247 63.200 0.068 0.000 0.773 132 S HN 0.985 nan 8.310 nan 0.000 0.507 133 V N -0.719 119.257 119.914 0.104 0.000 3.541 133 V HA 0.358 4.479 4.120 0.001 0.000 0.267 133 V C 0.861 177.022 176.094 0.112 0.000 1.213 133 V CA -0.322 62.036 62.300 0.097 0.000 1.149 133 V CB -0.952 30.928 31.823 0.094 0.000 0.822 133 V HN 0.315 nan 8.190 nan 0.000 0.462 134 V N 3.473 123.474 119.914 0.145 0.000 2.479 134 V HA 0.186 4.307 4.120 0.001 0.000 0.281 134 V C 1.736 178.000 176.094 0.282 0.000 1.031 134 V CA 0.605 63.015 62.300 0.183 0.000 1.038 134 V CB 0.570 32.491 31.823 0.164 0.000 0.981 134 V HN 0.768 nan 8.190 nan 0.000 0.478 135 R N 3.377 123.967 120.500 0.151 0.000 2.308 135 R HA 0.362 4.702 4.340 0.001 0.000 0.202 135 R C 0.454 176.675 176.300 -0.131 0.000 0.898 135 R CA -0.027 56.059 56.100 -0.023 0.000 1.046 135 R CB 0.910 31.171 30.300 -0.066 0.000 1.026 135 R HN 0.695 nan 8.270 nan 0.000 0.512 136 E N 0.844 121.098 120.200 0.091 0.000 2.363 136 E HA 0.307 4.657 4.350 0.001 0.000 0.281 136 E C -1.688 175.014 176.600 0.169 0.000 0.953 136 E CA -1.024 55.435 56.400 0.099 0.000 0.778 136 E CB 2.554 32.252 29.700 -0.005 0.000 1.220 136 E HN 0.094 nan 8.360 nan 0.000 0.431 137 V N 0.000 120.023 119.914 0.181 0.000 2.656 137 V HA 0.658 4.779 4.120 0.001 0.000 0.307 137 V C -0.730 175.389 176.094 0.043 0.000 1.051 137 V CA -0.756 61.596 62.300 0.087 0.000 0.893 137 V CB 1.764 33.620 31.823 0.054 0.000 0.999 137 V HN 0.720 nan 8.190 nan 0.000 0.426 138 E N 3.790 123.997 120.200 0.011 0.000 2.133 138 E HA 0.656 5.006 4.350 0.001 0.000 0.274 138 E C -1.404 175.179 176.600 -0.029 0.000 0.930 138 E CA -0.563 55.834 56.400 -0.006 0.000 0.770 138 E CB 2.252 31.948 29.700 -0.006 0.000 1.104 138 E HN 0.670 nan 8.360 nan 0.000 0.403 139 L N 2.878 124.077 121.223 -0.040 0.000 2.341 139 L HA 0.408 4.748 4.340 0.001 0.000 0.278 139 L C -0.511 176.320 176.870 -0.065 0.000 1.005 139 L CA -1.098 53.695 54.840 -0.078 0.000 0.818 139 L CB 1.959 43.955 42.059 -0.106 0.000 1.259 139 L HN 0.247 nan 8.230 nan 0.000 0.418 140 V N 1.983 121.854 119.914 -0.071 0.000 2.389 140 V HA 0.212 4.332 4.120 0.001 0.000 0.264 140 V C 0.763 176.826 176.094 -0.051 0.000 1.049 140 V CA -0.354 61.927 62.300 -0.032 0.000 0.932 140 V CB 0.964 32.790 31.823 0.005 0.000 1.011 140 V HN 0.921 nan 8.190 nan 0.000 0.475 141 T N 2.719 117.270 114.554 -0.005 0.000 2.810 141 T HA 0.528 4.878 4.350 0.001 0.000 0.277 141 T C 1.482 176.305 174.700 0.206 0.000 0.973 141 T CA 0.026 62.145 62.100 0.031 0.000 0.949 141 T CB 1.430 70.308 68.868 0.016 0.000 1.075 141 T HN 0.614 nan 8.240 nan 0.000 0.537 142 A N 0.780 123.784 122.820 0.306 0.000 2.024 142 A HA -0.068 4.252 4.320 0.001 0.000 0.220 142 A C 1.845 179.504 177.584 0.126 0.000 1.164 142 A CA 1.795 54.013 52.037 0.303 0.000 0.643 142 A CB -1.061 18.064 19.000 0.208 0.000 0.806 142 A HN 0.963 nan 8.150 nan 0.000 0.451 143 D N -2.606 117.849 120.400 0.091 0.000 2.339 143 D HA 0.287 4.927 4.640 0.001 0.000 0.217 143 D C 1.150 177.478 176.300 0.047 0.000 1.050 143 D CA 0.979 55.010 54.000 0.051 0.000 0.856 143 D CB -0.366 40.454 40.800 0.035 0.000 0.922 143 D HN 0.740 nan 8.370 nan 0.000 0.518 144 G N 0.216 109.055 108.800 0.065 0.000 2.213 144 G HA2 -0.271 3.689 3.960 0.001 0.000 0.236 144 G HA3 -0.271 3.689 3.960 0.001 0.000 0.236 144 G C 0.398 175.320 174.900 0.036 0.000 0.991 144 G CA 0.319 45.449 45.100 0.050 0.000 0.629 144 G HN 0.836 nan 8.290 nan 0.000 0.517 145 S N 0.196 115.915 115.700 0.032 0.000 2.601 145 S HA 0.644 5.114 4.470 0.001 0.000 0.271 145 S C 0.135 174.742 174.600 0.012 0.000 1.305 145 S CA 0.552 58.764 58.200 0.019 0.000 1.022 145 S CB 1.809 65.018 63.200 0.016 0.000 0.940 145 S HN 0.533 nan 8.310 nan 0.000 0.525 146 T N 2.461 117.018 114.554 0.005 0.000 2.780 146 T HA 0.478 4.829 4.350 0.001 0.000 0.294 146 T C -0.475 174.223 174.700 -0.005 0.000 0.949 146 T CA -0.473 61.625 62.100 -0.003 0.000 1.074 146 T CB 0.707 69.573 68.868 -0.002 0.000 0.910 146 T HN 0.559 nan 8.240 nan 0.000 0.501 147 V N 4.489 124.396 119.914 -0.012 0.000 2.448 147 V HA 0.417 4.537 4.120 0.001 0.000 0.295 147 V C -0.126 175.965 176.094 -0.005 0.000 1.025 147 V CA -0.793 61.502 62.300 -0.008 0.000 0.859 147 V CB 1.915 33.730 31.823 -0.013 0.000 0.988 147 V HN 0.658 nan 8.190 nan 0.000 0.431 148 V N 6.611 126.527 119.914 0.003 0.000 2.370 148 V HA 0.524 4.644 4.120 0.001 0.000 0.283 148 V C -0.168 175.943 176.094 0.028 0.000 1.023 148 V CA -0.296 62.012 62.300 0.012 0.000 0.857 148 V CB 1.498 33.323 31.823 0.004 0.000 0.985 148 V HN 0.668 nan 8.190 nan 0.000 0.443 149 I N 4.171 124.780 120.570 0.065 0.000 2.465 149 I HA 0.831 5.001 4.170 0.001 0.000 0.291 149 I C 0.141 176.350 176.117 0.153 0.000 1.014 149 I CA -0.526 60.846 61.300 0.119 0.000 1.093 149 I CB 1.944 40.038 38.000 0.157 0.000 1.267 149 I HN 0.660 nan 8.210 nan 0.000 0.431 150 A N 5.555 128.354 122.820 -0.036 0.000 2.423 150 A HA 0.645 4.965 4.320 0.001 0.000 0.304 150 A C -0.319 176.730 177.584 -0.892 0.000 1.104 150 A CA -0.805 50.996 52.037 -0.393 0.000 0.757 150 A CB 1.438 20.296 19.000 -0.236 0.000 1.313 150 A HN 0.779 nan 8.150 nan 0.000 0.423 151 R N -0.192 119.445 120.500 -1.439 0.000 2.583 151 R HA 0.287 4.627 4.340 0.001 0.000 0.274 151 R C 1.339 177.378 176.300 -0.434 0.000 0.998 151 R CA 2.150 57.562 56.100 -1.147 0.000 1.081 151 R CB -0.027 29.857 30.300 -0.693 0.000 0.940 151 R HN 1.840 nan 8.270 nan 0.000 0.413 152 G N 2.719 111.396 108.800 -0.205 0.000 2.308 152 G HA2 -0.259 3.701 3.960 0.001 0.000 0.221 152 G HA3 -0.259 3.701 3.960 0.001 0.000 0.221 152 G C -0.027 174.864 174.900 -0.015 0.000 1.032 152 G CA 0.129 45.183 45.100 -0.077 0.000 0.623 152 G HN 0.699 nan 8.290 nan 0.000 0.506 153 D N 1.808 122.195 120.400 -0.021 0.000 2.424 153 D HA 0.212 4.852 4.640 0.001 0.000 0.244 153 D C 1.902 178.273 176.300 0.119 0.000 1.134 153 D CA 0.378 54.409 54.000 0.053 0.000 0.881 153 D CB 0.795 41.634 40.800 0.066 0.000 1.191 153 D HN 0.453 nan 8.370 nan 0.000 0.445 154 E N 4.432 124.705 120.200 0.123 0.000 2.267 154 E HA -0.227 4.124 4.350 0.001 0.000 0.197 154 E C 1.156 177.899 176.600 0.238 0.000 0.998 154 E CA 1.062 57.572 56.400 0.183 0.000 0.830 154 E CB -0.293 29.502 29.700 0.158 0.000 0.751 154 E HN 0.523 nan 8.360 nan 0.000 0.491 155 R N -0.734 119.860 120.500 0.157 0.000 2.297 155 R HA 0.148 4.488 4.340 0.001 0.000 0.197 155 R C 1.783 178.004 176.300 -0.132 0.000 0.943 155 R CA 0.215 56.363 56.100 0.081 0.000 1.038 155 R CB -0.365 29.976 30.300 0.070 0.000 0.957 155 R HN 0.065 nan 8.270 nan 0.000 0.484 156 F N 1.334 121.170 119.950 -0.190 0.000 2.216 156 F HA -0.034 4.493 4.527 0.001 0.000 0.300 156 F C 2.146 177.694 175.800 -0.420 0.000 1.085 156 F CA 1.442 59.306 58.000 -0.226 0.000 1.326 156 F CB -0.394 38.535 39.000 -0.119 0.000 1.027 156 F HN 0.019 nan 8.300 nan 0.000 0.497 157 G N -0.769 107.601 108.800 -0.717 0.000 2.470 157 G HA2 -0.148 3.812 3.960 0.001 0.000 0.220 157 G HA3 -0.148 3.812 3.960 0.001 0.000 0.220 157 G C 1.700 175.603 174.900 -1.661 0.000 1.121 157 G CA 0.673 45.020 45.100 -1.254 0.000 0.766 157 G HN 0.576 nan 8.290 nan 0.000 0.553 158 G N -0.583 107.262 108.800 -1.593 0.000 3.277 158 G HA2 0.419 4.379 3.960 0.001 0.000 0.243 158 G HA3 0.419 4.379 3.960 0.001 0.000 0.243 158 G C 1.260 176.032 174.900 -0.214 0.000 1.107 158 G CA 0.984 45.765 45.100 -0.532 0.000 0.771 158 G HN 0.483 nan 8.290 nan 0.000 0.544 159 A N -0.276 122.277 122.820 -0.446 0.000 2.147 159 A HA 0.476 4.797 4.320 0.001 0.000 0.211 159 A C 2.037 179.434 177.584 -0.312 0.000 1.160 159 A CA 0.909 52.757 52.037 -0.316 0.000 0.781 159 A CB 0.203 19.025 19.000 -0.297 0.000 0.842 159 A HN 0.173 nan 8.150 nan 0.000 0.475 160 V N -0.996 118.665 119.914 -0.422 0.000 2.599 160 V HA 0.011 4.131 4.120 0.001 0.000 0.237 160 V C 1.029 177.021 176.094 -0.170 0.000 1.081 160 V CA 1.482 63.604 62.300 -0.296 0.000 1.107 160 V CB -0.510 31.100 31.823 -0.355 0.000 0.808 160 V HN 0.344 nan 8.190 nan 0.000 0.486 161 T N 1.570 116.018 114.554 -0.175 0.000 3.176 161 T HA 0.236 4.587 4.350 0.001 0.000 0.301 161 T C 0.668 175.234 174.700 -0.223 0.000 1.115 161 T CA 0.185 62.205 62.100 -0.134 0.000 1.027 161 T CB 0.286 69.117 68.868 -0.062 0.000 1.063 161 T HN 0.342 nan 8.240 nan 0.000 0.669 162 S N 2.030 117.622 115.700 -0.180 0.000 2.701 162 S HA 0.227 4.697 4.470 0.001 0.000 0.242 162 S C 0.969 175.459 174.600 -0.184 0.000 1.025 162 S CA -0.542 57.575 58.200 -0.138 0.000 1.016 162 S CB -0.196 63.080 63.200 0.127 0.000 0.977 162 S HN 0.738 nan 8.310 nan 0.000 0.546 163 L N 1.081 122.157 121.223 -0.244 0.000 3.839 163 L HA -0.277 4.064 4.340 0.001 0.000 0.416 163 L C 1.176 178.015 176.870 -0.053 0.000 1.195 163 L CA 0.194 54.926 54.840 -0.180 0.000 0.946 163 L CB -2.440 39.446 42.059 -0.288 0.000 1.891 163 L HN 0.571 nan 8.230 nan 0.000 0.963 164 G N -0.953 107.825 108.800 -0.037 0.000 2.233 164 G HA2 -0.216 3.744 3.960 0.001 0.000 0.270 164 G HA3 -0.216 3.744 3.960 0.001 0.000 0.270 164 G C 0.739 175.646 174.900 0.013 0.000 1.011 164 G CA 0.568 45.653 45.100 -0.025 0.000 0.762 164 G HN 1.147 nan 8.290 nan 0.000 0.511 165 A N -0.934 121.933 122.820 0.079 0.000 2.345 165 A HA 0.679 4.999 4.320 0.001 0.000 0.225 165 A C 1.927 179.555 177.584 0.074 0.000 1.243 165 A CA 0.787 52.923 52.037 0.165 0.000 0.875 165 A CB 0.046 19.206 19.000 0.266 0.000 0.929 165 A HN 0.541 nan 8.150 nan 0.000 0.502 166 L N -1.718 119.450 121.223 -0.092 0.000 2.575 166 L HA 0.392 4.732 4.340 0.001 0.000 0.228 166 L C 1.153 177.754 176.870 -0.448 0.000 1.075 166 L CA 0.708 55.441 54.840 -0.179 0.000 0.867 166 L CB 0.294 42.278 42.059 -0.125 0.000 1.097 166 L HN 0.543 nan 8.230 nan 0.000 0.485 167 G N -0.364 107.883 108.800 -0.922 0.000 2.357 167 G HA2 0.019 3.979 3.960 0.001 0.000 0.289 167 G HA3 0.019 3.979 3.960 0.001 0.000 0.289 167 G C -1.430 172.964 174.900 -0.843 0.000 1.302 167 G CA -0.808 43.381 45.100 -1.518 0.000 0.936 167 G HN -0.302 nan 8.290 nan 0.000 0.513 168 V N 0.659 120.262 119.914 -0.517 0.000 2.385 168 V HA 0.433 4.554 4.120 0.001 0.000 0.269 168 V C 0.774 176.783 176.094 -0.143 0.000 1.043 168 V CA -0.561 61.615 62.300 -0.207 0.000 0.906 168 V CB 1.219 33.014 31.823 -0.046 0.000 0.995 168 V HN 0.719 nan 8.190 nan 0.000 0.467 169 V N 5.875 125.722 119.914 -0.112 0.000 2.397 169 V HA 0.080 4.201 4.120 0.001 0.000 0.262 169 V C 1.500 177.565 176.094 -0.049 0.000 1.047 169 V CA 0.756 63.011 62.300 -0.075 0.000 1.003 169 V CB 0.786 32.572 31.823 -0.062 0.000 1.037 169 V HN 1.121 nan 8.190 nan 0.000 0.480 170 T N 0.709 115.240 114.554 -0.039 0.000 3.044 170 T HA 0.156 4.506 4.350 0.001 0.000 0.255 170 T C 0.751 175.438 174.700 -0.020 0.000 1.073 170 T CA 0.145 62.230 62.100 -0.026 0.000 1.125 170 T CB 0.353 69.210 68.868 -0.019 0.000 0.908 170 T HN 0.475 nan 8.240 nan 0.000 0.480 171 S N -0.009 115.679 115.700 -0.019 0.000 2.556 171 S HA 0.766 5.237 4.470 0.001 0.000 0.271 171 S C -1.804 172.791 174.600 -0.008 0.000 1.135 171 S CA -0.844 57.348 58.200 -0.014 0.000 0.858 171 S CB 1.695 64.890 63.200 -0.008 0.000 1.114 171 S HN 0.294 nan 8.310 nan 0.000 0.468 172 L N 1.381 122.601 121.223 -0.006 0.000 2.388 172 L HA 0.647 4.988 4.340 0.001 0.000 0.264 172 L C -0.331 176.547 176.870 0.014 0.000 0.998 172 L CA -0.440 54.407 54.840 0.013 0.000 0.817 172 L CB 2.280 44.343 42.059 0.007 0.000 1.338 172 L HN 0.521 nan 8.230 nan 0.000 0.414 173 T N 2.733 117.306 114.554 0.031 0.000 2.797 173 T HA 0.784 5.135 4.350 0.001 0.000 0.279 173 T C -0.795 173.927 174.700 0.037 0.000 0.991 173 T CA -0.376 61.737 62.100 0.022 0.000 0.979 173 T CB 1.210 70.083 68.868 0.008 0.000 0.943 173 T HN 0.126 nan 8.240 nan 0.000 0.444 174 L N 2.964 124.204 121.223 0.030 0.000 2.386 174 L HA 0.468 4.808 4.340 0.001 0.000 0.271 174 L C -0.116 176.771 176.870 0.028 0.000 0.993 174 L CA -0.690 54.176 54.840 0.044 0.000 0.819 174 L CB 1.812 43.904 42.059 0.055 0.000 1.294 174 L HN 0.532 nan 8.230 nan 0.000 0.414 175 D N 2.818 123.236 120.400 0.030 0.000 2.302 175 D HA 0.552 5.192 4.640 0.001 0.000 0.248 175 D C -0.354 175.950 176.300 0.006 0.000 1.094 175 D CA 0.107 54.114 54.000 0.012 0.000 0.897 175 D CB 1.393 42.200 40.800 0.012 0.000 1.200 175 D HN 0.243 nan 8.370 nan 0.000 0.429 176 L N 0.858 122.072 121.223 -0.015 0.000 2.283 176 L HA 0.498 4.838 4.340 0.001 0.000 0.259 176 L C 0.362 177.201 176.870 -0.052 0.000 1.027 176 L CA -0.901 53.913 54.840 -0.043 0.000 0.828 176 L CB 1.913 43.942 42.059 -0.051 0.000 1.380 176 L HN 0.404 nan 8.230 nan 0.000 0.425 177 E N -0.307 119.845 120.200 -0.080 0.000 2.410 177 E HA 0.559 4.909 4.350 0.001 0.000 0.269 177 E C -2.835 173.723 176.600 -0.070 0.000 0.937 177 E CA -2.442 53.918 56.400 -0.066 0.000 0.793 177 E CB 1.677 31.336 29.700 -0.069 0.000 1.314 177 E HN 0.142 nan 8.360 nan 0.000 0.447 178 P HA -0.011 nan 4.420 nan 0.000 0.264 178 P C -0.637 176.671 177.300 0.013 0.000 1.183 178 P CA 0.359 63.449 63.100 -0.017 0.000 0.763 178 P CB 0.444 32.143 31.700 -0.001 0.000 0.807 179 A N 3.921 126.734 122.820 -0.011 0.000 2.565 179 A HA 0.285 4.605 4.320 0.001 0.000 0.237 179 A C -0.312 177.368 177.584 0.160 0.000 1.053 179 A CA 0.617 52.662 52.037 0.012 0.000 0.755 179 A CB -0.909 18.196 19.000 0.175 0.000 0.980 179 A HN 0.593 nan 8.150 nan 0.000 0.506 180 Y N -0.567 119.779 120.300 0.076 0.000 2.576 180 Y HA 0.746 5.297 4.550 0.001 0.000 0.346 180 Y C -0.325 175.706 175.900 0.218 0.000 1.018 180 Y CA -1.180 56.972 58.100 0.087 0.000 1.050 180 Y CB 1.147 39.574 38.460 -0.054 0.000 1.280 180 Y HN 0.754 nan 8.280 nan 0.000 0.474 181 E N 3.145 123.495 120.200 0.249 0.000 2.222 181 E HA 0.647 4.997 4.350 0.001 0.000 0.272 181 E C -1.379 175.324 176.600 0.172 0.000 0.982 181 E CA -0.851 55.642 56.400 0.155 0.000 0.842 181 E CB 1.262 31.031 29.700 0.115 0.000 1.144 181 E HN 0.839 nan 8.360 nan 0.000 0.397 182 M N 2.034 121.695 119.600 0.102 0.000 2.531 182 M HA 0.355 4.836 4.480 0.001 0.000 0.286 182 M C -1.226 175.102 176.300 0.047 0.000 1.232 182 M CA -0.714 54.649 55.300 0.105 0.000 0.877 182 M CB 2.648 35.327 32.600 0.132 0.000 1.726 182 M HN 0.466 nan 8.290 nan 0.000 0.463 183 E N 1.144 121.383 120.200 0.065 0.000 2.256 183 E HA 0.446 4.796 4.350 0.001 0.000 0.267 183 E C -1.428 175.163 176.600 -0.015 0.000 0.892 183 E CA -0.804 55.590 56.400 -0.010 0.000 0.775 183 E CB 2.890 32.617 29.700 0.045 0.000 1.207 183 E HN 0.472 nan 8.360 nan 0.000 0.420 184 Q N 2.065 121.754 119.800 -0.185 0.000 2.357 184 Q HA 0.263 4.604 4.340 0.001 0.000 0.266 184 Q C -1.588 174.155 176.000 -0.427 0.000 1.021 184 Q CA -0.631 55.061 55.803 -0.185 0.000 0.784 184 Q CB 0.699 29.325 28.738 -0.186 0.000 1.243 184 Q HN 0.514 nan 8.270 nan 0.000 0.465 185 H N 1.545 120.471 119.070 -0.239 0.000 2.504 185 H HA 0.456 5.012 4.556 0.001 0.000 0.322 185 H C -0.813 174.173 175.328 -0.569 0.000 1.055 185 H CA -0.519 55.289 56.048 -0.400 0.000 1.231 185 H CB 1.478 31.109 29.762 -0.219 0.000 1.417 185 H HN 0.288 nan 8.280 nan 0.000 0.472 186 V N 4.636 124.078 119.914 -0.787 0.000 2.547 186 V HA 0.407 4.528 4.120 0.001 0.000 0.299 186 V C -0.486 175.121 176.094 -0.812 0.000 1.040 186 V CA -0.662 61.175 62.300 -0.772 0.000 0.913 186 V CB 0.785 31.984 31.823 -1.041 0.000 0.992 186 V HN 0.557 nan 8.190 nan 0.000 0.449 187 F N 1.210 121.065 119.950 -0.159 0.000 2.577 187 F HA 0.733 5.261 4.527 0.001 0.000 0.318 187 F C 0.430 176.262 175.800 0.054 0.000 1.065 187 F CA -0.688 57.307 58.000 -0.008 0.000 0.929 187 F CB 2.407 41.469 39.000 0.103 0.000 1.237 187 F HN 0.522 nan 8.300 nan 0.000 0.468 188 T N -1.593 113.116 114.554 0.259 0.000 2.887 188 T HA 0.527 4.877 4.350 0.001 0.000 0.288 188 T C -0.917 173.909 174.700 0.210 0.000 1.021 188 T CA -0.773 61.444 62.100 0.194 0.000 1.000 188 T CB 1.800 70.735 68.868 0.112 0.000 1.034 188 T HN 0.575 nan 8.240 nan 0.000 0.467 189 E N 0.101 120.413 120.200 0.187 0.000 2.442 189 E HA -0.153 4.198 4.350 0.001 0.000 0.177 189 E C -0.975 175.741 176.600 0.193 0.000 1.505 189 E CA 0.080 56.577 56.400 0.162 0.000 0.662 189 E CB -1.441 28.330 29.700 0.119 0.000 1.117 189 E HN 0.760 nan 8.360 nan 0.000 0.375 190 L N 2.119 123.490 121.223 0.246 0.000 2.261 190 L HA 0.406 4.746 4.340 0.001 0.000 0.289 190 L C -2.329 174.705 176.870 0.273 0.000 1.059 190 L CA -1.483 53.510 54.840 0.256 0.000 0.816 190 L CB 0.865 43.085 42.059 0.268 0.000 1.191 190 L HN -0.117 nan 8.230 nan 0.000 0.431 191 P HA 0.041 nan 4.420 nan 0.000 0.271 191 P C 0.328 177.750 177.300 0.204 0.000 1.216 191 P CA -0.355 62.834 63.100 0.149 0.000 0.776 191 P CB 0.885 32.651 31.700 0.110 0.000 0.881 192 L N 3.671 124.975 121.223 0.135 0.000 2.109 192 L HA 0.107 4.447 4.340 0.001 0.000 0.207 192 L C 0.878 177.841 176.870 0.155 0.000 1.086 192 L CA 1.193 56.122 54.840 0.149 0.000 0.760 192 L CB -1.287 40.749 42.059 -0.037 0.000 0.910 192 L HN 0.350 nan 8.230 nan 0.000 0.437 193 A N -0.426 122.470 122.820 0.127 0.000 2.548 193 A HA 0.406 4.727 4.320 0.001 0.000 0.247 193 A C 1.503 179.155 177.584 0.114 0.000 1.067 193 A CA 0.467 52.580 52.037 0.127 0.000 0.757 193 A CB -1.001 18.055 19.000 0.093 0.000 0.996 193 A HN 1.140 nan 8.150 nan 0.000 0.504 194 G N 0.907 109.772 108.800 0.108 0.000 2.184 194 G HA2 -0.192 3.769 3.960 0.001 0.000 0.264 194 G HA3 -0.192 3.769 3.960 0.001 0.000 0.264 194 G C 0.256 175.205 174.900 0.083 0.000 0.975 194 G CA 0.442 45.592 45.100 0.082 0.000 0.642 194 G HN 1.524 nan 8.290 nan 0.000 0.536 195 L N 3.000 124.294 121.223 0.119 0.000 2.415 195 L HA 0.469 4.809 4.340 0.001 0.000 0.269 195 L C 0.611 177.553 176.870 0.119 0.000 1.244 195 L CA -0.568 54.340 54.840 0.113 0.000 1.113 195 L CB -0.407 41.760 42.059 0.179 0.000 1.352 195 L HN 0.375 nan 8.230 nan 0.000 0.433 196 D N 3.378 123.820 120.400 0.071 0.000 2.411 196 D HA 0.262 4.903 4.640 0.001 0.000 0.251 196 D C -1.893 174.446 176.300 0.065 0.000 1.201 196 D CA -2.106 51.928 54.000 0.057 0.000 0.996 196 D CB 0.036 40.855 40.800 0.032 0.000 1.101 196 D HN 0.138 nan 8.370 nan 0.000 0.504 197 P HA -0.204 nan 4.420 nan 0.000 0.216 197 P C 1.244 178.587 177.300 0.072 0.000 1.157 197 P CA 2.767 65.900 63.100 0.056 0.000 0.880 197 P CB -0.102 31.611 31.700 0.022 0.000 0.791 198 A N -1.242 121.597 122.820 0.031 0.000 1.902 198 A HA -0.168 4.152 4.320 0.001 0.000 0.217 198 A C 2.221 179.785 177.584 -0.034 0.000 1.181 198 A CA 2.386 54.426 52.037 0.004 0.000 0.623 198 A CB -1.802 17.197 19.000 -0.002 0.000 0.818 198 A HN 0.181 nan 8.150 nan 0.000 0.443 199 T N -0.943 113.579 114.554 -0.053 0.000 2.821 199 T HA -0.080 4.270 4.350 0.001 0.000 0.267 199 T C 1.597 176.164 174.700 -0.221 0.000 1.046 199 T CA 1.373 63.355 62.100 -0.196 0.000 1.139 199 T CB -0.359 68.386 68.868 -0.205 0.000 0.871 199 T HN 0.475 nan 8.240 nan 0.000 0.454 200 F N 2.312 122.151 119.950 -0.186 0.000 2.102 200 F HA -0.059 4.468 4.527 0.001 0.000 0.298 200 F C 2.378 178.085 175.800 -0.155 0.000 1.105 200 F CA 1.433 59.332 58.000 -0.168 0.000 1.239 200 F CB -0.227 38.710 39.000 -0.104 0.000 0.991 200 F HN -0.008 nan 8.300 nan 0.000 0.474 201 E N 0.165 120.322 120.200 -0.072 0.000 2.058 201 E HA -0.179 4.172 4.350 0.001 0.000 0.194 201 E C 2.145 178.618 176.600 -0.211 0.000 0.997 201 E CA 2.373 58.686 56.400 -0.144 0.000 0.801 201 E CB -0.855 28.829 29.700 -0.027 0.000 0.746 201 E HN 0.409 nan 8.360 nan 0.000 0.450 202 T N 0.053 114.497 114.554 -0.184 0.000 2.635 202 T HA -0.172 4.179 4.350 0.001 0.000 0.267 202 T C 1.953 176.542 174.700 -0.184 0.000 1.040 202 T CA 1.745 63.749 62.100 -0.160 0.000 1.156 202 T CB -0.578 68.200 68.868 -0.150 0.000 0.863 202 T HN 0.018 nan 8.240 nan 0.000 0.430 203 V N 1.769 121.486 119.914 -0.328 0.000 2.287 203 V HA -0.190 3.930 4.120 0.001 0.000 0.248 203 V C 2.553 178.508 176.094 -0.231 0.000 1.053 203 V CA 1.541 63.714 62.300 -0.212 0.000 1.027 203 V CB -0.555 31.068 31.823 -0.333 0.000 0.646 203 V HN 0.459 nan 8.190 nan 0.000 0.447 204 M N -0.374 118.954 119.600 -0.453 0.000 2.394 204 M HA 0.033 4.513 4.480 0.001 0.000 0.264 204 M C 1.966 178.125 176.300 -0.234 0.000 1.073 204 M CA 1.650 56.703 55.300 -0.412 0.000 1.111 204 M CB -1.287 30.957 32.600 -0.592 0.000 1.401 204 M HN 0.406 nan 8.290 nan 0.000 0.448 205 A N -0.565 122.148 122.820 -0.178 0.000 2.308 205 A HA 0.497 4.817 4.320 0.001 0.000 0.217 205 A C 2.151 179.706 177.584 -0.047 0.000 1.216 205 A CA 0.722 52.697 52.037 -0.104 0.000 0.864 205 A CB -0.457 18.490 19.000 -0.089 0.000 0.902 205 A HN 0.372 nan 8.150 nan 0.000 0.499 206 A N -0.594 122.210 122.820 -0.027 0.000 2.125 206 A HA 0.474 4.795 4.320 0.001 0.000 0.219 206 A C 1.204 178.800 177.584 0.021 0.000 1.156 206 A CA 1.487 53.549 52.037 0.041 0.000 0.671 206 A CB -0.329 18.764 19.000 0.155 0.000 0.794 206 A HN 1.340 nan 8.150 nan 0.000 0.459 207 A N -3.471 119.354 122.820 0.007 0.000 2.588 207 A HA 0.527 4.847 4.320 0.001 0.000 0.290 207 A C 0.264 177.901 177.584 0.088 0.000 1.136 207 A CA -0.028 52.045 52.037 0.059 0.000 0.681 207 A CB -0.424 18.614 19.000 0.064 0.000 1.282 207 A HN 0.400 nan 8.150 nan 0.000 0.421 208 Y N 0.991 121.295 120.300 0.008 0.000 2.151 208 Y HA 0.015 4.565 4.550 0.001 0.000 0.284 208 Y C 1.180 177.085 175.900 0.009 0.000 1.166 208 Y CA 2.538 60.641 58.100 0.005 0.000 1.163 208 Y CB 0.139 38.615 38.460 0.027 0.000 0.974 208 Y HN 0.733 nan 8.280 nan 0.000 0.511 209 S N -0.118 115.636 115.700 0.090 0.000 2.557 209 S HA 0.681 5.152 4.470 0.001 0.000 0.291 209 S C -1.759 172.856 174.600 0.025 0.000 1.116 209 S CA -0.649 57.547 58.200 -0.007 0.000 0.992 209 S CB 1.275 64.518 63.200 0.071 0.000 1.028 209 S HN -0.055 nan 8.310 nan 0.000 0.484 210 V N 3.813 123.699 119.914 -0.047 0.000 2.577 210 V HA 0.615 4.735 4.120 0.001 0.000 0.303 210 V C -0.341 175.674 176.094 -0.131 0.000 1.042 210 V CA -0.661 61.597 62.300 -0.070 0.000 0.872 210 V CB 1.964 33.706 31.823 -0.135 0.000 0.998 210 V HN 0.883 nan 8.190 nan 0.000 0.423 211 S N 4.966 120.578 115.700 -0.145 0.000 2.503 211 S HA 0.778 5.249 4.470 0.001 0.000 0.301 211 S C -0.571 173.757 174.600 -0.454 0.000 1.087 211 S CA -0.613 57.350 58.200 -0.394 0.000 1.042 211 S CB 1.498 64.302 63.200 -0.660 0.000 1.043 211 S HN 0.530 nan 8.310 nan 0.000 0.489 212 L N 2.570 123.451 121.223 -0.570 0.000 2.322 212 L HA 0.653 4.994 4.340 0.001 0.000 0.279 212 L C -1.230 175.222 176.870 -0.696 0.000 1.036 212 L CA -0.565 53.971 54.840 -0.506 0.000 0.807 212 L CB 0.651 42.318 42.059 -0.654 0.000 1.226 212 L HN 0.528 nan 8.230 nan 0.000 0.433 213 F N 0.086 119.979 119.950 -0.095 0.000 2.551 213 F HA 0.680 5.207 4.527 0.001 0.000 0.316 213 F C 0.320 176.097 175.800 -0.038 0.000 1.089 213 F CA -0.544 57.390 58.000 -0.110 0.000 0.915 213 F CB 2.400 41.298 39.000 -0.169 0.000 1.186 213 F HN 0.330 nan 8.300 nan 0.000 0.456 214 T N -0.073 114.472 114.554 -0.015 0.000 2.821 214 T HA 0.291 4.641 4.350 0.001 0.000 0.306 214 T C -0.554 173.985 174.700 -0.268 0.000 1.313 214 T CA -0.615 61.330 62.100 -0.257 0.000 1.012 214 T CB 1.313 69.712 68.868 -0.782 0.000 1.298 214 T HN 0.687 nan 8.240 nan 0.000 0.502 215 D N 0.220 120.510 120.400 -0.184 0.000 2.369 215 D HA 0.061 4.702 4.640 0.001 0.000 0.211 215 D C 0.501 176.874 176.300 0.122 0.000 1.077 215 D CA -0.098 53.897 54.000 -0.009 0.000 0.842 215 D CB -0.373 40.453 40.800 0.043 0.000 0.947 215 D HN 0.813 nan 8.370 nan 0.000 0.509 216 W N 0.524 121.844 121.300 0.034 0.000 4.435 216 W HA -0.282 4.378 4.660 0.000 0.000 0.351 216 W C 1.228 177.763 176.519 0.026 0.000 1.319 216 W CA -0.036 57.322 57.345 0.021 0.000 0.791 216 W CB -1.603 27.913 29.460 0.093 0.000 2.419 216 W HN 0.057 nan 8.180 nan 0.000 1.406 217 R N 0.181 120.780 120.500 0.165 0.000 1.806 217 R HA 0.542 4.883 4.340 0.001 0.000 0.156 217 R C 1.409 177.760 176.300 0.086 0.000 1.954 217 R CA 0.160 56.333 56.100 0.123 0.000 1.548 217 R CB -0.737 29.618 30.300 0.092 0.000 1.149 217 R HN 0.012 nan 8.270 nan 0.000 0.478 218 A N 2.788 125.637 122.820 0.048 0.000 2.520 218 A HA 0.203 4.523 4.320 0.001 0.000 0.235 218 A C -2.155 175.438 177.584 0.013 0.000 1.065 218 A CA -0.835 51.222 52.037 0.033 0.000 0.764 218 A CB -0.453 18.562 19.000 0.025 0.000 1.002 218 A HN 0.125 nan 8.150 nan 0.000 0.502 219 P HA 0.350 nan 4.420 nan 0.000 0.266 219 P C 0.824 178.075 177.300 -0.082 0.000 1.193 219 P CA 1.850 64.949 63.100 -0.002 0.000 0.770 219 P CB 0.338 32.053 31.700 0.024 0.000 0.836 220 G N 0.722 109.392 108.800 -0.217 0.000 2.660 220 G HA2 -0.134 3.827 3.960 0.001 0.000 0.215 220 G HA3 -0.134 3.827 3.960 0.001 0.000 0.215 220 G C -1.236 173.312 174.900 -0.587 0.000 1.345 220 G CA -0.881 44.017 45.100 -0.338 0.000 0.877 220 G HN 0.335 nan 8.290 nan 0.000 0.549 221 F N 0.803 120.707 119.950 -0.076 0.000 2.469 221 F HA 0.655 5.182 4.527 0.001 0.000 0.332 221 F C 1.735 177.524 175.800 -0.019 0.000 1.103 221 F CA -1.033 56.900 58.000 -0.111 0.000 0.979 221 F CB 1.833 40.786 39.000 -0.077 0.000 1.137 221 F HN 0.344 nan 8.300 nan 0.000 0.463 222 R N 0.929 121.511 120.500 0.136 0.000 2.073 222 R HA 0.049 4.389 4.340 0.001 0.000 0.229 222 R C -0.267 176.154 176.300 0.202 0.000 1.120 222 R CA 0.932 57.111 56.100 0.131 0.000 0.967 222 R CB -0.153 30.199 30.300 0.086 0.000 0.862 222 R HN 0.696 nan 8.270 nan 0.000 0.436 223 Q N -0.303 119.669 119.800 0.286 0.000 2.377 223 Q HA 0.477 4.817 4.340 0.001 0.000 0.279 223 Q C -1.543 174.701 176.000 0.406 0.000 1.049 223 Q CA -0.635 55.388 55.803 0.367 0.000 0.825 223 Q CB 3.498 32.520 28.738 0.473 0.000 1.401 223 Q HN -0.180 nan 8.270 nan 0.000 0.404 224 V N 0.928 121.086 119.914 0.407 0.000 2.531 224 V HA 0.480 4.600 4.120 0.001 0.000 0.301 224 V C -1.444 174.902 176.094 0.420 0.000 1.034 224 V CA -0.761 61.729 62.300 0.316 0.000 0.865 224 V CB 1.154 33.070 31.823 0.154 0.000 0.995 224 V HN 0.664 nan 8.190 nan 0.000 0.424 225 W N 5.062 126.357 121.300 -0.009 0.000 2.361 225 W HA 0.707 5.368 4.660 0.001 0.000 0.314 225 W C -0.844 175.642 176.519 -0.054 0.000 1.041 225 W CA -1.069 56.263 57.345 -0.021 0.000 1.241 225 W CB 1.367 30.820 29.460 -0.013 0.000 1.279 225 W HN 0.259 nan 8.180 nan 0.000 0.436 226 L N 4.379 125.677 121.223 0.125 0.000 2.265 226 L HA 0.345 4.686 4.340 0.001 0.000 0.289 226 L C 0.106 177.063 176.870 0.144 0.000 1.033 226 L CA -1.064 53.823 54.840 0.078 0.000 0.814 226 L CB 0.699 42.775 42.059 0.028 0.000 1.203 226 L HN 0.203 nan 8.230 nan 0.000 0.423 227 K N 4.580 125.078 120.400 0.165 0.000 2.292 227 K HA 0.418 4.738 4.320 0.001 0.000 0.270 227 K C -0.243 176.488 176.600 0.217 0.000 1.062 227 K CA -0.564 55.838 56.287 0.192 0.000 0.916 227 K CB 1.350 33.987 32.500 0.227 0.000 1.166 227 K HN 0.360 nan 8.250 nan 0.000 0.458 228 R N 3.484 124.100 120.500 0.195 0.000 2.514 228 R HA 0.307 4.648 4.340 0.001 0.000 0.301 228 R C -0.778 175.605 176.300 0.138 0.000 0.962 228 R CA -0.691 55.513 56.100 0.173 0.000 0.882 228 R CB 1.023 31.416 30.300 0.155 0.000 1.143 228 R HN 0.585 nan 8.270 nan 0.000 0.452 229 R N 1.649 122.196 120.500 0.078 0.000 2.347 229 R HA 0.054 4.395 4.340 0.001 0.000 0.304 229 R C 1.306 177.637 176.300 0.051 0.000 1.072 229 R CA 0.326 56.439 56.100 0.022 0.000 0.980 229 R CB 0.977 31.166 30.300 -0.185 0.000 0.986 229 R HN 0.784 nan 8.270 nan 0.000 0.448 230 T N -1.872 112.730 114.554 0.079 0.000 2.977 230 T HA -0.143 4.207 4.350 0.001 0.000 0.271 230 T C 0.976 175.703 174.700 0.044 0.000 1.105 230 T CA 1.229 63.370 62.100 0.068 0.000 1.116 230 T CB -0.158 68.754 68.868 0.074 0.000 0.878 230 T HN 0.650 nan 8.240 nan 0.000 0.509 231 D N 0.606 121.022 120.400 0.026 0.000 2.325 231 D HA 0.062 4.702 4.640 0.001 0.000 0.234 231 D C 0.511 176.805 176.300 -0.009 0.000 1.122 231 D CA -0.301 53.703 54.000 0.006 0.000 0.850 231 D CB -0.026 40.770 40.800 -0.007 0.000 0.921 231 D HN 0.280 nan 8.370 nan 0.000 0.513 232 R N 0.388 120.889 120.500 0.002 0.000 2.744 232 R HA 0.457 4.798 4.340 0.001 0.000 0.279 232 R C -2.844 173.468 176.300 0.020 0.000 0.977 232 R CA -2.003 54.101 56.100 0.007 0.000 0.906 232 R CB 0.715 31.022 30.300 0.012 0.000 1.197 232 R HN -0.046 nan 8.270 nan 0.000 0.463 233 P HA 0.007 nan 4.420 nan 0.000 0.265 233 P C -0.707 176.604 177.300 0.019 0.000 1.187 233 P CA -0.188 62.922 63.100 0.017 0.000 0.766 233 P CB 0.419 32.127 31.700 0.013 0.000 0.820 234 L N 3.563 124.792 121.223 0.010 0.000 2.372 234 L HA 0.420 4.761 4.340 0.001 0.000 0.273 234 L C -0.722 176.145 176.870 -0.004 0.000 0.989 234 L CA -0.497 54.340 54.840 -0.004 0.000 0.841 234 L CB 0.905 42.938 42.059 -0.045 0.000 1.225 234 L HN 0.142 nan 8.230 nan 0.000 0.414 235 D N 2.891 123.298 120.400 0.011 0.000 2.358 235 D HA 0.412 5.052 4.640 0.001 0.000 0.244 235 D C 0.432 176.742 176.300 0.017 0.000 1.163 235 D CA 0.290 54.297 54.000 0.012 0.000 0.945 235 D CB 1.005 41.815 40.800 0.017 0.000 1.152 235 D HN 0.751 nan 8.370 nan 0.000 0.451 236 G N -0.134 108.666 108.800 -0.001 0.000 2.474 236 G HA2 0.116 4.077 3.960 0.001 0.000 0.233 236 G HA3 0.116 4.077 3.960 0.001 0.000 0.233 236 G C -0.703 174.190 174.900 -0.011 0.000 1.278 236 G CA -0.167 44.931 45.100 -0.003 0.000 0.861 236 G HN 0.347 nan 8.290 nan 0.000 0.567 237 F N 4.605 124.430 119.950 -0.208 0.000 2.366 237 F HA 0.434 4.961 4.527 0.001 0.000 0.357 237 F C -1.368 174.152 175.800 -0.468 0.000 1.107 237 F CA -2.622 55.151 58.000 -0.380 0.000 1.208 237 F CB 2.051 40.661 39.000 -0.649 0.000 1.464 237 F HN 0.307 nan 8.300 nan 0.000 0.501 238 P HA -0.083 nan 4.420 nan 0.000 0.241 238 P C 0.689 177.548 177.300 -0.736 0.000 1.191 238 P CA 0.930 63.600 63.100 -0.717 0.000 0.771 238 P CB -0.146 31.148 31.700 -0.677 0.000 0.929 239 Y N 0.436 120.301 120.300 -0.725 0.000 2.516 239 Y HA 0.361 4.911 4.550 0.001 0.000 0.291 239 Y C 1.475 177.232 175.900 -0.237 0.000 1.131 239 Y CA 0.194 57.965 58.100 -0.549 0.000 1.281 239 Y CB -0.251 37.713 38.460 -0.827 0.000 1.013 239 Y HN -0.018 nan 8.280 nan 0.000 0.554 240 A N -0.609 122.210 122.820 -0.002 0.000 2.610 240 A HA 0.808 5.128 4.320 0.001 0.000 0.291 240 A C -1.156 176.627 177.584 0.332 0.000 1.086 240 A CA -0.599 51.570 52.037 0.221 0.000 0.677 240 A CB 0.175 19.399 19.000 0.373 0.000 1.278 240 A HN 0.085 nan 8.150 nan 0.000 0.414 241 A N 1.837 124.839 122.820 0.303 0.000 2.401 241 A HA 0.700 5.020 4.320 0.001 0.000 0.259 241 A C -2.419 175.370 177.584 0.341 0.000 1.103 241 A CA -1.387 50.815 52.037 0.274 0.000 0.789 241 A CB -0.457 18.636 19.000 0.156 0.000 1.035 241 A HN 0.511 nan 8.150 nan 0.000 0.491 242 P HA 0.213 nan 4.420 nan 0.000 0.268 242 P C -0.090 177.148 177.300 -0.104 0.000 1.205 242 P CA 0.197 63.246 63.100 -0.086 0.000 0.771 242 P CB 0.558 32.229 31.700 -0.049 0.000 0.858 243 A N 3.068 125.728 122.820 -0.267 0.000 2.511 243 A HA 0.358 4.679 4.320 0.001 0.000 0.242 243 A C 1.519 179.082 177.584 -0.035 0.000 1.069 243 A CA 0.364 52.289 52.037 -0.186 0.000 0.763 243 A CB -0.252 18.524 19.000 -0.374 0.000 1.001 243 A HN 0.594 nan 8.150 nan 0.000 0.498 244 A N 2.348 125.191 122.820 0.039 0.000 2.030 244 A HA 0.235 4.556 4.320 0.001 0.000 0.215 244 A C 0.767 178.483 177.584 0.219 0.000 1.164 244 A CA 0.908 53.015 52.037 0.116 0.000 0.697 244 A CB -0.045 18.987 19.000 0.054 0.000 0.827 244 A HN 0.854 nan 8.150 nan 0.000 0.457 245 E N -0.923 119.377 120.200 0.167 0.000 2.339 245 E HA 0.403 4.753 4.350 0.001 0.000 0.262 245 E C -0.895 175.767 176.600 0.104 0.000 0.934 245 E CA -1.011 55.529 56.400 0.232 0.000 0.802 245 E CB 1.275 31.028 29.700 0.087 0.000 1.275 245 E HN 0.184 nan 8.360 nan 0.000 0.427 246 K N 1.663 122.154 120.400 0.152 0.000 2.416 246 K HA 0.098 4.419 4.320 0.001 0.000 0.283 246 K C -0.632 175.889 176.600 -0.130 0.000 1.037 246 K CA 0.056 56.279 56.287 -0.106 0.000 0.995 246 K CB 0.390 32.910 32.500 0.033 0.000 0.938 246 K HN 0.326 nan 8.250 nan 0.000 0.475 247 M N 3.074 122.522 119.600 -0.253 0.000 2.537 247 M HA 0.215 4.695 4.480 0.001 0.000 0.324 247 M C -0.185 176.141 176.300 0.043 0.000 1.187 247 M CA -0.629 54.604 55.300 -0.111 0.000 0.993 247 M CB 1.338 33.835 32.600 -0.172 0.000 1.666 247 M HN 0.594 nan 8.290 nan 0.000 0.461 248 H N 2.669 121.742 119.070 0.004 0.000 2.469 248 H HA 0.357 4.913 4.556 0.001 0.000 0.342 248 H C -2.116 173.129 175.328 -0.139 0.000 1.115 248 H CA -1.686 54.356 56.048 -0.009 0.000 1.204 248 H CB 2.152 31.904 29.762 -0.018 0.000 1.492 248 H HN 0.255 nan 8.280 nan 0.000 0.499 249 P HA -0.150 nan 4.420 nan 0.000 0.217 249 P C 0.048 177.171 177.300 -0.296 0.000 1.148 249 P CA 0.905 63.415 63.100 -0.984 0.000 0.828 249 P CB 0.281 30.869 31.700 -1.852 0.000 0.783 250 V N 1.155 121.193 119.914 0.206 0.000 2.364 250 V HA 0.222 4.342 4.120 0.001 0.000 0.272 250 V C -2.210 173.887 176.094 0.005 0.000 1.036 250 V CA -2.161 60.196 62.300 0.095 0.000 0.880 250 V CB 0.813 32.684 31.823 0.080 0.000 0.991 250 V HN -0.073 nan 8.190 nan 0.000 0.460 251 P HA 0.205 nan 4.420 nan 0.000 0.263 251 P C 0.980 178.262 177.300 -0.030 0.000 1.195 251 P CA 1.228 64.329 63.100 0.001 0.000 0.762 251 P CB 0.585 32.298 31.700 0.021 0.000 0.799 252 G N 1.734 110.508 108.800 -0.043 0.000 2.175 252 G HA2 -0.195 3.765 3.960 0.001 0.000 0.244 252 G HA3 -0.195 3.765 3.960 0.001 0.000 0.244 252 G C 0.068 174.898 174.900 -0.116 0.000 0.982 252 G CA -0.393 44.674 45.100 -0.055 0.000 0.641 252 G HN 0.380 nan 8.290 nan 0.000 0.527 253 M N 0.279 119.728 119.600 -0.253 0.000 2.598 253 M HA 0.467 4.948 4.480 0.001 0.000 0.317 253 M C -2.512 173.614 176.300 -0.289 0.000 1.201 253 M CA -2.744 52.298 55.300 -0.430 0.000 0.971 253 M CB 0.639 32.633 32.600 -1.010 0.000 1.657 253 M HN -0.121 nan 8.290 nan 0.000 0.470 254 P HA 0.223 nan 4.420 nan 0.000 0.275 254 P C 0.043 177.440 177.300 0.162 0.000 1.276 254 P CA -0.021 63.099 63.100 0.033 0.000 0.782 254 P CB 0.215 31.949 31.700 0.055 0.000 0.851 255 A N 3.804 126.702 122.820 0.130 0.000 2.067 255 A HA -0.131 4.190 4.320 0.001 0.000 0.219 255 A C 2.073 179.698 177.584 0.069 0.000 1.158 255 A CA 1.261 53.372 52.037 0.123 0.000 0.661 255 A CB -1.265 17.771 19.000 0.060 0.000 0.801 255 A HN 0.428 nan 8.150 nan 0.000 0.452 256 V N 1.173 121.128 119.914 0.068 0.000 2.380 256 V HA -0.308 3.813 4.120 0.001 0.000 0.251 256 V C 1.946 178.080 176.094 0.067 0.000 1.063 256 V CA 2.654 64.990 62.300 0.060 0.000 1.055 256 V CB -0.862 31.001 31.823 0.066 0.000 0.657 256 V HN 0.646 nan 8.190 nan 0.000 0.455 257 N N -0.520 118.220 118.700 0.067 0.000 2.348 257 N HA -0.089 4.651 4.740 0.001 0.000 0.185 257 N C 0.656 176.185 175.510 0.031 0.000 1.019 257 N CA 1.164 54.211 53.050 -0.006 0.000 0.880 257 N CB -0.752 37.531 38.487 -0.340 0.000 0.965 257 N HN 0.501 nan 8.380 nan 0.000 0.437 258 C N 0.893 120.191 119.300 -0.004 0.000 2.382 258 C HA 0.353 4.814 4.460 0.001 0.000 0.363 258 C C 1.130 176.085 174.990 -0.058 0.000 1.213 258 C CA -1.078 57.887 59.018 -0.088 0.000 2.363 258 C CB 1.003 28.668 27.740 -0.125 0.000 2.397 258 C HN 0.419 nan 8.230 nan 0.000 0.573 259 T N -0.384 114.127 114.554 -0.071 0.000 2.855 259 T HA 0.114 4.465 4.350 0.001 0.000 0.314 259 T C -0.219 174.406 174.700 -0.125 0.000 1.077 259 T CA -0.241 61.815 62.100 -0.075 0.000 1.095 259 T CB 0.378 69.208 68.868 -0.063 0.000 0.987 259 T HN 0.806 nan 8.240 nan 0.000 0.546 260 E N 1.273 121.396 120.200 -0.128 0.000 2.360 260 E HA 0.167 4.517 4.350 0.001 0.000 0.269 260 E C 0.114 176.582 176.600 -0.220 0.000 1.022 260 E CA -0.336 55.982 56.400 -0.136 0.000 0.887 260 E CB 0.543 30.183 29.700 -0.099 0.000 0.990 260 E HN 0.689 nan 8.360 nan 0.000 0.426 261 Q N 2.086 121.721 119.800 -0.275 0.000 3.184 261 Q HA 0.372 4.712 4.340 0.001 0.000 0.236 261 Q C -0.570 175.216 176.000 -0.357 0.000 1.038 261 Q CA -0.807 54.690 55.803 -0.509 0.000 0.857 261 Q CB 0.586 28.803 28.738 -0.868 0.000 1.957 261 Q HN 0.683 nan 8.270 nan 0.000 0.453 262 F N 0.103 119.816 119.950 -0.394 0.000 3.084 262 F HA -0.217 4.310 4.527 0.001 0.000 0.286 262 F C 0.952 176.503 175.800 -0.415 0.000 0.855 262 F CA 1.050 58.838 58.000 -0.352 0.000 1.091 262 F CB -2.167 36.690 39.000 -0.239 0.000 1.177 262 F HN 0.810 nan 8.300 nan 0.000 0.542 263 G N -0.965 107.482 108.800 -0.588 0.000 2.153 263 G HA2 -0.213 3.747 3.960 0.001 0.000 0.252 263 G HA3 -0.213 3.747 3.960 0.001 0.000 0.252 263 G C 0.035 174.773 174.900 -0.271 0.000 0.994 263 G CA -0.025 44.609 45.100 -0.776 0.000 0.698 263 G HN 0.715 nan 8.290 nan 0.000 0.521 264 V N 2.045 121.854 119.914 -0.175 0.000 2.439 264 V HA 0.298 4.418 4.120 0.001 0.000 0.271 264 V C -1.265 174.778 176.094 -0.085 0.000 1.040 264 V CA -1.058 61.187 62.300 -0.091 0.000 1.002 264 V CB 1.055 32.841 31.823 -0.061 0.000 1.000 264 V HN 0.163 nan 8.190 nan 0.000 0.477 265 P HA 0.425 nan 4.420 nan 0.000 0.271 265 P C 0.174 177.449 177.300 -0.041 0.000 1.216 265 P CA 0.337 63.421 63.100 -0.026 0.000 0.776 265 P CB 0.887 32.589 31.700 0.004 0.000 0.881 266 G N 2.250 111.020 108.800 -0.050 0.000 2.608 266 G HA2 0.530 4.490 3.960 0.001 0.000 0.291 266 G HA3 0.530 4.490 3.960 0.001 0.000 0.291 266 G C -3.296 171.536 174.900 -0.114 0.000 1.425 266 G CA -1.276 43.768 45.100 -0.093 0.000 0.787 266 G HN 0.185 nan 8.290 nan 0.000 0.484 267 P HA 0.025 nan 4.420 nan 0.000 0.269 267 P C 1.301 178.373 177.300 -0.380 0.000 1.209 267 P CA -0.366 62.576 63.100 -0.264 0.000 0.776 267 P CB 0.585 31.950 31.700 -0.559 0.000 0.876 268 W N 4.935 126.038 121.300 -0.328 0.000 2.275 268 W HA -0.267 4.393 4.660 0.001 0.000 0.321 268 W C 1.334 177.736 176.519 -0.196 0.000 1.269 268 W CA 2.211 59.309 57.345 -0.412 0.000 1.274 268 W CB -2.434 26.387 29.460 -1.066 0.000 1.141 268 W HN 0.531 nan 8.180 nan 0.000 0.493 269 H N 0.232 118.400 119.070 -1.504 0.000 2.551 269 H HA 0.218 4.775 4.556 0.001 0.000 0.266 269 H C 0.709 175.660 175.328 -0.628 0.000 0.977 269 H CA 1.042 56.346 56.048 -1.240 0.000 1.163 269 H CB -0.815 27.834 29.762 -1.855 0.000 1.381 269 H HN 0.352 nan 8.280 nan 0.000 0.581 270 E N 0.374 120.045 120.200 -0.881 0.000 2.501 270 E HA 0.158 4.509 4.350 0.001 0.000 0.201 270 E C 1.103 177.520 176.600 -0.305 0.000 1.016 270 E CA -0.233 55.825 56.400 -0.571 0.000 0.920 270 E CB 0.702 30.033 29.700 -0.614 0.000 1.023 270 E HN 0.213 nan 8.360 nan 0.000 0.474 271 R N -0.531 119.831 120.500 -0.230 0.000 2.561 271 R HA 0.215 4.556 4.340 0.001 0.000 0.213 271 R C 1.983 178.288 176.300 0.007 0.000 0.885 271 R CA 0.052 56.101 56.100 -0.085 0.000 1.002 271 R CB -0.012 30.261 30.300 -0.045 0.000 1.432 271 R HN 0.118 nan 8.270 nan 0.000 0.651 272 L N 1.598 122.828 121.223 0.012 0.000 2.017 272 L HA -0.032 4.308 4.340 0.001 0.000 0.208 272 L C -1.285 175.546 176.870 -0.065 0.000 1.073 272 L CA 1.115 55.990 54.840 0.058 0.000 0.745 272 L CB -1.381 40.768 42.059 0.151 0.000 0.894 272 L HN 0.001 nan 8.230 nan 0.000 0.432 273 P HA 0.016 nan 4.420 nan 0.000 0.274 273 P C -0.198 176.993 177.300 -0.181 0.000 1.237 273 P CA 0.337 63.306 63.100 -0.219 0.000 0.793 273 P CB 0.339 31.950 31.700 -0.148 0.000 0.977 274 H N -0.621 118.262 119.070 -0.311 0.000 2.544 274 H HA 0.165 4.721 4.556 0.001 0.000 0.269 274 H C -0.088 174.731 175.328 -0.847 0.000 0.970 274 H CA 0.218 55.893 56.048 -0.623 0.000 1.219 274 H CB -0.090 28.985 29.762 -1.144 0.000 1.421 274 H HN 0.304 nan 8.280 nan 0.000 0.555 275 F N 1.481 121.423 119.950 -0.012 0.000 2.507 275 F HA 0.307 4.834 4.527 0.001 0.000 0.325 275 F C 0.361 176.171 175.800 0.018 0.000 1.116 275 F CA -1.463 56.522 58.000 -0.026 0.000 0.930 275 F CB 1.192 40.220 39.000 0.046 0.000 1.146 275 F HN -0.016 nan 8.300 nan 0.000 0.447 276 R N 1.358 121.977 120.500 0.199 0.000 2.679 276 R HA 0.634 4.974 4.340 0.001 0.000 0.269 276 R C 0.793 177.217 176.300 0.207 0.000 1.076 276 R CA -0.014 56.160 56.100 0.122 0.000 1.160 276 R CB 0.564 30.913 30.300 0.082 0.000 1.054 276 R HN 0.759 nan 8.270 nan 0.000 0.507 277 A N 1.969 124.856 122.820 0.112 0.000 1.986 277 A HA -0.227 4.093 4.320 0.001 0.000 0.220 277 A C 1.763 179.531 177.584 0.307 0.000 1.171 277 A CA 1.853 53.996 52.037 0.177 0.000 0.640 277 A CB -0.550 18.499 19.000 0.082 0.000 0.811 277 A HN 0.921 nan 8.150 nan 0.000 0.451 278 E N -1.276 119.051 120.200 0.212 0.000 2.204 278 E HA -0.049 4.302 4.350 0.001 0.000 0.195 278 E C 0.446 177.186 176.600 0.233 0.000 0.990 278 E CA 0.375 56.883 56.400 0.181 0.000 0.821 278 E CB -0.241 29.541 29.700 0.138 0.000 0.750 278 E HN 0.623 nan 8.360 nan 0.000 0.477 279 F N 2.022 122.073 119.950 0.169 0.000 2.462 279 F HA 0.118 4.646 4.527 0.001 0.000 0.360 279 F C -0.030 175.870 175.800 0.167 0.000 1.134 279 F CA -0.108 57.989 58.000 0.161 0.000 1.148 279 F CB 0.411 39.527 39.000 0.194 0.000 1.147 279 F HN -0.221 nan 8.300 nan 0.000 0.550 280 T N 5.261 119.602 114.554 -0.355 0.000 3.466 280 T HA 0.371 4.721 4.350 0.001 0.000 0.297 280 T C -2.623 171.859 174.700 -0.363 0.000 1.640 280 T CA -1.499 60.361 62.100 -0.400 0.000 1.631 280 T CB -0.076 68.575 68.868 -0.361 0.000 0.928 280 T HN 0.414 nan 8.240 nan 0.000 0.688 281 P HA 0.208 nan 4.420 nan 0.000 0.271 281 P C 0.986 178.351 177.300 0.108 0.000 1.220 281 P CA -0.258 62.720 63.100 -0.203 0.000 0.768 281 P CB 1.437 33.045 31.700 -0.153 0.000 0.848 282 S N 1.147 116.849 115.700 0.003 0.000 2.527 282 S HA 0.085 4.555 4.470 0.001 0.000 0.222 282 S C 0.781 175.262 174.600 -0.197 0.000 0.985 282 S CA 0.339 58.549 58.200 0.017 0.000 0.921 282 S CB -0.441 62.731 63.200 -0.047 0.000 0.772 282 S HN 0.726 nan 8.310 nan 0.000 0.529 283 S N -1.283 114.113 115.700 -0.506 0.000 2.615 283 S HA 0.776 5.246 4.470 0.001 0.000 0.269 283 S C -0.587 173.243 174.600 -1.284 0.000 1.161 283 S CA -0.491 56.958 58.200 -1.251 0.000 0.817 283 S CB 1.123 63.922 63.200 -0.669 0.000 1.131 283 S HN 0.741 nan 8.310 nan 0.000 0.467 284 G N -0.644 107.171 108.800 -1.641 0.000 2.620 284 G HA2 0.713 4.673 3.960 0.001 0.000 0.301 284 G HA3 0.713 4.673 3.960 0.001 0.000 0.301 284 G C -0.598 174.110 174.900 -0.320 0.000 1.347 284 G CA -0.476 44.157 45.100 -0.780 0.000 0.971 284 G HN 1.394 nan 8.290 nan 0.000 0.488 285 A N 1.531 124.304 122.820 -0.078 0.000 3.157 285 A HA 0.641 4.962 4.320 0.001 0.000 0.276 285 A C 0.308 177.962 177.584 0.116 0.000 1.524 285 A CA -0.295 51.744 52.037 0.004 0.000 1.236 285 A CB -0.590 18.415 19.000 0.008 0.000 1.173 285 A HN 0.797 nan 8.150 nan 0.000 0.595 286 E N 0.621 120.938 120.200 0.196 0.000 2.430 286 E HA 0.728 5.078 4.350 0.001 0.000 0.279 286 E C -1.749 175.075 176.600 0.374 0.000 1.003 286 E CA -0.929 55.643 56.400 0.286 0.000 0.801 286 E CB 1.116 31.014 29.700 0.331 0.000 1.313 286 E HN 0.226 nan 8.360 nan 0.000 0.459 287 L N 0.381 121.791 121.223 0.311 0.000 2.303 287 L HA 0.545 4.886 4.340 0.001 0.000 0.266 287 L C -0.326 176.508 176.870 -0.061 0.000 1.011 287 L CA -0.957 54.025 54.840 0.236 0.000 0.818 287 L CB 2.094 44.368 42.059 0.359 0.000 1.326 287 L HN 0.553 nan 8.230 nan 0.000 0.435 288 Q N 0.248 119.747 119.800 -0.502 0.000 2.359 288 Q HA 0.594 4.934 4.340 0.001 0.000 0.274 288 Q C -1.569 174.318 176.000 -0.188 0.000 1.074 288 Q CA -0.600 54.881 55.803 -0.537 0.000 0.810 288 Q CB 2.865 31.118 28.738 -0.809 0.000 1.342 288 Q HN 0.584 nan 8.270 nan 0.000 0.427 289 S N 0.988 116.556 115.700 -0.221 0.000 2.570 289 S HA 0.603 5.074 4.470 0.001 0.000 0.286 289 S C -1.382 173.117 174.600 -0.168 0.000 1.099 289 S CA -0.744 57.468 58.200 0.020 0.000 0.913 289 S CB 2.216 65.690 63.200 0.456 0.000 1.085 289 S HN 0.588 nan 8.310 nan 0.000 0.480 290 E N 0.717 120.787 120.200 -0.217 0.000 2.335 290 E HA 0.439 4.789 4.350 0.001 0.000 0.280 290 E C -2.124 174.242 176.600 -0.390 0.000 0.918 290 E CA -0.473 55.877 56.400 -0.083 0.000 0.765 290 E CB 1.235 31.063 29.700 0.213 0.000 1.218 290 E HN 0.620 nan 8.360 nan 0.000 0.425 291 Y N 2.736 123.176 120.300 0.235 0.000 2.350 291 Y HA 0.455 5.005 4.550 0.001 0.000 0.338 291 Y C -0.609 175.351 175.900 0.100 0.000 0.961 291 Y CA -0.823 57.364 58.100 0.146 0.000 1.100 291 Y CB 1.380 39.938 38.460 0.164 0.000 1.179 291 Y HN 0.352 nan 8.280 nan 0.000 0.454 292 L N 4.787 126.085 121.223 0.125 0.000 2.305 292 L HA 0.640 4.981 4.340 0.001 0.000 0.284 292 L C -0.469 176.428 176.870 0.045 0.000 1.013 292 L CA -0.177 54.688 54.840 0.041 0.000 0.819 292 L CB 1.225 43.256 42.059 -0.047 0.000 1.227 292 L HN 0.637 nan 8.230 nan 0.000 0.417 293 M N 3.647 123.280 119.600 0.056 0.000 2.644 293 M HA 0.558 5.038 4.480 0.001 0.000 0.304 293 M C -2.459 173.865 176.300 0.041 0.000 1.215 293 M CA -1.835 53.518 55.300 0.089 0.000 0.871 293 M CB 2.533 35.219 32.600 0.144 0.000 1.740 293 M HN 0.210 nan 8.290 nan 0.000 0.464 294 P HA 0.042 nan 4.420 nan 0.000 0.265 294 P C -0.130 177.113 177.300 -0.095 0.000 1.193 294 P CA 0.248 63.314 63.100 -0.056 0.000 0.765 294 P CB 0.470 32.094 31.700 -0.127 0.000 0.823 295 R N 3.460 123.906 120.500 -0.090 0.000 2.127 295 R HA -0.174 4.167 4.340 0.001 0.000 0.238 295 R C 1.854 178.102 176.300 -0.088 0.000 1.134 295 R CA 1.365 57.434 56.100 -0.053 0.000 0.975 295 R CB -0.093 30.192 30.300 -0.025 0.000 0.865 295 R HN 0.573 nan 8.270 nan 0.000 0.447 296 E N -0.546 119.543 120.200 -0.186 0.000 2.268 296 E HA -0.209 4.142 4.350 0.001 0.000 0.195 296 E C 0.629 177.098 176.600 -0.218 0.000 0.995 296 E CA 1.414 57.687 56.400 -0.211 0.000 0.836 296 E CB -0.423 29.123 29.700 -0.257 0.000 0.763 296 E HN 0.648 nan 8.360 nan 0.000 0.491 297 H N 0.321 119.333 119.070 -0.097 0.000 2.533 297 H HA 0.326 4.882 4.556 0.001 0.000 0.271 297 H C 1.954 177.054 175.328 -0.380 0.000 1.000 297 H CA 0.128 56.043 56.048 -0.222 0.000 1.149 297 H CB 0.424 30.089 29.762 -0.162 0.000 1.375 297 H HN 0.338 nan 8.280 nan 0.000 0.582 298 A N 1.083 123.769 122.820 -0.224 0.000 1.883 298 A HA -0.155 4.166 4.320 0.001 0.000 0.217 298 A C 2.191 179.489 177.584 -0.477 0.000 1.186 298 A CA 1.128 52.953 52.037 -0.353 0.000 0.624 298 A CB -0.599 18.142 19.000 -0.433 0.000 0.822 298 A HN 0.397 nan 8.150 nan 0.000 0.444 299 L N -0.982 119.945 121.223 -0.495 0.000 2.056 299 L HA -0.186 4.155 4.340 0.001 0.000 0.207 299 L C 3.139 179.953 176.870 -0.093 0.000 1.078 299 L CA 1.086 55.739 54.840 -0.311 0.000 0.749 299 L CB -0.540 41.403 42.059 -0.195 0.000 0.901 299 L HN 0.476 nan 8.230 nan 0.000 0.433 300 A N -0.097 122.610 122.820 -0.188 0.000 1.908 300 A HA -0.236 4.085 4.320 0.001 0.000 0.218 300 A C 2.465 179.820 177.584 -0.382 0.000 1.181 300 A CA 1.891 53.804 52.037 -0.206 0.000 0.627 300 A CB -0.703 18.161 19.000 -0.227 0.000 0.818 300 A HN 0.460 nan 8.150 nan 0.000 0.445 301 A N -0.380 122.000 122.820 -0.732 0.000 1.902 301 A HA -0.010 4.310 4.320 0.001 0.000 0.217 301 A C 2.176 179.685 177.584 -0.124 0.000 1.181 301 A CA 1.455 53.180 52.037 -0.519 0.000 0.623 301 A CB -0.586 18.144 19.000 -0.449 0.000 0.818 301 A HN 0.476 nan 8.150 nan 0.000 0.443 302 L N -1.371 119.801 121.223 -0.084 0.000 2.046 302 L HA -0.194 4.147 4.340 0.001 0.000 0.208 302 L C 2.631 179.471 176.870 -0.049 0.000 1.077 302 L CA 1.331 56.209 54.840 0.064 0.000 0.747 302 L CB -0.787 41.332 42.059 0.101 0.000 0.896 302 L HN 0.475 nan 8.230 nan 0.000 0.432 303 H N -0.367 118.703 119.070 -0.000 0.000 2.421 303 H HA -0.065 4.491 4.556 0.001 0.000 0.298 303 H C 2.259 177.567 175.328 -0.034 0.000 1.087 303 H CA 1.332 57.378 56.048 -0.003 0.000 1.330 303 H CB 0.096 29.855 29.762 -0.005 0.000 1.388 303 H HN 0.374 nan 8.280 nan 0.000 0.526 304 A N 1.072 123.932 122.820 0.067 0.000 1.902 304 A HA -0.163 4.157 4.320 0.001 0.000 0.217 304 A C 2.615 180.131 177.584 -0.113 0.000 1.181 304 A CA 1.373 53.433 52.037 0.039 0.000 0.623 304 A CB -0.559 18.549 19.000 0.180 0.000 0.818 304 A HN 0.248 nan 8.150 nan 0.000 0.443 305 M N -0.741 118.717 119.600 -0.236 0.000 2.086 305 M HA -0.175 4.305 4.480 0.001 0.000 0.261 305 M C 2.024 177.863 176.300 -0.768 0.000 1.067 305 M CA 2.145 57.088 55.300 -0.595 0.000 1.116 305 M CB -0.695 31.398 32.600 -0.846 0.000 1.348 305 M HN 0.571 nan 8.290 nan 0.000 0.407 306 D N 0.562 120.605 120.400 -0.596 0.000 2.116 306 D HA -0.186 4.454 4.640 0.001 0.000 0.193 306 D C 1.801 178.026 176.300 -0.124 0.000 0.998 306 D CA 1.986 55.843 54.000 -0.239 0.000 0.836 306 D CB 0.044 40.839 40.800 -0.009 0.000 0.951 306 D HN 0.324 nan 8.370 nan 0.000 0.449 307 A N 0.118 122.884 122.820 -0.090 0.000 2.121 307 A HA 0.025 4.345 4.320 0.001 0.000 0.218 307 A C 2.084 179.626 177.584 -0.069 0.000 1.154 307 A CA 1.101 53.113 52.037 -0.041 0.000 0.679 307 A CB -0.822 18.174 19.000 -0.006 0.000 0.795 307 A HN 0.609 nan 8.150 nan 0.000 0.458 308 I N -2.980 117.511 120.570 -0.132 0.000 3.877 308 I HA 0.217 4.387 4.170 0.001 0.000 0.332 308 I C 1.510 177.549 176.117 -0.129 0.000 1.525 308 I CA -0.073 61.154 61.300 -0.121 0.000 1.146 308 I CB 0.037 37.960 38.000 -0.128 0.000 1.137 308 I HN 0.284 nan 8.210 nan 0.000 0.424 309 R N 1.084 121.512 120.500 -0.119 0.000 2.148 309 R HA -0.065 4.275 4.340 0.001 0.000 0.227 309 R C 1.113 177.444 176.300 0.052 0.000 1.103 309 R CA 1.396 57.462 56.100 -0.058 0.000 0.983 309 R CB -0.598 29.755 30.300 0.088 0.000 0.874 309 R HN 0.461 nan 8.270 nan 0.000 0.451 310 E N 0.557 120.777 120.200 0.034 0.000 2.265 310 E HA -0.103 4.247 4.350 0.001 0.000 0.196 310 E C 1.340 177.962 176.600 0.036 0.000 0.996 310 E CA 1.707 58.134 56.400 0.045 0.000 0.832 310 E CB 0.085 29.802 29.700 0.028 0.000 0.756 310 E HN 0.409 nan 8.360 nan 0.000 0.491 311 T N 0.591 115.150 114.554 0.009 0.000 2.894 311 T HA 0.026 4.376 4.350 0.001 0.000 0.258 311 T C 1.856 176.574 174.700 0.031 0.000 1.043 311 T CA 0.448 62.545 62.100 -0.004 0.000 1.141 311 T CB 0.016 68.857 68.868 -0.045 0.000 0.873 311 T HN 0.064 nan 8.240 nan 0.000 0.449 312 L N 0.997 122.256 121.223 0.061 0.000 2.027 312 L HA -0.003 4.338 4.340 0.001 0.000 0.206 312 L C 3.110 180.168 176.870 0.313 0.000 1.074 312 L CA 1.201 56.161 54.840 0.200 0.000 0.745 312 L CB -0.776 41.368 42.059 0.141 0.000 0.898 312 L HN 0.214 nan 8.230 nan 0.000 0.433 313 A N 0.668 123.646 122.820 0.263 0.000 1.883 313 A HA -0.142 4.179 4.320 0.001 0.000 0.217 313 A C 0.020 177.737 177.584 0.221 0.000 1.186 313 A CA 1.846 54.048 52.037 0.274 0.000 0.624 313 A CB -1.900 17.235 19.000 0.226 0.000 0.822 313 A HN 0.297 nan 8.150 nan 0.000 0.444 314 P HA -0.077 nan 4.420 nan 0.000 0.222 314 P C 1.045 178.430 177.300 0.142 0.000 1.147 314 P CA 1.643 64.816 63.100 0.123 0.000 0.790 314 P CB -0.127 31.619 31.700 0.077 0.000 0.780 315 V N -5.158 114.871 119.914 0.191 0.000 3.483 315 V HA 0.284 4.405 4.120 0.001 0.000 0.301 315 V C 0.354 176.713 176.094 0.441 0.000 1.389 315 V CA -0.438 61.993 62.300 0.219 0.000 1.101 315 V CB -0.605 31.257 31.823 0.065 0.000 0.971 315 V HN -0.122 nan 8.190 nan 0.000 0.434 316 L N 1.017 122.496 121.223 0.427 0.000 2.307 316 L HA 0.517 4.857 4.340 0.001 0.000 0.284 316 L C 1.067 178.100 176.870 0.272 0.000 1.023 316 L CA 0.401 55.506 54.840 0.442 0.000 0.810 316 L CB 1.920 44.254 42.059 0.459 0.000 1.231 316 L HN 0.158 nan 8.230 nan 0.000 0.423 317 Q N 1.563 121.498 119.800 0.225 0.000 2.084 317 Q HA 0.168 4.508 4.340 0.001 0.000 0.194 317 Q C -0.088 175.989 176.000 0.128 0.000 0.969 317 Q CA 0.784 56.682 55.803 0.159 0.000 0.829 317 Q CB 0.392 29.224 28.738 0.157 0.000 0.904 317 Q HN 0.700 nan 8.270 nan 0.000 0.464 318 T N -0.956 113.667 114.554 0.115 0.000 2.889 318 T HA 0.297 4.647 4.350 0.001 0.000 0.315 318 T C -2.019 172.700 174.700 0.031 0.000 1.291 318 T CA -0.620 61.535 62.100 0.092 0.000 1.028 318 T CB 1.653 70.586 68.868 0.108 0.000 1.235 318 T HN 0.310 nan 8.240 nan 0.000 0.491 319 C N 3.764 123.038 119.300 -0.044 0.000 2.303 319 C HA 0.800 5.260 4.460 0.001 0.000 0.326 319 C C -0.162 174.726 174.990 -0.170 0.000 1.285 319 C CA -0.347 58.516 59.018 -0.260 0.000 1.675 319 C CB -0.118 27.416 27.740 -0.343 0.000 2.289 319 C HN 0.990 nan 8.230 nan 0.000 0.512 320 E N 5.708 125.783 120.200 -0.209 0.000 2.176 320 E HA 0.550 4.900 4.350 0.001 0.000 0.267 320 E C -1.027 175.389 176.600 -0.307 0.000 0.893 320 E CA -0.581 55.572 56.400 -0.411 0.000 0.761 320 E CB 0.913 30.386 29.700 -0.379 0.000 1.133 320 E HN 0.681 nan 8.360 nan 0.000 0.409 321 I N 4.547 124.900 120.570 -0.362 0.000 2.354 321 I HA 0.465 4.636 4.170 0.001 0.000 0.292 321 I C 0.316 176.304 176.117 -0.215 0.000 0.989 321 I CA -0.440 60.746 61.300 -0.189 0.000 1.188 321 I CB 1.005 38.933 38.000 -0.120 0.000 1.342 321 I HN 0.634 nan 8.210 nan 0.000 0.457 322 R N 2.848 123.286 120.500 -0.104 0.000 2.869 322 R HA 0.768 5.108 4.340 0.001 0.000 0.263 322 R C -0.551 175.708 176.300 -0.069 0.000 1.066 322 R CA -0.779 55.266 56.100 -0.093 0.000 0.960 322 R CB 2.577 32.869 30.300 -0.012 0.000 1.221 322 R HN 0.721 nan 8.270 nan 0.000 0.474 323 T N -1.966 112.537 114.554 -0.085 0.000 2.907 323 T HA 0.729 5.080 4.350 0.001 0.000 0.292 323 T C -0.757 173.881 174.700 -0.102 0.000 1.043 323 T CA -0.727 61.319 62.100 -0.092 0.000 1.003 323 T CB 1.765 70.570 68.868 -0.105 0.000 1.084 323 T HN 0.196 nan 8.240 nan 0.000 0.483 324 V N 0.818 120.664 119.914 -0.114 0.000 2.733 324 V HA 0.744 4.864 4.120 0.001 0.000 0.306 324 V C 0.423 176.465 176.094 -0.086 0.000 1.084 324 V CA -1.265 60.972 62.300 -0.105 0.000 0.905 324 V CB 1.504 33.233 31.823 -0.158 0.000 1.010 324 V HN 1.404 nan 8.190 nan 0.000 0.424 325 A N 2.998 125.774 122.820 -0.073 0.000 2.445 325 A HA 0.733 5.054 4.320 0.001 0.000 0.242 325 A C 0.884 178.436 177.584 -0.053 0.000 1.075 325 A CA 0.428 52.428 52.037 -0.063 0.000 0.777 325 A CB 0.312 19.279 19.000 -0.056 0.000 1.013 325 A HN 1.840 nan 8.150 nan 0.000 0.493 326 A N 1.729 124.512 122.820 -0.062 0.000 2.587 326 A HA 0.291 4.611 4.320 0.001 0.000 0.235 326 A C 0.290 177.848 177.584 -0.045 0.000 1.044 326 A CA 0.385 52.376 52.037 -0.076 0.000 0.754 326 A CB -0.105 18.830 19.000 -0.109 0.000 0.968 326 A HN 0.837 nan 8.150 nan 0.000 0.509 327 D N 1.394 121.780 120.400 -0.024 0.000 2.163 327 D HA 0.541 5.182 4.640 0.001 0.000 0.248 327 D C 0.919 177.272 176.300 0.088 0.000 1.035 327 D CA 0.375 54.406 54.000 0.051 0.000 0.872 327 D CB 1.815 42.680 40.800 0.109 0.000 1.183 327 D HN 0.441 nan 8.370 nan 0.000 0.445 328 A N 3.647 126.544 122.820 0.128 0.000 2.067 328 A HA -0.047 4.274 4.320 0.001 0.000 0.217 328 A C 0.965 178.728 177.584 0.299 0.000 1.156 328 A CA 0.539 52.705 52.037 0.215 0.000 0.683 328 A CB -0.057 19.039 19.000 0.160 0.000 0.808 328 A HN 0.515 nan 8.150 nan 0.000 0.455 329 Q N 0.077 119.979 119.800 0.170 0.000 2.271 329 Q HA -0.047 4.293 4.340 0.001 0.000 0.273 329 Q C 0.377 176.550 176.000 0.288 0.000 1.051 329 Q CA -0.205 55.624 55.803 0.044 0.000 0.901 329 Q CB 0.283 29.004 28.738 -0.028 0.000 1.174 329 Q HN 0.700 nan 8.270 nan 0.000 0.385 330 W N 2.530 123.857 121.300 0.044 0.000 2.325 330 W HA -0.187 4.474 4.660 0.001 0.000 0.299 330 W C 1.426 177.895 176.519 -0.083 0.000 1.215 330 W CA 0.738 57.969 57.345 -0.190 0.000 1.244 330 W CB -0.439 28.950 29.460 -0.119 0.000 1.140 330 W HN 0.510 nan 8.180 nan 0.000 0.523 331 L N 0.241 121.539 121.223 0.125 0.000 2.640 331 L HA 0.147 4.487 4.340 0.001 0.000 0.230 331 L C 1.191 178.279 176.870 0.362 0.000 1.123 331 L CA -0.107 54.738 54.840 0.008 0.000 0.900 331 L CB -0.450 41.333 42.059 -0.460 0.000 1.146 331 L HN -0.282 nan 8.230 nan 0.000 0.484 332 S N 1.165 117.074 115.700 0.349 0.000 2.525 332 S HA 0.092 4.562 4.470 0.001 0.000 0.285 332 S C -1.347 173.518 174.600 0.442 0.000 1.283 332 S CA -1.036 57.366 58.200 0.337 0.000 1.072 332 S CB 0.940 64.286 63.200 0.243 0.000 0.867 332 S HN -0.016 nan 8.310 nan 0.000 0.492 333 P HA -0.012 nan 4.420 nan 0.000 0.221 333 P C 0.608 177.938 177.300 0.051 0.000 1.145 333 P CA 1.013 64.185 63.100 0.121 0.000 0.795 333 P CB 0.063 31.725 31.700 -0.063 0.000 0.775 334 A N -2.007 120.856 122.820 0.072 0.000 2.302 334 A HA -0.006 4.315 4.320 0.001 0.000 0.219 334 A C 0.360 177.988 177.584 0.073 0.000 1.243 334 A CA -0.429 51.624 52.037 0.027 0.000 0.856 334 A CB -1.569 17.420 19.000 -0.017 0.000 0.893 334 A HN 0.129 nan 8.150 nan 0.000 0.491 335 Y N 0.853 121.201 120.300 0.078 0.000 2.805 335 Y HA 0.270 4.820 4.550 0.001 0.000 0.331 335 Y C 1.377 177.316 175.900 0.066 0.000 1.241 335 Y CA 0.927 59.098 58.100 0.117 0.000 1.546 335 Y CB 0.050 38.643 38.460 0.222 0.000 1.248 335 Y HN 0.540 nan 8.280 nan 0.000 0.559 336 G N 5.032 113.318 108.800 -0.856 0.000 2.184 336 G HA2 -0.296 3.664 3.960 0.001 0.000 0.264 336 G HA3 -0.296 3.664 3.960 0.001 0.000 0.264 336 G C -0.049 174.647 174.900 -0.340 0.000 0.975 336 G CA 0.433 45.019 45.100 -0.856 0.000 0.642 336 G HN 0.999 nan 8.290 nan 0.000 0.536 337 R N -0.364 120.010 120.500 -0.210 0.000 2.584 337 R HA 0.526 4.867 4.340 0.001 0.000 0.276 337 R C -1.644 174.598 176.300 -0.097 0.000 1.046 337 R CA -1.035 54.989 56.100 -0.126 0.000 0.906 337 R CB 1.179 31.423 30.300 -0.094 0.000 1.215 337 R HN -0.043 nan 8.270 nan 0.000 0.449 338 D N 2.035 122.384 120.400 -0.085 0.000 2.488 338 D HA 0.124 4.764 4.640 0.001 0.000 0.238 338 D C -0.448 175.810 176.300 -0.070 0.000 1.138 338 D CA 0.895 54.850 54.000 -0.074 0.000 0.873 338 D CB 1.178 41.938 40.800 -0.066 0.000 1.183 338 D HN 0.421 nan 8.370 nan 0.000 0.458 339 T N 1.015 115.527 114.554 -0.069 0.000 2.876 339 T HA 0.401 4.752 4.350 0.001 0.000 0.289 339 T C -0.725 173.942 174.700 -0.055 0.000 1.014 339 T CA -0.629 61.432 62.100 -0.066 0.000 0.986 339 T CB 2.134 70.948 68.868 -0.090 0.000 1.021 339 T HN 0.099 nan 8.240 nan 0.000 0.458 340 V N 2.494 122.394 119.914 -0.024 0.000 2.472 340 V HA 0.854 4.975 4.120 0.001 0.000 0.290 340 V C -0.436 175.654 176.094 -0.006 0.000 1.037 340 V CA -0.558 61.745 62.300 0.005 0.000 0.908 340 V CB 0.993 32.850 31.823 0.057 0.000 0.985 340 V HN 1.082 nan 8.190 nan 0.000 0.454 341 A N 5.690 128.498 122.820 -0.019 0.000 2.318 341 A HA 0.923 5.243 4.320 0.001 0.000 0.324 341 A C -0.147 177.487 177.584 0.084 0.000 1.170 341 A CA -0.154 51.890 52.037 0.012 0.000 0.810 341 A CB 1.458 20.404 19.000 -0.090 0.000 1.198 341 A HN 1.797 nan 8.150 nan 0.000 0.484 342 A N 2.286 125.206 122.820 0.167 0.000 2.293 342 A HA 0.603 4.924 4.320 0.001 0.000 0.312 342 A C -0.616 177.070 177.584 0.169 0.000 1.309 342 A CA -0.372 51.758 52.037 0.155 0.000 0.839 342 A CB 0.013 19.187 19.000 0.290 0.000 1.155 342 A HN 1.092 nan 8.150 nan 0.000 0.501 343 H N 1.478 120.451 119.070 -0.162 0.000 2.463 343 H HA 0.707 5.264 4.556 0.001 0.000 0.332 343 H C -1.605 173.370 175.328 -0.588 0.000 1.127 343 H CA -0.664 55.286 56.048 -0.164 0.000 1.238 343 H CB 0.797 30.491 29.762 -0.112 0.000 1.478 343 H HN 0.458 nan 8.280 nan 0.000 0.499 344 F N 2.913 122.300 119.950 -0.938 0.000 2.445 344 F HA 0.255 4.782 4.527 0.000 0.000 0.348 344 F C -0.055 175.009 175.800 -1.227 0.000 1.125 344 F CA -0.884 56.488 58.000 -1.047 0.000 0.983 344 F CB 1.953 39.941 39.000 -1.686 0.000 1.198 344 F HN 0.453 nan 8.300 nan 0.000 0.436 345 T N 2.927 117.229 114.554 -0.421 0.000 2.782 345 T HA 0.152 4.502 4.350 0.001 0.000 0.298 345 T C -0.371 174.293 174.700 -0.060 0.000 0.944 345 T CA -0.374 61.654 62.100 -0.120 0.000 1.001 345 T CB -0.129 68.841 68.868 0.170 0.000 0.932 345 T HN 0.378 nan 8.240 nan 0.000 0.524 346 W N 2.464 123.837 121.300 0.121 0.000 2.253 346 W HA 0.492 5.152 4.660 0.000 0.000 0.348 346 W C 0.715 177.302 176.519 0.113 0.000 1.229 346 W CA -1.399 56.020 57.345 0.123 0.000 1.335 346 W CB 0.389 29.901 29.460 0.085 0.000 1.165 346 W HN 0.429 nan 8.180 nan 0.000 0.631 347 V N -0.260 119.880 119.914 0.376 0.000 2.872 347 V HA -0.002 4.118 4.120 0.001 0.000 0.307 347 V C 0.207 176.427 176.094 0.209 0.000 1.072 347 V CA -0.552 61.887 62.300 0.233 0.000 1.148 347 V CB 0.842 32.764 31.823 0.166 0.000 0.954 347 V HN 0.717 nan 8.190 nan 0.000 0.490 348 E N 2.771 123.064 120.200 0.155 0.000 1.802 348 E HA 0.143 4.493 4.350 0.001 0.000 0.265 348 E C -0.742 175.902 176.600 0.073 0.000 1.168 348 E CA -0.043 56.432 56.400 0.126 0.000 1.033 348 E CB -0.125 29.638 29.700 0.105 0.000 1.095 348 E HN 0.862 nan 8.360 nan 0.000 0.436 349 D N 2.581 123.014 120.400 0.054 0.000 2.381 349 D HA 0.088 4.728 4.640 0.001 0.000 0.245 349 D C 0.528 176.815 176.300 -0.022 0.000 1.297 349 D CA -0.308 53.701 54.000 0.014 0.000 0.931 349 D CB 0.977 41.783 40.800 0.011 0.000 1.334 349 D HN 0.165 nan 8.370 nan 0.000 0.535 350 T N 0.969 115.515 114.554 -0.014 0.000 2.684 350 T HA -0.140 4.211 4.350 0.001 0.000 0.267 350 T C 1.932 176.592 174.700 -0.067 0.000 1.036 350 T CA 1.824 63.902 62.100 -0.036 0.000 1.148 350 T CB 0.007 68.869 68.868 -0.011 0.000 0.863 350 T HN 0.506 nan 8.240 nan 0.000 0.436 351 A N 1.255 124.045 122.820 -0.049 0.000 1.940 351 A HA 0.073 4.393 4.320 0.001 0.000 0.219 351 A C 2.548 180.087 177.584 -0.075 0.000 1.176 351 A CA 1.986 53.991 52.037 -0.053 0.000 0.631 351 A CB -0.929 18.050 19.000 -0.036 0.000 0.814 351 A HN 0.542 nan 8.150 nan 0.000 0.446 352 A N -1.266 121.506 122.820 -0.080 0.000 2.021 352 A HA 0.244 4.564 4.320 0.001 0.000 0.216 352 A C 2.108 179.585 177.584 -0.179 0.000 1.163 352 A CA 1.289 53.267 52.037 -0.098 0.000 0.676 352 A CB -0.381 18.583 19.000 -0.061 0.000 0.818 352 A HN 0.318 nan 8.150 nan 0.000 0.453 353 V N 0.031 119.801 119.914 -0.240 0.000 2.535 353 V HA -0.123 3.997 4.120 0.001 0.000 0.246 353 V C 2.473 178.289 176.094 -0.464 0.000 1.045 353 V CA 1.305 63.316 62.300 -0.482 0.000 1.058 353 V CB -0.564 30.924 31.823 -0.559 0.000 0.689 353 V HN 0.545 nan 8.190 nan 0.000 0.461 354 L N 0.111 121.172 121.223 -0.270 0.000 2.012 354 L HA -0.153 4.187 4.340 0.001 0.000 0.210 354 L C 0.069 176.836 176.870 -0.172 0.000 1.073 354 L CA 1.948 56.675 54.840 -0.189 0.000 0.748 354 L CB -1.934 40.062 42.059 -0.106 0.000 0.891 354 L HN 0.354 nan 8.230 nan 0.000 0.431 355 P HA -0.147 nan 4.420 nan 0.000 0.216 355 P C 1.914 179.117 177.300 -0.162 0.000 1.150 355 P CA 1.201 64.222 63.100 -0.131 0.000 0.843 355 P CB 0.049 31.683 31.700 -0.109 0.000 0.787 356 V N -0.707 119.065 119.914 -0.237 0.000 2.379 356 V HA -0.171 3.949 4.120 0.001 0.000 0.245 356 V C 2.482 178.404 176.094 -0.286 0.000 1.044 356 V CA 1.480 63.616 62.300 -0.272 0.000 1.036 356 V CB -1.164 30.437 31.823 -0.370 0.000 0.664 356 V HN -0.045 nan 8.190 nan 0.000 0.453 357 V N 0.248 119.956 119.914 -0.342 0.000 2.282 357 V HA -0.328 3.792 4.120 0.001 0.000 0.249 357 V C 2.630 178.672 176.094 -0.086 0.000 1.057 357 V CA 2.596 64.801 62.300 -0.158 0.000 1.032 357 V CB -0.747 31.033 31.823 -0.073 0.000 0.645 357 V HN 0.493 nan 8.190 nan 0.000 0.447 358 R N 0.143 120.589 120.500 -0.090 0.000 2.075 358 R HA -0.166 4.175 4.340 0.001 0.000 0.232 358 R C 2.342 178.586 176.300 -0.093 0.000 1.126 358 R CA 1.689 57.751 56.100 -0.063 0.000 0.963 358 R CB -0.426 29.843 30.300 -0.052 0.000 0.858 358 R HN 0.387 nan 8.270 nan 0.000 0.435 359 R N 0.169 120.601 120.500 -0.114 0.000 2.073 359 R HA -0.096 4.244 4.340 0.001 0.000 0.234 359 R C 2.010 178.223 176.300 -0.145 0.000 1.134 359 R CA 1.639 57.669 56.100 -0.118 0.000 0.952 359 R CB -0.962 29.271 30.300 -0.113 0.000 0.850 359 R HN 0.325 nan 8.270 nan 0.000 0.433 360 L N 1.185 122.299 121.223 -0.182 0.000 2.012 360 L HA -0.163 4.177 4.340 0.001 0.000 0.210 360 L C 1.756 178.453 176.870 -0.288 0.000 1.073 360 L CA 2.041 56.733 54.840 -0.247 0.000 0.748 360 L CB -0.637 41.229 42.059 -0.322 0.000 0.891 360 L HN 0.342 nan 8.230 nan 0.000 0.431 361 E N -0.575 119.458 120.200 -0.278 0.000 2.085 361 E HA -0.257 4.093 4.350 0.001 0.000 0.194 361 E C 2.012 178.506 176.600 -0.177 0.000 0.994 361 E CA 1.616 57.857 56.400 -0.266 0.000 0.801 361 E CB -0.149 29.479 29.700 -0.119 0.000 0.743 361 E HN 0.646 nan 8.360 nan 0.000 0.453 362 E N 0.519 120.636 120.200 -0.138 0.000 2.118 362 E HA -0.195 4.155 4.350 0.001 0.000 0.195 362 E C 2.044 178.559 176.600 -0.142 0.000 0.992 362 E CA 0.975 57.301 56.400 -0.122 0.000 0.804 362 E CB -0.136 29.503 29.700 -0.100 0.000 0.741 362 E HN 0.234 nan 8.360 nan 0.000 0.458 363 A N 0.910 123.649 122.820 -0.135 0.000 1.969 363 A HA -0.088 4.233 4.320 0.001 0.000 0.218 363 A C 2.054 179.580 177.584 -0.097 0.000 1.169 363 A CA 0.911 52.884 52.037 -0.106 0.000 0.635 363 A CB -0.291 18.662 19.000 -0.079 0.000 0.810 363 A HN 0.139 nan 8.150 nan 0.000 0.445 364 L N -1.076 120.084 121.223 -0.106 0.000 2.567 364 L HA 0.040 4.381 4.340 0.001 0.000 0.225 364 L C 2.142 178.903 176.870 -0.183 0.000 1.119 364 L CA -0.089 54.752 54.840 0.001 0.000 0.871 364 L CB -0.122 41.933 42.059 -0.006 0.000 1.036 364 L HN 0.177 nan 8.230 nan 0.000 0.459 365 V N 1.896 121.665 119.914 -0.241 0.000 2.317 365 V HA -0.204 3.916 4.120 0.001 0.000 0.251 365 V C 0.085 175.984 176.094 -0.325 0.000 1.065 365 V CA 2.361 64.527 62.300 -0.224 0.000 1.049 365 V CB -1.074 30.643 31.823 -0.176 0.000 0.651 365 V HN 0.417 nan 8.190 nan 0.000 0.450 366 P HA -0.079 nan 4.420 nan 0.000 0.233 366 P C 0.826 177.752 177.300 -0.624 0.000 1.167 366 P CA 1.098 63.834 63.100 -0.607 0.000 0.770 366 P CB -0.169 31.066 31.700 -0.775 0.000 0.837 367 F N 0.041 119.870 119.950 -0.201 0.000 2.664 367 F HA 0.528 5.055 4.527 0.001 0.000 0.301 367 F C 1.379 177.163 175.800 -0.026 0.000 1.126 367 F CA -0.747 57.120 58.000 -0.222 0.000 1.373 367 F CB -1.164 37.752 39.000 -0.141 0.000 1.042 367 F HN -0.112 nan 8.300 nan 0.000 0.535 368 A N 0.514 123.358 122.820 0.041 0.000 2.640 368 A HA -0.044 4.277 4.320 0.001 0.000 0.300 368 A C 0.911 178.522 177.584 0.044 0.000 1.499 368 A CA 0.422 52.477 52.037 0.031 0.000 0.759 368 A CB -1.968 17.062 19.000 0.050 0.000 1.048 368 A HN 0.729 nan 8.150 nan 0.000 0.450 369 A N 0.657 123.519 122.820 0.070 0.000 2.444 369 A HA 0.502 4.822 4.320 0.001 0.000 0.273 369 A C 0.728 178.347 177.584 0.059 0.000 1.136 369 A CA 0.049 52.155 52.037 0.116 0.000 0.799 369 A CB -0.002 19.097 19.000 0.166 0.000 1.081 369 A HN 0.647 nan 8.150 nan 0.000 0.509 370 R N 4.123 124.613 120.500 -0.016 0.000 2.221 370 R HA 0.346 4.686 4.340 0.001 0.000 0.327 370 R C -2.566 173.622 176.300 -0.187 0.000 1.033 370 R CA -1.678 54.328 56.100 -0.156 0.000 0.887 370 R CB 1.136 31.276 30.300 -0.266 0.000 1.057 370 R HN 0.530 nan 8.270 nan 0.000 0.455 371 P HA -0.057 nan 4.420 nan 0.000 0.275 371 P C -0.784 176.184 177.300 -0.554 0.000 1.228 371 P CA -0.151 62.634 63.100 -0.526 0.000 0.786 371 P CB 0.666 31.904 31.700 -0.771 0.000 0.927 372 H N 2.208 121.085 119.070 -0.323 0.000 3.046 372 H HA -0.032 4.524 4.556 0.001 0.000 0.303 372 H C 0.644 176.028 175.328 0.094 0.000 1.002 372 H CA 0.642 56.637 56.048 -0.088 0.000 1.460 372 H CB 0.126 29.940 29.762 0.088 0.000 1.493 372 H HN 0.517 nan 8.280 nan 0.000 0.559 373 W N 2.894 124.378 121.300 0.306 0.000 2.364 373 W HA -0.065 4.596 4.660 0.001 0.000 0.281 373 W C 2.305 179.179 176.519 0.592 0.000 1.219 373 W CA 0.670 58.313 57.345 0.496 0.000 1.220 373 W CB 0.175 29.797 29.460 0.270 0.000 1.127 373 W HN 0.730 nan 8.180 nan 0.000 0.556 374 G N -0.266 109.053 108.800 0.864 0.000 2.985 374 G HA2 0.065 4.025 3.960 0.001 0.000 0.209 374 G HA3 0.065 4.025 3.960 0.001 0.000 0.209 374 G C 0.463 175.690 174.900 0.545 0.000 1.165 374 G CA -0.121 45.332 45.100 0.588 0.000 0.776 374 G HN 0.075 nan 8.290 nan 0.000 0.541 375 K N -0.658 120.080 120.400 0.564 0.000 2.313 375 K HA 0.571 4.891 4.320 0.001 0.000 0.235 375 K C -0.808 176.050 176.600 0.430 0.000 1.035 375 K CA -0.949 55.585 56.287 0.411 0.000 0.868 375 K CB 2.437 35.030 32.500 0.154 0.000 1.232 375 K HN -0.156 nan 8.250 nan 0.000 0.459 376 V N 2.762 122.862 119.914 0.310 0.000 2.555 376 V HA 0.243 4.364 4.120 0.001 0.000 0.286 376 V C -0.551 175.732 176.094 0.315 0.000 1.044 376 V CA 0.265 62.704 62.300 0.231 0.000 1.026 376 V CB -0.719 31.242 31.823 0.230 0.000 0.981 376 V HN 0.635 nan 8.190 nan 0.000 0.480 377 F N 1.509 121.590 119.950 0.218 0.000 2.686 377 F HA 0.657 5.184 4.527 0.001 0.000 0.311 377 F C 0.248 176.152 175.800 0.174 0.000 1.128 377 F CA -0.510 57.618 58.000 0.214 0.000 0.946 377 F CB 1.767 40.872 39.000 0.175 0.000 1.336 377 F HN 0.299 nan 8.300 nan 0.000 0.457 378 T N -1.889 112.898 114.554 0.390 0.000 3.091 378 T HA 0.298 4.648 4.350 0.001 0.000 0.277 378 T C -0.091 174.772 174.700 0.273 0.000 0.996 378 T CA -0.036 62.199 62.100 0.225 0.000 0.897 378 T CB -0.392 68.539 68.868 0.106 0.000 1.109 378 T HN 0.505 nan 8.240 nan 0.000 0.534 379 V N 4.707 124.863 119.914 0.402 0.000 2.557 379 V HA 0.203 4.324 4.120 0.001 0.000 0.301 379 V C -1.843 174.384 176.094 0.222 0.000 1.026 379 V CA -1.354 61.090 62.300 0.239 0.000 1.137 379 V CB -0.100 31.819 31.823 0.160 0.000 0.917 379 V HN 0.396 nan 8.190 nan 0.000 0.484 380 P HA 0.093 nan 4.420 nan 0.000 0.266 380 P C 0.647 178.014 177.300 0.112 0.000 1.195 380 P CA 0.091 63.255 63.100 0.107 0.000 0.768 380 P CB 0.808 32.547 31.700 0.065 0.000 0.838 381 A N 3.884 126.768 122.820 0.107 0.000 1.917 381 A HA -0.168 4.152 4.320 0.001 0.000 0.219 381 A C 2.326 179.967 177.584 0.094 0.000 1.182 381 A CA 2.322 54.422 52.037 0.106 0.000 0.633 381 A CB -1.749 17.297 19.000 0.076 0.000 0.819 381 A HN 0.639 nan 8.150 nan 0.000 0.448 382 G N -0.979 107.864 108.800 0.071 0.000 2.402 382 G HA2 -0.180 3.781 3.960 0.001 0.000 0.216 382 G HA3 -0.180 3.781 3.960 0.001 0.000 0.216 382 G C 1.452 176.390 174.900 0.064 0.000 1.162 382 G CA 0.943 46.080 45.100 0.061 0.000 0.777 382 G HN 0.639 nan 8.290 nan 0.000 0.539 383 E N -0.528 119.708 120.200 0.059 0.000 2.077 383 E HA -0.091 4.260 4.350 0.001 0.000 0.193 383 E C 2.436 179.079 176.600 0.072 0.000 0.989 383 E CA 0.448 56.879 56.400 0.050 0.000 0.800 383 E CB -0.136 29.586 29.700 0.037 0.000 0.746 383 E HN 0.253 nan 8.360 nan 0.000 0.452 384 L N 1.233 122.517 121.223 0.102 0.000 1.989 384 L HA -0.217 4.123 4.340 0.001 0.000 0.211 384 L C 2.180 179.205 176.870 0.260 0.000 1.071 384 L CA 1.760 56.694 54.840 0.158 0.000 0.749 384 L CB -0.397 41.765 42.059 0.173 0.000 0.890 384 L HN 0.018 nan 8.230 nan 0.000 0.431 385 R N -0.997 119.622 120.500 0.198 0.000 2.091 385 R HA -0.164 4.176 4.340 0.001 0.000 0.238 385 R C 2.112 178.515 176.300 0.172 0.000 1.136 385 R CA 1.386 57.600 56.100 0.191 0.000 0.959 385 R CB -0.765 29.607 30.300 0.119 0.000 0.856 385 R HN 0.449 nan 8.270 nan 0.000 0.437 386 A N 1.081 123.968 122.820 0.111 0.000 2.076 386 A HA -0.110 4.210 4.320 0.001 0.000 0.220 386 A C 2.036 179.654 177.584 0.056 0.000 1.160 386 A CA 1.139 53.218 52.037 0.071 0.000 0.653 386 A CB -0.408 18.617 19.000 0.041 0.000 0.801 386 A HN 0.207 nan 8.150 nan 0.000 0.455 387 L N -2.452 118.810 121.223 0.064 0.000 2.418 387 L HA 0.056 4.396 4.340 0.001 0.000 0.218 387 L C -0.099 176.644 176.870 -0.213 0.000 1.125 387 L CA 0.198 54.987 54.840 -0.085 0.000 0.835 387 L CB -0.063 41.889 42.059 -0.177 0.000 0.953 387 L HN 0.385 nan 8.230 nan 0.000 0.454 388 Y N -0.492 119.843 120.300 0.058 0.000 2.478 388 Y HA 0.263 4.814 4.550 0.001 0.000 0.329 388 Y C -1.510 174.382 175.900 -0.013 0.000 0.967 388 Y CA -2.072 56.055 58.100 0.046 0.000 1.255 388 Y CB 0.777 39.277 38.460 0.066 0.000 1.103 388 Y HN -0.130 nan 8.280 nan 0.000 0.497 389 P HA -0.172 nan 4.420 nan 0.000 0.217 389 P C 0.592 177.840 177.300 -0.087 0.000 1.151 389 P CA 1.657 64.775 63.100 0.030 0.000 0.849 389 P CB 0.282 32.059 31.700 0.128 0.000 0.787 390 R N -1.436 118.926 120.500 -0.230 0.000 2.586 390 R HA 0.252 4.592 4.340 0.001 0.000 0.336 390 R C 1.598 177.744 176.300 -0.257 0.000 1.060 390 R CA -0.269 55.588 56.100 -0.406 0.000 1.079 390 R CB -0.450 29.364 30.300 -0.810 0.000 1.317 390 R HN 0.206 nan 8.270 nan 0.000 0.568 391 L N 0.934 122.127 121.223 -0.049 0.000 2.046 391 L HA -0.141 4.200 4.340 0.001 0.000 0.208 391 L C 2.337 179.230 176.870 0.037 0.000 1.077 391 L CA 1.719 56.584 54.840 0.041 0.000 0.747 391 L CB -0.191 41.920 42.059 0.086 0.000 0.896 391 L HN 0.237 nan 8.230 nan 0.000 0.432 392 A N -0.259 122.541 122.820 -0.033 0.000 1.917 392 A HA -0.272 4.048 4.320 0.001 0.000 0.219 392 A C 1.901 179.425 177.584 -0.100 0.000 1.182 392 A CA 2.167 54.174 52.037 -0.050 0.000 0.633 392 A CB -0.778 18.182 19.000 -0.067 0.000 0.819 392 A HN 0.604 nan 8.150 nan 0.000 0.448 393 D N -1.353 118.903 120.400 -0.241 0.000 2.149 393 D HA -0.088 4.552 4.640 0.001 0.000 0.201 393 D C 1.626 177.839 176.300 -0.145 0.000 0.972 393 D CA 0.965 54.733 54.000 -0.386 0.000 0.835 393 D CB -0.494 39.733 40.800 -0.955 0.000 0.966 393 D HN 0.489 nan 8.370 nan 0.000 0.476 394 F N 2.333 122.251 119.950 -0.053 0.000 2.069 394 F HA -0.110 4.418 4.527 0.000 0.000 0.298 394 F C 2.369 178.217 175.800 0.079 0.000 1.113 394 F CA 2.070 60.194 58.000 0.206 0.000 1.214 394 F CB -0.592 38.502 39.000 0.157 0.000 0.978 394 F HN -0.017 nan 8.300 nan 0.000 0.474 395 G N -0.442 108.371 108.800 0.022 0.000 2.469 395 G HA2 -0.282 3.678 3.960 0.001 0.000 0.220 395 G HA3 -0.282 3.678 3.960 0.001 0.000 0.220 395 G C 1.770 176.591 174.900 -0.131 0.000 1.136 395 G CA 0.952 46.020 45.100 -0.054 0.000 0.759 395 G HN 0.648 nan 8.290 nan 0.000 0.562 396 A N 0.178 122.937 122.820 -0.102 0.000 1.929 396 A HA 0.173 4.493 4.320 0.001 0.000 0.216 396 A C 2.326 179.852 177.584 -0.096 0.000 1.176 396 A CA 1.549 53.538 52.037 -0.081 0.000 0.628 396 A CB -0.373 18.592 19.000 -0.058 0.000 0.816 396 A HN 0.439 nan 8.150 nan 0.000 0.444 397 L N -0.009 121.143 121.223 -0.118 0.000 2.017 397 L HA -0.071 4.270 4.340 0.001 0.000 0.208 397 L C 2.643 179.366 176.870 -0.244 0.000 1.073 397 L CA 2.292 57.055 54.840 -0.128 0.000 0.745 397 L CB -0.848 41.183 42.059 -0.047 0.000 0.894 397 L HN 0.329 nan 8.230 nan 0.000 0.432 398 A N -0.456 122.094 122.820 -0.450 0.000 1.908 398 A HA -0.108 4.212 4.320 0.001 0.000 0.218 398 A C 2.353 179.851 177.584 -0.143 0.000 1.181 398 A CA 1.662 53.493 52.037 -0.343 0.000 0.627 398 A CB -1.670 17.078 19.000 -0.420 0.000 0.818 398 A HN 0.552 nan 8.150 nan 0.000 0.445 399 G N -0.748 107.981 108.800 -0.118 0.000 2.422 399 G HA2 0.008 3.969 3.960 0.001 0.000 0.218 399 G HA3 0.008 3.969 3.960 0.001 0.000 0.218 399 G C 1.665 176.541 174.900 -0.040 0.000 1.146 399 G CA 1.457 46.523 45.100 -0.056 0.000 0.769 399 G HN 0.806 nan 8.290 nan 0.000 0.547 400 A N 0.118 122.908 122.820 -0.051 0.000 1.898 400 A HA 0.303 4.624 4.320 0.001 0.000 0.214 400 A C 2.335 179.906 177.584 -0.022 0.000 1.183 400 A CA 0.820 52.840 52.037 -0.029 0.000 0.622 400 A CB -0.239 18.747 19.000 -0.024 0.000 0.824 400 A HN 0.324 nan 8.150 nan 0.000 0.444 401 L N -1.216 119.985 121.223 -0.037 0.000 2.341 401 L HA 0.063 4.403 4.340 0.001 0.000 0.214 401 L C 0.397 177.275 176.870 0.014 0.000 1.115 401 L CA 0.788 55.615 54.840 -0.022 0.000 0.820 401 L CB 0.234 42.261 42.059 -0.052 0.000 0.944 401 L HN 0.317 nan 8.230 nan 0.000 0.452 402 D N -0.935 119.476 120.400 0.019 0.000 2.735 402 D HA 0.120 4.761 4.640 0.001 0.000 0.291 402 D C -1.665 174.659 176.300 0.040 0.000 1.205 402 D CA -1.592 52.454 54.000 0.076 0.000 0.777 402 D CB 0.751 41.646 40.800 0.158 0.000 1.234 402 D HN -0.128 nan 8.370 nan 0.000 0.520 403 P HA -0.132 nan 4.420 nan 0.000 0.216 403 P C 1.063 178.369 177.300 0.010 0.000 1.150 403 P CA 0.836 63.942 63.100 0.009 0.000 0.837 403 P CB 0.280 31.984 31.700 0.007 0.000 0.786 404 A N -0.674 122.153 122.820 0.012 0.000 2.238 404 A HA 0.398 4.719 4.320 0.001 0.000 0.208 404 A C 1.615 179.199 177.584 -0.000 0.000 1.177 404 A CA 0.711 52.748 52.037 0.000 0.000 0.804 404 A CB -1.296 17.697 19.000 -0.011 0.000 0.823 404 A HN 0.267 nan 8.150 nan 0.000 0.482 405 G N 0.246 109.058 108.800 0.019 0.000 2.246 405 G HA2 -0.353 3.607 3.960 0.001 0.000 0.273 405 G HA3 -0.353 3.607 3.960 0.001 0.000 0.273 405 G C 0.807 175.700 174.900 -0.011 0.000 1.055 405 G CA 0.946 46.063 45.100 0.029 0.000 0.851 405 G HN 0.648 nan 8.290 nan 0.000 0.500 406 K N -0.899 119.460 120.400 -0.069 0.000 2.074 406 K HA -0.027 4.294 4.320 0.001 0.000 0.209 406 K C 1.525 177.891 176.600 -0.390 0.000 1.048 406 K CA 1.795 57.914 56.287 -0.280 0.000 0.926 406 K CB -0.177 32.043 32.500 -0.468 0.000 0.713 406 K HN 0.442 nan 8.250 nan 0.000 0.444 407 F N 0.349 120.303 119.950 0.007 0.000 2.693 407 F HA 0.150 4.677 4.527 0.001 0.000 0.303 407 F C 0.168 175.987 175.800 0.032 0.000 1.097 407 F CA -0.041 57.966 58.000 0.012 0.000 1.330 407 F CB 0.666 39.672 39.000 0.009 0.000 1.067 407 F HN -0.246 nan 8.300 nan 0.000 0.565 408 T N 2.511 117.145 114.554 0.134 0.000 2.733 408 T HA 0.230 4.581 4.350 0.001 0.000 0.294 408 T C 0.152 174.904 174.700 0.087 0.000 0.956 408 T CA -0.678 61.493 62.100 0.120 0.000 0.987 408 T CB 0.440 69.367 68.868 0.098 0.000 0.920 408 T HN 0.152 nan 8.240 nan 0.000 0.470 409 N N 2.241 121.011 118.700 0.117 0.000 2.604 409 N HA 0.521 5.262 4.740 0.001 0.000 0.297 409 N C 1.432 177.023 175.510 0.135 0.000 1.266 409 N CA -0.679 52.438 53.050 0.111 0.000 0.961 409 N CB 0.103 38.660 38.487 0.117 0.000 1.166 409 N HN 0.366 nan 8.380 nan 0.000 0.601 410 A N -0.152 122.748 122.820 0.134 0.000 1.908 410 A HA -0.142 4.178 4.320 0.001 0.000 0.218 410 A C 1.971 179.655 177.584 0.165 0.000 1.181 410 A CA 1.318 53.431 52.037 0.127 0.000 0.627 410 A CB -1.250 17.817 19.000 0.111 0.000 0.818 410 A HN 0.632 nan 8.150 nan 0.000 0.445 411 F N 0.638 120.634 119.950 0.078 0.000 2.046 411 F HA -0.208 4.320 4.527 0.001 0.000 0.297 411 F C 2.296 178.153 175.800 0.095 0.000 1.123 411 F CA 2.332 60.393 58.000 0.102 0.000 1.199 411 F CB -0.284 38.784 39.000 0.113 0.000 0.972 411 F HN 0.044 nan 8.300 nan 0.000 0.474 412 V N 0.877 121.006 119.914 0.358 0.000 2.343 412 V HA -0.296 3.824 4.120 0.001 0.000 0.247 412 V C 2.505 178.647 176.094 0.081 0.000 1.051 412 V CA 2.228 64.642 62.300 0.190 0.000 1.036 412 V CB -0.850 31.094 31.823 0.201 0.000 0.654 412 V HN 0.332 nan 8.190 nan 0.000 0.451 413 R N 0.295 120.849 120.500 0.090 0.000 2.096 413 R HA -0.179 4.162 4.340 0.001 0.000 0.240 413 R C 2.355 178.676 176.300 0.035 0.000 1.139 413 R CA 1.976 58.113 56.100 0.061 0.000 0.952 413 R CB -0.815 29.521 30.300 0.060 0.000 0.854 413 R HN 0.548 nan 8.270 nan 0.000 0.436 414 G N -0.035 108.773 108.800 0.014 0.000 2.421 414 G HA2 -0.235 3.726 3.960 0.001 0.000 0.216 414 G HA3 -0.235 3.726 3.960 0.001 0.000 0.216 414 G C 1.431 176.332 174.900 0.001 0.000 1.171 414 G CA 0.959 46.058 45.100 -0.001 0.000 0.775 414 G HN 0.233 nan 8.290 nan 0.000 0.543 415 V N 1.102 120.993 119.914 -0.038 0.000 2.231 415 V HA -0.211 3.910 4.120 0.001 0.000 0.248 415 V C 2.936 179.046 176.094 0.027 0.000 1.054 415 V CA 1.949 64.244 62.300 -0.009 0.000 1.015 415 V CB -0.548 31.198 31.823 -0.128 0.000 0.638 415 V HN 0.358 nan 8.190 nan 0.000 0.444 416 L N -0.480 120.762 121.223 0.031 0.000 2.109 416 L HA 0.134 4.474 4.340 0.001 0.000 0.207 416 L C 1.691 178.590 176.870 0.048 0.000 1.086 416 L CA 0.473 55.348 54.840 0.058 0.000 0.760 416 L CB -0.884 41.224 42.059 0.082 0.000 0.910 416 L HN 0.398 nan 8.230 nan 0.000 0.437 417 A N 0.000 122.844 122.820 0.041 0.000 2.254 417 A HA 0.000 4.320 4.320 0.001 0.000 0.244 417 A CA 0.000 52.058 52.037 0.035 0.000 0.836 417 A CB 0.000 19.020 19.000 0.034 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486