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 2df7_1_J DATA FIRST_RESID 12 DATA SEQUENCE VPFIRSLLMP TTGPASIPDD TLEKHTLRSE TSTYNLTVGD TGSGLIVFFP DATA SEQUENCE GFPGSIVGAH YTLQSNGNYK FDQMLLTAQN LPASYNYCRL VSRSLTVRSS DATA SEQUENCE TXXXXXXXLN GTINAVTFQG SLSELTDVSY NGLMSATANI NDKIGNVLVG DATA SEQUENCE EGVTVLSLPT SYDLGYVRLG DPIPAIGLDP KMVATCDSSD RPRVYTITAA DATA SEQUENCE DDYQFSSQYQ SGGVTITLFS ANIDAITSLS IGGELVFHTS VHGLALDATI DATA SEQUENCE YLIGFDGTTV ITRAVASDNG LTTGIDNLMP FNLVIPTNEI TQPITSIKLE DATA SEQUENCE IVTSKSGGQA GDQMSWSASG SLAVTIHGGN YPGALRPVTL VAYERVATGS DATA SEQUENCE VVTVAGVSNF ELIPNPELAK NLVTEYGRFD PGAMNYTKLI LSERERLGIK DATA SEQUENCE TVWPTREYTD FREYFMEV 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.128 176.094 0.057 0.000 1.182 12 V CA 0.000 62.302 62.300 0.003 0.000 1.235 12 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 13 P HA -0.262 nan 4.420 nan 0.000 0.222 13 P C 1.587 178.926 177.300 0.065 0.000 1.159 13 P CA 1.724 64.858 63.100 0.056 0.000 0.920 13 P CB 0.128 31.868 31.700 0.068 0.000 0.793 14 F N -0.015 119.938 119.950 0.005 0.000 2.095 14 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 14 F C 2.035 177.844 175.800 0.015 0.000 1.104 14 F CA 1.414 59.413 58.000 -0.002 0.000 1.232 14 F CB -0.697 38.285 39.000 -0.029 0.000 0.987 14 F HN -0.227 nan 8.300 nan 0.000 0.475 15 I N 0.426 120.947 120.570 -0.082 0.000 2.286 15 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 15 I C 2.540 178.538 176.117 -0.200 0.000 1.115 15 I CA 1.458 62.682 61.300 -0.126 0.000 1.392 15 I CB -1.408 36.687 38.000 0.158 0.000 1.065 15 I HN 0.219 nan 8.210 nan 0.000 0.418 16 R N 0.527 120.958 120.500 -0.115 0.000 2.073 16 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 16 R C 2.616 178.822 176.300 -0.157 0.000 1.134 16 R CA 1.956 57.994 56.100 -0.104 0.000 0.952 16 R CB -0.202 30.076 30.300 -0.035 0.000 0.850 16 R HN 0.190 nan 8.270 nan 0.000 0.433 17 S N 0.156 115.733 115.700 -0.205 0.000 2.368 17 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 17 S C 1.830 176.256 174.600 -0.290 0.000 1.030 17 S CA 1.154 59.226 58.200 -0.214 0.000 0.999 17 S CB -0.299 62.789 63.200 -0.187 0.000 0.844 17 S HN 0.352 nan 8.310 nan 0.000 0.459 18 L N 1.579 122.503 121.223 -0.499 0.000 2.017 18 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 18 L C 1.969 178.709 176.870 -0.217 0.000 1.073 18 L CA 1.882 56.462 54.840 -0.433 0.000 0.745 18 L CB -0.623 41.071 42.059 -0.609 0.000 0.894 18 L HN 0.389 nan 8.230 nan 0.000 0.432 19 L N -1.675 119.432 121.223 -0.195 0.000 2.375 19 L HA 0.057 4.397 4.340 -0.000 0.000 0.215 19 L C 0.813 177.690 176.870 0.013 0.000 1.108 19 L CA 0.344 55.134 54.840 -0.084 0.000 0.830 19 L CB -0.029 41.939 42.059 -0.151 0.000 0.959 19 L HN 0.254 nan 8.230 nan 0.000 0.457 20 M N -0.631 118.944 119.600 -0.042 0.000 2.720 20 M HA 0.226 4.706 4.480 -0.000 0.000 0.250 20 M C -1.930 174.351 176.300 -0.033 0.000 1.280 20 M CA -1.301 54.005 55.300 0.010 0.000 0.579 20 M CB 1.702 34.285 32.600 -0.030 0.000 1.469 20 M HN -0.250 nan 8.290 nan 0.000 0.416 21 P HA -0.194 nan 4.420 nan 0.000 0.217 21 P C 1.334 178.605 177.300 -0.049 0.000 1.148 21 P CA 1.645 64.699 63.100 -0.076 0.000 0.834 21 P CB -0.193 31.446 31.700 -0.102 0.000 0.783 22 T N -4.458 110.081 114.554 -0.025 0.000 3.077 22 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 22 T C 1.433 176.127 174.700 -0.010 0.000 1.146 22 T CA 1.587 63.680 62.100 -0.012 0.000 1.091 22 T CB -1.531 67.339 68.868 0.004 0.000 0.892 22 T HN 0.237 nan 8.240 nan 0.000 0.533 23 T N -2.034 112.510 114.554 -0.017 0.000 3.129 23 T HA 0.526 4.876 4.350 -0.000 0.000 0.251 23 T C 1.135 175.831 174.700 -0.008 0.000 1.117 23 T CA 0.105 62.198 62.100 -0.013 0.000 1.034 23 T CB -0.306 68.551 68.868 -0.018 0.000 0.968 23 T HN 1.081 nan 8.240 nan 0.000 0.526 24 G N 1.698 110.490 108.800 -0.012 0.000 2.408 24 G HA2 0.223 4.183 3.960 -0.000 0.000 0.682 24 G HA3 0.223 4.183 3.960 -0.000 0.000 0.682 24 G C -3.388 171.510 174.900 -0.005 0.000 1.303 24 G CA -0.647 44.454 45.100 0.001 0.000 0.966 24 G HN 0.287 nan 8.290 nan 0.000 0.560 25 P HA 0.708 nan 4.420 nan 0.000 0.280 25 P C -0.399 176.945 177.300 0.074 0.000 1.272 25 P CA 0.325 63.448 63.100 0.039 0.000 0.819 25 P CB 2.081 33.820 31.700 0.066 0.000 1.122 26 A N 0.381 123.275 122.820 0.124 0.000 2.612 26 A HA 0.570 4.890 4.320 -0.000 0.000 0.293 26 A C -0.555 177.178 177.584 0.248 0.000 1.075 26 A CA -0.529 51.617 52.037 0.181 0.000 0.680 26 A CB 0.663 19.779 19.000 0.194 0.000 1.279 26 A HN 0.395 nan 8.150 nan 0.000 0.411 27 S N 0.677 116.514 115.700 0.228 0.000 2.580 27 S HA 0.445 4.915 4.470 -0.000 0.000 0.274 27 S C 0.274 174.881 174.600 0.012 0.000 1.329 27 S CA -0.299 58.011 58.200 0.184 0.000 1.036 27 S CB 0.314 63.679 63.200 0.275 0.000 0.919 27 S HN 0.475 nan 8.310 nan 0.000 0.515 28 I N 4.583 125.044 120.570 -0.180 0.000 2.517 28 I HA 0.119 4.289 4.170 -0.000 0.000 0.285 28 I C -1.511 174.272 176.117 -0.557 0.000 1.106 28 I CA -1.557 59.349 61.300 -0.657 0.000 1.402 28 I CB 0.464 38.173 38.000 -0.485 0.000 1.399 28 I HN 0.419 nan 8.210 nan 0.000 0.535 29 P HA 0.043 nan 4.420 nan 0.000 0.237 29 P C -0.859 176.260 177.300 -0.303 0.000 1.723 29 P CA -0.119 62.746 63.100 -0.390 0.000 0.882 29 P CB -0.480 31.009 31.700 -0.352 0.000 1.810 30 D N -0.937 119.304 120.400 -0.265 0.000 2.509 30 D HA 0.127 4.767 4.640 -0.000 0.000 0.275 30 D C 0.453 176.731 176.300 -0.037 0.000 1.189 30 D CA -0.333 53.580 54.000 -0.145 0.000 1.098 30 D CB -0.135 40.586 40.800 -0.132 0.000 1.177 30 D HN -0.217 nan 8.370 nan 0.000 0.599 31 D N -1.430 118.969 120.400 -0.002 0.000 2.363 31 D HA 0.073 4.713 4.640 -0.000 0.000 0.214 31 D C -0.036 176.293 176.300 0.049 0.000 1.093 31 D CA 0.222 54.236 54.000 0.024 0.000 0.837 31 D CB 0.173 40.985 40.800 0.020 0.000 0.948 31 D HN 0.254 nan 8.370 nan 0.000 0.507 32 T N 1.701 116.293 114.554 0.063 0.000 4.309 32 T HA 0.182 4.532 4.350 -0.000 0.000 0.242 32 T C 0.938 175.736 174.700 0.162 0.000 1.142 32 T CA -0.161 62.008 62.100 0.114 0.000 1.042 32 T CB -0.386 68.559 68.868 0.129 0.000 1.366 32 T HN 0.041 nan 8.240 nan 0.000 0.942 33 L N 3.359 124.676 121.223 0.157 0.000 2.505 33 L HA 0.138 4.478 4.340 -0.000 0.000 0.279 33 L C 0.736 177.801 176.870 0.326 0.000 1.211 33 L CA 0.312 55.308 54.840 0.261 0.000 1.059 33 L CB -0.169 42.000 42.059 0.183 0.000 1.340 33 L HN 0.368 nan 8.230 nan 0.000 0.447 34 E N 3.021 123.359 120.200 0.231 0.000 2.227 34 E HA 0.332 4.682 4.350 -0.000 0.000 0.268 34 E C -0.656 175.878 176.600 -0.110 0.000 0.907 34 E CA -1.003 55.382 56.400 -0.026 0.000 0.786 34 E CB 2.288 31.760 29.700 -0.379 0.000 1.191 34 E HN 0.274 nan 8.360 nan 0.000 0.411 35 K N 2.960 123.093 120.400 -0.445 0.000 2.339 35 K HA 0.116 4.436 4.320 -0.000 0.000 0.286 35 K C 0.070 176.575 176.600 -0.159 0.000 1.050 35 K CA 0.066 56.044 56.287 -0.514 0.000 0.956 35 K CB 0.316 32.495 32.500 -0.535 0.000 0.990 35 K HN 0.538 nan 8.250 nan 0.000 0.475 36 H N -0.378 118.620 119.070 -0.120 0.000 2.947 36 H HA 0.452 5.008 4.556 -0.000 0.000 0.290 36 H C -1.178 174.183 175.328 0.055 0.000 1.430 36 H CA -0.781 55.277 56.048 0.017 0.000 1.189 36 H CB 1.844 31.701 29.762 0.159 0.000 1.875 36 H HN 0.460 nan 8.280 nan 0.000 0.568 37 T N 0.378 115.052 114.554 0.200 0.000 2.916 37 T HA 0.583 4.932 4.350 -0.000 0.000 0.292 37 T C -0.997 173.856 174.700 0.255 0.000 1.055 37 T CA -0.732 61.448 62.100 0.133 0.000 1.009 37 T CB 1.174 70.134 68.868 0.153 0.000 1.118 37 T HN 0.421 nan 8.240 nan 0.000 0.497 38 L N 3.680 125.015 121.223 0.187 0.000 2.329 38 L HA 0.758 5.098 4.340 -0.000 0.000 0.279 38 L C 0.177 177.129 176.870 0.138 0.000 1.014 38 L CA -0.996 53.959 54.840 0.191 0.000 0.814 38 L CB 1.434 43.599 42.059 0.178 0.000 1.257 38 L HN 0.446 nan 8.230 nan 0.000 0.424 39 R N 1.288 121.873 120.500 0.142 0.000 2.774 39 R HA 0.601 4.941 4.340 -0.000 0.000 0.272 39 R C -1.460 174.945 176.300 0.175 0.000 1.000 39 R CA -0.889 55.293 56.100 0.137 0.000 0.906 39 R CB 2.367 32.716 30.300 0.082 0.000 1.227 39 R HN 0.486 nan 8.270 nan 0.000 0.468 40 S N 1.323 117.109 115.700 0.143 0.000 2.519 40 S HA 0.434 4.904 4.470 -0.000 0.000 0.309 40 S C -0.867 173.825 174.600 0.152 0.000 1.100 40 S CA -0.748 57.526 58.200 0.123 0.000 1.059 40 S CB 1.907 65.147 63.200 0.067 0.000 1.008 40 S HN 0.241 nan 8.310 nan 0.000 0.478 41 E N 2.537 122.857 120.200 0.200 0.000 2.199 41 E HA 0.395 4.745 4.350 -0.000 0.000 0.265 41 E C -0.212 176.474 176.600 0.143 0.000 0.882 41 E CA -0.458 56.059 56.400 0.195 0.000 0.759 41 E CB 1.992 31.868 29.700 0.294 0.000 1.148 41 E HN 0.706 nan 8.360 nan 0.000 0.412 42 T N -0.724 113.890 114.554 0.099 0.000 2.902 42 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 42 T C 0.297 175.049 174.700 0.086 0.000 0.992 42 T CA -0.683 61.459 62.100 0.071 0.000 1.015 42 T CB 1.215 70.105 68.868 0.037 0.000 1.044 42 T HN 0.110 nan 8.240 nan 0.000 0.520 43 S N 0.814 116.565 115.700 0.086 0.000 2.557 43 S HA 0.724 5.194 4.470 -0.000 0.000 0.291 43 S C -0.781 173.856 174.600 0.062 0.000 1.116 43 S CA -0.855 57.426 58.200 0.136 0.000 0.992 43 S CB 1.501 64.857 63.200 0.260 0.000 1.028 43 S HN 1.072 nan 8.310 nan 0.000 0.484 44 T N 1.375 115.845 114.554 -0.141 0.000 3.011 44 T HA 0.701 5.051 4.350 -0.000 0.000 0.303 44 T C -1.481 172.924 174.700 -0.490 0.000 0.997 44 T CA -0.535 61.463 62.100 -0.171 0.000 1.007 44 T CB 0.550 69.330 68.868 -0.147 0.000 1.017 44 T HN 0.420 nan 8.240 nan 0.000 0.443 45 Y N 1.042 121.348 120.300 0.009 0.000 2.504 45 Y HA 0.565 5.115 4.550 -0.000 0.000 0.344 45 Y C -0.332 175.549 175.900 -0.031 0.000 1.023 45 Y CA -1.206 56.888 58.100 -0.010 0.000 1.020 45 Y CB 2.363 40.812 38.460 -0.019 0.000 1.282 45 Y HN 0.567 nan 8.280 nan 0.000 0.454 46 N N 3.659 122.425 118.700 0.109 0.000 2.626 46 N HA 0.413 5.153 4.740 -0.000 0.000 0.242 46 N C -1.349 174.182 175.510 0.036 0.000 1.005 46 N CA -0.306 52.768 53.050 0.041 0.000 0.905 46 N CB 1.178 39.672 38.487 0.013 0.000 1.128 46 N HN 0.547 nan 8.380 nan 0.000 0.512 47 L N 0.950 122.161 121.223 -0.021 0.000 2.375 47 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 47 L C 0.719 177.584 176.870 -0.008 0.000 1.107 47 L CA -0.388 54.425 54.840 -0.045 0.000 0.806 47 L CB 0.928 42.804 42.059 -0.305 0.000 1.146 47 L HN 0.181 nan 8.230 nan 0.000 0.447 48 T N 1.444 116.044 114.554 0.076 0.000 2.795 48 T HA 0.355 4.705 4.350 -0.000 0.000 0.282 48 T C -0.018 174.758 174.700 0.127 0.000 0.980 48 T CA -0.487 61.654 62.100 0.068 0.000 1.012 48 T CB 1.786 70.686 68.868 0.053 0.000 0.936 48 T HN 0.193 nan 8.240 nan 0.000 0.457 49 V N 3.506 123.469 119.914 0.081 0.000 2.555 49 V HA 0.427 4.547 4.120 -0.000 0.000 0.286 49 V C 1.268 177.436 176.094 0.123 0.000 1.044 49 V CA -0.193 62.190 62.300 0.138 0.000 1.026 49 V CB 0.900 32.770 31.823 0.080 0.000 0.981 49 V HN 1.051 nan 8.190 nan 0.000 0.480 50 G N 3.089 111.978 108.800 0.147 0.000 2.553 50 G HA2 0.162 4.122 3.960 -0.000 0.000 0.278 50 G HA3 0.162 4.122 3.960 -0.000 0.000 0.278 50 G C 0.542 175.482 174.900 0.067 0.000 1.349 50 G CA 0.267 45.418 45.100 0.085 0.000 1.037 50 G HN 0.921 nan 8.290 nan 0.000 0.508 51 D N -2.366 118.057 120.400 0.039 0.000 2.312 51 D HA -0.094 4.546 4.640 -0.000 0.000 0.211 51 D C 2.032 178.344 176.300 0.020 0.000 0.964 51 D CA 1.350 55.366 54.000 0.026 0.000 0.877 51 D CB -0.115 40.693 40.800 0.013 0.000 0.924 51 D HN 0.408 nan 8.370 nan 0.000 0.515 52 T N -3.906 110.660 114.554 0.019 0.000 3.113 52 T HA 0.265 4.615 4.350 -0.000 0.000 0.256 52 T C 1.922 176.635 174.700 0.021 0.000 1.131 52 T CA 0.243 62.344 62.100 0.001 0.000 1.074 52 T CB -0.215 68.636 68.868 -0.028 0.000 0.944 52 T HN 0.395 nan 8.240 nan 0.000 0.516 53 G N 0.274 109.116 108.800 0.071 0.000 2.155 53 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.257 53 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.257 53 G C 0.089 175.097 174.900 0.179 0.000 0.983 53 G CA 0.328 45.499 45.100 0.118 0.000 0.676 53 G HN 0.944 nan 8.290 nan 0.000 0.528 54 S N -0.999 114.762 115.700 0.101 0.000 2.542 54 S HA 0.908 5.378 4.470 -0.000 0.000 0.293 54 S C 0.228 174.670 174.600 -0.264 0.000 1.089 54 S CA 0.739 58.886 58.200 -0.089 0.000 0.961 54 S CB 1.858 64.995 63.200 -0.105 0.000 1.062 54 S HN 1.792 nan 8.310 nan 0.000 0.483 55 G N 1.165 109.413 108.800 -0.920 0.000 2.548 55 G HA2 0.603 4.563 3.960 -0.000 0.000 0.301 55 G HA3 0.603 4.563 3.960 -0.000 0.000 0.301 55 G C -2.414 172.226 174.900 -0.435 0.000 1.349 55 G CA -0.549 44.207 45.100 -0.573 0.000 0.792 55 G HN 0.851 nan 8.290 nan 0.000 0.481 56 L N -0.157 121.087 121.223 0.034 0.000 2.464 56 L HA 0.773 5.113 4.340 -0.000 0.000 0.266 56 L C -1.243 175.715 176.870 0.145 0.000 0.965 56 L CA -0.627 54.239 54.840 0.042 0.000 0.833 56 L CB 1.825 43.795 42.059 -0.149 0.000 1.296 56 L HN 0.511 nan 8.230 nan 0.000 0.405 57 I N 5.239 125.817 120.570 0.013 0.000 2.378 57 I HA 0.470 4.640 4.170 -0.000 0.000 0.291 57 I C -0.735 175.145 176.117 -0.395 0.000 0.992 57 I CA -0.977 60.194 61.300 -0.215 0.000 1.154 57 I CB 1.969 39.694 38.000 -0.459 0.000 1.315 57 I HN 0.237 nan 8.210 nan 0.000 0.448 58 V N 7.093 126.744 119.914 -0.438 0.000 2.350 58 V HA 0.381 4.501 4.120 -0.000 0.000 0.276 58 V C -0.353 175.273 176.094 -0.780 0.000 1.028 58 V CA -0.326 61.666 62.300 -0.512 0.000 0.860 58 V CB 0.949 32.513 31.823 -0.432 0.000 0.990 58 V HN 0.412 nan 8.190 nan 0.000 0.453 59 F N 4.057 123.701 119.950 -0.511 0.000 2.450 59 F HA 0.575 5.102 4.527 0.000 0.000 0.332 59 F C -0.023 175.413 175.800 -0.606 0.000 1.093 59 F CA -0.645 57.062 58.000 -0.489 0.000 1.003 59 F CB 1.855 40.737 39.000 -0.196 0.000 1.151 59 F HN 0.370 nan 8.300 nan 0.000 0.474 60 F N 3.951 124.073 119.950 0.286 0.000 2.334 60 F HA 0.252 4.779 4.527 -0.000 0.000 0.343 60 F C -1.502 174.434 175.800 0.227 0.000 1.136 60 F CA -1.783 56.355 58.000 0.231 0.000 1.237 60 F CB 0.173 39.316 39.000 0.238 0.000 1.525 60 F HN 0.288 nan 8.300 nan 0.000 0.528 61 P HA -0.199 nan 4.420 nan 0.000 0.217 61 P C 1.363 178.747 177.300 0.139 0.000 1.151 61 P CA 1.634 64.801 63.100 0.111 0.000 0.849 61 P CB 0.282 32.002 31.700 0.033 0.000 0.787 62 G N -1.871 107.038 108.800 0.182 0.000 3.337 62 G HA2 0.063 4.023 3.960 -0.000 0.000 0.246 62 G HA3 0.063 4.023 3.960 -0.000 0.000 0.246 62 G C -0.134 174.893 174.900 0.211 0.000 1.131 62 G CA -0.474 44.713 45.100 0.145 0.000 0.773 62 G HN 0.151 nan 8.290 nan 0.000 0.544 63 F N 3.196 123.272 119.950 0.210 0.000 2.590 63 F HA 0.232 4.759 4.527 -0.000 0.000 0.389 63 F C -1.453 174.489 175.800 0.238 0.000 1.049 63 F CA -2.325 55.805 58.000 0.217 0.000 1.199 63 F CB 0.999 40.138 39.000 0.232 0.000 1.058 63 F HN -0.022 nan 8.300 nan 0.000 0.556 64 P HA 0.314 nan 4.420 nan 0.000 0.231 64 P C -0.071 177.112 177.300 -0.196 0.000 1.811 64 P CA 0.370 63.364 63.100 -0.178 0.000 1.051 64 P CB 0.175 31.726 31.700 -0.249 0.000 1.951 65 G N 0.464 109.424 108.800 0.267 0.000 2.368 65 G HA2 0.003 3.963 3.960 -0.000 0.000 0.269 65 G HA3 0.003 3.963 3.960 -0.000 0.000 0.269 65 G C 0.251 175.418 174.900 0.444 0.000 1.291 65 G CA -0.366 44.880 45.100 0.243 0.000 0.903 65 G HN -0.046 nan 8.290 nan 0.000 0.483 66 S N -0.229 115.650 115.700 0.298 0.000 2.603 66 S HA 0.241 4.711 4.470 -0.000 0.000 0.220 66 S C 0.991 175.669 174.600 0.129 0.000 0.967 66 S CA 0.146 58.465 58.200 0.199 0.000 0.920 66 S CB -0.282 62.981 63.200 0.104 0.000 0.773 66 S HN 0.361 nan 8.310 nan 0.000 0.529 67 I N 1.648 122.159 120.570 -0.098 0.000 2.322 67 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 67 I C 0.894 176.985 176.117 -0.043 0.000 1.060 67 I CA -0.215 60.881 61.300 -0.339 0.000 1.309 67 I CB 1.195 38.575 38.000 -1.035 0.000 1.415 67 I HN -0.047 nan 8.210 nan 0.000 0.492 68 V N 5.617 125.627 119.914 0.159 0.000 2.685 68 V HA 0.336 4.456 4.120 -0.000 0.000 0.244 68 V C 1.045 177.362 176.094 0.372 0.000 1.054 68 V CA 1.223 63.702 62.300 0.298 0.000 1.076 68 V CB 0.264 32.258 31.823 0.285 0.000 0.725 68 V HN 0.982 nan 8.190 nan 0.000 0.467 69 G N -1.311 107.622 108.800 0.222 0.000 2.341 69 G HA2 0.650 4.610 3.960 -0.000 0.000 0.299 69 G HA3 0.650 4.610 3.960 -0.000 0.000 0.299 69 G C -1.869 173.005 174.900 -0.043 0.000 1.274 69 G CA 0.103 45.185 45.100 -0.030 0.000 0.853 69 G HN 0.614 nan 8.290 nan 0.000 0.493 70 A N -0.510 122.197 122.820 -0.188 0.000 2.455 70 A HA 0.785 5.105 4.320 -0.000 0.000 0.300 70 A C -1.141 176.296 177.584 -0.246 0.000 1.040 70 A CA -0.435 51.528 52.037 -0.123 0.000 0.697 70 A CB 1.359 20.402 19.000 0.072 0.000 1.265 70 A HN 1.165 nan 8.150 nan 0.000 0.407 71 H N 1.354 120.144 119.070 -0.466 0.000 2.457 71 H HA 0.665 5.221 4.556 -0.000 0.000 0.335 71 H C -1.742 173.313 175.328 -0.454 0.000 1.115 71 H CA -0.376 55.456 56.048 -0.361 0.000 1.219 71 H CB 0.874 30.457 29.762 -0.298 0.000 1.471 71 H HN 0.624 nan 8.280 nan 0.000 0.491 72 Y N 2.002 122.203 120.300 -0.166 0.000 2.442 72 Y HA 0.177 4.727 4.550 -0.000 0.000 0.344 72 Y C 0.169 175.964 175.900 -0.176 0.000 0.976 72 Y CA -0.845 57.163 58.100 -0.154 0.000 1.040 72 Y CB 2.261 40.746 38.460 0.042 0.000 1.228 72 Y HN 0.608 nan 8.280 nan 0.000 0.451 73 T N 0.509 115.065 114.554 0.005 0.000 2.907 73 T HA 0.568 4.918 4.350 -0.000 0.000 0.284 73 T C -0.865 173.954 174.700 0.198 0.000 1.004 73 T CA -0.785 61.352 62.100 0.061 0.000 1.063 73 T CB 1.470 70.330 68.868 -0.013 0.000 0.992 73 T HN 0.418 nan 8.240 nan 0.000 0.483 74 L N 2.402 123.688 121.223 0.105 0.000 2.305 74 L HA 0.385 4.725 4.340 -0.000 0.000 0.281 74 L C 0.116 176.938 176.870 -0.080 0.000 1.085 74 L CA 0.055 54.841 54.840 -0.089 0.000 0.813 74 L CB 0.757 42.701 42.059 -0.192 0.000 1.157 74 L HN 0.764 nan 8.230 nan 0.000 0.436 75 Q N 2.301 122.033 119.800 -0.113 0.000 2.193 75 Q HA 0.308 4.648 4.340 -0.000 0.000 0.246 75 Q C 1.132 177.078 176.000 -0.090 0.000 0.959 75 Q CA -0.325 55.435 55.803 -0.072 0.000 0.904 75 Q CB 1.329 30.036 28.738 -0.051 0.000 1.238 75 Q HN 0.797 nan 8.270 nan 0.000 0.469 76 S N 1.444 117.108 115.700 -0.060 0.000 2.387 76 S HA -0.183 4.287 4.470 -0.000 0.000 0.230 76 S C 1.279 175.837 174.600 -0.070 0.000 1.035 76 S CA 1.668 59.833 58.200 -0.058 0.000 1.014 76 S CB -0.338 62.839 63.200 -0.039 0.000 0.836 76 S HN 0.727 nan 8.310 nan 0.000 0.466 77 N N 1.301 119.958 118.700 -0.071 0.000 2.521 77 N HA 0.057 4.797 4.740 -0.000 0.000 0.188 77 N C 1.158 176.605 175.510 -0.104 0.000 1.146 77 N CA 0.913 53.918 53.050 -0.075 0.000 0.893 77 N CB -0.326 38.123 38.487 -0.063 0.000 0.975 77 N HN 0.533 nan 8.380 nan 0.000 0.451 78 G N -0.139 108.577 108.800 -0.139 0.000 2.176 78 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 78 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 78 G C -0.184 174.553 174.900 -0.271 0.000 0.979 78 G CA -0.101 44.881 45.100 -0.196 0.000 0.641 78 G HN 0.461 nan 8.290 nan 0.000 0.530 79 N N -0.346 118.220 118.700 -0.224 0.000 2.492 79 N HA 0.586 5.326 4.740 -0.000 0.000 0.289 79 N C -0.255 175.112 175.510 -0.238 0.000 1.133 79 N CA -0.279 52.639 53.050 -0.221 0.000 0.961 79 N CB 0.667 39.085 38.487 -0.115 0.000 1.186 79 N HN 0.226 nan 8.380 nan 0.000 0.493 80 Y N 0.263 120.475 120.300 -0.147 0.000 2.354 80 Y HA 0.285 4.834 4.550 -0.000 0.000 0.322 80 Y C 0.915 176.833 175.900 0.030 0.000 1.253 80 Y CA -0.098 57.962 58.100 -0.066 0.000 1.272 80 Y CB 1.242 39.611 38.460 -0.151 0.000 1.255 80 Y HN 0.113 nan 8.280 nan 0.000 0.500 81 K N 2.719 123.322 120.400 0.338 0.000 2.507 81 K HA 0.223 4.543 4.320 -0.000 0.000 0.251 81 K C -1.589 175.223 176.600 0.354 0.000 0.943 81 K CA -0.801 55.652 56.287 0.277 0.000 0.794 81 K CB 1.118 33.696 32.500 0.130 0.000 1.188 81 K HN 0.557 nan 8.250 nan 0.000 0.428 82 F N 3.587 123.680 119.950 0.238 0.000 2.572 82 F HA 0.001 4.528 4.527 -0.000 0.000 0.370 82 F C 0.917 176.648 175.800 -0.115 0.000 1.103 82 F CA 0.549 58.555 58.000 0.010 0.000 1.286 82 F CB 0.828 39.855 39.000 0.046 0.000 1.105 82 F HN 0.783 nan 8.300 nan 0.000 0.583 83 D N 2.281 122.034 120.400 -1.079 0.000 3.012 83 D HA 0.124 4.764 4.640 -0.000 0.000 0.284 83 D C -0.620 174.998 176.300 -1.136 0.000 1.259 83 D CA 0.923 54.431 54.000 -0.820 0.000 1.036 83 D CB 0.249 40.711 40.800 -0.563 0.000 1.167 83 D HN 0.680 nan 8.370 nan 0.000 0.429 84 Q N -1.140 117.898 119.800 -1.271 0.000 2.702 84 Q HA 0.307 4.647 4.340 -0.000 0.000 0.289 84 Q C -1.199 174.566 176.000 -0.393 0.000 0.923 84 Q CA -1.017 54.313 55.803 -0.789 0.000 0.787 84 Q CB 0.997 29.546 28.738 -0.316 0.000 1.476 84 Q HN -0.042 nan 8.270 nan 0.000 0.402 85 M N 1.380 120.965 119.600 -0.026 0.000 2.247 85 M HA 0.459 4.939 4.480 -0.000 0.000 0.326 85 M C -0.618 175.566 176.300 -0.193 0.000 1.134 85 M CA -0.265 55.046 55.300 0.019 0.000 1.136 85 M CB 0.345 33.009 32.600 0.106 0.000 1.454 85 M HN 0.642 nan 8.290 nan 0.000 0.467 86 L N 3.588 124.670 121.223 -0.235 0.000 2.319 86 L HA 0.556 4.896 4.340 -0.000 0.000 0.281 86 L C -0.479 176.376 176.870 -0.025 0.000 1.005 86 L CA -0.306 54.233 54.840 -0.502 0.000 0.828 86 L CB 1.055 42.794 42.059 -0.534 0.000 1.227 86 L HN 0.571 nan 8.230 nan 0.000 0.415 87 L N 1.025 122.383 121.223 0.226 0.000 2.293 87 L HA 0.680 5.020 4.340 -0.000 0.000 0.264 87 L C 0.605 177.664 176.870 0.315 0.000 1.029 87 L CA -0.838 54.151 54.840 0.247 0.000 0.897 87 L CB 1.820 43.997 42.059 0.197 0.000 1.497 87 L HN 0.539 nan 8.230 nan 0.000 0.495 88 T N -2.792 111.898 114.554 0.226 0.000 2.881 88 T HA 0.441 4.791 4.350 -0.000 0.000 0.278 88 T C 0.982 175.765 174.700 0.139 0.000 0.982 88 T CA -0.103 62.117 62.100 0.201 0.000 0.989 88 T CB 1.560 70.552 68.868 0.207 0.000 1.058 88 T HN 0.618 nan 8.240 nan 0.000 0.529 89 A N 0.960 123.840 122.820 0.099 0.000 1.917 89 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 89 A C 1.280 178.899 177.584 0.058 0.000 1.182 89 A CA 1.625 53.692 52.037 0.049 0.000 0.633 89 A CB -0.916 18.108 19.000 0.040 0.000 0.819 89 A HN 0.983 nan 8.150 nan 0.000 0.448 90 Q N -1.561 118.285 119.800 0.077 0.000 2.416 90 Q HA 0.520 4.860 4.340 -0.000 0.000 0.279 90 Q C -0.950 175.096 176.000 0.076 0.000 1.101 90 Q CA -0.956 54.889 55.803 0.071 0.000 0.830 90 Q CB 0.750 29.534 28.738 0.077 0.000 1.402 90 Q HN 0.188 nan 8.270 nan 0.000 0.445 91 N N 1.317 120.056 118.700 0.066 0.000 2.439 91 N HA 0.135 4.875 4.740 -0.000 0.000 0.243 91 N C 0.318 175.869 175.510 0.068 0.000 1.088 91 N CA -0.098 52.988 53.050 0.061 0.000 0.940 91 N CB 0.359 38.875 38.487 0.048 0.000 1.180 91 N HN 0.797 nan 8.380 nan 0.000 0.505 92 L N 4.241 125.499 121.223 0.058 0.000 2.042 92 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 92 L C -0.663 176.279 176.870 0.121 0.000 1.076 92 L CA 1.164 56.059 54.840 0.091 0.000 0.749 92 L CB -1.182 40.821 42.059 -0.093 0.000 0.893 92 L HN 0.521 nan 8.230 nan 0.000 0.432 93 P HA -0.149 nan 4.420 nan 0.000 0.223 93 P C 1.180 178.489 177.300 0.015 0.000 1.144 93 P CA 1.379 64.497 63.100 0.030 0.000 0.783 93 P CB -0.013 31.694 31.700 0.013 0.000 0.771 94 A N -1.328 121.504 122.820 0.020 0.000 2.119 94 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 94 A C 2.073 179.622 177.584 -0.058 0.000 1.152 94 A CA 1.527 53.556 52.037 -0.012 0.000 0.708 94 A CB -0.634 18.364 19.000 -0.002 0.000 0.805 94 A HN 0.132 nan 8.150 nan 0.000 0.460 95 S N -2.645 113.006 115.700 -0.081 0.000 2.589 95 S HA 0.357 4.827 4.470 -0.000 0.000 0.235 95 S C -0.526 173.749 174.600 -0.542 0.000 1.051 95 S CA -0.253 57.753 58.200 -0.322 0.000 0.978 95 S CB 0.166 63.108 63.200 -0.430 0.000 0.929 95 S HN 0.510 nan 8.310 nan 0.000 0.523 96 Y N 0.656 120.938 120.300 -0.029 0.000 2.545 96 Y HA 0.508 5.058 4.550 -0.000 0.000 0.348 96 Y C 0.631 176.494 175.900 -0.063 0.000 1.002 96 Y CA -1.078 57.009 58.100 -0.022 0.000 1.039 96 Y CB 1.083 39.535 38.460 -0.014 0.000 1.271 96 Y HN -0.164 nan 8.280 nan 0.000 0.467 97 N N -0.173 118.587 118.700 0.099 0.000 2.348 97 N HA 0.109 4.848 4.740 -0.000 0.000 0.183 97 N C -1.270 173.994 175.510 -0.410 0.000 1.094 97 N CA 0.398 53.344 53.050 -0.174 0.000 0.885 97 N CB 0.534 38.894 38.487 -0.212 0.000 1.065 97 N HN 0.533 nan 8.380 nan 0.000 0.472 98 Y N -1.055 119.315 120.300 0.117 0.000 2.545 98 Y HA 0.545 5.095 4.550 -0.000 0.000 0.348 98 Y C -0.236 175.758 175.900 0.155 0.000 1.002 98 Y CA -1.175 57.007 58.100 0.137 0.000 1.039 98 Y CB 2.138 40.712 38.460 0.190 0.000 1.271 98 Y HN -0.144 nan 8.280 nan 0.000 0.467 99 C N 2.441 121.898 119.300 0.262 0.000 3.239 99 C HA 0.852 5.312 4.460 -0.000 0.000 0.317 99 C C -1.638 173.275 174.990 -0.128 0.000 1.310 99 C CA -0.690 58.357 59.018 0.048 0.000 1.371 99 C CB 1.934 29.622 27.740 -0.087 0.000 1.714 99 C HN 1.033 nan 8.230 nan 0.000 0.473 100 R N 2.377 122.785 120.500 -0.153 0.000 2.604 100 R HA 0.664 5.004 4.340 -0.000 0.000 0.281 100 R C -1.706 174.638 176.300 0.072 0.000 1.020 100 R CA -0.668 55.327 56.100 -0.175 0.000 0.899 100 R CB 1.760 31.732 30.300 -0.547 0.000 1.205 100 R HN 0.751 nan 8.270 nan 0.000 0.450 101 L N 4.485 125.775 121.223 0.112 0.000 2.319 101 L HA 0.233 4.573 4.340 -0.000 0.000 0.280 101 L C 0.085 176.965 176.870 0.016 0.000 1.099 101 L CA 0.487 55.356 54.840 0.048 0.000 0.828 101 L CB 1.630 43.723 42.059 0.056 0.000 1.150 101 L HN 0.621 nan 8.230 nan 0.000 0.442 102 V N 2.639 122.519 119.914 -0.057 0.000 2.521 102 V HA 0.278 4.398 4.120 -0.000 0.000 0.239 102 V C 0.569 176.702 176.094 0.065 0.000 1.053 102 V CA 1.146 63.492 62.300 0.078 0.000 1.073 102 V CB 0.190 32.051 31.823 0.064 0.000 0.746 102 V HN 0.942 nan 8.190 nan 0.000 0.476 103 S N -0.290 115.353 115.700 -0.095 0.000 2.567 103 S HA 0.758 5.228 4.470 -0.000 0.000 0.270 103 S C -0.909 173.586 174.600 -0.176 0.000 1.152 103 S CA -0.879 57.251 58.200 -0.116 0.000 0.835 103 S CB 2.860 65.972 63.200 -0.146 0.000 1.115 103 S HN 0.484 nan 8.310 nan 0.000 0.459 104 R N 0.159 120.571 120.500 -0.146 0.000 2.634 104 R HA 0.717 5.057 4.340 -0.000 0.000 0.263 104 R C -1.882 174.322 176.300 -0.161 0.000 1.060 104 R CA -0.023 55.984 56.100 -0.155 0.000 0.898 104 R CB 1.716 31.932 30.300 -0.141 0.000 1.253 104 R HN 1.414 nan 8.270 nan 0.000 0.461 105 S N 3.963 119.558 115.700 -0.175 0.000 2.535 105 S HA 0.660 5.130 4.470 -0.000 0.000 0.272 105 S C -1.644 172.818 174.600 -0.230 0.000 1.149 105 S CA -0.795 57.267 58.200 -0.230 0.000 0.888 105 S CB 1.441 64.491 63.200 -0.249 0.000 1.110 105 S HN 0.490 nan 8.310 nan 0.000 0.463 106 L N 2.545 123.587 121.223 -0.301 0.000 2.422 106 L HA 0.765 5.105 4.340 -0.000 0.000 0.264 106 L C -0.197 176.553 176.870 -0.201 0.000 0.984 106 L CA -0.706 53.972 54.840 -0.270 0.000 0.819 106 L CB 2.761 44.512 42.059 -0.515 0.000 1.330 106 L HN 0.961 nan 8.230 nan 0.000 0.410 107 T N -0.652 113.850 114.554 -0.087 0.000 2.885 107 T HA 0.804 5.154 4.350 -0.000 0.000 0.285 107 T C -0.754 173.967 174.700 0.035 0.000 1.019 107 T CA -0.767 61.312 62.100 -0.034 0.000 1.010 107 T CB 1.954 70.810 68.868 -0.019 0.000 1.022 107 T HN 0.222 nan 8.240 nan 0.000 0.466 108 V N 4.045 123.997 119.914 0.062 0.000 2.443 108 V HA 0.757 4.877 4.120 -0.000 0.000 0.293 108 V C -0.110 176.014 176.094 0.049 0.000 1.021 108 V CA -0.858 61.490 62.300 0.081 0.000 0.848 108 V CB 1.209 33.119 31.823 0.145 0.000 0.998 108 V HN 1.168 nan 8.190 nan 0.000 0.424 109 R N 2.476 122.987 120.500 0.018 0.000 2.710 109 R HA 0.720 5.060 4.340 -0.000 0.000 0.270 109 R C -0.689 175.597 176.300 -0.024 0.000 1.021 109 R CA -0.582 55.523 56.100 0.009 0.000 0.889 109 R CB 1.907 32.220 30.300 0.022 0.000 1.243 109 R HN 0.604 nan 8.270 nan 0.000 0.464 110 S N 0.166 115.850 115.700 -0.028 0.000 2.601 110 S HA 0.255 4.725 4.470 -0.000 0.000 0.271 110 S C 0.467 175.053 174.600 -0.022 0.000 1.305 110 S CA -0.026 58.147 58.200 -0.045 0.000 1.022 110 S CB 1.386 64.560 63.200 -0.044 0.000 0.940 110 S HN 0.847 nan 8.310 nan 0.000 0.525 111 S N 0.149 115.834 115.700 -0.025 0.000 2.847 111 S HA 0.328 4.798 4.470 -0.000 0.000 0.254 111 S C 0.262 174.856 174.600 -0.011 0.000 1.039 111 S CA -0.442 57.751 58.200 -0.012 0.000 1.113 111 S CB 0.037 63.230 63.200 -0.011 0.000 1.092 111 S HN 0.691 nan 8.310 nan 0.000 0.620 121 N N -0.007 118.704 118.700 0.019 0.000 3.507 121 N HA 0.584 5.324 4.740 -0.000 0.000 0.212 121 N C -0.351 175.175 175.510 0.026 0.000 1.340 121 N CA -0.218 52.843 53.050 0.018 0.000 0.844 121 N CB 1.348 39.843 38.487 0.013 0.000 1.647 121 N HN 1.898 nan 8.380 nan 0.000 0.694 122 G N 0.756 109.572 108.800 0.028 0.000 2.612 122 G HA2 0.260 4.220 3.960 -0.000 0.000 0.686 122 G HA3 0.260 4.220 3.960 -0.000 0.000 0.686 122 G C -0.658 174.283 174.900 0.069 0.000 1.274 122 G CA -0.418 44.705 45.100 0.040 0.000 0.849 122 G HN 1.349 nan 8.290 nan 0.000 0.595 123 T N -2.160 112.452 114.554 0.096 0.000 2.864 123 T HA 0.794 5.144 4.350 -0.000 0.000 0.299 123 T C -0.435 174.467 174.700 0.338 0.000 1.166 123 T CA -0.770 61.439 62.100 0.182 0.000 1.007 123 T CB 2.216 71.200 68.868 0.194 0.000 1.219 123 T HN 1.089 nan 8.240 nan 0.000 0.506 124 I N 1.558 122.337 120.570 0.350 0.000 2.545 124 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 124 I C -0.934 175.288 176.117 0.175 0.000 1.040 124 I CA -0.975 60.536 61.300 0.352 0.000 1.068 124 I CB 2.204 40.337 38.000 0.223 0.000 1.251 124 I HN 0.560 nan 8.210 nan 0.000 0.424 125 N N 4.013 122.679 118.700 -0.058 0.000 2.284 125 N HA 0.827 5.567 4.740 -0.000 0.000 0.300 125 N C -1.258 174.170 175.510 -0.136 0.000 1.047 125 N CA -0.461 52.406 53.050 -0.305 0.000 0.821 125 N CB 2.334 40.285 38.487 -0.893 0.000 1.337 125 N HN 0.710 nan 8.380 nan 0.000 0.482 126 A N 0.800 123.570 122.820 -0.083 0.000 2.549 126 A HA 0.813 5.133 4.320 -0.000 0.000 0.297 126 A C -1.409 176.151 177.584 -0.040 0.000 1.061 126 A CA -0.660 51.359 52.037 -0.030 0.000 0.690 126 A CB 1.520 20.538 19.000 0.030 0.000 1.287 126 A HN 0.436 nan 8.150 nan 0.000 0.402 127 V N 0.550 120.452 119.914 -0.020 0.000 3.077 127 V HA 0.733 4.853 4.120 -0.000 0.000 0.299 127 V C -1.052 175.060 176.094 0.029 0.000 1.276 127 V CA -0.221 62.072 62.300 -0.011 0.000 0.993 127 V CB 2.631 34.442 31.823 -0.021 0.000 1.076 127 V HN 1.061 nan 8.190 nan 0.000 0.434 128 T N 6.246 120.820 114.554 0.034 0.000 2.788 128 T HA 0.493 4.843 4.350 -0.000 0.000 0.296 128 T C -0.900 173.874 174.700 0.122 0.000 1.009 128 T CA 0.027 62.162 62.100 0.058 0.000 0.949 128 T CB 0.586 69.456 68.868 0.003 0.000 0.946 128 T HN 0.524 nan 8.240 nan 0.000 0.453 129 F N 2.850 122.786 119.950 -0.023 0.000 2.408 129 F HA 0.316 4.843 4.527 -0.000 0.000 0.344 129 F C 1.209 177.005 175.800 -0.005 0.000 1.112 129 F CA -1.045 56.945 58.000 -0.016 0.000 1.096 129 F CB 1.315 40.307 39.000 -0.013 0.000 1.129 129 F HN 0.497 nan 8.300 nan 0.000 0.486 130 Q N 3.861 123.300 119.800 -0.602 0.000 2.431 130 Q HA 0.173 4.513 4.340 -0.000 0.000 0.210 130 Q C 0.661 176.226 176.000 -0.725 0.000 0.958 130 Q CA 0.306 55.791 55.803 -0.530 0.000 0.957 130 Q CB 0.197 28.740 28.738 -0.325 0.000 1.007 130 Q HN 0.894 nan 8.270 nan 0.000 0.511 131 G N 0.222 108.202 108.800 -1.366 0.000 3.107 131 G HA2 0.423 4.383 3.960 -0.000 0.000 0.232 131 G HA3 0.423 4.383 3.960 -0.000 0.000 0.232 131 G C -0.552 174.270 174.900 -0.129 0.000 1.339 131 G CA -0.473 44.223 45.100 -0.673 0.000 1.033 131 G HN 0.207 nan 8.290 nan 0.000 0.567 132 S N -1.073 114.707 115.700 0.133 0.000 2.722 132 S HA 0.387 4.857 4.470 -0.000 0.000 0.292 132 S C 1.283 176.074 174.600 0.319 0.000 1.135 132 S CA -0.513 57.824 58.200 0.229 0.000 1.003 132 S CB 1.591 64.901 63.200 0.183 0.000 1.067 132 S HN 0.631 nan 8.310 nan 0.000 0.546 133 L N 1.910 123.286 121.223 0.254 0.000 2.010 133 L HA -0.187 4.152 4.340 -0.000 0.000 0.219 133 L C 2.588 179.535 176.870 0.127 0.000 1.077 133 L CA 2.847 57.772 54.840 0.143 0.000 0.773 133 L CB -1.372 40.728 42.059 0.069 0.000 0.892 133 L HN 1.018 nan 8.230 nan 0.000 0.436 134 S N -1.830 113.961 115.700 0.151 0.000 2.507 134 S HA -0.147 4.323 4.470 -0.000 0.000 0.235 134 S C 1.613 176.296 174.600 0.138 0.000 0.988 134 S CA 1.111 59.395 58.200 0.139 0.000 0.944 134 S CB -0.669 62.596 63.200 0.109 0.000 0.762 134 S HN 0.694 nan 8.310 nan 0.000 0.526 135 E N 0.394 120.720 120.200 0.211 0.000 2.435 135 E HA 0.228 4.578 4.350 -0.000 0.000 0.195 135 E C -0.145 176.545 176.600 0.151 0.000 1.029 135 E CA -0.193 56.358 56.400 0.251 0.000 0.865 135 E CB -0.082 29.841 29.700 0.372 0.000 0.833 135 E HN 0.542 nan 8.360 nan 0.000 0.510 136 L N 1.608 122.786 121.223 -0.075 0.000 2.499 136 L HA -0.035 4.305 4.340 -0.000 0.000 0.273 136 L C 1.737 178.501 176.870 -0.177 0.000 1.195 136 L CA 0.230 54.806 54.840 -0.439 0.000 0.882 136 L CB 0.723 42.507 42.059 -0.458 0.000 1.133 136 L HN 0.147 nan 8.230 nan 0.000 0.483 137 T N -2.542 111.902 114.554 -0.183 0.000 3.067 137 T HA 0.036 4.386 4.350 -0.000 0.000 0.257 137 T C 0.302 174.961 174.700 -0.069 0.000 1.105 137 T CA 0.093 62.146 62.100 -0.078 0.000 1.104 137 T CB 0.137 68.974 68.868 -0.051 0.000 0.925 137 T HN 0.530 nan 8.240 nan 0.000 0.498 138 D N 0.841 121.181 120.400 -0.099 0.000 2.891 138 D HA 0.261 4.901 4.640 -0.000 0.000 0.224 138 D C 0.139 176.408 176.300 -0.052 0.000 1.321 138 D CA -0.657 53.309 54.000 -0.057 0.000 0.929 138 D CB 2.206 42.974 40.800 -0.053 0.000 1.551 138 D HN 0.072 nan 8.370 nan 0.000 0.574 139 V N 1.386 121.313 119.914 0.022 0.000 3.214 139 V HA 0.324 4.444 4.120 -0.000 0.000 0.330 139 V C 0.686 176.869 176.094 0.148 0.000 1.403 139 V CA -0.106 62.240 62.300 0.077 0.000 1.143 139 V CB -0.554 31.383 31.823 0.190 0.000 1.098 139 V HN 0.442 nan 8.190 nan 0.000 0.463 140 S N -0.839 114.914 115.700 0.089 0.000 2.593 140 S HA 0.295 4.765 4.470 -0.000 0.000 0.269 140 S C 0.794 175.460 174.600 0.110 0.000 1.334 140 S CA 0.143 58.404 58.200 0.103 0.000 1.015 140 S CB 0.745 63.975 63.200 0.050 0.000 0.912 140 S HN 0.456 nan 8.310 nan 0.000 0.541 141 Y N 2.352 122.667 120.300 0.025 0.000 2.069 141 Y HA -0.280 4.270 4.550 -0.000 0.000 0.278 141 Y C 2.089 177.994 175.900 0.009 0.000 1.175 141 Y CA 2.528 60.637 58.100 0.015 0.000 1.134 141 Y CB -0.410 38.052 38.460 0.003 0.000 0.965 141 Y HN 0.703 nan 8.280 nan 0.000 0.498 142 N N -0.348 118.422 118.700 0.118 0.000 2.376 142 N HA -0.042 4.698 4.740 -0.000 0.000 0.177 142 N C 1.990 177.480 175.510 -0.033 0.000 1.024 142 N CA 1.003 54.064 53.050 0.019 0.000 0.893 142 N CB -0.601 37.949 38.487 0.105 0.000 0.980 142 N HN 0.536 nan 8.380 nan 0.000 0.439 143 G N 1.807 110.599 108.800 -0.014 0.000 2.432 143 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 143 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 143 G C 1.654 176.515 174.900 -0.065 0.000 1.135 143 G CA 0.240 45.320 45.100 -0.032 0.000 0.767 143 G HN 0.208 nan 8.290 nan 0.000 0.550 144 L N 0.186 121.356 121.223 -0.087 0.000 2.127 144 L HA -0.105 4.234 4.340 -0.000 0.000 0.211 144 L C 2.810 179.620 176.870 -0.099 0.000 1.089 144 L CA 0.627 55.401 54.840 -0.109 0.000 0.757 144 L CB -0.405 41.577 42.059 -0.129 0.000 0.899 144 L HN 0.182 nan 8.230 nan 0.000 0.434 145 M N -1.023 118.515 119.600 -0.103 0.000 2.530 145 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 145 M C 1.859 178.129 176.300 -0.050 0.000 1.067 145 M CA 1.227 56.478 55.300 -0.081 0.000 1.071 145 M CB -1.030 31.521 32.600 -0.081 0.000 1.405 145 M HN 0.122 nan 8.290 nan 0.000 0.478 146 S N -0.292 115.380 115.700 -0.045 0.000 2.539 146 S HA 0.302 4.772 4.470 -0.000 0.000 0.221 146 S C 1.870 176.463 174.600 -0.012 0.000 0.987 146 S CA 0.359 58.544 58.200 -0.025 0.000 0.929 146 S CB 0.196 63.383 63.200 -0.023 0.000 0.832 146 S HN 0.506 nan 8.310 nan 0.000 0.492 147 A N 1.452 124.254 122.820 -0.029 0.000 2.032 147 A HA -0.043 4.277 4.320 -0.000 0.000 0.221 147 A C 1.389 179.066 177.584 0.155 0.000 1.165 147 A CA 1.712 53.747 52.037 -0.004 0.000 0.645 147 A CB -0.260 18.687 19.000 -0.087 0.000 0.807 147 A HN 0.424 nan 8.150 nan 0.000 0.453 148 T N -4.185 110.425 114.554 0.093 0.000 2.896 148 T HA 0.575 4.925 4.350 -0.000 0.000 0.297 148 T C 0.314 175.030 174.700 0.027 0.000 1.108 148 T CA 0.085 62.234 62.100 0.082 0.000 1.004 148 T CB 1.766 70.672 68.868 0.064 0.000 1.159 148 T HN 0.485 nan 8.240 nan 0.000 0.499 149 A N 2.439 125.267 122.820 0.012 0.000 2.303 149 A HA 0.338 4.658 4.320 -0.000 0.000 0.217 149 A C 0.581 178.152 177.584 -0.021 0.000 1.205 149 A CA -0.141 51.893 52.037 -0.005 0.000 0.875 149 A CB -0.165 18.832 19.000 -0.004 0.000 0.910 149 A HN 0.704 nan 8.150 nan 0.000 0.501 150 N N 0.778 119.460 118.700 -0.029 0.000 2.420 150 N HA 0.120 4.860 4.740 -0.000 0.000 0.262 150 N C 0.607 176.079 175.510 -0.063 0.000 1.144 150 N CA -0.234 52.787 53.050 -0.049 0.000 0.952 150 N CB 1.206 39.659 38.487 -0.058 0.000 1.081 150 N HN 0.210 nan 8.380 nan 0.000 0.480 151 I N 2.345 122.873 120.570 -0.069 0.000 2.454 151 I HA -0.157 4.012 4.170 -0.000 0.000 0.254 151 I C 1.068 177.112 176.117 -0.121 0.000 1.156 151 I CA 1.227 62.479 61.300 -0.080 0.000 1.433 151 I CB -0.113 37.846 38.000 -0.069 0.000 1.082 151 I HN 0.381 nan 8.210 nan 0.000 0.432 152 N N 0.633 119.246 118.700 -0.145 0.000 2.449 152 N HA -0.008 4.732 4.740 -0.000 0.000 0.191 152 N C 0.164 175.542 175.510 -0.220 0.000 1.161 152 N CA 0.457 53.375 53.050 -0.221 0.000 0.863 152 N CB -0.060 38.285 38.487 -0.237 0.000 0.980 152 N HN 0.406 nan 8.380 nan 0.000 0.458 153 D N 0.169 120.481 120.400 -0.146 0.000 2.571 153 D HA 0.064 4.704 4.640 -0.000 0.000 0.239 153 D C 0.196 176.446 176.300 -0.083 0.000 1.267 153 D CA 0.169 54.101 54.000 -0.114 0.000 0.823 153 D CB 0.911 41.666 40.800 -0.074 0.000 1.056 153 D HN 0.302 nan 8.370 nan 0.000 0.494 154 K N 0.099 120.440 120.400 -0.099 0.000 2.551 154 K HA 0.591 4.911 4.320 -0.000 0.000 0.269 154 K C -1.765 174.784 176.600 -0.085 0.000 0.949 154 K CA -0.779 55.462 56.287 -0.076 0.000 0.849 154 K CB 2.478 34.941 32.500 -0.061 0.000 1.411 154 K HN -0.139 nan 8.250 nan 0.000 0.432 155 I N 0.374 120.905 120.570 -0.066 0.000 2.722 155 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 155 I C -1.222 174.871 176.117 -0.041 0.000 1.267 155 I CA 0.014 61.286 61.300 -0.046 0.000 1.036 155 I CB 2.364 40.348 38.000 -0.027 0.000 1.281 155 I HN 0.871 nan 8.210 nan 0.000 0.423 156 G N 3.990 112.776 108.800 -0.023 0.000 2.542 156 G HA2 0.423 4.383 3.960 -0.000 0.000 0.311 156 G HA3 0.423 4.383 3.960 -0.000 0.000 0.311 156 G C -0.563 174.360 174.900 0.038 0.000 1.298 156 G CA -0.570 44.517 45.100 -0.021 0.000 0.973 156 G HN 0.648 nan 8.290 nan 0.000 0.487 157 N N -0.599 118.151 118.700 0.084 0.000 2.714 157 N HA -0.164 4.576 4.740 -0.000 0.000 0.252 157 N C 0.309 175.896 175.510 0.129 0.000 1.014 157 N CA 0.658 53.806 53.050 0.164 0.000 0.735 157 N CB -0.896 37.681 38.487 0.150 0.000 0.924 157 N HN 0.393 nan 8.380 nan 0.000 0.540 158 V N 1.017 121.005 119.914 0.123 0.000 2.614 158 V HA 0.133 4.253 4.120 -0.000 0.000 0.291 158 V C 1.367 177.531 176.094 0.117 0.000 1.049 158 V CA -0.581 61.784 62.300 0.109 0.000 1.038 158 V CB 1.159 33.045 31.823 0.105 0.000 0.980 158 V HN 0.174 nan 8.190 nan 0.000 0.481 159 L N 5.111 126.391 121.223 0.095 0.000 2.455 159 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 159 L C 1.513 178.432 176.870 0.082 0.000 1.174 159 L CA -0.205 54.685 54.840 0.084 0.000 0.869 159 L CB 0.841 42.939 42.059 0.065 0.000 1.130 159 L HN 0.695 nan 8.230 nan 0.000 0.474 160 V N 1.336 121.297 119.914 0.080 0.000 2.453 160 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 160 V C 2.209 178.327 176.094 0.040 0.000 1.068 160 V CA 1.986 64.323 62.300 0.062 0.000 1.070 160 V CB -1.362 30.485 31.823 0.039 0.000 0.664 160 V HN 1.050 nan 8.190 nan 0.000 0.461 161 G N -0.379 108.443 108.800 0.036 0.000 2.422 161 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 161 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 161 G C 1.484 176.406 174.900 0.036 0.000 1.140 161 G CA 0.818 45.935 45.100 0.028 0.000 0.775 161 G HN 0.605 nan 8.290 nan 0.000 0.545 162 E N -0.490 119.740 120.200 0.049 0.000 2.122 162 E HA 0.313 4.663 4.350 -0.000 0.000 0.190 162 E C 1.446 178.084 176.600 0.063 0.000 0.977 162 E CA 0.267 56.700 56.400 0.057 0.000 0.820 162 E CB 0.063 29.802 29.700 0.066 0.000 0.770 162 E HN 0.451 nan 8.360 nan 0.000 0.462 163 G N 0.321 109.161 108.800 0.067 0.000 2.781 163 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.683 163 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.683 163 G C -0.807 174.146 174.900 0.089 0.000 1.390 163 G CA -0.437 44.705 45.100 0.071 0.000 0.850 163 G HN 0.183 nan 8.290 nan 0.000 0.557 164 V N 0.311 120.277 119.914 0.087 0.000 2.864 164 V HA 0.873 4.993 4.120 -0.000 0.000 0.314 164 V C 0.323 176.450 176.094 0.055 0.000 1.073 164 V CA -0.013 62.344 62.300 0.096 0.000 0.956 164 V CB 2.480 34.367 31.823 0.107 0.000 1.023 164 V HN 1.247 nan 8.190 nan 0.000 0.435 165 T N 3.576 118.155 114.554 0.042 0.000 2.812 165 T HA 0.511 4.860 4.350 -0.000 0.000 0.282 165 T C -0.773 173.880 174.700 -0.077 0.000 0.990 165 T CA -0.277 61.757 62.100 -0.109 0.000 0.960 165 T CB 1.470 70.116 68.868 -0.371 0.000 0.948 165 T HN 0.374 nan 8.240 nan 0.000 0.438 166 V N 4.834 124.647 119.914 -0.167 0.000 2.364 166 V HA 0.476 4.596 4.120 -0.000 0.000 0.272 166 V C -0.312 175.652 176.094 -0.216 0.000 1.036 166 V CA -0.742 61.462 62.300 -0.161 0.000 0.880 166 V CB 1.106 32.749 31.823 -0.300 0.000 0.991 166 V HN 0.652 nan 8.190 nan 0.000 0.460 167 L N 4.772 125.931 121.223 -0.107 0.000 2.313 167 L HA 0.595 4.935 4.340 -0.000 0.000 0.283 167 L C 0.260 177.085 176.870 -0.076 0.000 1.013 167 L CA 0.381 55.148 54.840 -0.122 0.000 0.816 167 L CB 2.019 44.066 42.059 -0.020 0.000 1.236 167 L HN 0.606 nan 8.230 nan 0.000 0.419 168 S N 5.353 120.996 115.700 -0.095 0.000 2.474 168 S HA 0.554 5.024 4.470 -0.000 0.000 0.276 168 S C -0.409 174.163 174.600 -0.046 0.000 1.227 168 S CA -0.487 57.673 58.200 -0.065 0.000 1.050 168 S CB -0.161 62.999 63.200 -0.067 0.000 0.939 168 S HN 0.581 nan 8.310 nan 0.000 0.490 169 L N 6.496 127.693 121.223 -0.044 0.000 2.334 169 L HA 0.553 4.893 4.340 -0.000 0.000 0.273 169 L C -1.729 175.094 176.870 -0.077 0.000 1.013 169 L CA -2.313 52.500 54.840 -0.046 0.000 0.816 169 L CB 1.630 43.657 42.059 -0.052 0.000 1.278 169 L HN 0.532 nan 8.230 nan 0.000 0.431 170 P HA 0.030 nan 4.420 nan 0.000 0.267 170 P C -0.341 176.801 177.300 -0.263 0.000 1.200 170 P CA -0.049 62.889 63.100 -0.270 0.000 0.772 170 P CB 0.600 31.939 31.700 -0.601 0.000 0.855 171 T N -1.902 112.486 114.554 -0.277 0.000 3.514 171 T HA 0.481 4.831 4.350 -0.000 0.000 0.259 171 T C -0.186 174.345 174.700 -0.282 0.000 1.466 171 T CA -0.520 61.442 62.100 -0.229 0.000 1.562 171 T CB -0.968 67.800 68.868 -0.166 0.000 0.924 171 T HN 0.724 nan 8.240 nan 0.000 0.678 172 S N 0.378 115.864 115.700 -0.356 0.000 2.922 172 S HA -0.069 4.401 4.470 -0.000 0.000 0.854 172 S C -1.130 173.221 174.600 -0.415 0.000 0.921 172 S CA -0.781 57.225 58.200 -0.323 0.000 1.418 172 S CB -0.982 62.082 63.200 -0.227 0.000 1.015 172 S HN 0.683 nan 8.310 nan 0.000 0.230 173 Y N 1.580 121.835 120.300 -0.075 0.000 2.730 173 Y HA 0.503 5.053 4.550 -0.000 0.000 0.325 173 Y C 1.085 176.941 175.900 -0.074 0.000 1.132 173 Y CA -0.290 57.764 58.100 -0.077 0.000 1.206 173 Y CB 0.702 39.116 38.460 -0.077 0.000 1.390 173 Y HN 0.826 nan 8.280 nan 0.000 0.555 174 D N 0.808 121.297 120.400 0.150 0.000 2.772 174 D HA -0.182 4.458 4.640 -0.000 0.000 0.233 174 D C -1.070 175.258 176.300 0.047 0.000 1.143 174 D CA 0.748 54.789 54.000 0.068 0.000 0.700 174 D CB -1.045 39.785 40.800 0.050 0.000 1.076 174 D HN 0.265 nan 8.370 nan 0.000 0.430 175 L N -0.043 121.204 121.223 0.041 0.000 2.395 175 L HA 0.463 4.803 4.340 -0.000 0.000 0.269 175 L C 1.795 178.745 176.870 0.134 0.000 1.133 175 L CA -0.082 54.771 54.840 0.022 0.000 0.812 175 L CB 1.021 43.031 42.059 -0.082 0.000 1.125 175 L HN 0.032 nan 8.230 nan 0.000 0.452 176 G N 0.410 109.352 108.800 0.237 0.000 2.562 176 G HA2 0.241 4.201 3.960 -0.000 0.000 0.275 176 G HA3 0.241 4.201 3.960 -0.000 0.000 0.275 176 G C -0.990 174.057 174.900 0.245 0.000 1.196 176 G CA -0.352 44.897 45.100 0.248 0.000 0.908 176 G HN 0.315 nan 8.290 nan 0.000 0.524 177 Y N -0.903 119.428 120.300 0.050 0.000 2.411 177 Y HA 0.290 4.840 4.550 -0.000 0.000 0.333 177 Y C 0.825 176.735 175.900 0.016 0.000 1.186 177 Y CA 0.030 58.148 58.100 0.030 0.000 1.381 177 Y CB 1.210 39.647 38.460 -0.038 0.000 1.273 177 Y HN 0.135 nan 8.280 nan 0.000 0.546 178 V N 4.675 124.603 119.914 0.023 0.000 2.427 178 V HA 0.362 4.482 4.120 -0.000 0.000 0.286 178 V C -0.042 176.092 176.094 0.067 0.000 1.034 178 V CA -1.181 61.031 62.300 -0.147 0.000 0.893 178 V CB 1.456 32.941 31.823 -0.563 0.000 0.982 178 V HN 0.564 nan 8.190 nan 0.000 0.452 179 R N 3.152 123.661 120.500 0.015 0.000 2.442 179 R HA 0.249 4.589 4.340 -0.000 0.000 0.291 179 R C 0.550 176.729 176.300 -0.202 0.000 1.069 179 R CA 0.199 56.142 56.100 -0.263 0.000 1.022 179 R CB 0.259 30.425 30.300 -0.223 0.000 0.976 179 R HN 0.712 nan 8.270 nan 0.000 0.443 180 L N 3.706 124.796 121.223 -0.221 0.000 2.599 180 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 180 L C 1.109 177.943 176.870 -0.059 0.000 1.141 180 L CA 0.709 55.483 54.840 -0.110 0.000 0.877 180 L CB -0.080 41.934 42.059 -0.075 0.000 1.009 180 L HN 1.106 nan 8.230 nan 0.000 0.447 181 G N 0.749 109.501 108.800 -0.079 0.000 2.198 181 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 181 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 181 G C -0.004 174.872 174.900 -0.040 0.000 1.042 181 G CA 0.293 45.369 45.100 -0.040 0.000 0.791 181 G HN 0.571 nan 8.290 nan 0.000 0.502 182 D N -0.094 120.263 120.400 -0.071 0.000 2.362 182 D HA 0.380 5.020 4.640 -0.000 0.000 0.242 182 D C -2.446 173.824 176.300 -0.050 0.000 1.132 182 D CA -1.463 52.502 54.000 -0.059 0.000 0.907 182 D CB 0.967 41.717 40.800 -0.083 0.000 1.195 182 D HN 0.182 nan 8.370 nan 0.000 0.429 183 P HA 0.228 nan 4.420 nan 0.000 0.275 183 P C -0.300 176.979 177.300 -0.036 0.000 1.228 183 P CA -0.375 62.706 63.100 -0.031 0.000 0.786 183 P CB 0.678 32.364 31.700 -0.023 0.000 0.927 184 I N -0.630 119.921 120.570 -0.031 0.000 2.648 184 I HA 0.639 4.809 4.170 -0.000 0.000 0.304 184 I C -2.341 173.763 176.117 -0.022 0.000 1.009 184 I CA -3.220 58.062 61.300 -0.030 0.000 1.114 184 I CB 1.661 39.643 38.000 -0.030 0.000 1.293 184 I HN 0.112 nan 8.210 nan 0.000 0.449 185 P HA 0.300 nan 4.420 nan 0.000 0.264 185 P C -0.740 176.552 177.300 -0.014 0.000 1.193 185 P CA 0.161 63.252 63.100 -0.016 0.000 0.763 185 P CB 0.822 32.514 31.700 -0.014 0.000 0.810 186 A N 3.507 126.320 122.820 -0.012 0.000 2.599 186 A HA 0.703 5.023 4.320 -0.000 0.000 0.294 186 A C -0.892 176.687 177.584 -0.008 0.000 1.055 186 A CA -0.762 51.269 52.037 -0.010 0.000 0.683 186 A CB 1.114 20.108 19.000 -0.011 0.000 1.278 186 A HN 0.569 nan 8.150 nan 0.000 0.412 187 I N -0.960 119.606 120.570 -0.007 0.000 2.647 187 I HA 0.975 5.145 4.170 -0.000 0.000 0.295 187 I C -0.017 176.097 176.117 -0.005 0.000 1.078 187 I CA -0.855 60.441 61.300 -0.006 0.000 1.048 187 I CB 2.280 40.277 38.000 -0.005 0.000 1.239 187 I HN 1.071 nan 8.210 nan 0.000 0.421 188 G N 3.738 112.535 108.800 -0.004 0.000 2.677 188 G HA2 0.470 4.430 3.960 -0.000 0.000 0.291 188 G HA3 0.470 4.430 3.960 -0.000 0.000 0.291 188 G C -0.083 174.815 174.900 -0.003 0.000 1.435 188 G CA -0.883 44.215 45.100 -0.004 0.000 0.826 188 G HN 0.711 nan 8.290 nan 0.000 0.491 189 L N -0.433 120.789 121.223 -0.003 0.000 2.083 189 L HA 0.028 4.368 4.340 -0.000 0.000 0.209 189 L C 0.980 177.848 176.870 -0.003 0.000 1.083 189 L CA 0.793 55.631 54.840 -0.003 0.000 0.752 189 L CB 0.017 42.075 42.059 -0.003 0.000 0.899 189 L HN 0.388 nan 8.230 nan 0.000 0.433 190 D N -0.046 120.353 120.400 -0.003 0.000 2.317 190 D HA 0.083 4.723 4.640 -0.000 0.000 0.252 190 D C -1.691 174.608 176.300 -0.002 0.000 1.174 190 D CA -1.886 52.112 54.000 -0.002 0.000 0.866 190 D CB 1.722 42.520 40.800 -0.003 0.000 1.127 190 D HN -0.095 nan 8.370 nan 0.000 0.467 191 P HA -0.022 nan 4.420 nan 0.000 0.223 191 P C 0.499 177.799 177.300 -0.000 0.000 1.151 191 P CA 0.885 63.984 63.100 -0.001 0.000 0.787 191 P CB 0.295 31.995 31.700 -0.000 0.000 0.788 192 K N -1.033 119.367 120.400 -0.000 0.000 2.458 192 K HA 0.130 4.450 4.320 -0.000 0.000 0.194 192 K C 0.937 177.537 176.600 0.000 0.000 1.024 192 K CA -0.194 56.094 56.287 0.001 0.000 1.108 192 K CB -0.210 32.291 32.500 0.001 0.000 0.846 192 K HN 0.251 nan 8.250 nan 0.000 0.518 193 M N 1.983 121.583 119.600 -0.001 0.000 2.248 193 M HA 0.040 4.520 4.480 -0.000 0.000 0.345 193 M C -0.926 175.373 176.300 -0.002 0.000 1.243 193 M CA 0.615 55.914 55.300 -0.002 0.000 1.090 193 M CB 0.576 33.175 32.600 -0.003 0.000 1.683 193 M HN -0.220 nan 8.290 nan 0.000 0.450 194 V N 4.201 124.114 119.914 -0.002 0.000 2.789 194 V HA 0.864 4.984 4.120 -0.000 0.000 0.311 194 V C -0.745 175.346 176.094 -0.005 0.000 1.073 194 V CA -0.776 61.522 62.300 -0.003 0.000 0.921 194 V CB 1.813 33.636 31.823 0.000 0.000 1.009 194 V HN 0.984 nan 8.190 nan 0.000 0.426 195 A N 2.736 125.550 122.820 -0.009 0.000 2.402 195 A HA 0.914 5.234 4.320 -0.000 0.000 0.291 195 A C -0.361 177.211 177.584 -0.020 0.000 1.051 195 A CA -0.181 51.848 52.037 -0.014 0.000 0.716 195 A CB 1.837 20.828 19.000 -0.014 0.000 1.223 195 A HN 1.038 nan 8.150 nan 0.000 0.425 196 T N -2.031 112.508 114.554 -0.025 0.000 2.883 196 T HA 0.602 4.952 4.350 -0.000 0.000 0.296 196 T C -0.783 173.887 174.700 -0.049 0.000 1.117 196 T CA -0.727 61.352 62.100 -0.035 0.000 1.006 196 T CB 1.414 70.266 68.868 -0.027 0.000 1.191 196 T HN 1.223 nan 8.240 nan 0.000 0.508 197 C N 2.492 121.753 119.300 -0.066 0.000 2.271 197 C HA 0.644 5.104 4.460 -0.000 0.000 0.323 197 C C -0.685 174.248 174.990 -0.095 0.000 1.245 197 C CA -0.429 58.538 59.018 -0.084 0.000 1.548 197 C CB -1.285 26.395 27.740 -0.101 0.000 2.214 197 C HN 0.867 nan 8.230 nan 0.000 0.477 198 D N 2.857 123.205 120.400 -0.087 0.000 2.332 198 D HA 0.291 4.931 4.640 -0.000 0.000 0.252 198 D C -0.039 176.221 176.300 -0.066 0.000 1.050 198 D CA -0.029 53.930 54.000 -0.068 0.000 0.970 198 D CB 1.386 42.156 40.800 -0.049 0.000 1.141 198 D HN 0.499 nan 8.370 nan 0.000 0.485 199 S N -0.131 115.542 115.700 -0.045 0.000 2.515 199 S HA 0.154 4.623 4.470 -0.000 0.000 0.285 199 S C 1.058 175.657 174.600 -0.003 0.000 1.265 199 S CA -0.187 57.977 58.200 -0.061 0.000 1.079 199 S CB 0.264 63.411 63.200 -0.089 0.000 0.877 199 S HN 0.513 nan 8.310 nan 0.000 0.493 200 S N 1.519 117.218 115.700 -0.002 0.000 3.019 200 S HA 0.131 4.601 4.470 -0.000 0.000 0.258 200 S C -0.327 174.311 174.600 0.063 0.000 1.082 200 S CA -0.525 57.700 58.200 0.042 0.000 0.836 200 S CB -0.452 62.744 63.200 -0.008 0.000 0.834 200 S HN 0.570 nan 8.310 nan 0.000 0.457 201 D N 3.353 123.783 120.400 0.051 0.000 2.571 201 D HA 0.248 4.888 4.640 -0.000 0.000 0.231 201 D C 0.101 176.464 176.300 0.105 0.000 1.133 201 D CA 0.673 54.719 54.000 0.077 0.000 0.862 201 D CB -0.026 40.829 40.800 0.092 0.000 1.179 201 D HN 0.177 nan 8.370 nan 0.000 0.474 202 R N -0.286 120.269 120.500 0.093 0.000 3.184 202 R HA -0.103 4.237 4.340 -0.000 0.000 0.257 202 R C -2.474 173.866 176.300 0.066 0.000 0.999 202 R CA -0.029 56.122 56.100 0.084 0.000 0.670 202 R CB -1.777 28.604 30.300 0.135 0.000 1.197 202 R HN 0.465 nan 8.270 nan 0.000 0.419 203 P HA 0.081 nan 4.420 nan 0.000 0.272 203 P C -0.374 176.909 177.300 -0.028 0.000 1.230 203 P CA -0.136 62.984 63.100 0.033 0.000 0.788 203 P CB 0.758 32.491 31.700 0.055 0.000 0.949 204 R N 1.254 121.713 120.500 -0.068 0.000 2.407 204 R HA 0.541 4.881 4.340 -0.000 0.000 0.303 204 R C -1.380 174.791 176.300 -0.215 0.000 0.981 204 R CA -0.725 55.272 56.100 -0.171 0.000 0.905 204 R CB 0.962 31.142 30.300 -0.200 0.000 1.099 204 R HN 0.266 nan 8.270 nan 0.000 0.459 205 V N 5.260 125.005 119.914 -0.281 0.000 2.531 205 V HA 0.375 4.495 4.120 -0.000 0.000 0.301 205 V C -1.296 174.639 176.094 -0.264 0.000 1.034 205 V CA -0.705 61.474 62.300 -0.202 0.000 0.865 205 V CB 1.548 33.312 31.823 -0.098 0.000 0.995 205 V HN 0.702 nan 8.190 nan 0.000 0.424 206 Y N 1.718 121.991 120.300 -0.044 0.000 2.360 206 Y HA 0.612 5.162 4.550 -0.000 0.000 0.337 206 Y C 0.697 176.552 175.900 -0.075 0.000 1.039 206 Y CA -0.542 57.527 58.100 -0.051 0.000 1.109 206 Y CB 2.197 40.633 38.460 -0.042 0.000 1.201 206 Y HN 0.493 nan 8.280 nan 0.000 0.458 207 T N 5.313 119.910 114.554 0.072 0.000 2.786 207 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 207 T C -0.590 174.061 174.700 -0.082 0.000 0.992 207 T CA -0.504 61.581 62.100 -0.025 0.000 0.954 207 T CB 0.266 69.111 68.868 -0.039 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.868 123.334 120.570 -0.173 0.000 2.418 208 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 208 I C 0.151 176.074 176.117 -0.322 0.000 1.008 208 I CA -0.694 60.420 61.300 -0.310 0.000 1.104 208 I CB 1.975 39.648 38.000 -0.546 0.000 1.264 208 I HN 0.466 nan 8.210 nan 0.000 0.438 209 T N 5.721 120.116 114.554 -0.265 0.000 2.891 209 T HA 0.260 4.610 4.350 -0.000 0.000 0.315 209 T C 1.125 175.678 174.700 -0.246 0.000 1.054 209 T CA -0.356 61.619 62.100 -0.207 0.000 0.958 209 T CB 1.264 70.054 68.868 -0.129 0.000 1.008 209 T HN 0.755 nan 8.240 nan 0.000 0.521 210 A N 2.766 125.418 122.820 -0.279 0.000 2.015 210 A HA 0.533 4.853 4.320 -0.000 0.000 0.219 210 A C 1.245 178.790 177.584 -0.065 0.000 1.163 210 A CA 0.676 52.591 52.037 -0.204 0.000 0.646 210 A CB 0.051 19.037 19.000 -0.024 0.000 0.806 210 A HN 0.891 nan 8.150 nan 0.000 0.448 211 A N -0.786 122.001 122.820 -0.055 0.000 2.540 211 A HA 0.537 4.857 4.320 -0.000 0.000 0.297 211 A C -1.857 175.732 177.584 0.008 0.000 1.056 211 A CA -0.321 51.723 52.037 0.012 0.000 0.700 211 A CB 1.062 20.100 19.000 0.064 0.000 1.280 211 A HN 0.042 nan 8.150 nan 0.000 0.398 212 D N 2.458 122.892 120.400 0.057 0.000 2.404 212 D HA 0.362 5.001 4.640 -0.000 0.000 0.267 212 D C -0.601 175.748 176.300 0.082 0.000 1.194 212 D CA 0.246 54.269 54.000 0.039 0.000 0.910 212 D CB 0.146 40.961 40.800 0.024 0.000 1.090 212 D HN 0.493 nan 8.370 nan 0.000 0.511 213 D N 2.063 122.509 120.400 0.076 0.000 2.746 213 D HA -0.292 4.348 4.640 -0.000 0.000 0.236 213 D C -0.441 175.946 176.300 0.145 0.000 1.129 213 D CA 0.440 54.496 54.000 0.093 0.000 0.691 213 D CB -1.594 39.249 40.800 0.072 0.000 1.077 213 D HN 0.480 nan 8.370 nan 0.000 0.432 214 Y N 1.538 121.891 120.300 0.088 0.000 2.465 214 Y HA 0.148 4.698 4.550 -0.000 0.000 0.331 214 Y C 0.502 176.502 175.900 0.167 0.000 1.102 214 Y CA 0.098 58.275 58.100 0.127 0.000 1.358 214 Y CB 0.660 39.224 38.460 0.173 0.000 1.213 214 Y HN -0.067 nan 8.280 nan 0.000 0.525 215 Q N 7.784 127.179 119.800 -0.675 0.000 2.331 215 Q HA 0.185 4.525 4.340 -0.000 0.000 0.257 215 Q C -1.364 174.116 176.000 -0.867 0.000 0.957 215 Q CA -0.406 55.073 55.803 -0.541 0.000 0.923 215 Q CB 1.451 29.995 28.738 -0.323 0.000 1.212 215 Q HN 0.718 nan 8.270 nan 0.000 0.443 216 F N 1.484 120.913 119.950 -0.869 0.000 2.443 216 F HA 0.538 5.065 4.527 -0.000 0.000 0.335 216 F C -0.571 174.843 175.800 -0.643 0.000 1.104 216 F CA -0.554 56.882 58.000 -0.939 0.000 1.013 216 F CB 1.695 39.609 39.000 -1.811 0.000 1.136 216 F HN 0.349 nan 8.300 nan 0.000 0.470 217 S N 4.085 118.901 115.700 -1.474 0.000 2.572 217 S HA 0.702 5.172 4.470 -0.000 0.000 0.274 217 S C -1.420 172.573 174.600 -1.012 0.000 1.150 217 S CA -0.397 57.188 58.200 -1.026 0.000 0.944 217 S CB 1.314 64.211 63.200 -0.505 0.000 1.071 217 S HN 0.959 nan 8.310 nan 0.000 0.479 218 S N 2.661 117.954 115.700 -0.679 0.000 2.565 218 S HA 0.404 4.874 4.470 -0.000 0.000 0.274 218 S C -1.943 172.584 174.600 -0.123 0.000 1.144 218 S CA -0.533 57.449 58.200 -0.364 0.000 0.849 218 S CB 1.645 64.655 63.200 -0.317 0.000 1.103 218 S HN 0.728 nan 8.310 nan 0.000 0.455 219 Q N 2.302 122.068 119.800 -0.057 0.000 2.314 219 Q HA 0.186 4.526 4.340 -0.000 0.000 0.258 219 Q C -0.522 175.526 176.000 0.080 0.000 0.954 219 Q CA -0.084 55.732 55.803 0.022 0.000 0.890 219 Q CB 0.532 29.277 28.738 0.011 0.000 1.210 219 Q HN 0.780 nan 8.270 nan 0.000 0.410 220 Y N 2.834 123.147 120.300 0.021 0.000 2.536 220 Y HA -0.121 4.429 4.550 -0.000 0.000 0.354 220 Y C -0.350 175.574 175.900 0.040 0.000 1.266 220 Y CA 0.913 59.039 58.100 0.044 0.000 1.494 220 Y CB 0.496 38.979 38.460 0.038 0.000 1.355 220 Y HN 0.677 nan 8.280 nan 0.000 0.683 221 Q N 2.195 121.234 119.800 -1.268 0.000 2.541 221 Q HA 0.229 4.569 4.340 -0.000 0.000 0.259 221 Q C -1.663 173.669 176.000 -1.113 0.000 0.974 221 Q CA -0.527 54.736 55.803 -0.899 0.000 0.955 221 Q CB 1.439 29.973 28.738 -0.340 0.000 1.517 221 Q HN 0.842 nan 8.270 nan 0.000 0.412 222 S N 1.152 116.449 115.700 -0.672 0.000 2.549 222 S HA 0.504 4.974 4.470 -0.000 0.000 0.283 222 S C 1.062 175.564 174.600 -0.163 0.000 1.320 222 S CA 1.685 59.724 58.200 -0.269 0.000 1.058 222 S CB 0.339 63.517 63.200 -0.037 0.000 0.882 222 S HN 1.239 nan 8.310 nan 0.000 0.498 223 G N 2.622 111.383 108.800 -0.065 0.000 2.176 223 G HA2 0.050 4.009 3.960 -0.000 0.000 0.253 223 G HA3 0.050 4.009 3.960 -0.000 0.000 0.253 223 G C 1.118 175.999 174.900 -0.032 0.000 0.979 223 G CA 0.242 45.321 45.100 -0.035 0.000 0.641 223 G HN 2.087 nan 8.290 nan 0.000 0.530 224 G N -2.346 106.419 108.800 -0.058 0.000 2.781 224 G HA2 0.229 4.189 3.960 -0.000 0.000 0.683 224 G HA3 0.229 4.189 3.960 -0.000 0.000 0.683 224 G C -0.375 174.524 174.900 -0.001 0.000 1.390 224 G CA 0.030 45.124 45.100 -0.010 0.000 0.850 224 G HN 1.515 nan 8.290 nan 0.000 0.557 225 V N 1.320 121.271 119.914 0.062 0.000 2.384 225 V HA 0.674 4.794 4.120 -0.000 0.000 0.287 225 V C 0.682 176.832 176.094 0.095 0.000 1.020 225 V CA -0.041 62.319 62.300 0.101 0.000 0.850 225 V CB 1.782 33.734 31.823 0.214 0.000 0.987 225 V HN 1.040 nan 8.190 nan 0.000 0.436 226 T N 7.105 121.701 114.554 0.070 0.000 2.867 226 T HA 0.714 5.064 4.350 -0.000 0.000 0.282 226 T C -0.313 174.430 174.700 0.071 0.000 1.000 226 T CA -0.090 62.041 62.100 0.052 0.000 1.042 226 T CB 0.868 69.754 68.868 0.029 0.000 0.973 226 T HN 0.666 nan 8.240 nan 0.000 0.465 227 I N -0.786 119.821 120.570 0.062 0.000 2.969 227 I HA 0.673 4.843 4.170 -0.000 0.000 0.307 227 I C -0.798 175.339 176.117 0.034 0.000 1.149 227 I CA -0.846 60.502 61.300 0.079 0.000 1.008 227 I CB 2.617 40.708 38.000 0.152 0.000 1.232 227 I HN 0.335 nan 8.210 nan 0.000 0.435 228 T N 5.018 119.575 114.554 0.004 0.000 2.853 228 T HA 0.271 4.621 4.350 -0.000 0.000 0.317 228 T C 0.722 175.393 174.700 -0.048 0.000 1.059 228 T CA -0.263 61.801 62.100 -0.060 0.000 0.954 228 T CB 1.086 69.891 68.868 -0.105 0.000 0.994 228 T HN 0.592 nan 8.240 nan 0.000 0.479 229 L N 4.324 125.525 121.223 -0.037 0.000 2.042 229 L HA 0.159 4.498 4.340 -0.000 0.000 0.210 229 L C 0.247 177.159 176.870 0.069 0.000 1.076 229 L CA 1.910 56.757 54.840 0.011 0.000 0.749 229 L CB -0.293 41.839 42.059 0.122 0.000 0.893 229 L HN 0.739 nan 8.230 nan 0.000 0.432 230 F N -3.878 116.053 119.950 -0.032 0.000 2.741 230 F HA 0.592 5.119 4.527 -0.000 0.000 0.311 230 F C -0.820 174.963 175.800 -0.029 0.000 1.149 230 F CA -0.984 56.991 58.000 -0.042 0.000 0.930 230 F CB 0.604 39.573 39.000 -0.052 0.000 1.312 230 F HN -0.335 nan 8.300 nan 0.000 0.450 231 S N 1.287 117.105 115.700 0.196 0.000 2.575 231 S HA 0.905 5.375 4.470 -0.000 0.000 0.278 231 S C -1.472 173.271 174.600 0.238 0.000 1.139 231 S CA 0.180 58.432 58.200 0.087 0.000 0.954 231 S CB 1.174 64.359 63.200 -0.025 0.000 1.054 231 S HN 1.735 nan 8.310 nan 0.000 0.483 232 A N 3.995 126.945 122.820 0.216 0.000 2.515 232 A HA 0.734 5.054 4.320 -0.000 0.000 0.298 232 A C -1.023 176.563 177.584 0.003 0.000 1.059 232 A CA -0.900 51.198 52.037 0.102 0.000 0.698 232 A CB 1.143 20.188 19.000 0.075 0.000 1.289 232 A HN 0.743 nan 8.150 nan 0.000 0.404 233 N N 1.166 119.848 118.700 -0.031 0.000 2.488 233 N HA 0.589 5.329 4.740 -0.000 0.000 0.274 233 N C -0.418 174.983 175.510 -0.181 0.000 1.111 233 N CA 0.302 53.321 53.050 -0.052 0.000 0.974 233 N CB 0.873 39.361 38.487 0.002 0.000 1.089 233 N HN 0.734 nan 8.380 nan 0.000 0.465 234 I N -2.112 118.335 120.570 -0.204 0.000 3.102 234 I HA 0.540 4.710 4.170 -0.000 0.000 0.310 234 I C -1.264 174.806 176.117 -0.080 0.000 1.246 234 I CA -0.985 60.062 61.300 -0.423 0.000 0.979 234 I CB 2.746 40.301 38.000 -0.742 0.000 1.267 234 I HN 0.043 nan 8.210 nan 0.000 0.451 235 D N 2.543 122.997 120.400 0.090 0.000 2.498 235 D HA 0.737 5.377 4.640 -0.000 0.000 0.247 235 D C -1.036 175.335 176.300 0.119 0.000 1.070 235 D CA -0.242 53.834 54.000 0.127 0.000 0.842 235 D CB 2.442 43.344 40.800 0.170 0.000 1.361 235 D HN 0.905 nan 8.370 nan 0.000 0.484 236 A N 1.969 124.824 122.820 0.058 0.000 2.540 236 A HA 0.510 4.830 4.320 -0.000 0.000 0.297 236 A C -0.268 177.305 177.584 -0.018 0.000 1.056 236 A CA -0.516 51.541 52.037 0.034 0.000 0.700 236 A CB 0.908 19.929 19.000 0.035 0.000 1.280 236 A HN 0.561 nan 8.150 nan 0.000 0.398 237 I N 0.526 121.071 120.570 -0.042 0.000 4.124 237 I HA 0.121 4.291 4.170 -0.000 0.000 0.311 237 I C 1.160 177.251 176.117 -0.044 0.000 1.259 237 I CA 1.078 62.312 61.300 -0.110 0.000 1.315 237 I CB 0.787 38.629 38.000 -0.263 0.000 1.223 237 I HN 0.803 nan 8.210 nan 0.000 0.441 238 T N -1.640 112.927 114.554 0.022 0.000 2.762 238 T HA 0.400 4.750 4.350 -0.000 0.000 0.272 238 T C 0.277 175.019 174.700 0.070 0.000 0.982 238 T CA -0.504 61.629 62.100 0.055 0.000 1.013 238 T CB 1.100 70.033 68.868 0.108 0.000 1.309 238 T HN 0.111 nan 8.240 nan 0.000 0.572 239 S N 0.614 116.377 115.700 0.105 0.000 2.561 239 S HA 0.339 4.808 4.470 -0.000 0.000 0.294 239 S C 0.028 174.720 174.600 0.153 0.000 1.294 239 S CA -0.360 57.933 58.200 0.156 0.000 1.055 239 S CB -1.028 62.302 63.200 0.216 0.000 0.819 239 S HN 1.212 nan 8.310 nan 0.000 0.503 240 L N -0.594 120.664 121.223 0.058 0.000 2.491 240 L HA 0.941 5.281 4.340 -0.000 0.000 0.254 240 L C -0.620 176.210 176.870 -0.068 0.000 1.048 240 L CA -0.987 53.748 54.840 -0.175 0.000 0.855 240 L CB 1.778 43.789 42.059 -0.080 0.000 1.466 240 L HN 0.866 nan 8.230 nan 0.000 0.409 241 S N -0.085 115.536 115.700 -0.131 0.000 2.595 241 S HA 0.872 5.342 4.470 -0.000 0.000 0.281 241 S C -0.993 173.618 174.600 0.018 0.000 1.117 241 S CA -0.678 57.534 58.200 0.019 0.000 0.873 241 S CB 1.871 65.136 63.200 0.109 0.000 1.108 241 S HN 0.673 nan 8.310 nan 0.000 0.477 242 I N 1.341 121.949 120.570 0.063 0.000 2.512 242 I HA 0.671 4.841 4.170 -0.000 0.000 0.287 242 I C 0.389 176.567 176.117 0.103 0.000 1.069 242 I CA -0.401 60.941 61.300 0.070 0.000 1.056 242 I CB 1.986 40.054 38.000 0.113 0.000 1.229 242 I HN 0.966 nan 8.210 nan 0.000 0.429 243 G N 2.913 111.743 108.800 0.049 0.000 2.816 243 G HA2 0.907 4.867 3.960 -0.000 0.000 0.288 243 G HA3 0.907 4.867 3.960 -0.000 0.000 0.288 243 G C -0.483 174.404 174.900 -0.022 0.000 1.334 243 G CA -0.526 44.618 45.100 0.072 0.000 0.978 243 G HN 1.025 nan 8.290 nan 0.000 0.493 244 G N -1.201 107.617 108.800 0.031 0.000 2.331 244 G HA2 0.432 4.392 3.960 -0.000 0.000 0.479 244 G HA3 0.432 4.392 3.960 -0.000 0.000 0.479 244 G C -1.014 173.950 174.900 0.108 0.000 1.262 244 G CA 0.189 45.261 45.100 -0.047 0.000 1.029 244 G HN 1.127 nan 8.290 nan 0.000 0.487 245 E N -1.298 118.931 120.200 0.048 0.000 2.378 245 E HA 0.563 4.913 4.350 -0.000 0.000 0.283 245 E C -1.401 175.295 176.600 0.160 0.000 0.979 245 E CA -0.841 55.701 56.400 0.238 0.000 0.795 245 E CB 1.508 31.296 29.700 0.146 0.000 1.221 245 E HN 0.629 nan 8.360 nan 0.000 0.428 246 L N 3.253 124.652 121.223 0.293 0.000 2.329 246 L HA 0.627 4.967 4.340 -0.000 0.000 0.279 246 L C -0.794 176.087 176.870 0.018 0.000 1.014 246 L CA -1.193 53.702 54.840 0.091 0.000 0.814 246 L CB 1.876 44.054 42.059 0.198 0.000 1.257 246 L HN 0.378 nan 8.230 nan 0.000 0.424 247 V N 3.260 123.055 119.914 -0.198 0.000 2.448 247 V HA 0.434 4.553 4.120 -0.000 0.000 0.295 247 V C -0.627 175.228 176.094 -0.398 0.000 1.025 247 V CA -0.420 61.780 62.300 -0.166 0.000 0.859 247 V CB 1.628 33.345 31.823 -0.177 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 2.962 122.801 119.950 -0.185 0.000 2.469 248 F HA 0.587 5.114 4.527 -0.000 0.000 0.332 248 F C 0.432 176.222 175.800 -0.017 0.000 1.103 248 F CA -0.412 57.488 58.000 -0.167 0.000 0.979 248 F CB 1.423 40.272 39.000 -0.252 0.000 1.137 248 F HN 0.472 nan 8.300 nan 0.000 0.463 249 H N 0.276 119.496 119.070 0.251 0.000 2.495 249 H HA 0.600 5.156 4.556 -0.000 0.000 0.348 249 H C -0.609 174.868 175.328 0.248 0.000 1.113 249 H CA -0.843 55.320 56.048 0.191 0.000 1.195 249 H CB 2.330 32.173 29.762 0.134 0.000 1.521 249 H HN 0.568 nan 8.280 nan 0.000 0.509 250 T N 0.570 115.296 114.554 0.287 0.000 2.894 250 T HA 0.192 4.542 4.350 -0.000 0.000 0.309 250 T C 0.151 174.898 174.700 0.078 0.000 1.208 250 T CA -0.581 61.649 62.100 0.217 0.000 1.016 250 T CB 1.435 70.439 68.868 0.227 0.000 1.192 250 T HN 0.574 nan 8.240 nan 0.000 0.491 251 S N 1.240 116.974 115.700 0.057 0.000 2.505 251 S HA 0.249 4.719 4.470 -0.000 0.000 0.216 251 S C 0.629 175.204 174.600 -0.042 0.000 1.018 251 S CA -0.155 58.042 58.200 -0.004 0.000 0.911 251 S CB 0.434 63.650 63.200 0.026 0.000 0.818 251 S HN 0.571 nan 8.310 nan 0.000 0.497 252 V N 3.581 123.499 119.914 0.005 0.000 2.732 252 V HA 0.197 4.317 4.120 -0.000 0.000 0.297 252 V C 0.204 176.265 176.094 -0.055 0.000 1.060 252 V CA -0.345 61.974 62.300 0.033 0.000 1.038 252 V CB 0.690 32.569 31.823 0.094 0.000 1.003 252 V HN 0.458 nan 8.190 nan 0.000 0.481 253 H N 2.114 121.220 119.070 0.060 0.000 2.508 253 H HA 0.367 4.923 4.556 -0.000 0.000 0.344 253 H C 1.198 176.556 175.328 0.050 0.000 1.192 253 H CA 0.500 56.578 56.048 0.050 0.000 1.290 253 H CB 1.497 31.278 29.762 0.031 0.000 1.571 253 H HN 0.910 nan 8.280 nan 0.000 0.555 254 G N 1.356 110.256 108.800 0.165 0.000 2.168 254 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.257 254 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.257 254 G C 0.153 175.107 174.900 0.089 0.000 0.997 254 G CA 0.190 45.353 45.100 0.105 0.000 0.708 254 G HN 0.386 nan 8.290 nan 0.000 0.520 255 L N 0.074 121.352 121.223 0.091 0.000 2.350 255 L HA 0.692 5.032 4.340 -0.000 0.000 0.275 255 L C 0.658 177.552 176.870 0.040 0.000 1.099 255 L CA -0.067 54.833 54.840 0.101 0.000 0.808 255 L CB 1.561 43.714 42.059 0.157 0.000 1.149 255 L HN 0.355 nan 8.230 nan 0.000 0.442 256 A N 4.101 126.937 122.820 0.026 0.000 2.449 256 A HA 0.837 5.157 4.320 -0.000 0.000 0.302 256 A C -1.010 176.521 177.584 -0.088 0.000 1.048 256 A CA -0.541 51.472 52.037 -0.041 0.000 0.708 256 A CB 1.503 20.492 19.000 -0.019 0.000 1.274 256 A HN 0.619 nan 8.150 nan 0.000 0.410 257 L N 1.301 122.412 121.223 -0.188 0.000 2.342 257 L HA 0.582 4.922 4.340 -0.000 0.000 0.271 257 L C -0.941 175.810 176.870 -0.198 0.000 1.008 257 L CA -0.790 53.897 54.840 -0.255 0.000 0.818 257 L CB 2.121 43.860 42.059 -0.533 0.000 1.296 257 L HN 0.629 nan 8.230 nan 0.000 0.427 258 D N 1.953 122.256 120.400 -0.161 0.000 2.757 258 D HA 0.610 5.250 4.640 -0.000 0.000 0.249 258 D C -1.026 175.201 176.300 -0.122 0.000 1.168 258 D CA -0.188 53.737 54.000 -0.123 0.000 0.870 258 D CB 2.737 43.494 40.800 -0.072 0.000 1.411 258 D HN 0.571 nan 8.370 nan 0.000 0.525 259 A N 1.731 124.469 122.820 -0.136 0.000 2.414 259 A HA 0.768 5.088 4.320 -0.000 0.000 0.306 259 A C -0.577 176.945 177.584 -0.104 0.000 1.054 259 A CA -0.498 51.475 52.037 -0.105 0.000 0.724 259 A CB 1.945 20.860 19.000 -0.142 0.000 1.267 259 A HN 0.355 nan 8.150 nan 0.000 0.418 260 T N 2.647 117.174 114.554 -0.046 0.000 2.916 260 T HA 0.470 4.820 4.350 -0.000 0.000 0.298 260 T C -0.710 173.953 174.700 -0.061 0.000 1.031 260 T CA -0.330 61.702 62.100 -0.113 0.000 0.993 260 T CB 0.985 69.736 68.868 -0.195 0.000 1.045 260 T HN 0.479 nan 8.240 nan 0.000 0.454 261 I N 3.190 123.684 120.570 -0.127 0.000 2.385 261 I HA 0.419 4.589 4.170 -0.000 0.000 0.294 261 I C -0.963 175.049 176.117 -0.174 0.000 0.988 261 I CA -0.682 60.610 61.300 -0.014 0.000 1.265 261 I CB 1.126 39.168 38.000 0.069 0.000 1.388 261 I HN 0.655 nan 8.210 nan 0.000 0.480 262 Y N 5.845 126.124 120.300 -0.036 0.000 2.376 262 Y HA 0.492 5.042 4.550 -0.000 0.000 0.340 262 Y C -0.148 175.734 175.900 -0.029 0.000 0.965 262 Y CA -0.783 57.296 58.100 -0.035 0.000 1.078 262 Y CB 1.692 40.121 38.460 -0.052 0.000 1.193 262 Y HN 0.258 nan 8.280 nan 0.000 0.452 263 L N 5.318 126.610 121.223 0.115 0.000 2.280 263 L HA 0.490 4.830 4.340 -0.000 0.000 0.287 263 L C -0.827 176.084 176.870 0.067 0.000 1.023 263 L CA -0.641 54.239 54.840 0.068 0.000 0.819 263 L CB 0.816 42.897 42.059 0.035 0.000 1.212 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.261 122.861 120.570 0.051 0.000 2.437 264 I HA 0.406 4.576 4.170 -0.000 0.000 0.298 264 I C 0.938 177.078 176.117 0.037 0.000 0.984 264 I CA -0.193 61.130 61.300 0.038 0.000 1.214 264 I CB 1.449 39.457 38.000 0.014 0.000 1.365 264 I HN 0.536 nan 8.210 nan 0.000 0.469 265 G N 3.053 111.877 108.800 0.040 0.000 2.580 265 G HA2 0.185 4.145 3.960 -0.000 0.000 0.278 265 G HA3 0.185 4.145 3.960 -0.000 0.000 0.278 265 G C 0.353 175.324 174.900 0.117 0.000 1.212 265 G CA -0.328 44.814 45.100 0.069 0.000 0.939 265 G HN 0.593 nan 8.290 nan 0.000 0.513 266 F N 0.567 120.509 119.950 -0.015 0.000 2.269 266 F HA -0.105 4.422 4.527 -0.000 0.000 0.301 266 F C 2.141 177.888 175.800 -0.089 0.000 1.082 266 F CA 1.847 59.780 58.000 -0.112 0.000 1.360 266 F CB 0.205 39.016 39.000 -0.315 0.000 1.041 266 F HN 0.426 nan 8.300 nan 0.000 0.512 267 D N -1.070 119.346 120.400 0.028 0.000 2.328 267 D HA 0.161 4.801 4.640 -0.000 0.000 0.226 267 D C 1.834 178.113 176.300 -0.035 0.000 1.066 267 D CA 0.743 54.736 54.000 -0.012 0.000 0.861 267 D CB -0.449 40.506 40.800 0.258 0.000 0.912 267 D HN 0.396 nan 8.370 nan 0.000 0.521 268 G N 0.119 108.890 108.800 -0.048 0.000 2.199 268 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 268 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 268 G C 0.545 175.441 174.900 -0.007 0.000 0.982 268 G CA 0.533 45.607 45.100 -0.043 0.000 0.632 268 G HN 0.796 nan 8.290 nan 0.000 0.529 269 T N -0.851 113.719 114.554 0.027 0.000 2.882 269 T HA 0.564 4.914 4.350 -0.000 0.000 0.287 269 T C 0.351 175.075 174.700 0.040 0.000 1.014 269 T CA 0.492 62.614 62.100 0.037 0.000 1.049 269 T CB 1.698 70.603 68.868 0.062 0.000 1.001 269 T HN 0.297 nan 8.240 nan 0.000 0.525 270 T N 2.165 116.751 114.554 0.053 0.000 2.794 270 T HA 0.320 4.670 4.350 -0.000 0.000 0.296 270 T C 1.273 176.007 174.700 0.057 0.000 0.949 270 T CA -0.689 61.461 62.100 0.082 0.000 1.101 270 T CB 0.982 69.936 68.868 0.143 0.000 0.905 270 T HN 0.535 nan 8.240 nan 0.000 0.516 271 V N 3.937 123.876 119.914 0.042 0.000 2.949 271 V HA 0.349 4.469 4.120 -0.000 0.000 0.245 271 V C 0.551 176.651 176.094 0.010 0.000 1.086 271 V CA 0.703 63.010 62.300 0.012 0.000 1.097 271 V CB -0.034 31.781 31.823 -0.012 0.000 0.762 271 V HN 0.736 nan 8.190 nan 0.000 0.470 272 I N 0.100 120.679 120.570 0.016 0.000 2.722 272 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 272 I C -0.726 175.359 176.117 -0.054 0.000 1.267 272 I CA -0.216 61.076 61.300 -0.013 0.000 1.036 272 I CB 2.615 40.609 38.000 -0.010 0.000 1.281 272 I HN 0.137 nan 8.210 nan 0.000 0.423 273 T N 2.566 117.047 114.554 -0.121 0.000 2.886 273 T HA 0.709 5.059 4.350 -0.000 0.000 0.292 273 T C -0.737 173.834 174.700 -0.213 0.000 1.012 273 T CA -0.890 61.037 62.100 -0.289 0.000 0.982 273 T CB 2.127 70.751 68.868 -0.405 0.000 1.018 273 T HN 0.396 nan 8.240 nan 0.000 0.451 274 R N 1.595 121.957 120.500 -0.230 0.000 2.574 274 R HA 0.725 5.065 4.340 -0.000 0.000 0.288 274 R C -0.469 175.730 176.300 -0.168 0.000 1.004 274 R CA -0.723 55.289 56.100 -0.147 0.000 0.895 274 R CB 1.942 32.195 30.300 -0.077 0.000 1.191 274 R HN 0.993 nan 8.270 nan 0.000 0.444 275 A N 2.220 124.954 122.820 -0.144 0.000 2.409 275 A HA 0.336 4.656 4.320 -0.000 0.000 0.262 275 A C 0.773 178.262 177.584 -0.159 0.000 1.113 275 A CA -0.258 51.692 52.037 -0.146 0.000 0.790 275 A CB 0.571 19.500 19.000 -0.118 0.000 1.046 275 A HN 0.487 nan 8.150 nan 0.000 0.496 276 V N 1.500 121.289 119.914 -0.209 0.000 3.455 276 V HA 0.408 4.528 4.120 -0.000 0.000 0.250 276 V C 0.947 176.852 176.094 -0.314 0.000 1.230 276 V CA 1.381 63.486 62.300 -0.325 0.000 1.105 276 V CB 0.187 31.683 31.823 -0.544 0.000 0.850 276 V HN 1.122 nan 8.190 nan 0.000 0.461 277 A N -0.591 122.083 122.820 -0.242 0.000 2.459 277 A HA 0.763 5.083 4.320 -0.000 0.000 0.296 277 A C -0.675 176.814 177.584 -0.157 0.000 1.039 277 A CA -0.230 51.681 52.037 -0.209 0.000 0.698 277 A CB 1.970 20.822 19.000 -0.247 0.000 1.261 277 A HN 0.047 nan 8.150 nan 0.000 0.405 278 S N 1.807 117.430 115.700 -0.128 0.000 2.756 278 S HA 0.501 4.971 4.470 -0.000 0.000 0.303 278 S C -0.374 174.174 174.600 -0.085 0.000 1.135 278 S CA 0.317 58.458 58.200 -0.097 0.000 1.066 278 S CB 0.558 63.711 63.200 -0.079 0.000 1.008 278 S HN 1.447 nan 8.310 nan 0.000 0.482 279 D N 3.212 123.564 120.400 -0.081 0.000 2.723 279 D HA -0.199 4.441 4.640 -0.000 0.000 0.236 279 D C -0.506 175.747 176.300 -0.078 0.000 1.138 279 D CA 0.682 54.643 54.000 -0.065 0.000 0.676 279 D CB -1.156 39.618 40.800 -0.043 0.000 1.069 279 D HN 0.501 nan 8.370 nan 0.000 0.430 280 N N 0.343 118.974 118.700 -0.116 0.000 2.402 280 N HA 0.373 5.113 4.740 -0.000 0.000 0.252 280 N C 0.268 175.703 175.510 -0.125 0.000 1.118 280 N CA 0.643 53.616 53.050 -0.128 0.000 0.945 280 N CB 0.629 39.008 38.487 -0.181 0.000 1.147 280 N HN 0.360 nan 8.380 nan 0.000 0.495 281 G N 3.477 112.230 108.800 -0.077 0.000 2.403 281 G HA2 0.357 4.316 3.960 -0.000 0.000 0.259 281 G HA3 0.357 4.316 3.960 -0.000 0.000 0.259 281 G C 0.159 175.025 174.900 -0.057 0.000 1.244 281 G CA -0.472 44.596 45.100 -0.054 0.000 0.849 281 G HN 0.605 nan 8.290 nan 0.000 0.532 282 L N 2.147 123.340 121.223 -0.049 0.000 2.265 282 L HA 0.301 4.641 4.340 -0.000 0.000 0.288 282 L C 0.408 177.280 176.870 0.003 0.000 1.058 282 L CA -0.496 54.326 54.840 -0.030 0.000 0.809 282 L CB 1.262 43.304 42.059 -0.028 0.000 1.179 282 L HN 0.346 nan 8.230 nan 0.000 0.429 283 T N 1.058 115.620 114.554 0.013 0.000 2.799 283 T HA 0.233 4.583 4.350 -0.000 0.000 0.286 283 T C 0.491 175.187 174.700 -0.007 0.000 0.973 283 T CA -0.479 61.627 62.100 0.011 0.000 1.035 283 T CB 1.205 70.090 68.868 0.027 0.000 0.932 283 T HN 0.725 nan 8.240 nan 0.000 0.469 284 T N 0.687 115.190 114.554 -0.086 0.000 2.926 284 T HA 0.386 4.736 4.350 -0.000 0.000 0.307 284 T C 1.388 176.062 174.700 -0.045 0.000 1.059 284 T CA 0.186 62.211 62.100 -0.126 0.000 1.122 284 T CB 0.256 68.898 68.868 -0.377 0.000 0.972 284 T HN 1.103 nan 8.240 nan 0.000 0.545 285 G N 2.286 111.063 108.800 -0.038 0.000 2.283 285 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.280 285 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.280 285 G C -0.070 174.809 174.900 -0.035 0.000 1.029 285 G CA 0.559 45.631 45.100 -0.047 0.000 0.840 285 G HN 0.982 nan 8.290 nan 0.000 0.505 286 I N -0.807 119.766 120.570 0.005 0.000 2.994 286 I HA 0.277 4.447 4.170 -0.000 0.000 0.306 286 I C -0.979 175.232 176.117 0.156 0.000 1.195 286 I CA -1.137 60.191 61.300 0.048 0.000 1.001 286 I CB 1.894 39.925 38.000 0.050 0.000 1.244 286 I HN -0.125 nan 8.210 nan 0.000 0.437 287 D N 4.558 125.067 120.400 0.181 0.000 2.336 287 D HA 0.158 4.798 4.640 -0.000 0.000 0.249 287 D C -0.679 175.720 176.300 0.164 0.000 1.213 287 D CA 0.051 54.212 54.000 0.269 0.000 0.870 287 D CB 0.563 41.485 40.800 0.203 0.000 1.076 287 D HN 0.286 nan 8.370 nan 0.000 0.483 288 N N 2.973 121.777 118.700 0.173 0.000 2.426 288 N HA 0.219 4.959 4.740 -0.000 0.000 0.257 288 N C -0.109 175.473 175.510 0.121 0.000 1.002 288 N CA -0.331 52.790 53.050 0.119 0.000 0.942 288 N CB 1.777 40.328 38.487 0.108 0.000 1.112 288 N HN 0.262 nan 8.380 nan 0.000 0.499 289 L N 2.140 123.411 121.223 0.080 0.000 2.292 289 L HA 0.465 4.804 4.340 -0.000 0.000 0.284 289 L C 0.478 177.388 176.870 0.067 0.000 1.065 289 L CA -0.233 54.655 54.840 0.080 0.000 0.806 289 L CB 1.111 43.205 42.059 0.058 0.000 1.175 289 L HN 0.365 nan 8.230 nan 0.000 0.431 290 M N 7.045 126.710 119.600 0.109 0.000 2.016 290 M HA 0.389 4.869 4.480 -0.000 0.000 0.315 290 M C -2.583 173.765 176.300 0.079 0.000 0.930 290 M CA -1.642 53.686 55.300 0.046 0.000 0.899 290 M CB 1.588 34.248 32.600 0.100 0.000 1.401 290 M HN 0.219 nan 8.290 nan 0.000 0.386 291 P HA 0.318 nan 4.420 nan 0.000 0.276 291 P C -1.399 175.945 177.300 0.074 0.000 1.244 291 P CA -0.087 63.102 63.100 0.148 0.000 0.801 291 P CB 0.799 32.547 31.700 0.081 0.000 1.006 292 F N 0.878 120.839 119.950 0.019 0.000 2.467 292 F HA 0.388 4.915 4.527 -0.000 0.000 0.336 292 F C 0.890 176.700 175.800 0.017 0.000 1.123 292 F CA -0.327 57.684 58.000 0.019 0.000 0.964 292 F CB 1.348 40.366 39.000 0.030 0.000 1.136 292 F HN 0.167 nan 8.300 nan 0.000 0.447 293 N N 5.247 124.039 118.700 0.153 0.000 2.703 293 N HA 0.281 5.021 4.740 -0.000 0.000 0.283 293 N C -1.377 174.181 175.510 0.081 0.000 1.851 293 N CA -0.069 53.042 53.050 0.103 0.000 0.826 293 N CB 1.243 39.764 38.487 0.057 0.000 1.239 293 N HN 0.424 nan 8.380 nan 0.000 0.495 294 L N 0.410 121.697 121.223 0.107 0.000 2.325 294 L HA 0.677 5.017 4.340 -0.000 0.000 0.278 294 L C -0.044 176.873 176.870 0.078 0.000 1.023 294 L CA -1.036 53.851 54.840 0.078 0.000 0.811 294 L CB 2.081 44.192 42.059 0.087 0.000 1.249 294 L HN -0.207 nan 8.230 nan 0.000 0.431 295 V N 3.824 123.777 119.914 0.065 0.000 2.482 295 V HA 0.381 4.501 4.120 -0.000 0.000 0.295 295 V C -0.516 175.616 176.094 0.063 0.000 1.026 295 V CA -0.282 62.067 62.300 0.081 0.000 0.856 295 V CB 2.045 33.914 31.823 0.077 0.000 1.001 295 V HN 0.448 nan 8.190 nan 0.000 0.424 296 I N 8.751 129.362 120.570 0.068 0.000 2.330 296 I HA 0.416 4.586 4.170 -0.000 0.000 0.286 296 I C -2.047 174.106 176.117 0.061 0.000 1.025 296 I CA -1.952 59.377 61.300 0.048 0.000 1.197 296 I CB 1.838 39.859 38.000 0.034 0.000 1.358 296 I HN 0.421 nan 8.210 nan 0.000 0.467 297 P HA 0.131 nan 4.420 nan 0.000 0.277 297 P C 0.576 177.898 177.300 0.036 0.000 1.240 297 P CA -0.240 62.887 63.100 0.045 0.000 0.798 297 P CB 1.071 32.788 31.700 0.028 0.000 0.979 298 T N 1.285 115.863 114.554 0.039 0.000 2.653 298 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 298 T C 1.665 176.374 174.700 0.015 0.000 1.035 298 T CA 2.135 64.252 62.100 0.029 0.000 1.154 298 T CB -0.935 67.954 68.868 0.034 0.000 0.862 298 T HN 0.645 nan 8.240 nan 0.000 0.441 299 N N 1.391 120.100 118.700 0.015 0.000 2.430 299 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 299 N C 1.349 176.865 175.510 0.009 0.000 1.032 299 N CA 1.067 54.124 53.050 0.012 0.000 0.893 299 N CB -0.229 38.265 38.487 0.012 0.000 0.957 299 N HN 0.532 nan 8.380 nan 0.000 0.442 300 E N 0.106 120.311 120.200 0.008 0.000 2.385 300 E HA 0.178 4.528 4.350 -0.000 0.000 0.194 300 E C 0.168 176.766 176.600 -0.005 0.000 1.013 300 E CA -0.034 56.368 56.400 0.004 0.000 0.866 300 E CB 0.344 30.046 29.700 0.004 0.000 0.832 300 E HN 0.408 nan 8.360 nan 0.000 0.500 301 I N 2.441 123.006 120.570 -0.009 0.000 2.329 301 I HA -0.035 4.135 4.170 -0.000 0.000 0.295 301 I C 1.441 177.529 176.117 -0.048 0.000 1.109 301 I CA -0.012 61.270 61.300 -0.029 0.000 1.297 301 I CB 1.067 39.050 38.000 -0.028 0.000 1.433 301 I HN 0.031 nan 8.210 nan 0.000 0.509 302 T N 1.907 116.422 114.554 -0.066 0.000 3.067 302 T HA 0.014 4.364 4.350 -0.000 0.000 0.261 302 T C 0.477 175.030 174.700 -0.245 0.000 1.110 302 T CA 0.221 62.275 62.100 -0.077 0.000 1.113 302 T CB -0.064 68.787 68.868 -0.028 0.000 0.917 302 T HN 0.701 nan 8.240 nan 0.000 0.499 303 Q N -0.337 119.254 119.800 -0.348 0.000 2.472 303 Q HA 0.538 4.878 4.340 -0.000 0.000 0.281 303 Q C -3.506 172.338 176.000 -0.260 0.000 0.997 303 Q CA -2.497 52.932 55.803 -0.623 0.000 0.828 303 Q CB 0.917 28.845 28.738 -1.350 0.000 1.443 303 Q HN -0.125 nan 8.270 nan 0.000 0.390 304 P HA 0.008 nan 4.420 nan 0.000 0.263 304 P C -0.800 176.511 177.300 0.019 0.000 1.175 304 P CA 0.541 63.634 63.100 -0.011 0.000 0.761 304 P CB 0.350 32.120 31.700 0.116 0.000 0.794 305 I N 2.828 123.406 120.570 0.013 0.000 2.365 305 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 305 I C 1.417 177.567 176.117 0.055 0.000 1.004 305 I CA 0.165 61.483 61.300 0.029 0.000 1.311 305 I CB 1.251 39.259 38.000 0.013 0.000 1.401 305 I HN 0.419 nan 8.210 nan 0.000 0.491 306 T N -0.037 114.560 114.554 0.071 0.000 3.040 306 T HA 0.227 4.577 4.350 -0.000 0.000 0.266 306 T C 0.280 175.000 174.700 0.033 0.000 1.005 306 T CA -0.090 62.058 62.100 0.080 0.000 0.906 306 T CB 0.126 69.090 68.868 0.160 0.000 1.082 306 T HN 0.633 nan 8.240 nan 0.000 0.531 307 S N 0.270 115.978 115.700 0.014 0.000 2.567 307 S HA 0.706 5.176 4.470 -0.000 0.000 0.270 307 S C -1.585 173.018 174.600 0.004 0.000 1.152 307 S CA -1.061 57.136 58.200 -0.005 0.000 0.835 307 S CB 1.660 64.860 63.200 -0.001 0.000 1.115 307 S HN 0.486 nan 8.310 nan 0.000 0.459 308 I N 1.258 121.837 120.570 0.014 0.000 2.582 308 I HA 0.735 4.905 4.170 -0.000 0.000 0.292 308 I C -1.609 174.508 176.117 0.001 0.000 1.066 308 I CA -0.696 60.629 61.300 0.042 0.000 1.053 308 I CB 1.840 39.885 38.000 0.076 0.000 1.241 308 I HN 1.027 nan 8.210 nan 0.000 0.421 309 K N 6.388 126.738 120.400 -0.084 0.000 2.502 309 K HA 0.585 4.905 4.320 -0.000 0.000 0.257 309 K C -2.124 174.292 176.600 -0.307 0.000 0.938 309 K CA -0.941 55.135 56.287 -0.351 0.000 0.819 309 K CB 2.423 34.767 32.500 -0.259 0.000 1.333 309 K HN 0.459 nan 8.250 nan 0.000 0.434 310 L N 1.240 122.070 121.223 -0.655 0.000 2.313 310 L HA 0.448 4.788 4.340 -0.000 0.000 0.283 310 L C -0.989 175.810 176.870 -0.119 0.000 1.013 310 L CA 0.025 54.707 54.840 -0.263 0.000 0.816 310 L CB 1.615 43.536 42.059 -0.229 0.000 1.236 310 L HN 0.805 nan 8.230 nan 0.000 0.419 311 E N 5.333 125.570 120.200 0.062 0.000 2.171 311 E HA 0.537 4.887 4.350 -0.000 0.000 0.271 311 E C -1.207 175.430 176.600 0.062 0.000 0.916 311 E CA -0.513 55.929 56.400 0.070 0.000 0.774 311 E CB 1.845 31.652 29.700 0.179 0.000 1.128 311 E HN 0.550 nan 8.360 nan 0.000 0.403 312 I N 3.265 123.865 120.570 0.050 0.000 2.466 312 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 312 I C -0.735 175.386 176.117 0.007 0.000 1.026 312 I CA -1.017 60.297 61.300 0.024 0.000 1.078 312 I CB 1.892 39.935 38.000 0.072 0.000 1.249 312 I HN 0.187 nan 8.210 nan 0.000 0.429 313 V N 4.656 124.556 119.914 -0.024 0.000 2.384 313 V HA 0.357 4.477 4.120 -0.000 0.000 0.287 313 V C 0.111 176.197 176.094 -0.013 0.000 1.020 313 V CA -0.442 61.853 62.300 -0.008 0.000 0.850 313 V CB 1.574 33.396 31.823 -0.003 0.000 0.987 313 V HN 0.744 nan 8.190 nan 0.000 0.436 314 T N 3.751 118.326 114.554 0.035 0.000 2.767 314 T HA 0.635 4.985 4.350 -0.000 0.000 0.284 314 T C 0.069 174.851 174.700 0.136 0.000 0.973 314 T CA -0.501 61.668 62.100 0.115 0.000 0.996 314 T CB 1.241 70.254 68.868 0.243 0.000 0.927 314 T HN 0.863 nan 8.240 nan 0.000 0.456 315 S N 2.113 117.888 115.700 0.125 0.000 2.595 315 S HA 0.712 5.182 4.470 -0.000 0.000 0.281 315 S C -1.153 173.552 174.600 0.176 0.000 1.117 315 S CA -1.175 57.111 58.200 0.144 0.000 0.873 315 S CB 2.227 65.482 63.200 0.092 0.000 1.108 315 S HN 0.645 nan 8.310 nan 0.000 0.477 316 K N 1.080 121.630 120.400 0.251 0.000 2.616 316 K HA 0.447 4.767 4.320 -0.000 0.000 0.241 316 K C 0.761 177.460 176.600 0.165 0.000 0.961 316 K CA -0.427 55.980 56.287 0.199 0.000 0.942 316 K CB 1.405 34.029 32.500 0.207 0.000 1.153 316 K HN 0.623 nan 8.250 nan 0.000 0.452 317 S N 2.372 118.132 115.700 0.099 0.000 2.392 317 S HA -0.129 4.340 4.470 -0.000 0.000 0.225 317 S C 1.186 175.796 174.600 0.016 0.000 1.041 317 S CA 1.913 60.155 58.200 0.069 0.000 1.100 317 S CB -0.276 62.951 63.200 0.044 0.000 1.029 317 S HN 0.808 nan 8.310 nan 0.000 0.424 318 G N 1.009 109.798 108.800 -0.019 0.000 3.541 318 G HA2 0.522 4.482 3.960 -0.000 0.000 0.253 318 G HA3 0.522 4.482 3.960 -0.000 0.000 0.253 318 G C 0.044 174.852 174.900 -0.153 0.000 1.017 318 G CA 0.077 45.139 45.100 -0.063 0.000 1.832 318 G HN 0.591 nan 8.290 nan 0.000 0.649 319 G N -0.189 108.422 108.800 -0.316 0.000 2.441 319 G HA2 0.613 4.573 3.960 -0.000 0.000 0.334 319 G HA3 0.613 4.573 3.960 -0.000 0.000 0.334 319 G C -0.586 173.769 174.900 -0.908 0.000 1.161 319 G CA -0.477 44.218 45.100 -0.676 0.000 0.935 319 G HN 0.262 nan 8.290 nan 0.000 0.488 320 Q N -0.418 118.974 119.800 -0.681 0.000 2.433 320 Q HA 0.607 4.947 4.340 -0.000 0.000 0.279 320 Q C 0.036 175.976 176.000 -0.099 0.000 1.105 320 Q CA -0.929 54.679 55.803 -0.325 0.000 0.815 320 Q CB 2.158 30.812 28.738 -0.140 0.000 1.403 320 Q HN 0.788 nan 8.270 nan 0.000 0.435 321 A N 0.093 122.980 122.820 0.113 0.000 2.555 321 A HA 0.381 4.701 4.320 -0.000 0.000 0.233 321 A C 1.251 178.894 177.584 0.098 0.000 1.060 321 A CA 1.419 53.569 52.037 0.189 0.000 0.759 321 A CB -0.607 18.466 19.000 0.121 0.000 0.995 321 A HN 1.123 nan 8.150 nan 0.000 0.506 322 G N 1.376 110.237 108.800 0.101 0.000 2.454 322 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.225 322 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.225 322 G C -0.027 174.904 174.900 0.051 0.000 1.138 322 G CA 0.426 45.559 45.100 0.055 0.000 0.667 322 G HN 0.990 nan 8.290 nan 0.000 0.512 323 D N 2.586 123.018 120.400 0.053 0.000 2.488 323 D HA 0.438 5.078 4.640 -0.000 0.000 0.238 323 D C 0.636 176.982 176.300 0.077 0.000 1.138 323 D CA 0.474 54.499 54.000 0.042 0.000 0.873 323 D CB 0.520 41.318 40.800 -0.004 0.000 1.183 323 D HN 0.300 nan 8.370 nan 0.000 0.458 324 Q N 1.381 121.208 119.800 0.045 0.000 2.235 324 Q HA 0.423 4.763 4.340 -0.000 0.000 0.250 324 Q C -0.154 175.879 176.000 0.055 0.000 0.909 324 Q CA -0.251 55.568 55.803 0.026 0.000 0.910 324 Q CB 1.621 30.347 28.738 -0.019 0.000 1.223 324 Q HN 0.461 nan 8.270 nan 0.000 0.432 325 M N 1.581 121.215 119.600 0.056 0.000 2.227 325 M HA 0.421 4.901 4.480 -0.000 0.000 0.335 325 M C -0.446 175.883 176.300 0.048 0.000 1.053 325 M CA -0.492 54.889 55.300 0.135 0.000 0.973 325 M CB 1.819 34.569 32.600 0.251 0.000 1.623 325 M HN 0.653 nan 8.290 nan 0.000 0.434 326 S N 2.703 118.468 115.700 0.108 0.000 2.550 326 S HA 0.873 5.343 4.470 -0.000 0.000 0.270 326 S C -1.715 173.035 174.600 0.251 0.000 1.145 326 S CA -0.875 57.330 58.200 0.008 0.000 0.852 326 S CB 2.091 65.234 63.200 -0.095 0.000 1.119 326 S HN 0.963 nan 8.310 nan 0.000 0.465 327 W N -0.602 120.885 121.300 0.311 0.000 2.989 327 W HA 0.739 5.399 4.660 -0.000 0.000 0.344 327 W C -1.631 175.045 176.519 0.262 0.000 1.233 327 W CA -0.818 56.703 57.345 0.293 0.000 1.187 327 W CB 1.019 30.698 29.460 0.365 0.000 1.443 327 W HN 0.747 nan 8.180 nan 0.000 0.573 328 S N 0.609 116.751 115.700 0.737 0.000 2.513 328 S HA 0.848 5.318 4.470 -0.000 0.000 0.299 328 S C -0.917 173.893 174.600 0.349 0.000 1.087 328 S CA -0.248 58.242 58.200 0.484 0.000 1.012 328 S CB 1.433 64.801 63.200 0.280 0.000 1.044 328 S HN 0.862 nan 8.310 nan 0.000 0.485 329 A N 2.459 125.401 122.820 0.202 0.000 2.515 329 A HA 0.861 5.181 4.320 -0.000 0.000 0.298 329 A C -0.924 176.567 177.584 -0.156 0.000 1.059 329 A CA -0.578 51.284 52.037 -0.292 0.000 0.698 329 A CB 1.872 20.385 19.000 -0.811 0.000 1.289 329 A HN 0.642 nan 8.150 nan 0.000 0.404 330 S N -0.697 114.837 115.700 -0.277 0.000 2.541 330 S HA 0.931 5.401 4.470 -0.000 0.000 0.280 330 S C -0.268 174.228 174.600 -0.173 0.000 1.112 330 S CA 0.005 58.112 58.200 -0.154 0.000 0.925 330 S CB 2.045 65.174 63.200 -0.119 0.000 1.067 330 S HN 2.143 nan 8.310 nan 0.000 0.479 331 G N 0.969 109.697 108.800 -0.119 0.000 2.384 331 G HA2 0.482 4.442 3.960 -0.000 0.000 0.300 331 G HA3 0.482 4.442 3.960 -0.000 0.000 0.300 331 G C -1.663 173.159 174.900 -0.130 0.000 1.582 331 G CA -0.568 44.465 45.100 -0.111 0.000 0.875 331 G HN 0.624 nan 8.290 nan 0.000 0.628 332 S N -0.451 115.163 115.700 -0.144 0.000 2.526 332 S HA 0.822 5.292 4.470 -0.000 0.000 0.293 332 S C -0.342 174.112 174.600 -0.243 0.000 1.092 332 S CA -0.625 57.466 58.200 -0.182 0.000 0.980 332 S CB 1.480 64.603 63.200 -0.128 0.000 1.048 332 S HN 0.623 nan 8.310 nan 0.000 0.483 333 L N 1.605 122.653 121.223 -0.292 0.000 2.341 333 L HA 0.912 5.252 4.340 -0.000 0.000 0.267 333 L C -0.288 176.472 176.870 -0.182 0.000 1.009 333 L CA -1.018 53.627 54.840 -0.325 0.000 0.819 333 L CB 1.715 43.513 42.059 -0.436 0.000 1.323 333 L HN 0.708 nan 8.230 nan 0.000 0.425 334 A N 1.748 124.495 122.820 -0.123 0.000 2.311 334 A HA 0.719 5.039 4.320 -0.000 0.000 0.306 334 A C -0.837 176.739 177.584 -0.014 0.000 1.189 334 A CA -0.490 51.517 52.037 -0.050 0.000 0.791 334 A CB 1.276 20.255 19.000 -0.035 0.000 1.172 334 A HN 0.372 nan 8.150 nan 0.000 0.481 335 V N 2.861 122.800 119.914 0.042 0.000 2.364 335 V HA 0.402 4.522 4.120 -0.000 0.000 0.272 335 V C 0.215 176.352 176.094 0.072 0.000 1.036 335 V CA -0.117 62.228 62.300 0.075 0.000 0.880 335 V CB 1.278 33.179 31.823 0.129 0.000 0.991 335 V HN 0.867 nan 8.190 nan 0.000 0.460 336 T N 6.679 121.219 114.554 -0.024 0.000 2.756 336 T HA 0.496 4.846 4.350 -0.000 0.000 0.290 336 T C -0.118 174.441 174.700 -0.236 0.000 0.985 336 T CA -0.272 61.764 62.100 -0.107 0.000 0.955 336 T CB 0.492 69.289 68.868 -0.118 0.000 0.930 336 T HN 0.319 nan 8.240 nan 0.000 0.451 337 I N 4.052 124.542 120.570 -0.133 0.000 2.297 337 I HA 0.204 4.374 4.170 -0.000 0.000 0.291 337 I C 0.636 176.680 176.117 -0.121 0.000 1.033 337 I CA -0.780 60.446 61.300 -0.124 0.000 1.253 337 I CB -0.306 37.706 38.000 0.021 0.000 1.396 337 I HN 0.673 nan 8.210 nan 0.000 0.476 338 H N 4.649 123.741 119.070 0.038 0.000 3.070 338 H HA 0.221 4.777 4.556 -0.000 0.000 0.313 338 H C 1.439 176.779 175.328 0.020 0.000 0.997 338 H CA 0.959 57.021 56.048 0.024 0.000 1.438 338 H CB 0.407 30.181 29.762 0.019 0.000 1.455 338 H HN 0.966 nan 8.280 nan 0.000 0.575 339 G N 2.597 111.477 108.800 0.133 0.000 2.180 339 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.263 339 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.263 339 G C 1.556 176.507 174.900 0.084 0.000 0.989 339 G CA 0.612 45.761 45.100 0.082 0.000 0.692 339 G HN 0.924 nan 8.290 nan 0.000 0.526 340 G N 0.154 108.991 108.800 0.062 0.000 2.450 340 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 340 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 340 G C 1.291 176.215 174.900 0.040 0.000 1.130 340 G CA 1.313 46.441 45.100 0.048 0.000 0.760 340 G HN 0.525 nan 8.290 nan 0.000 0.557 341 N N -0.884 117.834 118.700 0.030 0.000 2.322 341 N HA 0.080 4.820 4.740 -0.000 0.000 0.194 341 N C -0.397 175.134 175.510 0.035 0.000 1.126 341 N CA -0.481 52.573 53.050 0.006 0.000 0.845 341 N CB -0.050 38.418 38.487 -0.032 0.000 0.976 341 N HN 0.432 nan 8.380 nan 0.000 0.475 342 Y N 2.566 122.841 120.300 -0.042 0.000 2.496 342 Y HA 0.204 4.753 4.550 -0.000 0.000 0.334 342 Y C -2.163 173.702 175.900 -0.058 0.000 1.080 342 Y CA -2.149 55.921 58.100 -0.051 0.000 1.355 342 Y CB 0.557 38.979 38.460 -0.062 0.000 1.193 342 Y HN -0.003 nan 8.280 nan 0.000 0.523 343 P HA 0.088 nan 4.420 nan 0.000 0.260 343 P C 0.486 177.661 177.300 -0.208 0.000 1.185 343 P CA 2.018 64.925 63.100 -0.322 0.000 0.763 343 P CB 0.439 31.908 31.700 -0.386 0.000 0.776 344 G N 3.036 111.817 108.800 -0.032 0.000 2.254 344 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.225 344 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.225 344 G C 1.150 176.145 174.900 0.157 0.000 1.003 344 G CA 0.323 45.469 45.100 0.076 0.000 0.622 344 G HN 0.632 nan 8.290 nan 0.000 0.507 345 A N -0.334 122.569 122.820 0.138 0.000 1.929 345 A HA 0.591 4.911 4.320 -0.000 0.000 0.216 345 A C 2.223 179.917 177.584 0.184 0.000 1.176 345 A CA 1.936 54.041 52.037 0.115 0.000 0.628 345 A CB -0.165 18.889 19.000 0.091 0.000 0.816 345 A HN 0.865 nan 8.150 nan 0.000 0.444 346 L N -2.269 119.041 121.223 0.145 0.000 2.953 346 L HA 0.215 4.555 4.340 -0.000 0.000 0.258 346 L C 0.639 177.619 176.870 0.184 0.000 1.100 346 L CA -0.100 54.823 54.840 0.137 0.000 0.971 346 L CB 0.383 42.503 42.059 0.102 0.000 1.474 346 L HN 0.436 nan 8.230 nan 0.000 0.540 347 R N 0.561 121.134 120.500 0.123 0.000 2.807 347 R HA 0.599 4.939 4.340 -0.000 0.000 0.276 347 R C -2.976 173.360 176.300 0.060 0.000 0.979 347 R CA -1.709 54.436 56.100 0.074 0.000 0.928 347 R CB 1.538 31.823 30.300 -0.025 0.000 1.191 347 R HN -0.287 nan 8.270 nan 0.000 0.471 348 P HA 0.260 nan 4.420 nan 0.000 0.297 348 P C -0.860 176.519 177.300 0.130 0.000 1.307 348 P CA -0.610 62.502 63.100 0.020 0.000 0.773 348 P CB 1.082 32.764 31.700 -0.031 0.000 1.265 349 V N -0.576 119.419 119.914 0.134 0.000 2.789 349 V HA 0.369 4.489 4.120 -0.000 0.000 0.311 349 V C -0.141 176.019 176.094 0.109 0.000 1.073 349 V CA -0.293 62.095 62.300 0.148 0.000 0.921 349 V CB 2.149 34.087 31.823 0.191 0.000 1.009 349 V HN 0.529 nan 8.190 nan 0.000 0.426 350 T N 6.095 120.689 114.554 0.067 0.000 2.791 350 T HA 0.596 4.946 4.350 -0.000 0.000 0.288 350 T C -0.515 174.223 174.700 0.063 0.000 0.999 350 T CA -0.255 61.896 62.100 0.085 0.000 0.952 350 T CB 0.562 69.494 68.868 0.107 0.000 0.938 350 T HN 0.330 nan 8.240 nan 0.000 0.444 351 L N 3.593 124.828 121.223 0.021 0.000 2.295 351 L HA 0.670 5.010 4.340 -0.000 0.000 0.285 351 L C -0.506 176.371 176.870 0.012 0.000 1.035 351 L CA -1.084 53.734 54.840 -0.038 0.000 0.806 351 L CB 1.613 43.621 42.059 -0.086 0.000 1.214 351 L HN 0.303 nan 8.230 nan 0.000 0.426 352 V N 2.780 122.706 119.914 0.020 0.000 2.376 352 V HA 0.591 4.711 4.120 -0.000 0.000 0.287 352 V C 0.166 176.322 176.094 0.103 0.000 1.015 352 V CA -0.445 61.909 62.300 0.090 0.000 0.834 352 V CB 1.482 33.412 31.823 0.177 0.000 1.001 352 V HN 0.870 nan 8.190 nan 0.000 0.428 353 A N 5.411 128.291 122.820 0.101 0.000 2.324 353 A HA 0.962 5.282 4.320 -0.000 0.000 0.330 353 A C -1.032 176.770 177.584 0.362 0.000 1.165 353 A CA -0.504 51.621 52.037 0.147 0.000 0.813 353 A CB 1.124 20.188 19.000 0.106 0.000 1.197 353 A HN 1.039 nan 8.150 nan 0.000 0.484 354 Y N -0.339 120.161 120.300 0.333 0.000 2.512 354 Y HA 0.780 5.330 4.550 -0.000 0.000 0.348 354 Y C -0.466 175.501 175.900 0.112 0.000 0.990 354 Y CA -0.995 57.270 58.100 0.275 0.000 1.033 354 Y CB 1.360 39.915 38.460 0.159 0.000 1.259 354 Y HN 0.866 nan 8.280 nan 0.000 0.461 355 E N 1.284 121.498 120.200 0.025 0.000 2.413 355 E HA 0.587 4.937 4.350 -0.000 0.000 0.277 355 E C -0.648 175.904 176.600 -0.080 0.000 0.958 355 E CA -1.316 54.986 56.400 -0.163 0.000 0.779 355 E CB 1.633 31.003 29.700 -0.550 0.000 1.278 355 E HN 0.620 nan 8.360 nan 0.000 0.456 356 R N -0.702 119.769 120.500 -0.048 0.000 3.878 356 R HA -0.095 4.245 4.340 -0.000 0.000 0.330 356 R C -0.622 175.694 176.300 0.028 0.000 1.186 356 R CA 0.808 56.894 56.100 -0.024 0.000 0.885 356 R CB -2.703 27.563 30.300 -0.057 0.000 1.377 356 R HN 0.471 nan 8.270 nan 0.000 0.523 357 V N 1.023 120.987 119.914 0.084 0.000 2.607 357 V HA 0.536 4.656 4.120 -0.000 0.000 0.289 357 V C 1.336 177.462 176.094 0.053 0.000 1.053 357 V CA -0.280 62.062 62.300 0.071 0.000 0.996 357 V CB 1.727 33.602 31.823 0.085 0.000 0.995 357 V HN 0.359 nan 8.190 nan 0.000 0.476 358 A N 3.563 126.400 122.820 0.028 0.000 2.546 358 A HA 0.321 4.641 4.320 -0.000 0.000 0.243 358 A C 0.791 178.392 177.584 0.029 0.000 1.063 358 A CA 0.041 52.092 52.037 0.023 0.000 0.757 358 A CB -0.418 18.590 19.000 0.013 0.000 0.991 358 A HN 0.886 nan 8.150 nan 0.000 0.503 359 T N 1.963 116.537 114.554 0.032 0.000 2.934 359 T HA 0.393 4.743 4.350 -0.000 0.000 0.306 359 T C 1.557 176.273 174.700 0.027 0.000 1.042 359 T CA 1.434 63.556 62.100 0.037 0.000 1.145 359 T CB 0.461 69.347 68.868 0.030 0.000 0.982 359 T HN 2.062 nan 8.240 nan 0.000 0.544 360 G N 2.737 111.555 108.800 0.030 0.000 2.179 360 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 360 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 360 G C 0.454 175.360 174.900 0.010 0.000 0.977 360 G CA 0.157 45.270 45.100 0.020 0.000 0.641 360 G HN 0.783 nan 8.290 nan 0.000 0.533 361 S N -1.195 114.508 115.700 0.004 0.000 2.617 361 S HA 0.564 5.034 4.470 -0.000 0.000 0.259 361 S C 0.475 175.058 174.600 -0.029 0.000 1.301 361 S CA -0.054 58.137 58.200 -0.015 0.000 0.984 361 S CB 1.931 65.115 63.200 -0.027 0.000 0.954 361 S HN 0.687 nan 8.310 nan 0.000 0.572 362 V N 2.142 122.031 119.914 -0.041 0.000 2.384 362 V HA 0.346 4.466 4.120 -0.000 0.000 0.287 362 V C -0.464 175.576 176.094 -0.090 0.000 1.020 362 V CA -0.572 61.698 62.300 -0.050 0.000 0.850 362 V CB 1.522 33.328 31.823 -0.027 0.000 0.987 362 V HN 0.600 nan 8.190 nan 0.000 0.436 363 V N 4.469 124.297 119.914 -0.143 0.000 2.350 363 V HA 0.339 4.459 4.120 -0.000 0.000 0.276 363 V C 0.469 176.494 176.094 -0.114 0.000 1.028 363 V CA -0.177 62.009 62.300 -0.190 0.000 0.860 363 V CB 1.754 33.352 31.823 -0.376 0.000 0.990 363 V HN 0.931 nan 8.190 nan 0.000 0.453 364 T N 5.296 119.815 114.554 -0.058 0.000 2.767 364 T HA 0.530 4.880 4.350 -0.000 0.000 0.288 364 T C -0.178 174.537 174.700 0.026 0.000 0.963 364 T CA -0.224 61.871 62.100 -0.008 0.000 1.019 364 T CB 1.313 70.180 68.868 -0.003 0.000 0.923 364 T HN 0.356 nan 8.240 nan 0.000 0.468 365 V N 2.410 122.371 119.914 0.079 0.000 2.513 365 V HA 0.880 5.000 4.120 -0.000 0.000 0.299 365 V C -0.123 176.050 176.094 0.132 0.000 1.035 365 V CA -0.877 61.505 62.300 0.137 0.000 0.889 365 V CB 1.534 33.489 31.823 0.220 0.000 0.988 365 V HN 1.068 nan 8.190 nan 0.000 0.440 366 A N 3.037 125.912 122.820 0.093 0.000 2.456 366 A HA 0.934 5.254 4.320 -0.000 0.000 0.288 366 A C -0.247 177.351 177.584 0.024 0.000 1.042 366 A CA 0.169 52.240 52.037 0.056 0.000 0.738 366 A CB 1.655 20.672 19.000 0.027 0.000 1.266 366 A HN 1.331 nan 8.150 nan 0.000 0.407 367 G N -0.359 108.458 108.800 0.028 0.000 2.721 367 G HA2 0.680 4.640 3.960 -0.000 0.000 0.296 367 G HA3 0.680 4.640 3.960 -0.000 0.000 0.296 367 G C -1.775 173.126 174.900 0.001 0.000 1.383 367 G CA -0.460 44.632 45.100 -0.014 0.000 0.788 367 G HN 1.254 nan 8.290 nan 0.000 0.500 368 V N 0.005 119.903 119.914 -0.028 0.000 2.709 368 V HA 0.716 4.835 4.120 -0.000 0.000 0.308 368 V C -0.393 175.667 176.094 -0.057 0.000 1.062 368 V CA -0.710 61.580 62.300 -0.017 0.000 0.901 368 V CB 2.001 33.809 31.823 -0.024 0.000 1.003 368 V HN 0.763 nan 8.190 nan 0.000 0.425 369 S N 3.728 119.401 115.700 -0.045 0.000 2.502 369 S HA 0.572 5.042 4.470 -0.000 0.000 0.304 369 S C -0.695 173.673 174.600 -0.386 0.000 1.097 369 S CA -0.803 57.260 58.200 -0.229 0.000 1.045 369 S CB 1.186 64.334 63.200 -0.087 0.000 1.019 369 S HN 0.741 nan 8.310 nan 0.000 0.481 370 N N 1.929 120.292 118.700 -0.562 0.000 2.372 370 N HA 0.630 5.369 4.740 -0.000 0.000 0.291 370 N C -1.403 173.744 175.510 -0.606 0.000 1.024 370 N CA -0.192 52.628 53.050 -0.383 0.000 0.873 370 N CB 1.268 39.656 38.487 -0.165 0.000 1.206 370 N HN 0.395 nan 8.380 nan 0.000 0.486 371 F N -0.180 119.774 119.950 0.006 0.000 2.620 371 F HA 0.398 4.925 4.527 -0.000 0.000 0.320 371 F C 0.485 176.277 175.800 -0.014 0.000 1.069 371 F CA -0.899 57.087 58.000 -0.023 0.000 0.953 371 F CB 1.696 40.655 39.000 -0.069 0.000 1.322 371 F HN 0.119 nan 8.300 nan 0.000 0.479 372 E N 2.149 122.446 120.200 0.162 0.000 2.151 372 E HA 0.678 5.028 4.350 -0.000 0.000 0.275 372 E C -1.268 175.429 176.600 0.161 0.000 0.936 372 E CA -0.531 55.929 56.400 0.100 0.000 0.777 372 E CB 2.075 31.633 29.700 -0.238 0.000 1.108 372 E HN 0.413 nan 8.360 nan 0.000 0.401 373 L N 3.017 124.381 121.223 0.236 0.000 2.376 373 L HA 0.599 4.939 4.340 -0.000 0.000 0.258 373 L C -0.655 176.408 176.870 0.322 0.000 1.013 373 L CA -0.915 54.031 54.840 0.177 0.000 0.822 373 L CB 1.984 43.869 42.059 -0.290 0.000 1.388 373 L HN 0.427 nan 8.230 nan 0.000 0.413 374 I N 3.132 123.919 120.570 0.361 0.000 2.418 374 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 374 I C -2.219 174.130 176.117 0.386 0.000 1.008 374 I CA -1.903 59.582 61.300 0.308 0.000 1.104 374 I CB 2.228 40.374 38.000 0.243 0.000 1.264 374 I HN 0.275 nan 8.210 nan 0.000 0.438 375 P HA 0.037 nan 4.420 nan 0.000 0.270 375 P C -0.976 176.349 177.300 0.041 0.000 1.223 375 P CA -0.297 62.881 63.100 0.130 0.000 0.785 375 P CB 0.507 32.223 31.700 0.027 0.000 0.923 376 N N 1.962 120.617 118.700 -0.074 0.000 2.347 376 N HA 0.110 4.850 4.740 -0.000 0.000 0.253 376 N C -1.987 173.497 175.510 -0.042 0.000 1.274 376 N CA -1.828 51.193 53.050 -0.049 0.000 0.941 376 N CB -1.549 36.887 38.487 -0.084 0.000 1.200 376 N HN 0.146 nan 8.380 nan 0.000 0.514 377 P HA -0.157 nan 4.420 nan 0.000 0.215 377 P C 1.027 178.307 177.300 -0.034 0.000 1.157 377 P CA 1.649 64.735 63.100 -0.023 0.000 0.874 377 P CB 0.169 31.858 31.700 -0.017 0.000 0.790 378 E N -0.945 119.227 120.200 -0.047 0.000 2.047 378 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 378 E C 1.792 178.356 176.600 -0.059 0.000 0.987 378 E CA 0.830 57.201 56.400 -0.049 0.000 0.799 378 E CB -1.072 28.597 29.700 -0.053 0.000 0.752 378 E HN 0.002 nan 8.360 nan 0.000 0.449 379 L N -0.011 121.157 121.223 -0.091 0.000 2.141 379 L HA 0.061 4.401 4.340 -0.000 0.000 0.209 379 L C 1.989 178.820 176.870 -0.064 0.000 1.094 379 L CA 1.683 56.459 54.840 -0.107 0.000 0.763 379 L CB -0.743 41.187 42.059 -0.214 0.000 0.908 379 L HN 0.164 nan 8.230 nan 0.000 0.437 380 A N -0.854 121.938 122.820 -0.046 0.000 2.076 380 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 380 A C 2.245 179.820 177.584 -0.015 0.000 1.160 380 A CA 1.758 53.784 52.037 -0.018 0.000 0.653 380 A CB -0.507 18.488 19.000 -0.008 0.000 0.801 380 A HN 0.491 nan 8.150 nan 0.000 0.455 381 K N -1.006 119.381 120.400 -0.021 0.000 2.365 381 K HA -0.031 4.289 4.320 -0.000 0.000 0.199 381 K C 0.756 177.349 176.600 -0.013 0.000 1.045 381 K CA 1.399 57.676 56.287 -0.016 0.000 0.962 381 K CB -0.072 32.417 32.500 -0.018 0.000 0.759 381 K HN 0.618 nan 8.250 nan 0.000 0.469 382 N N -0.771 117.920 118.700 -0.015 0.000 2.143 382 N HA 0.161 4.900 4.740 -0.000 0.000 0.222 382 N C -1.051 174.459 175.510 0.000 0.000 1.264 382 N CA -0.133 52.912 53.050 -0.008 0.000 0.897 382 N CB 0.978 39.458 38.487 -0.011 0.000 1.092 382 N HN -0.113 nan 8.380 nan 0.000 0.516 383 L N 1.813 123.038 121.223 0.002 0.000 2.294 383 L HA 0.481 4.821 4.340 -0.000 0.000 0.283 383 L C -0.355 176.527 176.870 0.019 0.000 1.015 383 L CA -0.763 54.090 54.840 0.023 0.000 0.831 383 L CB 1.731 43.817 42.059 0.044 0.000 1.217 383 L HN -0.151 nan 8.230 nan 0.000 0.420 384 V N 2.729 122.651 119.914 0.014 0.000 2.715 384 V HA 0.205 4.325 4.120 -0.000 0.000 0.299 384 V C 0.705 176.791 176.094 -0.012 0.000 1.054 384 V CA 0.071 62.370 62.300 -0.002 0.000 1.077 384 V CB 1.618 33.439 31.823 -0.003 0.000 0.972 384 V HN 0.897 nan 8.190 nan 0.000 0.484 385 T N 2.250 116.778 114.554 -0.044 0.000 2.887 385 T HA 0.809 5.159 4.350 -0.000 0.000 0.288 385 T C -0.742 173.863 174.700 -0.158 0.000 1.021 385 T CA -0.851 61.195 62.100 -0.090 0.000 1.000 385 T CB 2.399 71.219 68.868 -0.081 0.000 1.034 385 T HN 0.658 nan 8.240 nan 0.000 0.467 386 E N -0.078 119.973 120.200 -0.249 0.000 2.446 386 E HA 0.361 4.711 4.350 -0.000 0.000 0.276 386 E C -0.438 175.952 176.600 -0.349 0.000 0.969 386 E CA -0.885 55.367 56.400 -0.246 0.000 0.800 386 E CB 1.693 31.321 29.700 -0.120 0.000 1.341 386 E HN 0.695 nan 8.360 nan 0.000 0.460 387 Y N 0.702 120.960 120.300 -0.072 0.000 2.395 387 Y HA 0.155 4.705 4.550 -0.000 0.000 0.293 387 Y C 1.062 176.983 175.900 0.036 0.000 1.123 387 Y CA 1.278 59.381 58.100 0.005 0.000 1.227 387 Y CB 0.587 39.063 38.460 0.028 0.000 1.012 387 Y HN 0.688 nan 8.280 nan 0.000 0.552 388 G N 1.075 109.947 108.800 0.120 0.000 2.907 388 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 388 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 388 G C -0.642 174.362 174.900 0.172 0.000 1.115 388 G CA -0.658 44.520 45.100 0.130 0.000 0.760 388 G HN 0.503 nan 8.290 nan 0.000 0.620 389 R N 0.978 121.559 120.500 0.135 0.000 2.474 389 R HA 0.166 4.506 4.340 -0.000 0.000 0.290 389 R C -0.060 176.346 176.300 0.177 0.000 0.918 389 R CA 0.070 56.250 56.100 0.134 0.000 1.130 389 R CB 0.206 30.558 30.300 0.086 0.000 0.881 389 R HN 1.114 nan 8.270 nan 0.000 0.416 390 F N 3.569 123.539 119.950 0.034 0.000 2.438 390 F HA 0.247 4.774 4.527 -0.000 0.000 0.356 390 F C -0.593 175.217 175.800 0.016 0.000 1.099 390 F CA -1.079 56.933 58.000 0.019 0.000 1.185 390 F CB 1.116 40.120 39.000 0.007 0.000 1.115 390 F HN 0.733 nan 8.300 nan 0.000 0.526 391 D N 9.001 129.018 120.400 -0.638 0.000 2.429 391 D HA 0.253 4.893 4.640 -0.000 0.000 0.255 391 D C -1.682 174.239 176.300 -0.632 0.000 1.257 391 D CA -1.855 51.821 54.000 -0.539 0.000 0.890 391 D CB 1.282 41.964 40.800 -0.197 0.000 1.267 391 D HN 0.256 nan 8.370 nan 0.000 0.521 392 P HA -0.167 nan 4.420 nan 0.000 0.219 392 P C 1.111 178.305 177.300 -0.177 0.000 1.158 392 P CA 1.471 64.263 63.100 -0.513 0.000 0.895 392 P CB 0.261 31.746 31.700 -0.358 0.000 0.792 393 G N -1.692 107.023 108.800 -0.141 0.000 3.126 393 G HA2 0.281 4.241 3.960 -0.000 0.000 0.224 393 G HA3 0.281 4.241 3.960 -0.000 0.000 0.224 393 G C 1.582 176.497 174.900 0.025 0.000 1.142 393 G CA 0.554 45.634 45.100 -0.034 0.000 0.759 393 G HN 0.395 nan 8.290 nan 0.000 0.550 394 A N 0.977 123.787 122.820 -0.016 0.000 1.892 394 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 394 A C 2.205 179.848 177.584 0.099 0.000 1.188 394 A CA 2.210 54.286 52.037 0.066 0.000 0.631 394 A CB -0.289 18.720 19.000 0.014 0.000 0.822 394 A HN 0.404 nan 8.150 nan 0.000 0.447 395 M N 0.299 119.901 119.600 0.004 0.000 2.132 395 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 395 M C 1.482 177.824 176.300 0.069 0.000 1.065 395 M CA 1.744 57.037 55.300 -0.012 0.000 1.122 395 M CB -0.782 31.785 32.600 -0.056 0.000 1.365 395 M HN 0.404 nan 8.290 nan 0.000 0.411 396 N N -0.884 117.868 118.700 0.087 0.000 2.120 396 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 396 N C 1.721 177.316 175.510 0.141 0.000 1.024 396 N CA 1.428 54.540 53.050 0.102 0.000 0.852 396 N CB -0.683 37.864 38.487 0.100 0.000 1.003 396 N HN 0.477 nan 8.380 nan 0.000 0.424 397 Y N 1.987 122.320 120.300 0.055 0.000 2.224 397 Y HA -0.141 4.409 4.550 -0.000 0.000 0.289 397 Y C 2.320 178.285 175.900 0.109 0.000 1.146 397 Y CA 1.345 59.492 58.100 0.079 0.000 1.182 397 Y CB -0.554 37.953 38.460 0.078 0.000 0.983 397 Y HN 0.033 nan 8.280 nan 0.000 0.524 398 T N 0.057 114.696 114.554 0.140 0.000 2.708 398 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 398 T C 1.848 176.594 174.700 0.078 0.000 1.037 398 T CA 1.769 63.954 62.100 0.143 0.000 1.146 398 T CB -0.158 68.877 68.868 0.278 0.000 0.865 398 T HN 0.265 nan 8.240 nan 0.000 0.435 399 K N 0.548 120.994 120.400 0.078 0.000 2.057 399 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 399 K C 2.243 178.845 176.600 0.004 0.000 1.049 399 K CA 0.927 57.246 56.287 0.055 0.000 0.931 399 K CB -0.408 32.125 32.500 0.056 0.000 0.714 399 K HN 0.147 nan 8.250 nan 0.000 0.440 400 L N 1.558 122.761 121.223 -0.034 0.000 2.017 400 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 400 L C 1.961 178.770 176.870 -0.101 0.000 1.073 400 L CA 1.570 56.368 54.840 -0.070 0.000 0.745 400 L CB -0.375 41.624 42.059 -0.099 0.000 0.894 400 L HN 0.074 nan 8.230 nan 0.000 0.432 401 I N -0.313 120.155 120.570 -0.171 0.000 2.127 401 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 401 I C 2.610 178.704 176.117 -0.038 0.000 1.075 401 I CA 1.602 62.833 61.300 -0.115 0.000 1.334 401 I CB -1.346 36.576 38.000 -0.129 0.000 1.040 401 I HN 0.321 nan 8.210 nan 0.000 0.405 402 L N 0.739 121.952 121.223 -0.017 0.000 2.083 402 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 402 L C 2.719 179.579 176.870 -0.017 0.000 1.083 402 L CA 1.629 56.465 54.840 -0.007 0.000 0.752 402 L CB -0.709 41.360 42.059 0.016 0.000 0.899 402 L HN 0.350 nan 8.230 nan 0.000 0.433 403 S N -1.039 114.652 115.700 -0.016 0.000 2.423 403 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 403 S C 1.495 176.084 174.600 -0.018 0.000 1.014 403 S CA 0.687 58.877 58.200 -0.016 0.000 0.965 403 S CB -0.128 63.065 63.200 -0.011 0.000 0.785 403 S HN 0.360 nan 8.310 nan 0.000 0.495 404 E N 1.086 121.275 120.200 -0.018 0.000 2.419 404 E HA 0.188 4.538 4.350 -0.000 0.000 0.190 404 E C 1.583 178.176 176.600 -0.011 0.000 1.040 404 E CA -0.214 56.179 56.400 -0.012 0.000 0.900 404 E CB -0.178 29.518 29.700 -0.007 0.000 1.054 404 E HN 0.611 nan 8.360 nan 0.000 0.462 405 R N 1.343 121.830 120.500 -0.022 0.000 2.134 405 R HA -0.245 4.095 4.340 -0.000 0.000 0.248 405 R C 1.124 177.393 176.300 -0.052 0.000 1.143 405 R CA 1.817 57.895 56.100 -0.036 0.000 0.957 405 R CB 0.241 30.509 30.300 -0.053 0.000 0.867 405 R HN -0.020 nan 8.270 nan 0.000 0.441 406 E N -0.166 120.004 120.200 -0.049 0.000 2.072 406 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 406 E C 2.022 178.599 176.600 -0.038 0.000 0.985 406 E CA 1.405 57.772 56.400 -0.055 0.000 0.801 406 E CB -0.222 29.450 29.700 -0.047 0.000 0.750 406 E HN 0.344 nan 8.360 nan 0.000 0.452 407 R N 0.323 120.812 120.500 -0.019 0.000 2.092 407 R HA -0.052 4.288 4.340 -0.000 0.000 0.231 407 R C 1.694 177.999 176.300 0.008 0.000 1.119 407 R CA 1.056 57.154 56.100 -0.004 0.000 0.970 407 R CB -0.141 30.160 30.300 0.002 0.000 0.864 407 R HN 0.208 nan 8.270 nan 0.000 0.440 408 L N -0.228 121.006 121.223 0.018 0.000 2.509 408 L HA 0.245 4.585 4.340 -0.000 0.000 0.222 408 L C 1.007 177.916 176.870 0.064 0.000 1.123 408 L CA 0.447 55.326 54.840 0.064 0.000 0.856 408 L CB 0.214 42.347 42.059 0.124 0.000 0.985 408 L HN 0.570 nan 8.230 nan 0.000 0.456 409 G N 1.556 110.341 108.800 -0.025 0.000 2.246 409 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.273 409 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.273 409 G C 0.104 174.840 174.900 -0.274 0.000 1.055 409 G CA -0.183 44.844 45.100 -0.122 0.000 0.851 409 G HN 0.318 nan 8.290 nan 0.000 0.500 410 I N 0.618 121.063 120.570 -0.209 0.000 2.347 410 I HA 0.217 4.387 4.170 -0.000 0.000 0.294 410 I C 0.874 176.751 176.117 -0.400 0.000 1.090 410 I CA 0.002 61.153 61.300 -0.250 0.000 1.314 410 I CB 0.460 38.413 38.000 -0.078 0.000 1.423 410 I HN 0.080 nan 8.210 nan 0.000 0.503 411 K N 3.201 123.077 120.400 -0.873 0.000 2.106 411 K HA 0.354 4.674 4.320 -0.000 0.000 0.246 411 K C 1.155 177.489 176.600 -0.443 0.000 0.987 411 K CA -0.483 55.274 56.287 -0.884 0.000 0.904 411 K CB 1.190 32.751 32.500 -1.565 0.000 1.071 411 K HN 0.576 nan 8.250 nan 0.000 0.453 412 T N -3.245 111.132 114.554 -0.295 0.000 3.037 412 T HA 0.081 4.431 4.350 -0.000 0.000 0.252 412 T C 0.540 175.208 174.700 -0.054 0.000 1.073 412 T CA -0.162 61.877 62.100 -0.101 0.000 1.091 412 T CB -0.076 68.742 68.868 -0.084 0.000 0.935 412 T HN 0.343 nan 8.240 nan 0.000 0.488 413 V N -1.604 118.213 119.914 -0.161 0.000 2.577 413 V HA 0.844 4.964 4.120 -0.000 0.000 0.303 413 V C -1.935 174.108 176.094 -0.084 0.000 1.042 413 V CA -1.626 60.651 62.300 -0.038 0.000 0.872 413 V CB 1.015 32.818 31.823 -0.033 0.000 0.998 413 V HN 0.353 nan 8.190 nan 0.000 0.423 414 W N 3.742 124.991 121.300 -0.085 0.000 2.950 414 W HA 0.768 5.428 4.660 -0.000 0.000 0.340 414 W C -2.745 173.779 176.519 0.009 0.000 1.139 414 W CA -2.443 54.883 57.345 -0.032 0.000 1.188 414 W CB 1.664 31.120 29.460 -0.007 0.000 1.426 414 W HN 0.346 nan 8.180 nan 0.000 0.531 415 P HA 0.104 nan 4.420 nan 0.000 0.281 415 P C 0.680 178.129 177.300 0.248 0.000 1.252 415 P CA 0.158 63.380 63.100 0.204 0.000 0.778 415 P CB 1.340 33.141 31.700 0.168 0.000 0.895 416 T N 3.185 117.847 114.554 0.180 0.000 2.737 416 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 416 T C 1.770 176.575 174.700 0.174 0.000 1.040 416 T CA 1.911 64.113 62.100 0.169 0.000 1.142 416 T CB -0.351 68.583 68.868 0.109 0.000 0.861 416 T HN 0.568 nan 8.240 nan 0.000 0.456 417 R N 1.541 122.128 120.500 0.145 0.000 2.105 417 R HA -0.074 4.266 4.340 -0.000 0.000 0.239 417 R C 2.017 178.409 176.300 0.154 0.000 1.135 417 R CA 1.881 58.055 56.100 0.123 0.000 0.967 417 R CB -0.353 30.008 30.300 0.102 0.000 0.861 417 R HN 0.401 nan 8.270 nan 0.000 0.442 418 E N -0.398 119.939 120.200 0.227 0.000 2.152 418 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 418 E C 1.590 178.387 176.600 0.328 0.000 0.983 418 E CA 1.016 57.599 56.400 0.304 0.000 0.818 418 E CB -0.178 29.752 29.700 0.382 0.000 0.758 418 E HN 0.394 nan 8.360 nan 0.000 0.467 419 Y N 1.601 121.960 120.300 0.097 0.000 2.200 419 Y HA -0.201 4.349 4.550 -0.000 0.000 0.290 419 Y C 2.329 178.145 175.900 -0.140 0.000 1.137 419 Y CA 1.613 59.496 58.100 -0.363 0.000 1.163 419 Y CB -0.446 37.656 38.460 -0.597 0.000 0.988 419 Y HN -0.110 nan 8.280 nan 0.000 0.518 420 T N 0.380 114.857 114.554 -0.129 0.000 2.746 420 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 420 T C 1.373 176.007 174.700 -0.109 0.000 1.039 420 T CA 1.673 63.677 62.100 -0.160 0.000 1.142 420 T CB -0.320 68.532 68.868 -0.026 0.000 0.866 420 T HN 0.380 nan 8.240 nan 0.000 0.444 421 D N 0.521 120.927 120.400 0.010 0.000 2.117 421 D HA -0.053 4.586 4.640 -0.000 0.000 0.197 421 D C 1.698 178.048 176.300 0.083 0.000 0.987 421 D CA 0.716 54.755 54.000 0.065 0.000 0.829 421 D CB -0.491 40.392 40.800 0.140 0.000 0.961 421 D HN 0.378 nan 8.370 nan 0.000 0.460 422 F N 1.826 121.755 119.950 -0.036 0.000 2.161 422 F HA -0.149 4.378 4.527 0.000 0.000 0.300 422 F C 2.310 178.071 175.800 -0.065 0.000 1.089 422 F CA 1.339 59.334 58.000 -0.008 0.000 1.282 422 F CB 0.014 38.943 39.000 -0.119 0.000 1.010 422 F HN -0.213 nan 8.300 nan 0.000 0.485 423 R N 0.314 120.600 120.500 -0.356 0.000 2.081 423 R HA -0.135 4.204 4.340 -0.000 0.000 0.235 423 R C 2.278 178.457 176.300 -0.201 0.000 1.131 423 R CA 1.763 57.645 56.100 -0.363 0.000 0.960 423 R CB -0.330 29.736 30.300 -0.389 0.000 0.856 423 R HN 0.438 nan 8.270 nan 0.000 0.436 424 E N -0.272 119.849 120.200 -0.132 0.000 2.028 424 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 424 E C 1.762 178.337 176.600 -0.042 0.000 0.988 424 E CA 1.078 57.434 56.400 -0.073 0.000 0.799 424 E CB -0.350 29.318 29.700 -0.053 0.000 0.755 424 E HN 0.487 nan 8.360 nan 0.000 0.447 425 Y N -0.409 119.776 120.300 -0.192 0.000 2.465 425 Y HA -0.250 4.300 4.550 -0.000 0.000 0.289 425 Y C 1.759 177.446 175.900 -0.355 0.000 1.150 425 Y CA 0.444 58.410 58.100 -0.222 0.000 1.293 425 Y CB 0.081 38.437 38.460 -0.175 0.000 0.977 425 Y HN -0.023 nan 8.280 nan 0.000 0.556 426 F N -0.830 118.994 119.950 -0.210 0.000 2.383 426 F HA -0.011 4.516 4.527 0.000 0.000 0.287 426 F C 1.922 177.649 175.800 -0.122 0.000 1.069 426 F CA 0.757 58.608 58.000 -0.249 0.000 1.402 426 F CB -0.127 38.577 39.000 -0.494 0.000 1.116 426 F HN -0.125 nan 8.300 nan 0.000 0.549 427 M N -0.197 119.418 119.600 0.026 0.000 2.700 427 M HA -0.110 4.370 4.480 -0.000 0.000 0.249 427 M C 1.265 177.546 176.300 -0.031 0.000 1.082 427 M CA 0.707 56.011 55.300 0.007 0.000 1.077 427 M CB -0.268 32.323 32.600 -0.016 0.000 1.477 427 M HN 0.083 nan 8.290 nan 0.000 0.529 428 E N 0.254 120.417 120.200 -0.061 0.000 2.040 428 E HA 0.046 4.396 4.350 -0.000 0.000 0.205 428 E C 0.678 177.231 176.600 -0.079 0.000 0.936 428 E CA 0.321 56.674 56.400 -0.079 0.000 0.900 428 E CB -0.151 29.488 29.700 -0.103 0.000 0.889 428 E HN 0.063 nan 8.360 nan 0.000 0.503 429 V N 0.000 119.847 119.914 -0.112 0.000 2.409 429 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 429 V CA 0.000 62.237 62.300 -0.105 0.000 1.235 429 V CB 0.000 31.708 31.823 -0.191 0.000 1.184 429 V HN 0.000 nan 8.190 nan 0.000 0.556