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 1dv3_1_M DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE RELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.885 175.900 -0.025 0.000 1.272 3 Y CA 0.000 58.093 58.100 -0.011 0.000 1.940 3 Y CB 0.000 38.454 38.460 -0.010 0.000 1.050 4 Q N 2.866 122.299 119.800 -0.611 0.000 2.384 4 Q HA 0.095 4.435 4.340 0.000 0.000 0.207 4 Q C 0.444 176.039 176.000 -0.676 0.000 0.904 4 Q CA 0.755 56.253 55.803 -0.509 0.000 0.933 4 Q CB 0.170 28.733 28.738 -0.291 0.000 1.077 4 Q HN 0.756 nan 8.270 nan 0.000 0.522 5 N N 0.202 118.130 118.700 -1.286 0.000 2.754 5 N HA -0.163 4.577 4.740 0.000 0.000 0.248 5 N C 0.184 175.486 175.510 -0.346 0.000 1.093 5 N CA 0.268 52.880 53.050 -0.730 0.000 0.699 5 N CB -0.913 37.358 38.487 -0.359 0.000 1.016 5 N HN 0.165 nan 8.380 nan 0.000 0.552 6 I N -1.383 118.980 120.570 -0.346 0.000 2.731 6 I HA 0.143 4.314 4.170 0.000 0.000 0.260 6 I C 0.562 176.463 176.117 -0.361 0.000 1.138 6 I CA 0.997 62.070 61.300 -0.377 0.000 1.461 6 I CB -0.490 37.217 38.000 -0.488 0.000 1.128 6 I HN 0.043 nan 8.210 nan 0.000 0.438 7 F N 0.300 120.323 119.950 0.122 0.000 2.551 7 F HA 0.413 4.940 4.527 0.000 0.000 0.316 7 F C 0.788 176.780 175.800 0.319 0.000 1.089 7 F CA -1.126 57.022 58.000 0.248 0.000 0.915 7 F CB 1.314 40.429 39.000 0.191 0.000 1.186 7 F HN -0.330 nan 8.300 nan 0.000 0.456 8 S N 1.624 117.674 115.700 0.584 0.000 2.576 8 S HA 0.115 4.585 4.470 0.000 0.000 0.276 8 S C 0.930 175.830 174.600 0.500 0.000 1.339 8 S CA -0.457 58.030 58.200 0.480 0.000 1.039 8 S CB 1.155 64.567 63.200 0.353 0.000 0.902 8 S HN 0.701 nan 8.310 nan 0.000 0.516 9 Q N 0.565 120.539 119.800 0.290 0.000 2.123 9 Q HA 0.153 4.493 4.340 0.000 0.000 0.196 9 Q C 0.271 176.426 176.000 0.258 0.000 0.958 9 Q CA 0.654 56.564 55.803 0.178 0.000 0.841 9 Q CB 0.275 28.950 28.738 -0.105 0.000 0.915 9 Q HN 0.465 nan 8.270 nan 0.000 0.455 10 V N 0.814 120.831 119.914 0.171 0.000 2.577 10 V HA 0.270 4.390 4.120 0.000 0.000 0.303 10 V C -1.602 174.519 176.094 0.044 0.000 1.042 10 V CA -0.637 61.734 62.300 0.119 0.000 0.872 10 V CB 1.926 33.774 31.823 0.041 0.000 0.998 10 V HN 0.132 nan 8.190 nan 0.000 0.423 11 Q N 3.548 123.314 119.800 -0.056 0.000 2.230 11 Q HA 0.669 5.010 4.340 0.000 0.000 0.253 11 Q C -1.135 174.806 176.000 -0.099 0.000 0.919 11 Q CA -0.411 55.308 55.803 -0.141 0.000 0.908 11 Q CB 2.411 30.939 28.738 -0.351 0.000 1.245 11 Q HN 0.648 nan 8.270 nan 0.000 0.437 12 V N 2.841 122.709 119.914 -0.076 0.000 2.823 12 V HA 0.655 4.775 4.120 0.000 0.000 0.312 12 V C -1.110 174.941 176.094 -0.072 0.000 1.072 12 V CA -0.559 61.702 62.300 -0.065 0.000 0.937 12 V CB 2.148 33.947 31.823 -0.039 0.000 1.013 12 V HN 0.754 nan 8.190 nan 0.000 0.430 13 R N 2.630 123.074 120.500 -0.093 0.000 2.698 13 R HA 0.751 5.091 4.340 0.000 0.000 0.275 13 R C -0.549 175.675 176.300 -0.126 0.000 1.001 13 R CA 0.055 56.081 56.100 -0.122 0.000 0.896 13 R CB 2.249 32.412 30.300 -0.228 0.000 1.218 13 R HN 0.935 nan 8.270 nan 0.000 0.462 14 G N 1.989 110.724 108.800 -0.109 0.000 3.135 14 G HA2 0.544 4.504 3.960 0.000 0.000 0.278 14 G HA3 0.544 4.504 3.960 0.000 0.000 0.278 14 G C -2.644 172.207 174.900 -0.082 0.000 1.302 14 G CA -0.995 44.054 45.100 -0.085 0.000 0.880 14 G HN 0.428 nan 8.290 nan 0.000 0.574 15 P HA 0.387 nan 4.420 nan 0.000 0.265 15 P C 0.176 177.528 177.300 0.086 0.000 1.187 15 P CA 0.091 63.193 63.100 0.002 0.000 0.766 15 P CB 0.605 32.309 31.700 0.006 0.000 0.820 16 A N 2.489 125.410 122.820 0.167 0.000 2.565 16 A HA 0.030 4.350 4.320 0.000 0.000 0.237 16 A C 0.440 178.104 177.584 0.133 0.000 1.053 16 A CA 0.242 52.453 52.037 0.290 0.000 0.755 16 A CB -0.237 18.924 19.000 0.268 0.000 0.980 16 A HN 0.534 nan 8.150 nan 0.000 0.506 17 D N 2.261 122.724 120.400 0.104 0.000 2.313 17 D HA 0.345 4.985 4.640 0.000 0.000 0.239 17 D C 0.760 177.071 176.300 0.018 0.000 1.142 17 D CA -0.191 53.837 54.000 0.046 0.000 0.847 17 D CB 0.867 41.688 40.800 0.035 0.000 1.082 17 D HN 0.446 nan 8.370 nan 0.000 0.480 18 L N 2.881 124.113 121.223 0.014 0.000 2.558 18 L HA 0.242 4.582 4.340 0.000 0.000 0.225 18 L C 1.424 178.293 176.870 -0.002 0.000 1.128 18 L CA 0.244 55.087 54.840 0.005 0.000 0.868 18 L CB -0.604 41.460 42.059 0.007 0.000 1.006 18 L HN 0.619 nan 8.230 nan 0.000 0.454 19 G N 0.209 109.007 108.800 -0.005 0.000 2.781 19 G HA2 -0.184 3.776 3.960 0.000 0.000 0.683 19 G HA3 -0.184 3.776 3.960 0.000 0.000 0.683 19 G C -0.316 174.575 174.900 -0.015 0.000 1.390 19 G CA -0.975 44.117 45.100 -0.013 0.000 0.850 19 G HN -0.127 nan 8.290 nan 0.000 0.557 20 M N 0.455 120.040 119.600 -0.025 0.000 2.252 20 M HA 0.200 4.680 4.480 0.000 0.000 0.333 20 M C 1.749 178.033 176.300 -0.027 0.000 1.111 20 M CA 0.800 56.083 55.300 -0.028 0.000 1.140 20 M CB -0.038 32.538 32.600 -0.040 0.000 1.538 20 M HN 0.695 nan 8.290 nan 0.000 0.448 21 T N 0.243 114.783 114.554 -0.023 0.000 2.904 21 T HA 0.025 4.375 4.350 0.000 0.000 0.243 21 T C 0.800 175.483 174.700 -0.029 0.000 1.024 21 T CA 0.441 62.530 62.100 -0.018 0.000 1.158 21 T CB 0.109 68.970 68.868 -0.011 0.000 0.867 21 T HN 0.708 nan 8.240 nan 0.000 0.429 22 E N 0.774 120.954 120.200 -0.033 0.000 3.440 22 E HA -0.197 4.153 4.350 0.000 0.000 0.328 22 E C -0.050 176.529 176.600 -0.036 0.000 1.514 22 E CA 1.629 58.004 56.400 -0.041 0.000 1.926 22 E CB -0.949 28.715 29.700 -0.060 0.000 1.874 22 E HN 0.331 nan 8.360 nan 0.000 0.471 23 D N -0.122 120.250 120.400 -0.048 0.000 2.358 23 D HA 0.104 4.744 4.640 0.000 0.000 0.224 23 D C 0.128 176.406 176.300 -0.038 0.000 1.123 23 D CA 0.512 54.488 54.000 -0.039 0.000 0.833 23 D CB -0.203 40.570 40.800 -0.045 0.000 0.946 23 D HN 0.207 nan 8.370 nan 0.000 0.505 24 V N 0.871 120.760 119.914 -0.041 0.000 2.775 24 V HA 0.174 4.294 4.120 0.000 0.000 0.299 24 V C 0.334 176.468 176.094 0.066 0.000 1.062 24 V CA -0.728 61.560 62.300 -0.019 0.000 1.063 24 V CB 1.519 33.303 31.823 -0.065 0.000 0.994 24 V HN -0.102 nan 8.190 nan 0.000 0.483 25 N N 4.978 123.771 118.700 0.156 0.000 2.466 25 N HA 0.062 4.802 4.740 0.000 0.000 0.263 25 N C 0.691 176.275 175.510 0.122 0.000 1.178 25 N CA -0.197 52.933 53.050 0.132 0.000 0.983 25 N CB 0.396 38.966 38.487 0.137 0.000 1.331 25 N HN 0.715 nan 8.380 nan 0.000 0.500 26 L N 2.885 124.146 121.223 0.063 0.000 2.263 26 L HA -0.159 4.181 4.340 0.000 0.000 0.216 26 L C 2.204 179.064 176.870 -0.016 0.000 1.111 26 L CA 1.299 56.158 54.840 0.032 0.000 0.773 26 L CB -1.413 40.656 42.059 0.015 0.000 0.906 26 L HN 0.612 nan 8.230 nan 0.000 0.439 27 A N -0.783 122.018 122.820 -0.033 0.000 2.015 27 A HA -0.132 4.188 4.320 0.000 0.000 0.219 27 A C 1.916 179.420 177.584 -0.134 0.000 1.163 27 A CA 1.270 53.267 52.037 -0.066 0.000 0.646 27 A CB -0.396 18.573 19.000 -0.052 0.000 0.806 27 A HN 0.484 nan 8.150 nan 0.000 0.448 28 N N -0.647 117.916 118.700 -0.230 0.000 2.398 28 N HA 0.034 4.774 4.740 0.000 0.000 0.188 28 N C 0.401 175.601 175.510 -0.517 0.000 1.122 28 N CA 0.179 52.948 53.050 -0.469 0.000 0.866 28 N CB 0.030 38.010 38.487 -0.845 0.000 0.970 28 N HN 0.381 nan 8.380 nan 0.000 0.462 29 R N 1.241 121.588 120.500 -0.255 0.000 2.308 29 R HA 0.149 4.489 4.340 0.000 0.000 0.305 29 R C 0.697 176.941 176.300 -0.093 0.000 1.053 29 R CA -0.209 55.819 56.100 -0.120 0.000 0.957 29 R CB 0.653 30.953 30.300 -0.000 0.000 1.022 29 R HN 0.071 nan 8.270 nan 0.000 0.461 30 S N 2.097 117.752 115.700 -0.074 0.000 2.625 30 S HA 0.443 4.913 4.470 0.000 0.000 0.258 30 S C 0.600 175.178 174.600 -0.036 0.000 1.256 30 S CA -0.399 57.768 58.200 -0.056 0.000 0.983 30 S CB 0.788 63.961 63.200 -0.044 0.000 1.032 30 S HN 0.643 nan 8.310 nan 0.000 0.572 31 G N -0.865 107.916 108.800 -0.030 0.000 2.522 31 G HA2 0.519 4.479 3.960 0.000 0.000 0.304 31 G HA3 0.519 4.479 3.960 0.000 0.000 0.304 31 G C -0.560 174.326 174.900 -0.025 0.000 1.210 31 G CA -0.935 44.153 45.100 -0.021 0.000 0.960 31 G HN 0.786 nan 8.290 nan 0.000 0.497 32 V N 0.496 120.398 119.914 -0.019 0.000 2.740 32 V HA 0.409 4.529 4.120 0.000 0.000 0.303 32 V C 1.434 177.496 176.094 -0.053 0.000 1.054 32 V CA 0.423 62.697 62.300 -0.043 0.000 1.106 32 V CB 0.715 32.529 31.823 -0.014 0.000 0.957 32 V HN 0.928 nan 8.190 nan 0.000 0.486 33 G N 4.948 113.683 108.800 -0.108 0.000 2.510 33 G HA2 0.541 4.501 3.960 0.000 0.000 0.280 33 G HA3 0.541 4.501 3.960 0.000 0.000 0.280 33 G C -2.319 172.516 174.900 -0.109 0.000 1.386 33 G CA -0.848 44.195 45.100 -0.094 0.000 1.047 33 G HN 0.654 nan 8.290 nan 0.000 0.527 34 P HA 0.388 nan 4.420 nan 0.000 0.278 34 P C -1.345 175.909 177.300 -0.075 0.000 1.266 34 P CA -0.423 62.686 63.100 0.016 0.000 0.807 34 P CB 1.037 32.757 31.700 0.035 0.000 1.094 35 F N -0.390 119.547 119.950 -0.022 0.000 2.415 35 F HA 0.297 4.824 4.527 0.000 0.000 0.348 35 F C 1.192 176.970 175.800 -0.036 0.000 1.119 35 F CA -0.199 57.782 58.000 -0.032 0.000 1.069 35 F CB 1.505 40.479 39.000 -0.043 0.000 1.124 35 F HN 0.105 nan 8.300 nan 0.000 0.472 36 S N 2.127 117.882 115.700 0.092 0.000 2.420 36 S HA 0.206 4.676 4.470 0.000 0.000 0.313 36 S C 0.901 175.506 174.600 0.007 0.000 1.079 36 S CA -0.467 57.761 58.200 0.046 0.000 1.104 36 S CB 0.845 64.059 63.200 0.025 0.000 0.969 36 S HN 0.749 nan 8.310 nan 0.000 0.471 37 T N 5.414 119.949 114.554 -0.031 0.000 2.951 37 T HA -0.062 4.288 4.350 0.000 0.000 0.268 37 T C 1.699 176.259 174.700 -0.234 0.000 1.073 37 T CA 1.018 63.010 62.100 -0.181 0.000 1.134 37 T CB -0.251 68.533 68.868 -0.141 0.000 0.884 37 T HN 0.566 nan 8.240 nan 0.000 0.479 38 L N 0.907 122.129 121.223 -0.002 0.000 2.017 38 L HA 0.056 4.396 4.340 0.000 0.000 0.208 38 L C 2.099 179.066 176.870 0.162 0.000 1.073 38 L CA 1.670 56.602 54.840 0.153 0.000 0.745 38 L CB -0.503 41.632 42.059 0.126 0.000 0.894 38 L HN 0.237 nan 8.230 nan 0.000 0.432 39 L N -0.891 120.389 121.223 0.095 0.000 2.141 39 L HA -0.086 4.254 4.340 0.000 0.000 0.209 39 L C 2.455 179.406 176.870 0.134 0.000 1.094 39 L CA 0.984 55.908 54.840 0.140 0.000 0.763 39 L CB -1.259 40.855 42.059 0.091 0.000 0.908 39 L HN 0.473 nan 8.230 nan 0.000 0.437 40 G N -0.686 108.102 108.800 -0.020 0.000 2.479 40 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 40 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 40 G C 1.137 175.997 174.900 -0.068 0.000 1.115 40 G CA 0.251 45.285 45.100 -0.109 0.000 0.757 40 G HN 0.446 nan 8.290 nan 0.000 0.560 41 W N -1.476 119.922 121.300 0.164 0.000 2.518 41 W HA 0.278 4.938 4.660 0.000 0.000 0.273 41 W C 1.928 178.696 176.519 0.413 0.000 1.247 41 W CA -0.479 56.992 57.345 0.209 0.000 1.288 41 W CB -0.053 29.456 29.460 0.082 0.000 1.107 41 W HN 0.145 nan 8.180 nan 0.000 0.586 42 F N -0.763 119.428 119.950 0.400 0.000 2.514 42 F HA 0.416 4.943 4.527 0.000 0.000 0.281 42 F C 1.396 177.299 175.800 0.172 0.000 1.060 42 F CA 1.267 59.467 58.000 0.333 0.000 1.397 42 F CB -0.284 38.903 39.000 0.313 0.000 1.129 42 F HN -0.235 nan 8.300 nan 0.000 0.620 43 G N -0.784 108.108 108.800 0.154 0.000 2.976 43 G HA2 0.173 4.133 3.960 0.000 0.000 0.276 43 G HA3 0.173 4.133 3.960 0.000 0.000 0.276 43 G C -1.215 173.711 174.900 0.044 0.000 1.207 43 G CA -0.823 44.286 45.100 0.016 0.000 0.803 43 G HN -0.099 nan 8.290 nan 0.000 0.572 44 N N 0.518 119.232 118.700 0.023 0.000 2.441 44 N HA 0.318 5.058 4.740 0.000 0.000 0.251 44 N C 1.075 176.598 175.510 0.022 0.000 1.242 44 N CA 0.573 53.634 53.050 0.018 0.000 0.898 44 N CB 1.655 40.141 38.487 -0.001 0.000 1.100 44 N HN 0.595 nan 8.380 nan 0.000 0.443 45 A N 1.920 124.761 122.820 0.036 0.000 2.081 45 A HA -0.044 4.276 4.320 0.000 0.000 0.214 45 A C 0.945 178.504 177.584 -0.042 0.000 1.158 45 A CA 0.350 52.418 52.037 0.053 0.000 0.724 45 A CB -0.103 18.977 19.000 0.134 0.000 0.826 45 A HN 0.746 nan 8.150 nan 0.000 0.463 46 Q N 0.347 120.049 119.800 -0.163 0.000 2.304 46 Q HA 0.427 4.767 4.340 0.000 0.000 0.260 46 Q C -1.578 174.209 176.000 -0.355 0.000 0.965 46 Q CA -0.254 55.209 55.803 -0.567 0.000 0.898 46 Q CB 0.438 28.872 28.738 -0.506 0.000 1.196 46 Q HN 0.310 nan 8.270 nan 0.000 0.402 47 L N 3.697 124.679 121.223 -0.403 0.000 2.317 47 L HA 0.644 4.984 4.340 0.000 0.000 0.281 47 L C 0.455 177.203 176.870 -0.204 0.000 1.024 47 L CA 0.718 55.428 54.840 -0.217 0.000 0.810 47 L CB 1.629 43.596 42.059 -0.154 0.000 1.240 47 L HN 0.928 nan 8.230 nan 0.000 0.427 48 G N 3.268 111.995 108.800 -0.122 0.000 2.877 48 G HA2 -0.140 3.820 3.960 0.000 0.000 0.279 48 G HA3 -0.140 3.820 3.960 0.000 0.000 0.279 48 G C -2.776 172.065 174.900 -0.098 0.000 1.431 48 G CA -0.702 44.344 45.100 -0.090 0.000 0.883 48 G HN 0.537 nan 8.290 nan 0.000 0.547 49 P HA 0.558 nan 4.420 nan 0.000 0.274 49 P C -0.166 177.126 177.300 -0.012 0.000 1.256 49 P CA -0.410 62.669 63.100 -0.035 0.000 0.795 49 P CB 1.245 32.932 31.700 -0.022 0.000 1.038 50 I N 0.396 120.966 120.570 0.000 0.000 2.693 50 I HA 0.354 4.524 4.170 0.000 0.000 0.303 50 I C -1.043 175.107 176.117 0.055 0.000 1.025 50 I CA -1.455 59.865 61.300 0.032 0.000 1.086 50 I CB 1.772 39.791 38.000 0.032 0.000 1.268 50 I HN 0.229 nan 8.210 nan 0.000 0.440 51 Y N 7.123 127.391 120.300 -0.053 0.000 2.341 51 Y HA 0.499 5.049 4.550 0.000 0.000 0.340 51 Y C -1.059 174.805 175.900 -0.060 0.000 0.997 51 Y CA -0.375 57.687 58.100 -0.065 0.000 1.149 51 Y CB 0.869 39.274 38.460 -0.092 0.000 1.171 51 Y HN 0.390 nan 8.280 nan 0.000 0.494 52 L N 7.706 128.734 121.223 -0.326 0.000 2.502 52 L HA 0.442 4.782 4.340 0.000 0.000 0.247 52 L C 0.660 177.369 176.870 -0.268 0.000 1.180 52 L CA -0.491 54.240 54.840 -0.182 0.000 0.956 52 L CB 0.406 42.399 42.059 -0.110 0.000 1.282 52 L HN 0.872 nan 8.230 nan 0.000 0.470 53 G N -0.116 108.584 108.800 -0.165 0.000 2.525 53 G HA2 0.217 4.177 3.960 0.000 0.000 0.287 53 G HA3 0.217 4.177 3.960 0.000 0.000 0.287 53 G C 0.775 175.668 174.900 -0.013 0.000 1.350 53 G CA -0.225 44.828 45.100 -0.079 0.000 1.039 53 G HN 0.372 nan 8.290 nan 0.000 0.513 54 S N -0.834 114.871 115.700 0.007 0.000 2.368 54 S HA -0.121 4.349 4.470 0.000 0.000 0.224 54 S C 2.329 176.953 174.600 0.040 0.000 1.029 54 S CA 0.695 58.903 58.200 0.014 0.000 0.988 54 S CB -0.337 62.870 63.200 0.011 0.000 0.838 54 S HN 0.323 nan 8.310 nan 0.000 0.462 55 L N 1.979 123.229 121.223 0.045 0.000 2.083 55 L HA -0.001 4.339 4.340 0.000 0.000 0.209 55 L C 2.247 179.156 176.870 0.064 0.000 1.083 55 L CA 1.797 56.667 54.840 0.050 0.000 0.752 55 L CB -1.289 40.780 42.059 0.017 0.000 0.899 55 L HN 0.343 nan 8.230 nan 0.000 0.433 56 G N -1.868 106.960 108.800 0.046 0.000 2.403 56 G HA2 -0.130 3.830 3.960 0.000 0.000 0.216 56 G HA3 -0.130 3.830 3.960 0.000 0.000 0.216 56 G C 1.545 176.529 174.900 0.139 0.000 1.154 56 G CA 0.824 45.969 45.100 0.075 0.000 0.784 56 G HN 0.297 nan 8.290 nan 0.000 0.538 57 V N 0.756 120.726 119.914 0.093 0.000 2.358 57 V HA -0.112 4.008 4.120 0.000 0.000 0.246 57 V C 2.656 178.841 176.094 0.152 0.000 1.047 57 V CA 1.583 63.940 62.300 0.095 0.000 1.035 57 V CB -0.390 31.452 31.823 0.032 0.000 0.658 57 V HN 0.364 nan 8.190 nan 0.000 0.452 58 L N 0.134 121.442 121.223 0.142 0.000 2.012 58 L HA -0.153 4.187 4.340 0.000 0.000 0.210 58 L C 2.626 179.647 176.870 0.252 0.000 1.073 58 L CA 2.524 57.483 54.840 0.199 0.000 0.748 58 L CB -0.887 41.264 42.059 0.153 0.000 0.891 58 L HN 0.316 nan 8.230 nan 0.000 0.431 59 S N -0.843 114.993 115.700 0.227 0.000 2.359 59 S HA -0.216 4.255 4.470 0.000 0.000 0.224 59 S C 2.104 176.832 174.600 0.213 0.000 1.035 59 S CA 1.774 60.126 58.200 0.254 0.000 1.018 59 S CB -0.566 62.873 63.200 0.397 0.000 0.876 59 S HN 0.527 nan 8.310 nan 0.000 0.448 60 L N -0.185 121.173 121.223 0.225 0.000 2.083 60 L HA -0.060 4.280 4.340 0.000 0.000 0.209 60 L C 2.233 179.177 176.870 0.124 0.000 1.083 60 L CA 1.735 56.664 54.840 0.148 0.000 0.752 60 L CB -0.443 41.706 42.059 0.150 0.000 0.899 60 L HN 0.461 nan 8.230 nan 0.000 0.433 61 F N 0.362 120.332 119.950 0.034 0.000 2.051 61 F HA -0.243 4.284 4.527 0.000 0.000 0.296 61 F C 2.602 178.383 175.800 -0.032 0.000 1.122 61 F CA 2.013 60.010 58.000 -0.006 0.000 1.201 61 F CB -0.516 38.489 39.000 0.009 0.000 0.978 61 F HN 0.012 nan 8.300 nan 0.000 0.472 62 S N 0.413 116.071 115.700 -0.069 0.000 2.368 62 S HA -0.131 4.339 4.470 0.000 0.000 0.225 62 S C 2.367 176.907 174.600 -0.100 0.000 1.030 62 S CA 1.114 59.242 58.200 -0.121 0.000 0.999 62 S CB -1.434 61.860 63.200 0.157 0.000 0.844 62 S HN 0.626 nan 8.310 nan 0.000 0.459 63 G N 2.024 110.817 108.800 -0.012 0.000 2.476 63 G HA2 -0.181 3.779 3.960 0.000 0.000 0.218 63 G HA3 -0.181 3.779 3.960 0.000 0.000 0.218 63 G C 1.335 176.289 174.900 0.090 0.000 1.164 63 G CA 0.841 45.977 45.100 0.061 0.000 0.768 63 G HN 0.449 nan 8.290 nan 0.000 0.560 64 L N -0.215 120.967 121.223 -0.068 0.000 2.056 64 L HA -0.031 4.309 4.340 0.000 0.000 0.207 64 L C 3.051 179.844 176.870 -0.129 0.000 1.078 64 L CA 0.568 55.364 54.840 -0.073 0.000 0.749 64 L CB -0.331 41.652 42.059 -0.127 0.000 0.901 64 L HN 0.137 nan 8.230 nan 0.000 0.433 65 M N -1.212 118.106 119.600 -0.470 0.000 2.159 65 M HA -0.230 4.250 4.480 0.000 0.000 0.263 65 M C 2.058 178.197 176.300 -0.268 0.000 1.063 65 M CA 1.577 56.460 55.300 -0.695 0.000 1.110 65 M CB -1.253 30.246 32.600 -1.835 0.000 1.374 65 M HN 0.445 nan 8.290 nan 0.000 0.411 66 W N 0.491 121.649 121.300 -0.237 0.000 2.354 66 W HA -0.246 4.414 4.660 0.000 0.000 0.315 66 W C 2.205 178.685 176.519 -0.065 0.000 1.206 66 W CA 1.329 58.654 57.345 -0.034 0.000 1.290 66 W CB -1.038 28.409 29.460 -0.022 0.000 1.152 66 W HN 0.166 nan 8.180 nan 0.000 0.489 67 F N 0.093 119.857 119.950 -0.310 0.000 2.171 67 F HA -0.175 4.352 4.527 0.000 0.000 0.300 67 F C 2.318 177.932 175.800 -0.311 0.000 1.090 67 F CA 2.101 59.797 58.000 -0.507 0.000 1.293 67 F CB -1.117 37.731 39.000 -0.253 0.000 1.013 67 F HN -0.012 nan 8.300 nan 0.000 0.486 68 F N 0.580 120.425 119.950 -0.175 0.000 2.113 68 F HA -0.162 4.365 4.527 0.000 0.000 0.297 68 F C 2.349 178.042 175.800 -0.179 0.000 1.103 68 F CA 2.159 60.061 58.000 -0.163 0.000 1.248 68 F CB -1.070 37.850 39.000 -0.134 0.000 0.999 68 F HN -0.148 nan 8.300 nan 0.000 0.475 69 T N 1.776 116.200 114.554 -0.216 0.000 2.684 69 T HA -0.216 4.134 4.350 0.000 0.000 0.267 69 T C 2.131 176.631 174.700 -0.334 0.000 1.036 69 T CA 2.192 64.157 62.100 -0.224 0.000 1.148 69 T CB -0.548 68.338 68.868 0.031 0.000 0.863 69 T HN 0.305 nan 8.240 nan 0.000 0.436 70 I N 1.118 121.376 120.570 -0.520 0.000 2.179 70 I HA -0.090 4.080 4.170 0.000 0.000 0.242 70 I C 2.972 178.661 176.117 -0.713 0.000 1.088 70 I CA 1.324 62.232 61.300 -0.654 0.000 1.357 70 I CB -0.859 36.518 38.000 -1.039 0.000 1.051 70 I HN 0.318 nan 8.210 nan 0.000 0.409 71 G N 0.984 109.352 108.800 -0.721 0.000 2.440 71 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 71 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 71 G C 1.775 176.624 174.900 -0.085 0.000 1.154 71 G CA 0.706 45.556 45.100 -0.416 0.000 0.767 71 G HN 0.410 nan 8.290 nan 0.000 0.552 72 I N -0.832 119.567 120.570 -0.285 0.000 2.394 72 I HA -0.049 4.121 4.170 0.000 0.000 0.251 72 I C 2.403 178.562 176.117 0.069 0.000 1.136 72 I CA 0.918 62.149 61.300 -0.116 0.000 1.425 72 I CB -0.067 37.704 38.000 -0.381 0.000 1.079 72 I HN 0.497 nan 8.210 nan 0.000 0.425 73 W N 0.839 122.088 121.300 -0.085 0.000 2.388 73 W HA -0.254 4.406 4.660 0.000 0.000 0.294 73 W C 1.942 178.509 176.519 0.079 0.000 1.212 73 W CA 0.885 58.259 57.345 0.049 0.000 1.271 73 W CB -0.290 29.228 29.460 0.096 0.000 1.126 73 W HN 0.112 nan 8.180 nan 0.000 0.535 74 F N -0.310 119.434 119.950 -0.342 0.000 2.146 74 F HA -0.109 4.418 4.527 0.000 0.000 0.298 74 F C 2.039 177.235 175.800 -1.006 0.000 1.096 74 F CA 1.124 58.634 58.000 -0.818 0.000 1.275 74 F CB -1.652 37.041 39.000 -0.511 0.000 1.008 74 F HN -0.121 nan 8.300 nan 0.000 0.480 75 W N -1.465 119.606 121.300 -0.381 0.000 2.363 75 W HA -0.233 4.427 4.660 0.000 0.000 0.296 75 W C 2.567 178.324 176.519 -1.270 0.000 1.212 75 W CA 1.511 58.487 57.345 -0.616 0.000 1.260 75 W CB -1.008 28.196 29.460 -0.428 0.000 1.131 75 W HN 0.058 nan 8.180 nan 0.000 0.530 76 Y N 1.055 120.645 120.300 -1.182 0.000 2.200 76 Y HA -0.246 4.304 4.550 0.000 0.000 0.290 76 Y C 2.265 177.571 175.900 -0.990 0.000 1.137 76 Y CA 1.990 59.323 58.100 -1.279 0.000 1.163 76 Y CB -0.769 37.246 38.460 -0.742 0.000 0.988 76 Y HN -0.004 nan 8.280 nan 0.000 0.518 77 Q N -0.613 118.493 119.800 -1.158 0.000 2.291 77 Q HA -0.072 4.268 4.340 0.000 0.000 0.205 77 Q C 1.869 177.449 176.000 -0.701 0.000 0.970 77 Q CA 0.903 56.115 55.803 -0.984 0.000 0.876 77 Q CB -0.146 28.057 28.738 -0.892 0.000 0.935 77 Q HN 0.580 nan 8.270 nan 0.000 0.455 78 A N -0.383 121.969 122.820 -0.779 0.000 2.275 78 A HA 0.334 4.654 4.320 0.000 0.000 0.212 78 A C 1.330 178.710 177.584 -0.341 0.000 1.201 78 A CA 0.562 52.350 52.037 -0.414 0.000 0.843 78 A CB -0.067 18.716 19.000 -0.362 0.000 0.873 78 A HN 0.381 nan 8.150 nan 0.000 0.492 79 G N -1.943 106.527 108.800 -0.550 0.000 2.198 79 G HA2 -0.313 3.647 3.960 0.000 0.000 0.260 79 G HA3 -0.313 3.647 3.960 0.000 0.000 0.260 79 G C 0.251 175.114 174.900 -0.061 0.000 1.025 79 G CA 0.175 45.071 45.100 -0.340 0.000 0.769 79 G HN 1.118 nan 8.290 nan 0.000 0.507 80 W N -1.961 119.395 121.300 0.095 0.000 4.849 80 W HA -0.188 4.472 4.660 0.000 0.000 0.358 80 W C 0.535 177.213 176.519 0.266 0.000 1.331 80 W CA 0.320 57.818 57.345 0.255 0.000 0.844 80 W CB -1.909 27.618 29.460 0.112 0.000 2.434 80 W HN 0.579 nan 8.180 nan 0.000 1.458 81 N N 0.619 119.502 118.700 0.304 0.000 2.501 81 N HA 0.226 4.966 4.740 0.000 0.000 0.245 81 N C -1.267 174.382 175.510 0.230 0.000 0.974 81 N CA -1.878 51.311 53.050 0.232 0.000 0.941 81 N CB 1.644 40.194 38.487 0.104 0.000 1.122 81 N HN -0.254 nan 8.380 nan 0.000 0.507 82 P HA -0.150 nan 4.420 nan 0.000 0.216 82 P C 0.914 178.308 177.300 0.156 0.000 1.154 82 P CA 1.584 64.864 63.100 0.300 0.000 0.865 82 P CB 0.326 32.220 31.700 0.323 0.000 0.789 83 A N -0.875 122.014 122.820 0.114 0.000 1.902 83 A HA -0.161 4.159 4.320 0.000 0.000 0.217 83 A C 2.322 179.916 177.584 0.016 0.000 1.181 83 A CA 1.895 53.968 52.037 0.060 0.000 0.623 83 A CB -1.650 17.376 19.000 0.043 0.000 0.818 83 A HN 0.048 nan 8.150 nan 0.000 0.443 84 V N -1.288 118.635 119.914 0.014 0.000 2.427 84 V HA -0.203 3.917 4.120 0.000 0.000 0.248 84 V C 2.257 178.347 176.094 -0.006 0.000 1.051 84 V CA 1.873 64.158 62.300 -0.026 0.000 1.048 84 V CB -0.963 30.847 31.823 -0.021 0.000 0.666 84 V HN 0.630 nan 8.190 nan 0.000 0.456 85 F N 0.297 120.129 119.950 -0.196 0.000 2.161 85 F HA -0.176 4.351 4.527 0.000 0.000 0.300 85 F C 1.979 177.671 175.800 -0.180 0.000 1.089 85 F CA 1.709 59.526 58.000 -0.305 0.000 1.282 85 F CB -0.072 38.316 39.000 -1.019 0.000 1.010 85 F HN 0.032 nan 8.300 nan 0.000 0.485 86 L N 0.136 121.297 121.223 -0.102 0.000 2.162 86 L HA -0.085 4.255 4.340 0.000 0.000 0.205 86 L C 2.553 179.263 176.870 -0.266 0.000 1.086 86 L CA 1.243 55.974 54.840 -0.183 0.000 0.778 86 L CB -0.526 41.532 42.059 -0.001 0.000 0.928 86 L HN 0.171 nan 8.230 nan 0.000 0.446 87 R N -0.817 119.558 120.500 -0.208 0.000 2.153 87 R HA -0.051 4.289 4.340 0.000 0.000 0.218 87 R C 0.792 176.890 176.300 -0.336 0.000 1.072 87 R CA 1.235 57.214 56.100 -0.203 0.000 0.990 87 R CB -0.214 29.995 30.300 -0.152 0.000 0.889 87 R HN 0.138 nan 8.270 nan 0.000 0.452 88 D N 0.290 120.367 120.400 -0.539 0.000 2.395 88 D HA 0.022 4.662 4.640 0.000 0.000 0.213 88 D C 1.328 176.893 176.300 -1.226 0.000 1.110 88 D CA -0.125 53.352 54.000 -0.872 0.000 0.835 88 D CB 0.451 40.583 40.800 -1.114 0.000 0.965 88 D HN 0.106 nan 8.370 nan 0.000 0.505 89 L N 0.282 120.919 121.223 -0.978 0.000 2.034 89 L HA -0.239 4.101 4.340 0.000 0.000 0.217 89 L C 1.467 177.835 176.870 -0.838 0.000 1.077 89 L CA 1.879 56.141 54.840 -0.962 0.000 0.769 89 L CB -0.638 40.774 42.059 -1.079 0.000 0.890 89 L HN -0.069 nan 8.230 nan 0.000 0.435 90 F N -1.917 117.748 119.950 -0.475 0.000 2.661 90 F HA -0.007 4.520 4.527 0.000 0.000 0.298 90 F C 1.678 176.941 175.800 -0.894 0.000 1.137 90 F CA 0.412 57.906 58.000 -0.843 0.000 1.454 90 F CB -0.750 37.355 39.000 -1.492 0.000 1.103 90 F HN 0.024 nan 8.300 nan 0.000 0.577 91 F N -1.717 117.889 119.950 -0.574 0.000 2.714 91 F HA 0.190 4.717 4.527 0.000 0.000 0.294 91 F C 0.864 176.408 175.800 -0.426 0.000 1.120 91 F CA -0.845 56.938 58.000 -0.361 0.000 1.398 91 F CB -0.806 37.991 39.000 -0.338 0.000 1.120 91 F HN -0.304 nan 8.300 nan 0.000 0.589 92 F N 0.530 120.232 119.950 -0.413 0.000 2.539 92 F HA 0.335 4.862 4.527 0.000 0.000 0.340 92 F C 0.817 176.324 175.800 -0.489 0.000 1.185 92 F CA -0.483 57.060 58.000 -0.761 0.000 1.333 92 F CB 0.219 38.081 39.000 -1.896 0.000 1.152 92 F HN -0.298 nan 8.300 nan 0.000 0.602 93 S N 2.154 117.929 115.700 0.124 0.000 2.563 93 S HA 0.397 4.867 4.470 0.000 0.000 0.279 93 S C -1.569 173.397 174.600 0.610 0.000 1.155 93 S CA -0.827 57.617 58.200 0.407 0.000 0.928 93 S CB 0.690 64.067 63.200 0.294 0.000 1.107 93 S HN 0.645 nan 8.310 nan 0.000 0.462 94 L N 4.718 126.299 121.223 0.597 0.000 2.270 94 L HA 0.509 4.849 4.340 0.000 0.000 0.286 94 L C -0.278 176.772 176.870 0.299 0.000 1.059 94 L CA -0.351 54.668 54.840 0.299 0.000 0.839 94 L CB 0.532 42.810 42.059 0.366 0.000 1.221 94 L HN 0.712 nan 8.230 nan 0.000 0.431 95 E N 6.106 126.360 120.200 0.090 0.000 2.283 95 E HA 0.411 4.761 4.350 0.000 0.000 0.271 95 E C -2.312 174.116 176.600 -0.287 0.000 1.031 95 E CA -1.724 54.654 56.400 -0.037 0.000 0.868 95 E CB 1.134 30.831 29.700 -0.004 0.000 1.094 95 E HN 0.410 nan 8.360 nan 0.000 0.401 96 P HA 0.253 nan 4.420 nan 0.000 0.277 96 P C -2.563 174.469 177.300 -0.445 0.000 1.271 96 P CA -1.568 60.808 63.100 -1.206 0.000 0.795 96 P CB -0.451 30.130 31.700 -1.865 0.000 1.101 97 P HA 0.058 nan 4.420 nan 0.000 0.268 97 P C -0.183 177.152 177.300 0.058 0.000 1.208 97 P CA 0.393 63.458 63.100 -0.058 0.000 0.777 97 P CB 0.009 31.739 31.700 0.051 0.000 0.875 98 A N 4.699 127.654 122.820 0.225 0.000 2.346 98 A HA 0.259 4.579 4.320 0.000 0.000 0.252 98 A C -1.318 176.363 177.584 0.161 0.000 1.089 98 A CA -0.829 51.316 52.037 0.180 0.000 0.797 98 A CB -1.071 18.048 19.000 0.197 0.000 1.047 98 A HN 0.426 nan 8.150 nan 0.000 0.494 99 P HA -0.168 nan 4.420 nan 0.000 0.216 99 P C 0.755 178.046 177.300 -0.016 0.000 1.150 99 P CA 1.611 64.720 63.100 0.016 0.000 0.843 99 P CB 0.102 31.795 31.700 -0.012 0.000 0.787 100 E N -1.735 118.420 120.200 -0.076 0.000 2.219 100 E HA -0.200 4.150 4.350 0.000 0.000 0.198 100 E C 1.410 177.861 176.600 -0.248 0.000 0.998 100 E CA 1.222 57.500 56.400 -0.204 0.000 0.818 100 E CB -1.093 28.405 29.700 -0.336 0.000 0.741 100 E HN 0.482 nan 8.360 nan 0.000 0.477 101 Y N -0.190 120.115 120.300 0.009 0.000 2.546 101 Y HA 0.156 4.706 4.550 0.000 0.000 0.287 101 Y C 1.829 177.732 175.900 0.005 0.000 1.158 101 Y CA 0.449 58.565 58.100 0.028 0.000 1.307 101 Y CB -0.280 38.225 38.460 0.075 0.000 1.036 101 Y HN 0.109 nan 8.280 nan 0.000 0.532 102 G N 0.929 109.771 108.800 0.070 0.000 2.651 102 G HA2 -0.356 3.604 3.960 0.000 0.000 0.315 102 G HA3 -0.356 3.604 3.960 0.000 0.000 0.315 102 G C 0.551 175.367 174.900 -0.140 0.000 1.258 102 G CA 0.665 45.735 45.100 -0.050 0.000 1.002 102 G HN 0.280 nan 8.290 nan 0.000 0.551 103 L N 1.943 123.013 121.223 -0.256 0.000 2.872 103 L HA 0.369 4.709 4.340 0.000 0.000 0.245 103 L C 1.517 178.302 176.870 -0.142 0.000 1.211 103 L CA 0.440 54.968 54.840 -0.520 0.000 1.013 103 L CB 0.067 41.765 42.059 -0.602 0.000 1.326 103 L HN 0.657 nan 8.230 nan 0.000 0.525 104 S N -1.144 114.555 115.700 -0.002 0.000 2.632 104 S HA 0.337 4.807 4.470 0.000 0.000 0.267 104 S C 0.123 174.758 174.600 0.059 0.000 1.276 104 S CA -0.400 57.747 58.200 -0.088 0.000 0.998 104 S CB 0.819 64.043 63.200 0.040 0.000 0.953 104 S HN 0.120 nan 8.310 nan 0.000 0.547 105 F N 0.166 120.231 119.950 0.192 0.000 2.730 105 F HA 0.503 5.030 4.527 0.000 0.000 0.295 105 F C 1.692 177.508 175.800 0.027 0.000 1.143 105 F CA -0.881 57.172 58.000 0.088 0.000 1.367 105 F CB -0.916 38.109 39.000 0.042 0.000 0.970 105 F HN 0.772 nan 8.300 nan 0.000 0.514 106 A N 0.189 123.112 122.820 0.171 0.000 2.072 106 A HA 0.424 4.744 4.320 0.000 0.000 0.216 106 A C 1.693 179.253 177.584 -0.039 0.000 1.156 106 A CA 0.491 52.593 52.037 0.110 0.000 0.701 106 A CB -0.661 18.448 19.000 0.183 0.000 0.816 106 A HN 0.200 nan 8.150 nan 0.000 0.458 107 A N 1.139 123.776 122.820 -0.305 0.000 2.603 107 A HA 0.378 4.698 4.320 0.000 0.000 0.235 107 A C -2.220 175.201 177.584 -0.271 0.000 1.035 107 A CA -0.460 51.160 52.037 -0.695 0.000 0.755 107 A CB -0.589 17.956 19.000 -0.758 0.000 0.954 107 A HN 0.296 nan 8.150 nan 0.000 0.511 108 P HA 0.134 nan 4.420 nan 0.000 0.272 108 P C 1.104 178.359 177.300 -0.074 0.000 1.223 108 P CA -0.465 62.597 63.100 -0.064 0.000 0.784 108 P CB 0.443 32.143 31.700 -0.001 0.000 0.923 109 L N 1.570 122.770 121.223 -0.038 0.000 2.010 109 L HA -0.270 4.070 4.340 0.000 0.000 0.219 109 L C 1.770 178.593 176.870 -0.079 0.000 1.077 109 L CA 1.974 56.788 54.840 -0.043 0.000 0.773 109 L CB -0.697 41.360 42.059 -0.004 0.000 0.892 109 L HN 0.479 nan 8.230 nan 0.000 0.436 110 K N -0.131 120.258 120.400 -0.019 0.000 2.525 110 K HA -0.029 4.292 4.320 0.000 0.000 0.192 110 K C 0.223 176.783 176.600 -0.067 0.000 1.029 110 K CA 0.470 56.760 56.287 0.006 0.000 1.029 110 K CB 0.112 32.751 32.500 0.232 0.000 0.814 110 K HN 0.391 nan 8.250 nan 0.000 0.503 111 E N -0.504 119.642 120.200 -0.090 0.000 3.575 111 E HA 0.159 4.509 4.350 0.000 0.000 0.201 111 E C 0.307 176.816 176.600 -0.151 0.000 0.999 111 E CA -0.239 56.116 56.400 -0.075 0.000 1.315 111 E CB 1.361 31.065 29.700 0.006 0.000 1.146 111 E HN 0.314 nan 8.360 nan 0.000 0.453 112 G N -0.119 108.582 108.800 -0.165 0.000 2.380 112 G HA2 -0.243 3.717 3.960 0.000 0.000 0.197 112 G HA3 -0.243 3.717 3.960 0.000 0.000 0.197 112 G C 1.109 175.992 174.900 -0.029 0.000 1.001 112 G CA -0.170 44.863 45.100 -0.111 0.000 0.668 112 G HN 0.439 nan 8.290 nan 0.000 0.483 113 G N 0.671 109.419 108.800 -0.087 0.000 2.402 113 G HA2 0.114 4.074 3.960 0.000 0.000 0.216 113 G HA3 0.114 4.074 3.960 0.000 0.000 0.216 113 G C 1.689 176.569 174.900 -0.033 0.000 1.162 113 G CA 1.561 46.629 45.100 -0.055 0.000 0.777 113 G HN 0.512 nan 8.290 nan 0.000 0.539 114 L N -0.714 120.476 121.223 -0.056 0.000 2.093 114 L HA 0.122 4.462 4.340 0.000 0.000 0.208 114 L C 2.297 179.175 176.870 0.012 0.000 1.085 114 L CA 0.859 55.672 54.840 -0.044 0.000 0.755 114 L CB -0.912 41.074 42.059 -0.123 0.000 0.904 114 L HN 0.527 nan 8.230 nan 0.000 0.435 115 W N -0.240 120.985 121.300 -0.125 0.000 2.358 115 W HA -0.208 4.452 4.660 0.000 0.000 0.303 115 W C 2.289 178.811 176.519 0.005 0.000 1.208 115 W CA 1.518 58.865 57.345 0.004 0.000 1.274 115 W CB -0.131 29.297 29.460 -0.053 0.000 1.138 115 W HN 0.053 nan 8.180 nan 0.000 0.515 116 L N 0.151 121.460 121.223 0.142 0.000 2.046 116 L HA -0.252 4.088 4.340 0.000 0.000 0.208 116 L C 2.393 179.123 176.870 -0.233 0.000 1.077 116 L CA 1.473 56.237 54.840 -0.125 0.000 0.747 116 L CB -0.803 41.188 42.059 -0.114 0.000 0.896 116 L HN 0.047 nan 8.230 nan 0.000 0.432 117 I N -0.301 120.171 120.570 -0.164 0.000 2.179 117 I HA -0.277 3.893 4.170 0.000 0.000 0.242 117 I C 2.826 178.886 176.117 -0.095 0.000 1.088 117 I CA 1.132 62.316 61.300 -0.192 0.000 1.357 117 I CB -0.519 37.426 38.000 -0.092 0.000 1.051 117 I HN 0.194 nan 8.210 nan 0.000 0.409 118 A N 0.268 123.079 122.820 -0.015 0.000 1.917 118 A HA -0.228 4.092 4.320 0.000 0.000 0.219 118 A C 2.475 180.120 177.584 0.100 0.000 1.182 118 A CA 2.406 54.495 52.037 0.087 0.000 0.633 118 A CB -0.778 18.101 19.000 -0.200 0.000 0.819 118 A HN 0.411 nan 8.150 nan 0.000 0.448 119 S N -1.419 114.188 115.700 -0.155 0.000 2.402 119 S HA -0.073 4.397 4.470 0.000 0.000 0.229 119 S C 1.595 176.282 174.600 0.145 0.000 1.021 119 S CA 1.218 59.364 58.200 -0.091 0.000 0.974 119 S CB -0.455 62.389 63.200 -0.593 0.000 0.800 119 S HN 0.635 nan 8.310 nan 0.000 0.484 120 F N 1.838 121.711 119.950 -0.129 0.000 2.113 120 F HA -0.059 4.468 4.527 0.000 0.000 0.297 120 F C 1.642 177.452 175.800 0.016 0.000 1.103 120 F CA 1.207 59.123 58.000 -0.140 0.000 1.248 120 F CB -0.458 38.291 39.000 -0.419 0.000 0.999 120 F HN 0.103 nan 8.300 nan 0.000 0.475 121 F N 0.194 120.201 119.950 0.094 0.000 2.134 121 F HA -0.224 4.303 4.527 0.000 0.000 0.299 121 F C 2.652 178.397 175.800 -0.091 0.000 1.097 121 F CA 1.759 59.760 58.000 0.003 0.000 1.264 121 F CB -1.175 37.912 39.000 0.145 0.000 1.001 121 F HN 0.081 nan 8.300 nan 0.000 0.479 122 M N -1.179 118.425 119.600 0.008 0.000 2.132 122 M HA -0.226 4.254 4.480 0.000 0.000 0.263 122 M C 2.283 178.580 176.300 -0.004 0.000 1.065 122 M CA 1.652 56.741 55.300 -0.351 0.000 1.122 122 M CB -0.457 31.679 32.600 -0.774 0.000 1.365 122 M HN 0.148 nan 8.290 nan 0.000 0.411 123 F N 0.408 120.424 119.950 0.110 0.000 2.095 123 F HA -0.231 4.296 4.527 0.000 0.000 0.298 123 F C 1.827 177.713 175.800 0.144 0.000 1.104 123 F CA 2.041 60.178 58.000 0.228 0.000 1.232 123 F CB -0.524 38.438 39.000 -0.065 0.000 0.987 123 F HN -0.056 nan 8.300 nan 0.000 0.475 124 V N 0.368 120.316 119.914 0.056 0.000 2.358 124 V HA -0.273 3.847 4.120 0.000 0.000 0.246 124 V C 2.703 178.818 176.094 0.035 0.000 1.047 124 V CA 1.614 63.918 62.300 0.006 0.000 1.035 124 V CB -1.570 30.201 31.823 -0.087 0.000 0.658 124 V HN 0.497 nan 8.190 nan 0.000 0.452 125 A N 0.068 122.889 122.820 0.001 0.000 1.865 125 A HA -0.185 4.135 4.320 0.000 0.000 0.217 125 A C 2.412 179.980 177.584 -0.027 0.000 1.191 125 A CA 2.343 54.379 52.037 -0.003 0.000 0.623 125 A CB -0.837 18.108 19.000 -0.093 0.000 0.826 125 A HN 0.319 nan 8.150 nan 0.000 0.444 126 V N -2.279 117.492 119.914 -0.239 0.000 2.295 126 V HA -0.297 3.823 4.120 0.000 0.000 0.246 126 V C 2.296 178.258 176.094 -0.220 0.000 1.049 126 V CA 1.972 64.043 62.300 -0.383 0.000 1.024 126 V CB -1.087 30.092 31.823 -1.074 0.000 0.648 126 V HN 0.788 nan 8.190 nan 0.000 0.447 127 W N 0.675 121.862 121.300 -0.188 0.000 2.402 127 W HA -0.146 4.514 4.660 0.000 0.000 0.286 127 W C 2.928 179.515 176.519 0.114 0.000 1.221 127 W CA 1.437 58.725 57.345 -0.095 0.000 1.257 127 W CB -0.442 28.811 29.460 -0.344 0.000 1.120 127 W HN 0.372 nan 8.180 nan 0.000 0.551 128 S N -0.991 114.880 115.700 0.285 0.000 2.387 128 S HA -0.225 4.245 4.470 0.000 0.000 0.226 128 S C 1.705 176.448 174.600 0.239 0.000 1.026 128 S CA 0.822 59.167 58.200 0.242 0.000 0.972 128 S CB -1.210 62.106 63.200 0.193 0.000 0.814 128 S HN 0.481 nan 8.310 nan 0.000 0.477 129 W N 0.922 122.293 121.300 0.119 0.000 2.388 129 W HA -0.086 4.574 4.660 0.000 0.000 0.294 129 W C 1.907 178.561 176.519 0.225 0.000 1.212 129 W CA 1.001 58.419 57.345 0.121 0.000 1.271 129 W CB -0.500 29.015 29.460 0.092 0.000 1.126 129 W HN 0.524 nan 8.180 nan 0.000 0.535 130 W N 1.652 123.133 121.300 0.301 0.000 2.363 130 W HA -0.084 4.576 4.660 0.000 0.000 0.296 130 W C 2.415 179.003 176.519 0.115 0.000 1.212 130 W CA 3.148 60.639 57.345 0.244 0.000 1.260 130 W CB -0.827 28.568 29.460 -0.108 0.000 1.131 130 W HN -0.119 nan 8.180 nan 0.000 0.530 131 G N 0.389 109.242 108.800 0.087 0.000 2.418 131 G HA2 -0.308 3.652 3.960 0.000 0.000 0.217 131 G HA3 -0.308 3.652 3.960 0.000 0.000 0.217 131 G C 1.617 176.346 174.900 -0.284 0.000 1.158 131 G CA 1.029 46.038 45.100 -0.153 0.000 0.771 131 G HN 0.326 nan 8.290 nan 0.000 0.545 132 R N 0.461 120.787 120.500 -0.289 0.000 2.083 132 R HA -0.130 4.210 4.340 0.000 0.000 0.237 132 R C 2.900 178.910 176.300 -0.484 0.000 1.137 132 R CA 2.238 58.089 56.100 -0.415 0.000 0.951 132 R CB -0.736 29.182 30.300 -0.636 0.000 0.851 132 R HN 0.464 nan 8.270 nan 0.000 0.434 133 T N -1.855 112.381 114.554 -0.530 0.000 2.803 133 T HA -0.234 4.116 4.350 0.000 0.000 0.269 133 T C 1.815 176.241 174.700 -0.456 0.000 1.052 133 T CA 1.371 63.195 62.100 -0.460 0.000 1.136 133 T CB -0.595 68.072 68.868 -0.335 0.000 0.864 133 T HN 0.446 nan 8.240 nan 0.000 0.467 134 Y N 1.857 121.750 120.300 -0.678 0.000 2.153 134 Y HA 0.177 4.727 4.550 0.000 0.000 0.289 134 Y C 2.208 177.835 175.900 -0.454 0.000 1.127 134 Y CA 0.980 58.687 58.100 -0.655 0.000 1.131 134 Y CB -0.394 37.559 38.460 -0.846 0.000 0.995 134 Y HN 0.137 nan 8.280 nan 0.000 0.505 135 L N -0.185 120.950 121.223 -0.146 0.000 2.046 135 L HA -0.240 4.100 4.340 0.000 0.000 0.208 135 L C 2.536 179.228 176.870 -0.296 0.000 1.077 135 L CA 1.215 55.960 54.840 -0.159 0.000 0.747 135 L CB -0.556 41.419 42.059 -0.141 0.000 0.896 135 L HN 0.147 nan 8.230 nan 0.000 0.432 136 R N 0.202 120.478 120.500 -0.372 0.000 2.152 136 R HA -0.088 4.252 4.340 0.000 0.000 0.232 136 R C 2.219 178.311 176.300 -0.347 0.000 1.117 136 R CA 1.363 57.215 56.100 -0.413 0.000 0.981 136 R CB -0.748 29.302 30.300 -0.418 0.000 0.870 136 R HN 0.381 nan 8.270 nan 0.000 0.451 137 A N 0.901 123.500 122.820 -0.368 0.000 1.930 137 A HA -0.153 4.167 4.320 0.000 0.000 0.215 137 A C 2.192 179.578 177.584 -0.330 0.000 1.176 137 A CA 1.028 52.853 52.037 -0.352 0.000 0.632 137 A CB -0.357 18.382 19.000 -0.435 0.000 0.819 137 A HN 0.338 nan 8.150 nan 0.000 0.445 138 Q N -0.301 119.279 119.800 -0.367 0.000 2.084 138 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 138 Q C 2.123 178.009 176.000 -0.190 0.000 0.978 138 Q CA 1.575 57.215 55.803 -0.273 0.000 0.844 138 Q CB -0.348 28.262 28.738 -0.214 0.000 0.898 138 Q HN 0.574 nan 8.270 nan 0.000 0.426 139 A N 0.398 123.096 122.820 -0.204 0.000 2.024 139 A HA -0.110 4.210 4.320 0.000 0.000 0.220 139 A C 1.744 179.238 177.584 -0.150 0.000 1.164 139 A CA 1.050 52.984 52.037 -0.172 0.000 0.643 139 A CB -0.307 18.555 19.000 -0.230 0.000 0.806 139 A HN 0.453 nan 8.150 nan 0.000 0.451 140 L N -1.569 119.552 121.223 -0.168 0.000 2.640 140 L HA 0.277 4.617 4.340 0.000 0.000 0.230 140 L C 1.570 178.369 176.870 -0.120 0.000 1.123 140 L CA 0.447 55.205 54.840 -0.136 0.000 0.900 140 L CB 0.109 42.079 42.059 -0.147 0.000 1.146 140 L HN 0.514 nan 8.230 nan 0.000 0.484 141 G N 0.255 108.978 108.800 -0.127 0.000 2.155 141 G HA2 -0.321 3.639 3.960 0.000 0.000 0.257 141 G HA3 -0.321 3.639 3.960 0.000 0.000 0.257 141 G C 0.329 175.161 174.900 -0.113 0.000 0.983 141 G CA 0.285 45.321 45.100 -0.107 0.000 0.676 141 G HN 0.276 nan 8.290 nan 0.000 0.528 142 M N 0.420 119.933 119.600 -0.145 0.000 2.227 142 M HA 0.510 4.990 4.480 0.000 0.000 0.316 142 M C 1.461 177.674 176.300 -0.145 0.000 1.144 142 M CA 0.247 55.464 55.300 -0.138 0.000 1.121 142 M CB 0.516 33.022 32.600 -0.157 0.000 1.440 142 M HN 0.213 nan 8.290 nan 0.000 0.473 143 G N 0.489 109.249 108.800 -0.067 0.000 2.667 143 G HA2 0.161 4.121 3.960 0.000 0.000 0.250 143 G HA3 0.161 4.121 3.960 0.000 0.000 0.250 143 G C 0.183 175.020 174.900 -0.104 0.000 1.212 143 G CA -0.592 44.524 45.100 0.026 0.000 0.874 143 G HN 0.620 nan 8.290 nan 0.000 0.561 144 K N -0.057 120.172 120.400 -0.286 0.000 2.500 144 K HA 0.101 4.421 4.320 0.000 0.000 0.206 144 K C 1.303 177.501 176.600 -0.670 0.000 1.034 144 K CA -0.149 55.728 56.287 -0.683 0.000 1.179 144 K CB -0.078 31.753 32.500 -1.115 0.000 0.884 144 K HN 0.585 nan 8.250 nan 0.000 0.493 145 H N 0.134 119.031 119.070 -0.288 0.000 2.422 145 H HA -0.083 4.473 4.556 0.000 0.000 0.298 145 H C 1.635 176.901 175.328 -0.102 0.000 1.098 145 H CA 1.832 57.821 56.048 -0.098 0.000 1.315 145 H CB -0.179 29.552 29.762 -0.052 0.000 1.382 145 H HN 0.089 nan 8.280 nan 0.000 0.523 146 T N -0.112 114.406 114.554 -0.060 0.000 2.812 146 T HA -0.047 4.303 4.350 0.000 0.000 0.264 146 T C 2.372 177.069 174.700 -0.005 0.000 1.042 146 T CA 1.051 63.119 62.100 -0.052 0.000 1.140 146 T CB -0.382 68.412 68.868 -0.124 0.000 0.870 146 T HN 0.514 nan 8.240 nan 0.000 0.445 147 A N 0.580 123.293 122.820 -0.179 0.000 1.902 147 A HA -0.065 4.255 4.320 0.000 0.000 0.217 147 A C 2.139 179.980 177.584 0.429 0.000 1.181 147 A CA 1.116 53.103 52.037 -0.082 0.000 0.623 147 A CB -1.118 17.548 19.000 -0.557 0.000 0.818 147 A HN 0.726 nan 8.150 nan 0.000 0.443 148 W N -0.447 120.998 121.300 0.242 0.000 2.355 148 W HA -0.071 4.589 4.660 0.000 0.000 0.309 148 W C 2.770 179.352 176.519 0.105 0.000 1.206 148 W CA 0.531 57.978 57.345 0.169 0.000 1.284 148 W CB -0.102 29.359 29.460 0.001 0.000 1.145 148 W HN 0.405 nan 8.180 nan 0.000 0.502 149 A N 0.039 123.041 122.820 0.305 0.000 1.933 149 A HA -0.231 4.090 4.320 0.000 0.000 0.218 149 A C 1.729 179.483 177.584 0.284 0.000 1.175 149 A CA 1.274 53.411 52.037 0.167 0.000 0.628 149 A CB -1.109 17.942 19.000 0.084 0.000 0.814 149 A HN 0.349 nan 8.150 nan 0.000 0.444 150 F N 0.504 120.562 119.950 0.180 0.000 2.216 150 F HA -0.062 4.465 4.527 0.000 0.000 0.300 150 F C 1.823 177.738 175.800 0.192 0.000 1.085 150 F CA 0.745 58.862 58.000 0.195 0.000 1.326 150 F CB -0.583 38.573 39.000 0.261 0.000 1.027 150 F HN 0.153 nan 8.300 nan 0.000 0.497 151 L N -0.845 120.526 121.223 0.246 0.000 2.079 151 L HA -0.253 4.087 4.340 0.000 0.000 0.210 151 L C 2.749 179.647 176.870 0.046 0.000 1.081 151 L CA 1.648 56.478 54.840 -0.017 0.000 0.752 151 L CB -0.774 41.352 42.059 0.112 0.000 0.896 151 L HN 0.207 nan 8.230 nan 0.000 0.433 152 S N -0.532 115.238 115.700 0.116 0.000 2.383 152 S HA -0.196 4.274 4.470 0.000 0.000 0.229 152 S C 2.041 176.775 174.600 0.223 0.000 1.030 152 S CA 1.320 59.606 58.200 0.142 0.000 1.002 152 S CB -0.025 63.224 63.200 0.083 0.000 0.829 152 S HN 0.489 nan 8.310 nan 0.000 0.467 153 A N 1.012 123.948 122.820 0.193 0.000 1.929 153 A HA 0.122 4.442 4.320 0.000 0.000 0.216 153 A C 2.095 179.771 177.584 0.154 0.000 1.176 153 A CA 1.153 53.309 52.037 0.198 0.000 0.628 153 A CB -0.654 18.502 19.000 0.260 0.000 0.816 153 A HN 0.608 nan 8.150 nan 0.000 0.444 154 I N -1.240 119.329 120.570 -0.000 0.000 2.286 154 I HA -0.285 3.885 4.170 0.000 0.000 0.248 154 I C 2.464 178.718 176.117 0.230 0.000 1.115 154 I CA 1.313 62.584 61.300 -0.049 0.000 1.392 154 I CB -0.294 37.349 38.000 -0.595 0.000 1.065 154 I HN 0.759 nan 8.210 nan 0.000 0.418 155 W N 1.688 122.998 121.300 0.016 0.000 2.317 155 W HA -0.283 4.377 4.660 0.000 0.000 0.318 155 W C 2.250 178.821 176.519 0.088 0.000 1.227 155 W CA 1.471 58.846 57.345 0.051 0.000 1.269 155 W CB -0.406 29.070 29.460 0.026 0.000 1.155 155 W HN 0.131 nan 8.180 nan 0.000 0.484 156 L N 0.289 121.513 121.223 0.001 0.000 2.017 156 L HA -0.234 4.106 4.340 0.000 0.000 0.208 156 L C 2.504 179.356 176.870 -0.031 0.000 1.073 156 L CA 2.564 57.320 54.840 -0.140 0.000 0.745 156 L CB -1.157 40.925 42.059 0.038 0.000 0.894 156 L HN 0.235 nan 8.230 nan 0.000 0.432 157 W N 0.445 121.708 121.300 -0.061 0.000 2.335 157 W HA -0.277 4.383 4.660 0.000 0.000 0.311 157 W C 2.400 178.967 176.519 0.079 0.000 1.213 157 W CA 1.430 58.770 57.345 -0.008 0.000 1.274 157 W CB -0.272 29.175 29.460 -0.022 0.000 1.148 157 W HN 0.057 nan 8.180 nan 0.000 0.498 158 M N 0.177 119.673 119.600 -0.173 0.000 2.117 158 M HA -0.180 4.300 4.480 0.000 0.000 0.262 158 M C 1.963 178.175 176.300 -0.146 0.000 1.065 158 M CA 1.522 56.676 55.300 -0.244 0.000 1.114 158 M CB -1.661 30.940 32.600 0.002 0.000 1.361 158 M HN -0.014 nan 8.290 nan 0.000 0.408 159 V N 0.488 120.227 119.914 -0.291 0.000 2.343 159 V HA -0.264 3.856 4.120 0.000 0.000 0.247 159 V C 2.513 178.509 176.094 -0.163 0.000 1.051 159 V CA 1.440 63.545 62.300 -0.325 0.000 1.036 159 V CB -0.634 30.818 31.823 -0.618 0.000 0.654 159 V HN 0.392 nan 8.190 nan 0.000 0.451 160 L N 0.143 121.270 121.223 -0.160 0.000 2.027 160 L HA -0.052 4.288 4.340 0.000 0.000 0.206 160 L C 2.288 179.080 176.870 -0.131 0.000 1.074 160 L CA 1.856 56.628 54.840 -0.114 0.000 0.745 160 L CB -0.707 41.275 42.059 -0.129 0.000 0.898 160 L HN 0.479 nan 8.230 nan 0.000 0.433 161 G N -2.793 105.869 108.800 -0.231 0.000 3.159 161 G HA2 0.124 4.085 3.960 0.000 0.000 0.232 161 G HA3 0.124 4.085 3.960 0.000 0.000 0.232 161 G C 0.693 175.223 174.900 -0.617 0.000 1.116 161 G CA -0.061 44.804 45.100 -0.392 0.000 0.767 161 G HN 0.207 nan 8.290 nan 0.000 0.547 162 F N -0.684 119.277 119.950 0.019 0.000 1.901 162 F HA 0.342 4.869 4.527 0.000 0.000 0.239 162 F C 2.211 178.056 175.800 0.075 0.000 1.133 162 F CA -0.305 57.778 58.000 0.139 0.000 1.271 162 F CB -0.200 38.819 39.000 0.032 0.000 1.652 162 F HN -0.090 nan 8.300 nan 0.000 0.543 163 I N 0.882 121.574 120.570 0.203 0.000 2.163 163 I HA -0.316 3.855 4.170 0.000 0.000 0.243 163 I C 2.577 178.718 176.117 0.040 0.000 1.085 163 I CA 1.884 63.239 61.300 0.091 0.000 1.347 163 I CB -0.474 37.545 38.000 0.031 0.000 1.044 163 I HN 0.166 nan 8.210 nan 0.000 0.408 164 R N 0.971 121.484 120.500 0.022 0.000 2.066 164 R HA -0.118 4.222 4.340 0.000 0.000 0.232 164 R C -0.399 175.923 176.300 0.037 0.000 1.131 164 R CA 1.541 57.663 56.100 0.037 0.000 0.955 164 R CB -1.049 29.294 30.300 0.071 0.000 0.851 164 R HN 0.198 nan 8.270 nan 0.000 0.432 165 P HA -0.150 nan 4.420 nan 0.000 0.215 165 P C 1.090 178.292 177.300 -0.164 0.000 1.153 165 P CA 1.390 64.484 63.100 -0.010 0.000 0.853 165 P CB -0.011 31.740 31.700 0.084 0.000 0.788 166 I N -1.434 119.036 120.570 -0.166 0.000 2.226 166 I HA -0.224 3.946 4.170 0.000 0.000 0.245 166 I C 2.195 178.229 176.117 -0.138 0.000 1.100 166 I CA 1.364 62.529 61.300 -0.225 0.000 1.374 166 I CB -0.551 37.383 38.000 -0.109 0.000 1.057 166 I HN -0.097 nan 8.210 nan 0.000 0.413 167 L N -0.425 120.759 121.223 -0.064 0.000 2.201 167 L HA -0.181 4.159 4.340 0.000 0.000 0.212 167 L C 2.445 179.287 176.870 -0.048 0.000 1.105 167 L CA 0.812 55.628 54.840 -0.041 0.000 0.775 167 L CB -0.367 41.688 42.059 -0.005 0.000 0.913 167 L HN 0.310 nan 8.230 nan 0.000 0.440 168 M N -0.916 118.654 119.600 -0.050 0.000 2.492 168 M HA 0.084 4.564 4.480 0.000 0.000 0.262 168 M C 1.674 177.924 176.300 -0.083 0.000 1.090 168 M CA 1.164 56.438 55.300 -0.044 0.000 1.110 168 M CB -0.717 31.877 32.600 -0.010 0.000 1.407 168 M HN 0.427 nan 8.290 nan 0.000 0.470 169 G N 1.217 109.935 108.800 -0.136 0.000 2.176 169 G HA2 -0.199 3.761 3.960 0.000 0.000 0.232 169 G HA3 -0.199 3.761 3.960 0.000 0.000 0.232 169 G C 0.191 174.954 174.900 -0.228 0.000 0.986 169 G CA 0.450 45.447 45.100 -0.172 0.000 0.643 169 G HN 0.701 nan 8.290 nan 0.000 0.522 170 S N -2.051 113.497 115.700 -0.253 0.000 2.542 170 S HA 0.495 4.965 4.470 0.000 0.000 0.276 170 S C 0.361 174.824 174.600 -0.228 0.000 1.148 170 S CA 0.012 58.052 58.200 -0.266 0.000 0.886 170 S CB 0.403 63.538 63.200 -0.109 0.000 1.109 170 S HN 0.456 nan 8.310 nan 0.000 0.458 171 W N 1.823 123.103 121.300 -0.033 0.000 2.421 171 W HA -0.065 4.595 4.660 0.000 0.000 0.270 171 W C 2.657 179.020 176.519 -0.260 0.000 1.233 171 W CA 0.883 58.157 57.345 -0.119 0.000 1.226 171 W CB -0.127 29.270 29.460 -0.106 0.000 1.121 171 W HN 0.944 nan 8.180 nan 0.000 0.579 172 S N -0.053 115.660 115.700 0.022 0.000 2.500 172 S HA -0.178 4.292 4.470 0.000 0.000 0.239 172 S C 1.397 176.020 174.600 0.038 0.000 0.989 172 S CA 1.161 59.344 58.200 -0.030 0.000 0.951 172 S CB -0.275 62.931 63.200 0.010 0.000 0.759 172 S HN 0.256 nan 8.310 nan 0.000 0.523 173 E N 1.471 121.719 120.200 0.080 0.000 2.435 173 E HA 0.316 4.666 4.350 0.000 0.000 0.195 173 E C 1.102 177.895 176.600 0.320 0.000 1.029 173 E CA 0.511 57.032 56.400 0.200 0.000 0.865 173 E CB -0.206 29.583 29.700 0.148 0.000 0.833 173 E HN 0.729 nan 8.360 nan 0.000 0.510 174 A N 0.942 123.842 122.820 0.133 0.000 2.280 174 A HA 0.323 4.643 4.320 0.000 0.000 0.268 174 A C 0.356 177.830 177.584 -0.183 0.000 1.111 174 A CA -0.450 51.610 52.037 0.039 0.000 0.814 174 A CB 0.569 19.642 19.000 0.123 0.000 1.093 174 A HN -0.042 nan 8.150 nan 0.000 0.498 175 V N 2.240 121.875 119.914 -0.465 0.000 2.546 175 V HA 0.349 4.469 4.120 0.000 0.000 0.284 175 V C -1.883 174.008 176.094 -0.339 0.000 1.050 175 V CA -1.152 60.642 62.300 -0.844 0.000 0.981 175 V CB 0.958 32.228 31.823 -0.922 0.000 0.990 175 V HN 0.860 nan 8.190 nan 0.000 0.474 176 P HA 0.240 nan 4.420 nan 0.000 0.276 176 P C -1.451 175.823 177.300 -0.044 0.000 1.244 176 P CA -0.464 62.624 63.100 -0.019 0.000 0.801 176 P CB 0.636 32.389 31.700 0.090 0.000 1.006 177 Y N 0.470 120.969 120.300 0.332 0.000 2.535 177 Y HA 0.572 5.122 4.550 0.000 0.000 0.349 177 Y C 1.290 177.374 175.900 0.307 0.000 0.992 177 Y CA 0.460 58.699 58.100 0.233 0.000 1.248 177 Y CB 0.354 38.892 38.460 0.131 0.000 1.124 177 Y HN 0.554 nan 8.280 nan 0.000 0.520 178 G N 2.168 111.186 108.800 0.364 0.000 2.691 178 G HA2 0.304 4.264 3.960 0.000 0.000 0.298 178 G HA3 0.304 4.264 3.960 0.000 0.000 0.298 178 G C -0.039 175.041 174.900 0.299 0.000 1.471 178 G CA -0.788 44.541 45.100 0.381 0.000 0.912 178 G HN 0.246 nan 8.290 nan 0.000 0.553 179 I N 1.015 121.721 120.570 0.227 0.000 2.076 179 I HA -0.057 4.113 4.170 0.000 0.000 0.237 179 I C 2.439 178.800 176.117 0.407 0.000 1.059 179 I CA 1.544 62.985 61.300 0.234 0.000 1.317 179 I CB -0.995 37.027 38.000 0.037 0.000 1.037 179 I HN 0.458 nan 8.210 nan 0.000 0.398 180 F N 1.574 121.595 119.950 0.119 0.000 2.234 180 F HA -0.079 4.448 4.527 0.000 0.000 0.296 180 F C 2.976 178.825 175.800 0.082 0.000 1.089 180 F CA 0.948 58.950 58.000 0.003 0.000 1.343 180 F CB -1.609 37.256 39.000 -0.225 0.000 1.040 180 F HN 0.177 nan 8.300 nan 0.000 0.498 181 S N 0.292 116.189 115.700 0.329 0.000 2.370 181 S HA -0.272 4.198 4.470 0.000 0.000 0.226 181 S C 2.112 176.913 174.600 0.336 0.000 1.033 181 S CA 1.688 60.062 58.200 0.289 0.000 1.011 181 S CB -1.277 62.084 63.200 0.267 0.000 0.852 181 S HN 0.641 nan 8.310 nan 0.000 0.457 182 H N 1.872 121.075 119.070 0.221 0.000 2.524 182 H HA 0.181 4.737 4.556 0.000 0.000 0.282 182 H C 1.845 177.336 175.328 0.271 0.000 1.016 182 H CA 1.083 57.258 56.048 0.212 0.000 1.270 182 H CB -0.511 29.326 29.762 0.125 0.000 1.394 182 H HN 0.456 nan 8.280 nan 0.000 0.568 183 L N 0.558 121.731 121.223 -0.084 0.000 2.095 183 L HA -0.087 4.253 4.340 0.000 0.000 0.204 183 L C 2.235 179.130 176.870 0.043 0.000 1.080 183 L CA 1.019 55.786 54.840 -0.122 0.000 0.759 183 L CB -0.268 41.747 42.059 -0.072 0.000 0.914 183 L HN 0.115 nan 8.230 nan 0.000 0.439 184 D N -0.364 120.098 120.400 0.104 0.000 2.123 184 D HA -0.252 4.389 4.640 0.000 0.000 0.196 184 D C 1.776 178.168 176.300 0.154 0.000 0.992 184 D CA 1.294 55.354 54.000 0.101 0.000 0.833 184 D CB -0.242 40.627 40.800 0.116 0.000 0.954 184 D HN 0.427 nan 8.370 nan 0.000 0.455 185 W N 1.806 123.141 121.300 0.059 0.000 2.358 185 W HA -0.209 4.452 4.660 0.000 0.000 0.303 185 W C 2.235 178.817 176.519 0.105 0.000 1.208 185 W CA 2.080 59.482 57.345 0.094 0.000 1.274 185 W CB -0.316 29.213 29.460 0.116 0.000 1.138 185 W HN -0.158 nan 8.180 nan 0.000 0.515 186 T N 0.362 115.141 114.554 0.375 0.000 2.708 186 T HA -0.274 4.076 4.350 0.000 0.000 0.266 186 T C 1.432 176.136 174.700 0.006 0.000 1.037 186 T CA 1.745 63.961 62.100 0.193 0.000 1.146 186 T CB -0.678 68.290 68.868 0.167 0.000 0.865 186 T HN 0.248 nan 8.240 nan 0.000 0.435 187 N N 1.681 120.382 118.700 0.001 0.000 2.084 187 N HA -0.122 4.618 4.740 0.000 0.000 0.190 187 N C 1.704 177.179 175.510 -0.060 0.000 1.030 187 N CA 1.640 54.667 53.050 -0.039 0.000 0.849 187 N CB -0.565 37.902 38.487 -0.034 0.000 1.012 187 N HN 0.270 nan 8.380 nan 0.000 0.423 188 N N -0.790 117.863 118.700 -0.079 0.000 2.166 188 N HA -0.154 4.586 4.740 0.000 0.000 0.186 188 N C 1.513 176.927 175.510 -0.159 0.000 1.019 188 N CA 0.975 53.952 53.050 -0.121 0.000 0.856 188 N CB -0.518 37.888 38.487 -0.135 0.000 0.993 188 N HN 0.317 nan 8.380 nan 0.000 0.426 189 F N 0.399 120.097 119.950 -0.420 0.000 2.161 189 F HA -0.114 4.413 4.527 0.000 0.000 0.300 189 F C 2.663 178.408 175.800 -0.093 0.000 1.089 189 F CA 1.501 59.266 58.000 -0.392 0.000 1.282 189 F CB -0.791 37.742 39.000 -0.778 0.000 1.010 189 F HN 0.052 nan 8.300 nan 0.000 0.485 190 S N -0.192 115.572 115.700 0.106 0.000 2.368 190 S HA -0.119 4.351 4.470 0.000 0.000 0.224 190 S C 2.019 176.621 174.600 0.003 0.000 1.029 190 S CA 1.081 59.308 58.200 0.044 0.000 0.988 190 S CB -0.509 62.631 63.200 -0.100 0.000 0.838 190 S HN 0.253 nan 8.310 nan 0.000 0.462 191 L N 1.708 122.904 121.223 -0.046 0.000 1.989 191 L HA -0.047 4.293 4.340 0.000 0.000 0.211 191 L C 2.523 179.340 176.870 -0.087 0.000 1.071 191 L CA 1.573 56.379 54.840 -0.057 0.000 0.749 191 L CB -1.304 40.712 42.059 -0.071 0.000 0.890 191 L HN 0.196 nan 8.230 nan 0.000 0.431 192 V N -1.262 118.555 119.914 -0.162 0.000 2.720 192 V HA -0.256 3.864 4.120 0.000 0.000 0.256 192 V C 1.304 177.124 176.094 -0.456 0.000 1.082 192 V CA 1.446 63.560 62.300 -0.310 0.000 1.101 192 V CB -0.914 30.660 31.823 -0.414 0.000 0.693 192 V HN 0.555 nan 8.190 nan 0.000 0.479 193 H N -0.513 118.441 119.070 -0.194 0.000 2.487 193 H HA 0.460 5.016 4.556 0.000 0.000 0.290 193 H C 1.443 176.824 175.328 0.088 0.000 1.081 193 H CA 0.335 56.321 56.048 -0.103 0.000 1.116 193 H CB 0.051 29.749 29.762 -0.106 0.000 1.560 193 H HN 0.360 nan 8.280 nan 0.000 0.548 194 G N 1.906 110.780 108.800 0.124 0.000 2.272 194 G HA2 -0.361 3.599 3.960 0.000 0.000 0.280 194 G HA3 -0.361 3.599 3.960 0.000 0.000 0.280 194 G C -0.394 174.714 174.900 0.348 0.000 1.067 194 G CA 0.242 45.466 45.100 0.207 0.000 0.902 194 G HN 0.662 nan 8.290 nan 0.000 0.500 195 N N -1.788 117.053 118.700 0.235 0.000 2.883 195 N HA -0.147 4.593 4.740 0.000 0.000 0.277 195 N C 1.047 176.644 175.510 0.145 0.000 1.707 195 N CA 0.815 53.964 53.050 0.164 0.000 1.494 195 N CB -1.022 37.632 38.487 0.277 0.000 0.821 195 N HN 0.475 nan 8.380 nan 0.000 0.482 196 L N 2.809 123.949 121.223 -0.137 0.000 2.353 196 L HA -0.112 4.228 4.340 0.000 0.000 0.220 196 L C 1.695 178.394 176.870 -0.284 0.000 1.133 196 L CA 0.795 55.433 54.840 -0.336 0.000 0.798 196 L CB -0.332 41.308 42.059 -0.699 0.000 0.922 196 L HN 0.448 nan 8.230 nan 0.000 0.445 197 F N -0.960 118.869 119.950 -0.201 0.000 2.307 197 F HA -0.217 4.310 4.527 0.000 0.000 0.301 197 F C 1.859 177.559 175.800 -0.168 0.000 1.076 197 F CA 0.875 58.781 58.000 -0.157 0.000 1.383 197 F CB -0.800 38.044 39.000 -0.260 0.000 1.055 197 F HN 0.095 nan 8.300 nan 0.000 0.526 198 Y N -1.280 119.181 120.300 0.269 0.000 2.466 198 Y HA 0.082 4.632 4.550 0.000 0.000 0.272 198 Y C 1.096 177.083 175.900 0.145 0.000 1.169 198 Y CA -0.486 57.790 58.100 0.292 0.000 1.285 198 Y CB -0.615 38.110 38.460 0.441 0.000 1.078 198 Y HN -0.144 nan 8.280 nan 0.000 0.523 199 N N 2.685 121.298 118.700 -0.145 0.000 2.411 199 N HA 0.035 4.775 4.740 0.000 0.000 0.259 199 N C -1.754 173.523 175.510 -0.388 0.000 1.103 199 N CA -1.845 50.664 53.050 -0.902 0.000 0.954 199 N CB 1.365 39.014 38.487 -1.397 0.000 1.085 199 N HN 0.020 nan 8.380 nan 0.000 0.485 200 P HA -0.136 nan 4.420 nan 0.000 0.216 200 P C 1.138 178.271 177.300 -0.278 0.000 1.150 200 P CA 1.261 64.230 63.100 -0.219 0.000 0.837 200 P CB 0.004 31.570 31.700 -0.223 0.000 0.786 201 F N -0.853 118.981 119.950 -0.193 0.000 2.407 201 F HA -0.097 4.430 4.527 0.000 0.000 0.299 201 F C 2.820 178.596 175.800 -0.041 0.000 1.097 201 F CA 1.016 58.969 58.000 -0.077 0.000 1.422 201 F CB -1.146 37.813 39.000 -0.069 0.000 1.067 201 F HN 0.110 nan 8.300 nan 0.000 0.539 202 H N -0.342 118.695 119.070 -0.055 0.000 2.395 202 H HA -0.037 4.519 4.556 0.000 0.000 0.299 202 H C 2.375 177.690 175.328 -0.023 0.000 1.070 202 H CA 1.350 57.370 56.048 -0.046 0.000 1.356 202 H CB -0.303 29.389 29.762 -0.117 0.000 1.401 202 H HN 0.318 nan 8.280 nan 0.000 0.524 203 G N 1.077 109.866 108.800 -0.019 0.000 2.408 203 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 203 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 203 G C 1.991 176.799 174.900 -0.153 0.000 1.150 203 G CA 0.470 45.520 45.100 -0.084 0.000 0.776 203 G HN 0.321 nan 8.290 nan 0.000 0.542 204 L N 0.465 121.626 121.223 -0.103 0.000 2.027 204 L HA -0.076 4.264 4.340 0.000 0.000 0.206 204 L C 3.104 179.956 176.870 -0.030 0.000 1.074 204 L CA 1.275 56.055 54.840 -0.101 0.000 0.745 204 L CB -0.450 41.646 42.059 0.062 0.000 0.898 204 L HN 0.335 nan 8.230 nan 0.000 0.433 205 S N 0.120 115.864 115.700 0.072 0.000 2.383 205 S HA -0.185 4.285 4.470 0.000 0.000 0.229 205 S C 1.945 176.509 174.600 -0.060 0.000 1.030 205 S CA 1.291 59.559 58.200 0.114 0.000 1.002 205 S CB -0.232 62.992 63.200 0.040 0.000 0.829 205 S HN 0.292 nan 8.310 nan 0.000 0.467 206 I N 1.221 121.624 120.570 -0.278 0.000 2.252 206 I HA -0.129 4.041 4.170 0.000 0.000 0.245 206 I C 2.740 178.549 176.117 -0.514 0.000 1.102 206 I CA 0.988 61.994 61.300 -0.490 0.000 1.385 206 I CB -0.532 37.120 38.000 -0.581 0.000 1.064 206 I HN 0.365 nan 8.210 nan 0.000 0.414 207 A N 0.824 123.416 122.820 -0.379 0.000 1.940 207 A HA -0.208 4.112 4.320 0.000 0.000 0.219 207 A C 1.975 179.399 177.584 -0.267 0.000 1.176 207 A CA 1.671 53.502 52.037 -0.344 0.000 0.631 207 A CB -0.825 17.881 19.000 -0.491 0.000 0.814 207 A HN 0.353 nan 8.150 nan 0.000 0.446 208 F N -1.131 118.822 119.950 0.005 0.000 2.367 208 F HA 0.041 4.568 4.527 0.000 0.000 0.298 208 F C 1.915 177.758 175.800 0.071 0.000 1.094 208 F CA 0.719 58.759 58.000 0.066 0.000 1.409 208 F CB -0.526 38.526 39.000 0.086 0.000 1.064 208 F HN 0.238 nan 8.300 nan 0.000 0.528 209 L N -0.958 120.361 121.223 0.161 0.000 2.027 209 L HA -0.187 4.153 4.340 0.000 0.000 0.206 209 L C 2.205 179.214 176.870 0.231 0.000 1.074 209 L CA 1.898 56.823 54.840 0.142 0.000 0.745 209 L CB -1.055 41.021 42.059 0.029 0.000 0.898 209 L HN 0.027 nan 8.230 nan 0.000 0.433 210 Y N 0.273 120.620 120.300 0.079 0.000 2.145 210 Y HA -0.042 4.508 4.550 0.000 0.000 0.286 210 Y C 2.600 178.547 175.900 0.078 0.000 1.145 210 Y CA 0.874 59.010 58.100 0.060 0.000 1.148 210 Y CB -1.589 36.883 38.460 0.020 0.000 0.981 210 Y HN 0.258 nan 8.280 nan 0.000 0.507 211 G N -1.343 107.612 108.800 0.258 0.000 2.448 211 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 211 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 211 G C 1.911 176.934 174.900 0.204 0.000 1.127 211 G CA 1.219 46.440 45.100 0.202 0.000 0.766 211 G HN 0.387 nan 8.290 nan 0.000 0.552 212 S N 0.710 116.548 115.700 0.230 0.000 2.387 212 S HA 0.105 4.575 4.470 0.000 0.000 0.226 212 S C 2.746 177.481 174.600 0.225 0.000 1.026 212 S CA 0.938 59.263 58.200 0.208 0.000 0.972 212 S CB -0.192 63.132 63.200 0.207 0.000 0.814 212 S HN 0.555 nan 8.310 nan 0.000 0.477 213 A N 1.333 124.284 122.820 0.218 0.000 1.968 213 A HA 0.038 4.358 4.320 0.000 0.000 0.217 213 A C 2.078 179.761 177.584 0.166 0.000 1.169 213 A CA 1.061 53.216 52.037 0.197 0.000 0.638 213 A CB -0.566 18.531 19.000 0.161 0.000 0.812 213 A HN 0.429 nan 8.150 nan 0.000 0.446 214 L N -0.748 120.560 121.223 0.142 0.000 2.005 214 L HA -0.072 4.268 4.340 0.000 0.000 0.207 214 L C 2.174 179.096 176.870 0.086 0.000 1.072 214 L CA 2.105 57.005 54.840 0.099 0.000 0.744 214 L CB -0.662 41.445 42.059 0.080 0.000 0.895 214 L HN 0.282 nan 8.230 nan 0.000 0.433 215 L N -1.494 119.780 121.223 0.086 0.000 2.093 215 L HA -0.130 4.210 4.340 0.000 0.000 0.208 215 L C 2.249 179.206 176.870 0.145 0.000 1.085 215 L CA 1.614 56.473 54.840 0.032 0.000 0.755 215 L CB -0.858 41.204 42.059 0.004 0.000 0.904 215 L HN 0.305 nan 8.230 nan 0.000 0.435 216 F N 0.072 120.058 119.950 0.061 0.000 2.259 216 F HA 0.012 4.539 4.527 0.000 0.000 0.298 216 F C 2.379 178.221 175.800 0.070 0.000 1.088 216 F CA 0.633 58.686 58.000 0.088 0.000 1.358 216 F CB -0.942 38.113 39.000 0.092 0.000 1.040 216 F HN 0.183 nan 8.300 nan 0.000 0.505 217 A N -0.059 122.911 122.820 0.250 0.000 1.902 217 A HA -0.216 4.104 4.320 0.000 0.000 0.217 217 A C 2.339 180.006 177.584 0.138 0.000 1.181 217 A CA 1.791 53.902 52.037 0.123 0.000 0.623 217 A CB -0.684 18.372 19.000 0.092 0.000 0.818 217 A HN 0.375 nan 8.150 nan 0.000 0.443 218 M N -1.972 117.719 119.600 0.152 0.000 2.067 218 M HA -0.167 4.313 4.480 0.000 0.000 0.260 218 M C 2.336 178.747 176.300 0.185 0.000 1.069 218 M CA 2.155 57.552 55.300 0.162 0.000 1.117 218 M CB -0.522 32.030 32.600 -0.080 0.000 1.334 218 M HN 0.691 nan 8.290 nan 0.000 0.407 219 H N -0.137 118.974 119.070 0.068 0.000 2.326 219 H HA -0.033 4.523 4.556 0.000 0.000 0.301 219 H C 1.951 177.364 175.328 0.141 0.000 1.081 219 H CA 2.101 58.191 56.048 0.069 0.000 1.334 219 H CB -0.650 29.116 29.762 0.006 0.000 1.385 219 H HN 0.332 nan 8.280 nan 0.000 0.504 220 G N -0.103 108.777 108.800 0.132 0.000 2.440 220 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 220 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 220 G C 1.896 176.738 174.900 -0.097 0.000 1.154 220 G CA 1.061 46.142 45.100 -0.033 0.000 0.767 220 G HN 0.614 nan 8.290 nan 0.000 0.552 221 A N 0.066 122.860 122.820 -0.044 0.000 1.969 221 A HA 0.053 4.373 4.320 0.000 0.000 0.218 221 A C 2.525 180.045 177.584 -0.106 0.000 1.169 221 A CA 2.307 54.299 52.037 -0.075 0.000 0.635 221 A CB -0.732 18.243 19.000 -0.043 0.000 0.810 221 A HN 0.299 nan 8.150 nan 0.000 0.445 222 T N 0.619 115.138 114.554 -0.059 0.000 2.701 222 T HA -0.097 4.253 4.350 0.000 0.000 0.263 222 T C 1.806 176.455 174.700 -0.084 0.000 1.040 222 T CA 1.417 63.481 62.100 -0.060 0.000 1.147 222 T CB -0.281 68.664 68.868 0.129 0.000 0.865 222 T HN 0.284 nan 8.240 nan 0.000 0.426 223 I N 1.350 121.836 120.570 -0.139 0.000 2.208 223 I HA -0.101 4.069 4.170 0.000 0.000 0.245 223 I C 2.368 178.431 176.117 -0.089 0.000 1.097 223 I CA 1.309 62.539 61.300 -0.118 0.000 1.363 223 I CB -1.322 36.560 38.000 -0.196 0.000 1.051 223 I HN 0.274 nan 8.210 nan 0.000 0.413 224 L N 0.401 121.552 121.223 -0.120 0.000 2.131 224 L HA -0.155 4.185 4.340 0.000 0.000 0.210 224 L C 2.653 179.452 176.870 -0.119 0.000 1.092 224 L CA 1.167 55.931 54.840 -0.127 0.000 0.759 224 L CB -0.637 41.329 42.059 -0.155 0.000 0.903 224 L HN 0.192 nan 8.230 nan 0.000 0.435 225 A N -0.115 122.637 122.820 -0.113 0.000 2.014 225 A HA -0.064 4.256 4.320 0.000 0.000 0.218 225 A C 1.782 179.348 177.584 -0.029 0.000 1.163 225 A CA 1.444 53.419 52.037 -0.103 0.000 0.652 225 A CB -0.337 18.567 19.000 -0.161 0.000 0.808 225 A HN 0.337 nan 8.150 nan 0.000 0.449 226 V N -2.046 117.882 119.914 0.023 0.000 3.121 226 V HA 0.176 4.296 4.120 0.000 0.000 0.344 226 V C 1.341 177.492 176.094 0.095 0.000 1.390 226 V CA 0.740 63.156 62.300 0.192 0.000 1.177 226 V CB -0.674 31.302 31.823 0.255 0.000 1.163 226 V HN 0.498 nan 8.190 nan 0.000 0.484 227 S N 1.841 117.519 115.700 -0.038 0.000 2.481 227 S HA -0.147 4.323 4.470 0.000 0.000 0.231 227 S C 1.884 176.417 174.600 -0.112 0.000 0.996 227 S CA 0.899 59.070 58.200 -0.048 0.000 0.942 227 S CB -0.600 62.563 63.200 -0.062 0.000 0.768 227 S HN 0.861 nan 8.310 nan 0.000 0.520 228 R N -0.060 120.270 120.500 -0.285 0.000 2.316 228 R HA 0.123 4.463 4.340 0.000 0.000 0.202 228 R C 0.103 176.045 176.300 -0.596 0.000 1.029 228 R CA 0.744 56.561 56.100 -0.472 0.000 1.018 228 R CB -0.585 29.309 30.300 -0.677 0.000 0.888 228 R HN 0.523 nan 8.270 nan 0.000 0.471 229 F N 0.211 120.163 119.950 0.003 0.000 2.735 229 F HA 0.448 4.975 4.527 0.000 0.000 0.308 229 F C 1.105 176.909 175.800 0.006 0.000 1.112 229 F CA -0.435 57.568 58.000 0.004 0.000 1.235 229 F CB 1.149 40.149 39.000 0.000 0.000 1.027 229 F HN 0.190 nan 8.300 nan 0.000 0.528 230 G N 0.547 109.405 108.800 0.098 0.000 2.160 230 G HA2 -0.287 3.673 3.960 0.000 0.000 0.251 230 G HA3 -0.287 3.673 3.960 0.000 0.000 0.251 230 G C 1.467 176.415 174.900 0.080 0.000 1.008 230 G CA 0.245 45.389 45.100 0.073 0.000 0.724 230 G HN 0.694 nan 8.290 nan 0.000 0.514 231 G N 1.184 110.043 108.800 0.097 0.000 2.503 231 G HA2 -0.216 3.744 3.960 0.000 0.000 0.221 231 G HA3 -0.216 3.744 3.960 0.000 0.000 0.221 231 G C 1.520 176.458 174.900 0.062 0.000 1.131 231 G CA 1.637 46.791 45.100 0.089 0.000 0.756 231 G HN 0.935 nan 8.290 nan 0.000 0.572 232 E N 0.968 121.189 120.200 0.035 0.000 2.338 232 E HA -0.112 4.238 4.350 0.000 0.000 0.197 232 E C 1.173 177.796 176.600 0.037 0.000 1.007 232 E CA 0.248 56.667 56.400 0.031 0.000 0.849 232 E CB -0.267 29.435 29.700 0.002 0.000 0.774 232 E HN 0.341 nan 8.360 nan 0.000 0.506 233 R N 1.632 122.153 120.500 0.035 0.000 4.556 233 R HA 0.107 4.447 4.340 0.000 0.000 0.197 233 R C 0.962 177.282 176.300 0.033 0.000 1.791 233 R CA -0.012 56.104 56.100 0.026 0.000 1.526 233 R CB -0.043 30.271 30.300 0.024 0.000 1.410 233 R HN 0.285 nan 8.270 nan 0.000 0.826 234 E N 0.621 120.846 120.200 0.042 0.000 2.118 234 E HA -0.244 4.106 4.350 0.000 0.000 0.195 234 E C 1.359 177.967 176.600 0.013 0.000 0.992 234 E CA 1.134 57.569 56.400 0.057 0.000 0.804 234 E CB -0.030 29.724 29.700 0.091 0.000 0.741 234 E HN 0.471 nan 8.360 nan 0.000 0.458 235 L N 0.655 121.864 121.223 -0.024 0.000 2.042 235 L HA -0.220 4.120 4.340 0.000 0.000 0.210 235 L C 2.583 179.447 176.870 -0.011 0.000 1.076 235 L CA 1.236 56.055 54.840 -0.036 0.000 0.749 235 L CB -0.209 41.819 42.059 -0.051 0.000 0.893 235 L HN 0.086 nan 8.230 nan 0.000 0.432 236 E N -0.571 119.629 120.200 -0.000 0.000 2.152 236 E HA -0.177 4.173 4.350 0.000 0.000 0.192 236 E C 2.212 178.823 176.600 0.018 0.000 0.983 236 E CA 0.763 57.167 56.400 0.007 0.000 0.818 236 E CB 0.086 29.791 29.700 0.010 0.000 0.758 236 E HN 0.277 nan 8.360 nan 0.000 0.467 237 Q N -0.169 119.648 119.800 0.029 0.000 2.224 237 Q HA -0.075 4.265 4.340 0.000 0.000 0.203 237 Q C 2.187 178.210 176.000 0.039 0.000 0.970 237 Q CA 0.899 56.725 55.803 0.040 0.000 0.865 237 Q CB 0.020 28.794 28.738 0.060 0.000 0.922 237 Q HN 0.455 nan 8.270 nan 0.000 0.445 238 I N -0.020 120.571 120.570 0.034 0.000 2.277 238 I HA -0.181 3.989 4.170 0.000 0.000 0.243 238 I C 2.210 178.340 176.117 0.021 0.000 1.094 238 I CA 0.921 62.240 61.300 0.032 0.000 1.393 238 I CB -0.297 37.715 38.000 0.020 0.000 1.078 238 I HN 0.021 nan 8.210 nan 0.000 0.417 239 A N -0.624 122.203 122.820 0.013 0.000 2.014 239 A HA -0.157 4.163 4.320 0.000 0.000 0.218 239 A C 0.757 178.349 177.584 0.012 0.000 1.163 239 A CA 1.444 53.486 52.037 0.009 0.000 0.652 239 A CB -0.146 18.856 19.000 0.003 0.000 0.808 239 A HN 0.415 nan 8.150 nan 0.000 0.449 240 D N -1.260 119.149 120.400 0.015 0.000 2.472 240 D HA 0.169 4.809 4.640 0.000 0.000 0.248 240 D C -0.284 176.026 176.300 0.017 0.000 1.271 240 D CA -0.458 53.551 54.000 0.015 0.000 0.888 240 D CB 0.019 40.827 40.800 0.013 0.000 1.337 240 D HN 0.229 nan 8.370 nan 0.000 0.526 241 R N 1.305 121.816 120.500 0.018 0.000 2.500 241 R HA 0.305 4.645 4.340 0.000 0.000 0.281 241 R C 0.259 176.563 176.300 0.008 0.000 0.953 241 R CA 0.826 56.936 56.100 0.016 0.000 1.108 241 R CB 0.256 30.565 30.300 0.014 0.000 0.901 241 R HN 0.427 nan 8.270 nan 0.000 0.410 242 G N 0.555 109.358 108.800 0.005 0.000 2.788 242 G HA2 0.117 4.077 3.960 0.000 0.000 0.293 242 G HA3 0.117 4.077 3.960 0.000 0.000 0.293 242 G C 0.382 175.252 174.900 -0.051 0.000 1.305 242 G CA -0.248 44.847 45.100 -0.008 0.000 1.005 242 G HN 0.564 nan 8.290 nan 0.000 0.496 243 T N -0.490 114.005 114.554 -0.098 0.000 2.929 243 T HA -0.038 4.312 4.350 0.000 0.000 0.271 243 T C 2.464 176.977 174.700 -0.312 0.000 1.085 243 T CA 2.395 64.357 62.100 -0.231 0.000 1.125 243 T CB -0.481 68.183 68.868 -0.341 0.000 0.874 243 T HN 0.663 nan 8.240 nan 0.000 0.494 244 A N 0.997 123.728 122.820 -0.149 0.000 1.855 244 A HA 0.255 4.575 4.320 0.000 0.000 0.215 244 A C 2.756 180.327 177.584 -0.022 0.000 1.191 244 A CA 1.856 53.879 52.037 -0.024 0.000 0.613 244 A CB -1.371 17.718 19.000 0.148 0.000 0.829 244 A HN 0.634 nan 8.150 nan 0.000 0.442 245 A N -0.159 122.659 122.820 -0.004 0.000 1.933 245 A HA -0.178 4.142 4.320 0.000 0.000 0.218 245 A C 1.924 179.496 177.584 -0.021 0.000 1.175 245 A CA 1.675 53.722 52.037 0.016 0.000 0.628 245 A CB -0.534 18.484 19.000 0.031 0.000 0.814 245 A HN 0.662 nan 8.150 nan 0.000 0.444 246 E N -0.385 119.772 120.200 -0.071 0.000 2.047 246 E HA -0.177 4.173 4.350 0.000 0.000 0.191 246 E C 2.309 178.816 176.600 -0.156 0.000 0.987 246 E CA 1.131 57.470 56.400 -0.103 0.000 0.799 246 E CB -0.223 29.407 29.700 -0.116 0.000 0.752 246 E HN 0.563 nan 8.360 nan 0.000 0.449 247 R N 0.675 121.058 120.500 -0.195 0.000 2.115 247 R HA -0.060 4.280 4.340 0.000 0.000 0.230 247 R C 2.372 178.598 176.300 -0.123 0.000 1.111 247 R CA 1.008 56.980 56.100 -0.213 0.000 0.976 247 R CB -0.291 29.860 30.300 -0.248 0.000 0.870 247 R HN 0.100 nan 8.270 nan 0.000 0.445 248 A N 1.532 124.326 122.820 -0.043 0.000 1.873 248 A HA -0.077 4.243 4.320 0.000 0.000 0.215 248 A C 2.418 180.073 177.584 0.119 0.000 1.186 248 A CA 1.586 53.654 52.037 0.052 0.000 0.616 248 A CB -0.666 18.389 19.000 0.091 0.000 0.823 248 A HN 0.368 nan 8.150 nan 0.000 0.442 249 A N -0.243 122.607 122.820 0.050 0.000 1.877 249 A HA -0.049 4.271 4.320 0.000 0.000 0.216 249 A C 2.143 179.696 177.584 -0.053 0.000 1.186 249 A CA 1.525 53.592 52.037 0.050 0.000 0.620 249 A CB -0.648 18.358 19.000 0.010 0.000 0.822 249 A HN 0.469 nan 8.150 nan 0.000 0.443 250 L N -1.863 119.213 121.223 -0.244 0.000 2.201 250 L HA -0.125 4.215 4.340 0.000 0.000 0.212 250 L C 2.420 178.878 176.870 -0.688 0.000 1.105 250 L CA 1.216 55.681 54.840 -0.626 0.000 0.775 250 L CB -0.501 40.998 42.059 -0.934 0.000 0.913 250 L HN 0.560 nan 8.230 nan 0.000 0.440 251 F N -0.027 119.623 119.950 -0.499 0.000 2.102 251 F HA -0.236 4.291 4.527 0.000 0.000 0.298 251 F C 1.976 177.506 175.800 -0.450 0.000 1.105 251 F CA 1.598 59.308 58.000 -0.483 0.000 1.239 251 F CB -0.326 38.338 39.000 -0.560 0.000 0.991 251 F HN -0.037 nan 8.300 nan 0.000 0.474 252 W N 0.576 121.882 121.300 0.010 0.000 2.418 252 W HA 0.016 4.676 4.660 0.000 0.000 0.292 252 W C 2.761 179.170 176.519 -0.184 0.000 1.213 252 W CA 1.077 58.367 57.345 -0.092 0.000 1.283 252 W CB -0.453 28.960 29.460 -0.080 0.000 1.119 252 W HN -0.093 nan 8.180 nan 0.000 0.542 253 R N -0.253 120.263 120.500 0.026 0.000 2.081 253 R HA -0.186 4.154 4.340 0.000 0.000 0.235 253 R C 1.825 178.234 176.300 0.181 0.000 1.131 253 R CA 1.972 58.115 56.100 0.072 0.000 0.960 253 R CB -0.718 29.609 30.300 0.045 0.000 0.856 253 R HN 0.110 nan 8.270 nan 0.000 0.436 254 W N 0.401 121.630 121.300 -0.117 0.000 2.519 254 W HA 0.058 4.718 4.660 0.000 0.000 0.266 254 W C 1.992 178.381 176.519 -0.217 0.000 1.253 254 W CA 0.849 58.099 57.345 -0.160 0.000 1.274 254 W CB -0.811 28.527 29.460 -0.203 0.000 1.114 254 W HN 0.131 nan 8.180 nan 0.000 0.596 255 T N 0.424 114.911 114.554 -0.111 0.000 2.852 255 T HA -0.057 4.293 4.350 0.000 0.000 0.256 255 T C 1.616 176.327 174.700 0.018 0.000 1.038 255 T CA 1.583 63.571 62.100 -0.186 0.000 1.141 255 T CB -0.155 68.410 68.868 -0.504 0.000 0.869 255 T HN 0.166 nan 8.240 nan 0.000 0.439 256 M N -0.835 118.830 119.600 0.108 0.000 2.416 256 M HA 0.602 5.082 4.480 0.000 0.000 0.337 256 M C 1.256 177.723 176.300 0.278 0.000 1.074 256 M CA 0.083 55.495 55.300 0.187 0.000 0.968 256 M CB 0.898 33.627 32.600 0.216 0.000 1.472 256 M HN 0.267 nan 8.290 nan 0.000 0.539 257 G N 2.187 111.124 108.800 0.227 0.000 2.234 257 G HA2 -0.295 3.665 3.960 0.000 0.000 0.260 257 G HA3 -0.295 3.665 3.960 0.000 0.000 0.260 257 G C -0.179 174.946 174.900 0.375 0.000 0.987 257 G CA 0.648 45.911 45.100 0.271 0.000 0.625 257 G HN 0.837 nan 8.290 nan 0.000 0.532 258 F N 0.210 120.220 119.950 0.099 0.000 2.711 258 F HA 0.784 5.311 4.527 0.000 0.000 0.313 258 F C -0.746 175.110 175.800 0.092 0.000 1.141 258 F CA -1.355 56.697 58.000 0.086 0.000 0.941 258 F CB 0.733 39.772 39.000 0.066 0.000 1.349 258 F HN 0.390 nan 8.300 nan 0.000 0.464 259 N N 1.049 119.738 118.700 -0.018 0.000 3.243 259 N HA 0.782 5.522 4.740 0.000 0.000 0.280 259 N C -1.773 173.746 175.510 0.015 0.000 1.545 259 N CA -0.664 52.313 53.050 -0.121 0.000 0.854 259 N CB 1.805 40.302 38.487 0.016 0.000 1.612 259 N HN 1.082 nan 8.380 nan 0.000 0.577 260 A N -0.227 122.593 122.820 -0.000 0.000 2.464 260 A HA 0.831 5.151 4.320 0.000 0.000 0.268 260 A C -0.180 177.465 177.584 0.102 0.000 1.244 260 A CA -0.213 51.886 52.037 0.103 0.000 0.871 260 A CB 0.731 19.767 19.000 0.059 0.000 1.400 260 A HN 0.875 nan 8.150 nan 0.000 0.455 261 T N -3.489 111.140 114.554 0.124 0.000 2.940 261 T HA 0.456 4.806 4.350 0.000 0.000 0.288 261 T C 0.825 175.594 174.700 0.115 0.000 1.045 261 T CA -0.154 62.010 62.100 0.106 0.000 1.018 261 T CB 1.012 69.942 68.868 0.103 0.000 1.151 261 T HN 0.457 nan 8.240 nan 0.000 0.529 262 M N 0.440 120.112 119.600 0.120 0.000 2.213 262 M HA 0.029 4.509 4.480 0.000 0.000 0.263 262 M C 2.076 178.520 176.300 0.239 0.000 1.062 262 M CA 1.750 57.151 55.300 0.169 0.000 1.105 262 M CB -0.872 31.812 32.600 0.139 0.000 1.385 262 M HN 0.914 nan 8.290 nan 0.000 0.417 263 E N -1.492 118.811 120.200 0.172 0.000 2.060 263 E HA -0.042 4.308 4.350 0.000 0.000 0.189 263 E C 1.996 178.712 176.600 0.192 0.000 0.974 263 E CA 0.968 57.473 56.400 0.176 0.000 0.808 263 E CB -0.552 29.201 29.700 0.088 0.000 0.768 263 E HN 0.537 nan 8.360 nan 0.000 0.453 264 G N 1.589 110.478 108.800 0.150 0.000 2.450 264 G HA2 -0.279 3.682 3.960 0.000 0.000 0.220 264 G HA3 -0.279 3.682 3.960 0.000 0.000 0.220 264 G C 1.537 176.564 174.900 0.212 0.000 1.130 264 G CA 0.890 46.084 45.100 0.156 0.000 0.760 264 G HN 0.368 nan 8.290 nan 0.000 0.557 265 I N 0.550 121.195 120.570 0.125 0.000 2.361 265 I HA -0.119 4.051 4.170 0.000 0.000 0.251 265 I C 2.237 178.221 176.117 -0.222 0.000 1.133 265 I CA 1.150 62.422 61.300 -0.047 0.000 1.413 265 I CB -0.350 37.450 38.000 -0.334 0.000 1.073 265 I HN 0.292 nan 8.210 nan 0.000 0.424 266 H N -0.561 118.477 119.070 -0.053 0.000 2.529 266 H HA 0.123 4.679 4.556 0.000 0.000 0.277 266 H C 2.164 177.490 175.328 -0.003 0.000 0.999 266 H CA 0.743 56.736 56.048 -0.090 0.000 1.256 266 H CB -0.028 29.682 29.762 -0.087 0.000 1.402 266 H HN 0.279 nan 8.280 nan 0.000 0.566 267 R N -0.811 119.774 120.500 0.143 0.000 2.100 267 R HA -0.073 4.267 4.340 0.000 0.000 0.220 267 R C 1.306 177.736 176.300 0.217 0.000 1.091 267 R CA 0.918 57.116 56.100 0.164 0.000 0.986 267 R CB -0.114 30.244 30.300 0.097 0.000 0.888 267 R HN 0.373 nan 8.270 nan 0.000 0.444 268 W N 0.970 122.317 121.300 0.077 0.000 2.381 268 W HA -0.087 4.573 4.660 0.000 0.000 0.301 268 W C 2.487 179.027 176.519 0.035 0.000 1.205 268 W CA 1.201 58.586 57.345 0.066 0.000 1.285 268 W CB -0.238 29.205 29.460 -0.028 0.000 1.133 268 W HN 0.154 nan 8.180 nan 0.000 0.521 269 A N 0.261 123.170 122.820 0.148 0.000 1.858 269 A HA -0.221 4.099 4.320 0.000 0.000 0.216 269 A C 1.930 179.513 177.584 -0.003 0.000 1.190 269 A CA 1.742 53.764 52.037 -0.024 0.000 0.617 269 A CB -1.112 17.749 19.000 -0.231 0.000 0.827 269 A HN 0.323 nan 8.150 nan 0.000 0.443 270 I N -2.014 118.547 120.570 -0.014 0.000 2.264 270 I HA -0.287 3.883 4.170 0.000 0.000 0.248 270 I C 2.297 178.312 176.117 -0.169 0.000 1.111 270 I CA 1.576 62.811 61.300 -0.108 0.000 1.382 270 I CB -0.116 37.790 38.000 -0.157 0.000 1.060 270 I HN 0.622 nan 8.210 nan 0.000 0.418 271 W N -0.178 121.119 121.300 -0.006 0.000 2.418 271 W HA -0.196 4.464 4.660 0.000 0.000 0.292 271 W C 2.441 178.910 176.519 -0.084 0.000 1.213 271 W CA 0.800 58.112 57.345 -0.055 0.000 1.283 271 W CB -0.355 29.057 29.460 -0.080 0.000 1.119 271 W HN 0.144 nan 8.180 nan 0.000 0.542 272 M N 1.025 120.758 119.600 0.221 0.000 2.080 272 M HA -0.152 4.328 4.480 0.000 0.000 0.260 272 M C 2.071 178.437 176.300 0.110 0.000 1.068 272 M CA 2.459 57.879 55.300 0.200 0.000 1.109 272 M CB -0.855 31.891 32.600 0.243 0.000 1.342 272 M HN -0.041 nan 8.290 nan 0.000 0.405 273 A N -1.255 121.606 122.820 0.068 0.000 1.854 273 A HA -0.048 4.272 4.320 0.000 0.000 0.214 273 A C 2.192 179.791 177.584 0.025 0.000 1.192 273 A CA 1.687 53.761 52.037 0.062 0.000 0.611 273 A CB -1.243 17.780 19.000 0.038 0.000 0.832 273 A HN 0.350 nan 8.150 nan 0.000 0.442 274 V N 0.326 120.218 119.914 -0.038 0.000 2.392 274 V HA -0.259 3.861 4.120 0.000 0.000 0.249 274 V C 2.483 178.550 176.094 -0.046 0.000 1.059 274 V CA 1.984 64.246 62.300 -0.063 0.000 1.051 274 V CB -0.649 31.038 31.823 -0.227 0.000 0.658 274 V HN 0.569 nan 8.190 nan 0.000 0.455 275 L N -0.857 120.281 121.223 -0.142 0.000 2.362 275 L HA -0.109 4.231 4.340 0.000 0.000 0.219 275 L C 2.302 179.090 176.870 -0.135 0.000 1.134 275 L CA 0.477 55.129 54.840 -0.312 0.000 0.807 275 L CB -0.502 40.915 42.059 -1.070 0.000 0.927 275 L HN 0.213 nan 8.230 nan 0.000 0.447 276 V N 0.031 119.958 119.914 0.021 0.000 2.255 276 V HA -0.313 3.807 4.120 0.000 0.000 0.247 276 V C 2.612 178.812 176.094 0.176 0.000 1.051 276 V CA 2.616 65.024 62.300 0.180 0.000 1.018 276 V CB -0.943 30.980 31.823 0.167 0.000 0.641 276 V HN 0.669 nan 8.190 nan 0.000 0.445 277 T N -2.529 112.125 114.554 0.165 0.000 3.067 277 T HA 0.023 4.373 4.350 0.000 0.000 0.257 277 T C 1.772 176.672 174.700 0.334 0.000 1.105 277 T CA 0.529 62.757 62.100 0.213 0.000 1.104 277 T CB -0.076 68.918 68.868 0.209 0.000 0.925 277 T HN 0.185 nan 8.240 nan 0.000 0.498 278 L N 2.807 124.189 121.223 0.266 0.000 2.005 278 L HA 0.012 4.352 4.340 0.000 0.000 0.207 278 L C 2.992 180.058 176.870 0.328 0.000 1.072 278 L CA 2.384 57.382 54.840 0.264 0.000 0.744 278 L CB -1.196 40.911 42.059 0.080 0.000 0.895 278 L HN 0.557 nan 8.230 nan 0.000 0.433 279 T N -4.022 110.701 114.554 0.282 0.000 2.821 279 T HA -0.071 4.279 4.350 0.000 0.000 0.267 279 T C 1.975 176.853 174.700 0.296 0.000 1.046 279 T CA 0.867 63.191 62.100 0.374 0.000 1.139 279 T CB -1.299 67.866 68.868 0.495 0.000 0.871 279 T HN 0.336 nan 8.240 nan 0.000 0.454 280 G N 1.420 110.365 108.800 0.242 0.000 2.446 280 G HA2 0.028 3.988 3.960 0.000 0.000 0.217 280 G HA3 0.028 3.988 3.960 0.000 0.000 0.217 280 G C 1.739 176.683 174.900 0.073 0.000 1.168 280 G CA 0.734 45.925 45.100 0.152 0.000 0.771 280 G HN 0.666 nan 8.290 nan 0.000 0.551 281 G N 0.960 109.809 108.800 0.082 0.000 2.418 281 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 281 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 281 G C 1.789 176.618 174.900 -0.119 0.000 1.158 281 G CA 0.836 45.787 45.100 -0.247 0.000 0.771 281 G HN 0.448 nan 8.290 nan 0.000 0.545 282 I N 1.262 121.912 120.570 0.133 0.000 2.226 282 I HA -0.110 4.060 4.170 0.000 0.000 0.245 282 I C 3.095 179.070 176.117 -0.236 0.000 1.100 282 I CA 1.049 62.286 61.300 -0.104 0.000 1.374 282 I CB -0.483 37.200 38.000 -0.529 0.000 1.057 282 I HN 0.251 nan 8.210 nan 0.000 0.413 283 G N 1.293 109.999 108.800 -0.157 0.000 2.440 283 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 283 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 283 G C 1.570 176.497 174.900 0.044 0.000 1.154 283 G CA 0.552 45.642 45.100 -0.017 0.000 0.767 283 G HN 0.197 nan 8.290 nan 0.000 0.552 284 I N 0.379 120.951 120.570 0.004 0.000 2.286 284 I HA -0.000 4.170 4.170 0.000 0.000 0.245 284 I C 2.586 178.751 176.117 0.080 0.000 1.104 284 I CA 0.521 61.839 61.300 0.031 0.000 1.397 284 I CB -1.050 36.879 38.000 -0.118 0.000 1.072 284 I HN 0.150 nan 8.210 nan 0.000 0.417 285 L N 0.882 122.094 121.223 -0.019 0.000 2.127 285 L HA -0.130 4.210 4.340 0.000 0.000 0.211 285 L C 2.210 179.121 176.870 0.068 0.000 1.089 285 L CA 1.738 56.572 54.840 -0.009 0.000 0.757 285 L CB -0.493 41.527 42.059 -0.065 0.000 0.899 285 L HN 0.125 nan 8.230 nan 0.000 0.434 286 L N -1.201 120.090 121.223 0.113 0.000 2.395 286 L HA 0.026 4.366 4.340 0.000 0.000 0.218 286 L C 0.828 177.806 176.870 0.179 0.000 1.130 286 L CA -0.068 54.865 54.840 0.155 0.000 0.826 286 L CB -0.378 41.827 42.059 0.243 0.000 0.941 286 L HN 0.064 nan 8.230 nan 0.000 0.451 287 S N 0.310 116.169 115.700 0.265 0.000 2.455 287 S HA 0.411 4.881 4.470 0.000 0.000 0.278 287 S C 1.094 175.735 174.600 0.068 0.000 1.216 287 S CA 0.343 58.648 58.200 0.176 0.000 1.055 287 S CB 1.015 64.299 63.200 0.141 0.000 0.939 287 S HN 0.538 nan 8.310 nan 0.000 0.494 288 G N 3.005 111.879 108.800 0.124 0.000 2.268 288 G HA2 -0.349 3.611 3.960 0.000 0.000 0.240 288 G HA3 -0.349 3.611 3.960 0.000 0.000 0.240 288 G C 0.987 175.905 174.900 0.029 0.000 1.010 288 G CA 0.772 45.951 45.100 0.132 0.000 0.618 288 G HN 0.829 nan 8.290 nan 0.000 0.516 289 T N -2.681 111.887 114.554 0.023 0.000 3.021 289 T HA 0.440 4.790 4.350 0.000 0.000 0.245 289 T C 2.041 176.731 174.700 -0.016 0.000 1.028 289 T CA 1.852 63.956 62.100 0.006 0.000 1.139 289 T CB 0.280 69.162 68.868 0.024 0.000 0.884 289 T HN 0.614 nan 8.240 nan 0.000 0.457 290 V N 0.335 120.228 119.914 -0.036 0.000 3.359 290 V HA 0.396 4.516 4.120 0.000 0.000 0.245 290 V C 0.243 176.253 176.094 -0.141 0.000 1.247 290 V CA -0.049 62.218 62.300 -0.055 0.000 1.145 290 V CB 1.181 32.992 31.823 -0.021 0.000 0.906 290 V HN 0.327 nan 8.190 nan 0.000 0.464 291 V N 0.896 120.642 119.914 -0.279 0.000 2.407 291 V HA 0.394 4.514 4.120 0.000 0.000 0.291 291 V C 0.355 176.192 176.094 -0.429 0.000 1.018 291 V CA -0.385 61.601 62.300 -0.523 0.000 0.842 291 V CB 1.672 32.691 31.823 -1.341 0.000 0.996 291 V HN 0.283 nan 8.190 nan 0.000 0.426 292 D N 2.551 122.776 120.400 -0.291 0.000 2.240 292 D HA 0.016 4.656 4.640 0.000 0.000 0.206 292 D C 0.459 176.623 176.300 -0.225 0.000 0.963 292 D CA 0.867 54.737 54.000 -0.217 0.000 0.863 292 D CB 0.561 41.261 40.800 -0.168 0.000 0.973 292 D HN 0.509 nan 8.370 nan 0.000 0.501 293 N N -0.409 118.154 118.700 -0.228 0.000 2.533 293 N HA 0.005 4.745 4.740 0.000 0.000 0.289 293 N C -0.141 175.351 175.510 -0.031 0.000 1.103 293 N CA -0.427 52.578 53.050 -0.076 0.000 0.877 293 N CB 0.607 39.096 38.487 0.004 0.000 1.419 293 N HN -0.094 nan 8.380 nan 0.000 0.517 294 W N 2.048 123.476 121.300 0.213 0.000 2.425 294 W HA -0.098 4.562 4.660 0.000 0.000 0.277 294 W C 1.767 178.465 176.519 0.298 0.000 1.231 294 W CA 0.389 57.906 57.345 0.287 0.000 1.248 294 W CB -0.239 29.386 29.460 0.275 0.000 1.117 294 W HN 0.669 nan 8.180 nan 0.000 0.568 295 Y N 0.708 121.142 120.300 0.223 0.000 2.114 295 Y HA -0.266 4.284 4.550 0.000 0.000 0.284 295 Y C 2.220 178.068 175.900 -0.086 0.000 1.143 295 Y CA 1.961 59.922 58.100 -0.232 0.000 1.135 295 Y CB -0.953 37.357 38.460 -0.250 0.000 0.980 295 Y HN -0.211 nan 8.280 nan 0.000 0.499 296 V N -0.385 119.458 119.914 -0.118 0.000 2.287 296 V HA -0.321 3.799 4.120 0.000 0.000 0.248 296 V C 2.146 178.164 176.094 -0.127 0.000 1.053 296 V CA 2.100 64.277 62.300 -0.206 0.000 1.027 296 V CB -1.183 30.613 31.823 -0.045 0.000 0.646 296 V HN 0.725 nan 8.190 nan 0.000 0.447 297 W N 1.353 122.572 121.300 -0.135 0.000 2.318 297 W HA -0.166 4.494 4.660 0.000 0.000 0.313 297 W C 2.342 178.860 176.519 -0.002 0.000 1.221 297 W CA 2.112 59.416 57.345 -0.068 0.000 1.266 297 W CB -0.767 28.655 29.460 -0.063 0.000 1.150 297 W HN 0.254 nan 8.180 nan 0.000 0.496 298 G N -0.364 108.554 108.800 0.196 0.000 2.450 298 G HA2 -0.292 3.668 3.960 0.000 0.000 0.220 298 G HA3 -0.292 3.668 3.960 0.000 0.000 0.220 298 G C 1.404 176.183 174.900 -0.202 0.000 1.130 298 G CA 0.964 46.090 45.100 0.044 0.000 0.760 298 G HN 0.283 nan 8.290 nan 0.000 0.557 299 Q N 0.358 119.964 119.800 -0.324 0.000 2.226 299 Q HA -0.042 4.298 4.340 0.000 0.000 0.204 299 Q C 1.407 177.257 176.000 -0.250 0.000 0.975 299 Q CA 0.923 56.538 55.803 -0.313 0.000 0.866 299 Q CB -0.243 28.256 28.738 -0.399 0.000 0.915 299 Q HN 0.669 nan 8.270 nan 0.000 0.440 300 N N -0.017 118.500 118.700 -0.305 0.000 2.251 300 N HA 0.007 4.747 4.740 0.000 0.000 0.217 300 N C -0.028 175.290 175.510 -0.320 0.000 1.124 300 N CA -0.087 52.793 53.050 -0.284 0.000 0.843 300 N CB 0.520 38.845 38.487 -0.270 0.000 1.024 300 N HN 0.126 nan 8.380 nan 0.000 0.501 301 H N 0.000 118.775 119.070 -0.492 0.000 2.539 301 H HA 0.000 4.556 4.556 0.000 0.000 0.296 301 H CA 0.000 55.764 56.048 -0.474 0.000 1.023 301 H CB 0.000 29.206 29.762 -0.927 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496