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 3d4j_1_B DATA FIRST_RESID 9 DATA SEQUENCE AVTCTAPVNI AVIKYWGKRD EELVLPINSS LSVTLHQDQL KTTTTAVISK DATA SEQUENCE DFTEDRIWLN GREEDVGQPR LQACLREIRC LAXXXXXXXX XXXXXXXXXC DATA SEQUENCE KVHVASVNNF PTXXXLASSA AGYACLAYTL ARVYGVESDL SEVARRGSGS DATA SEQUENCE ACRSLYGGFV EWQMGEQADG KDSIARQVAP ESHWPELRVL ILVVSAEKKL DATA SEQUENCE TGSTVGMRAS VETSPLLRFR AESVVPARMA EMARCIRERD FPSFAQLTMK DATA SEQUENCE DSNQFHATCL DTFPPISYLN AISWRIIHLV HRFNAHHGDT KVAYTFDAGP DATA SEQUENCE NAVIFTLDDT VAEFVAAVWH GFPPGSNGDT FLKGLQVRPA PLSAELQAAL DATA SEQUENCE AMEPTPGGVK YIIVTQVGPG PQILDDPCAH LLGPDGLP 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.435 177.584 -0.248 0.000 1.274 9 A CA 0.000 51.816 52.037 -0.368 0.000 0.836 9 A CB 0.000 18.845 19.000 -0.259 0.000 0.831 10 V N 0.503 120.326 119.914 -0.150 0.000 2.686 10 V HA 0.766 4.883 4.120 -0.005 0.000 0.306 10 V C -0.165 175.987 176.094 0.095 0.000 1.065 10 V CA -0.359 61.958 62.300 0.029 0.000 0.894 10 V CB 2.087 33.897 31.823 -0.021 0.000 1.004 10 V HN 0.508 nan 8.190 nan 0.000 0.424 11 T N 3.261 117.925 114.554 0.183 0.000 2.841 11 T HA 0.664 5.011 4.350 -0.005 0.000 0.283 11 T C -0.673 174.079 174.700 0.087 0.000 1.000 11 T CA -0.281 61.901 62.100 0.137 0.000 0.977 11 T CB 1.365 70.325 68.868 0.154 0.000 0.979 11 T HN 0.784 nan 8.240 nan 0.000 0.446 12 C N 1.807 121.150 119.300 0.072 0.000 3.171 12 C HA 0.930 5.388 4.460 -0.005 0.000 0.308 12 C C 0.172 175.170 174.990 0.014 0.000 1.334 12 C CA -0.945 58.118 59.018 0.075 0.000 1.473 12 C CB 1.921 29.775 27.740 0.190 0.000 1.866 12 C HN 1.039 nan 8.230 nan 0.000 0.465 13 T N -0.690 113.846 114.554 -0.030 0.000 2.893 13 T HA 0.877 5.224 4.350 -0.005 0.000 0.291 13 T C -0.772 173.863 174.700 -0.108 0.000 1.028 13 T CA -0.358 61.708 62.100 -0.057 0.000 0.995 13 T CB 1.835 70.671 68.868 -0.053 0.000 1.051 13 T HN 1.402 nan 8.240 nan 0.000 0.470 14 A N 2.939 125.714 122.820 -0.075 0.000 2.498 14 A HA 0.979 5.296 4.320 -0.005 0.000 0.298 14 A C -3.016 174.560 177.584 -0.013 0.000 1.075 14 A CA -1.970 50.010 52.037 -0.094 0.000 0.714 14 A CB 1.766 20.721 19.000 -0.075 0.000 1.299 14 A HN 0.727 nan 8.150 nan 0.000 0.407 15 P HA 0.555 nan 4.420 nan 0.000 0.285 15 P C -0.283 177.016 177.300 -0.002 0.000 1.280 15 P CA -0.374 62.727 63.100 0.002 0.000 0.862 15 P CB 1.656 33.316 31.700 -0.066 0.000 1.153 16 V N -1.192 118.698 119.914 -0.040 0.000 3.262 16 V HA 0.663 4.780 4.120 -0.005 0.000 0.313 16 V C 0.014 176.056 176.094 -0.086 0.000 1.070 16 V CA -0.716 61.514 62.300 -0.117 0.000 1.049 16 V CB 1.042 32.675 31.823 -0.317 0.000 1.157 16 V HN 0.860 nan 8.190 nan 0.000 0.454 17 N N 0.194 118.853 118.700 -0.068 0.000 2.494 17 N HA 0.455 5.193 4.740 -0.005 0.000 0.270 17 N C -1.833 173.679 175.510 0.004 0.000 1.285 17 N CA -0.783 52.253 53.050 -0.023 0.000 0.812 17 N CB 2.561 41.048 38.487 0.001 0.000 1.557 17 N HN 0.574 nan 8.380 nan 0.000 0.487 18 I N 0.877 121.485 120.570 0.063 0.000 2.382 18 I HA 0.344 4.512 4.170 -0.005 0.000 0.286 18 I C 0.490 176.699 176.117 0.153 0.000 1.002 18 I CA -0.818 60.546 61.300 0.106 0.000 1.135 18 I CB 0.685 38.784 38.000 0.165 0.000 1.288 18 I HN 0.707 nan 8.210 nan 0.000 0.448 19 A N 5.667 128.553 122.820 0.110 0.000 2.450 19 A HA 0.431 4.748 4.320 -0.005 0.000 0.255 19 A C 1.077 178.700 177.584 0.065 0.000 1.096 19 A CA -0.236 51.862 52.037 0.102 0.000 0.778 19 A CB 0.544 19.602 19.000 0.096 0.000 1.031 19 A HN 0.720 nan 8.150 nan 0.000 0.494 20 V N 0.906 120.837 119.914 0.027 0.000 3.431 20 V HA 0.302 4.419 4.120 -0.005 0.000 0.253 20 V C 0.402 176.447 176.094 -0.081 0.000 1.184 20 V CA 0.301 62.540 62.300 -0.101 0.000 1.104 20 V CB -0.306 31.368 31.823 -0.249 0.000 0.799 20 V HN 0.600 nan 8.190 nan 0.000 0.462 21 I N 2.642 123.203 120.570 -0.014 0.000 2.390 21 I HA 0.499 4.666 4.170 -0.005 0.000 0.283 21 I C -0.246 175.883 176.117 0.020 0.000 1.016 21 I CA -0.931 60.365 61.300 -0.007 0.000 1.151 21 I CB 1.395 39.397 38.000 0.003 0.000 1.293 21 I HN 0.187 nan 8.210 nan 0.000 0.458 22 K N 5.282 125.677 120.400 -0.008 0.000 2.436 22 K HA 0.028 4.345 4.320 -0.005 0.000 0.275 22 K C -0.434 176.191 176.600 0.041 0.000 0.999 22 K CA -0.207 56.046 56.287 -0.056 0.000 0.980 22 K CB 0.674 33.018 32.500 -0.260 0.000 0.919 22 K HN 0.420 nan 8.250 nan 0.000 0.484 23 Y N 2.917 123.190 120.300 -0.045 0.000 2.367 23 Y HA 0.344 4.891 4.550 -0.004 0.000 0.342 23 Y C -1.184 174.784 175.900 0.112 0.000 0.979 23 Y CA -1.204 56.903 58.100 0.011 0.000 1.161 23 Y CB 0.790 39.320 38.460 0.117 0.000 1.155 23 Y HN 0.593 nan 8.280 nan 0.000 0.503 24 W N 7.785 128.843 121.300 -0.404 0.000 3.097 24 W HA 0.481 5.138 4.660 -0.005 0.000 0.325 24 W C -1.076 175.302 176.519 -0.235 0.000 1.056 24 W CA -0.408 56.661 57.345 -0.461 0.000 1.254 24 W CB 1.399 30.721 29.460 -0.230 0.000 1.202 24 W HN 1.118 nan 8.180 nan 0.000 0.400 25 G N 3.639 112.063 108.800 -0.626 0.000 3.069 25 G HA2 -0.116 3.841 3.960 -0.005 0.000 0.686 25 G HA3 -0.116 3.841 3.960 -0.005 0.000 0.686 25 G C -1.477 173.346 174.900 -0.128 0.000 1.161 25 G CA -1.009 43.865 45.100 -0.376 0.000 0.804 25 G HN 0.376 nan 8.290 nan 0.000 0.608 26 K N 0.556 120.902 120.400 -0.090 0.000 2.139 26 K HA 0.648 4.966 4.320 -0.005 0.000 0.243 26 K C 1.375 177.967 176.600 -0.014 0.000 0.983 26 K CA -0.623 55.670 56.287 0.009 0.000 0.890 26 K CB 1.550 34.070 32.500 0.033 0.000 1.090 26 K HN 0.682 nan 8.250 nan 0.000 0.445 27 R N -0.091 120.408 120.500 -0.002 0.000 2.446 27 R HA 0.169 4.506 4.340 -0.005 0.000 0.254 27 R C -0.544 175.757 176.300 0.002 0.000 0.918 27 R CA 0.049 56.144 56.100 -0.008 0.000 1.069 27 R CB 0.652 30.942 30.300 -0.017 0.000 1.194 27 R HN 0.436 nan 8.270 nan 0.000 0.534 28 D N 0.864 121.272 120.400 0.013 0.000 2.452 28 D HA 0.065 4.702 4.640 -0.005 0.000 0.226 28 D C 0.059 176.374 176.300 0.025 0.000 1.366 28 D CA -0.184 53.826 54.000 0.017 0.000 0.986 28 D CB 1.672 42.484 40.800 0.021 0.000 1.420 28 D HN -0.062 nan 8.370 nan 0.000 0.583 29 E N 2.033 122.241 120.200 0.014 0.000 2.106 29 E HA -0.170 4.177 4.350 -0.005 0.000 0.192 29 E C 1.257 177.865 176.600 0.014 0.000 0.984 29 E CA 0.948 57.356 56.400 0.014 0.000 0.806 29 E CB 0.363 30.064 29.700 0.002 0.000 0.750 29 E HN 0.602 nan 8.360 nan 0.000 0.458 30 E N 0.680 120.887 120.200 0.010 0.000 2.072 30 E HA -0.057 4.291 4.350 -0.005 0.000 0.190 30 E C 1.898 178.502 176.600 0.007 0.000 0.982 30 E CA 0.676 57.080 56.400 0.006 0.000 0.803 30 E CB 0.025 29.727 29.700 0.004 0.000 0.755 30 E HN 0.145 nan 8.360 nan 0.000 0.453 31 L N -0.240 120.993 121.223 0.017 0.000 2.592 31 L HA 0.139 4.477 4.340 -0.005 0.000 0.227 31 L C 0.067 176.961 176.870 0.041 0.000 1.127 31 L CA -0.223 54.630 54.840 0.022 0.000 0.884 31 L CB 0.501 42.576 42.059 0.027 0.000 1.065 31 L HN -0.094 nan 8.230 nan 0.000 0.457 32 V N 1.178 121.126 119.914 0.056 0.000 6.078 32 V HA -0.251 3.866 4.120 -0.005 0.000 0.301 32 V C -0.152 176.055 176.094 0.189 0.000 0.571 32 V CA 0.601 62.965 62.300 0.107 0.000 0.625 32 V CB -2.185 29.673 31.823 0.058 0.000 0.271 32 V HN 0.253 nan 8.190 nan 0.000 0.788 33 L N 3.928 125.232 121.223 0.135 0.000 2.313 33 L HA 0.621 4.958 4.340 -0.005 0.000 0.283 33 L C -1.621 175.265 176.870 0.027 0.000 1.013 33 L CA -1.779 53.124 54.840 0.105 0.000 0.816 33 L CB 2.421 44.511 42.059 0.052 0.000 1.236 33 L HN 0.153 nan 8.230 nan 0.000 0.419 34 P HA 0.152 nan 4.420 nan 0.000 0.276 34 P C 0.500 177.713 177.300 -0.145 0.000 1.252 34 P CA -0.360 62.616 63.100 -0.206 0.000 0.802 34 P CB 1.347 32.597 31.700 -0.750 0.000 1.035 35 I N -1.996 118.523 120.570 -0.086 0.000 3.793 35 I HA 0.196 4.363 4.170 -0.005 0.000 0.315 35 I C -0.171 175.894 176.117 -0.087 0.000 1.275 35 I CA -0.159 61.101 61.300 -0.067 0.000 1.214 35 I CB -0.675 37.306 38.000 -0.033 0.000 1.018 35 I HN 0.299 nan 8.210 nan 0.000 0.439 36 N N -0.815 117.805 118.700 -0.133 0.000 2.859 36 N HA 0.337 5.074 4.740 -0.005 0.000 0.250 36 N C -1.050 174.316 175.510 -0.240 0.000 1.341 36 N CA -0.719 52.248 53.050 -0.139 0.000 0.881 36 N CB 1.262 39.706 38.487 -0.071 0.000 1.516 36 N HN -0.076 nan 8.380 nan 0.000 0.503 37 S N -0.110 115.470 115.700 -0.199 0.000 2.634 37 S HA 0.755 5.222 4.470 -0.005 0.000 0.261 37 S C -0.349 174.176 174.600 -0.126 0.000 1.271 37 S CA -0.384 57.680 58.200 -0.226 0.000 0.985 37 S CB 0.300 63.430 63.200 -0.116 0.000 0.968 37 S HN 0.859 nan 8.310 nan 0.000 0.568 38 S N 0.011 115.684 115.700 -0.046 0.000 2.570 38 S HA 0.724 5.192 4.470 -0.005 0.000 0.270 38 S C -1.352 173.325 174.600 0.127 0.000 1.149 38 S CA -0.887 57.353 58.200 0.067 0.000 0.837 38 S CB 0.983 64.272 63.200 0.149 0.000 1.124 38 S HN 0.592 nan 8.310 nan 0.000 0.465 39 L N 2.052 123.347 121.223 0.120 0.000 2.408 39 L HA 0.821 5.158 4.340 -0.005 0.000 0.268 39 L C -0.524 176.438 176.870 0.153 0.000 0.986 39 L CA -0.161 54.766 54.840 0.145 0.000 0.820 39 L CB 2.159 44.293 42.059 0.125 0.000 1.303 39 L HN 1.176 nan 8.230 nan 0.000 0.411 40 S N 2.636 118.444 115.700 0.181 0.000 2.732 40 S HA 0.803 5.270 4.470 -0.005 0.000 0.293 40 S C -1.188 173.522 174.600 0.183 0.000 1.159 40 S CA -0.777 57.525 58.200 0.170 0.000 0.847 40 S CB 2.127 65.408 63.200 0.135 0.000 1.169 40 S HN 0.269 nan 8.310 nan 0.000 0.501 41 V N 1.558 121.566 119.914 0.158 0.000 2.487 41 V HA 0.492 4.609 4.120 -0.005 0.000 0.298 41 V C -0.273 175.809 176.094 -0.021 0.000 1.028 41 V CA -0.593 61.727 62.300 0.033 0.000 0.860 41 V CB 1.710 33.656 31.823 0.204 0.000 0.991 41 V HN 1.028 nan 8.190 nan 0.000 0.427 42 T N 6.692 121.173 114.554 -0.122 0.000 2.752 42 T HA 0.456 4.803 4.350 -0.005 0.000 0.295 42 T C 0.029 174.670 174.700 -0.099 0.000 0.923 42 T CA -0.097 61.947 62.100 -0.094 0.000 1.112 42 T CB 0.038 68.847 68.868 -0.100 0.000 0.884 42 T HN 0.335 nan 8.240 nan 0.000 0.525 43 L N 3.129 124.310 121.223 -0.070 0.000 2.395 43 L HA 0.290 4.627 4.340 -0.005 0.000 0.269 43 L C 1.194 178.051 176.870 -0.022 0.000 1.133 43 L CA -1.006 53.805 54.840 -0.049 0.000 0.812 43 L CB 0.390 42.410 42.059 -0.064 0.000 1.125 43 L HN 0.591 nan 8.230 nan 0.000 0.452 44 H N 2.259 121.297 119.070 -0.054 0.000 2.964 44 H HA -0.018 4.535 4.556 -0.005 0.000 0.328 44 H C 0.473 175.792 175.328 -0.015 0.000 1.030 44 H CA 0.614 56.641 56.048 -0.034 0.000 1.445 44 H CB 1.091 30.833 29.762 -0.033 0.000 1.449 44 H HN 0.623 nan 8.280 nan 0.000 0.581 45 Q N 2.625 122.441 119.800 0.027 0.000 2.437 45 Q HA -0.106 4.232 4.340 -0.005 0.000 0.210 45 Q C 0.921 177.029 176.000 0.181 0.000 0.972 45 Q CA 0.666 56.519 55.803 0.084 0.000 0.903 45 Q CB 0.383 29.107 28.738 -0.024 0.000 0.967 45 Q HN 0.620 nan 8.270 nan 0.000 0.486 46 D N -0.014 120.617 120.400 0.385 0.000 2.219 46 D HA -0.122 4.516 4.640 -0.005 0.000 0.205 46 D C 1.388 177.728 176.300 0.067 0.000 0.970 46 D CA 1.076 55.167 54.000 0.152 0.000 0.851 46 D CB 0.360 41.142 40.800 -0.029 0.000 0.943 46 D HN 0.219 nan 8.370 nan 0.000 0.488 47 Q N -0.710 119.142 119.800 0.087 0.000 2.388 47 Q HA 0.323 4.660 4.340 -0.005 0.000 0.204 47 Q C 0.275 176.335 176.000 0.100 0.000 0.946 47 Q CA 0.472 56.308 55.803 0.055 0.000 0.880 47 Q CB 0.863 29.617 28.738 0.028 0.000 0.997 47 Q HN 0.118 nan 8.270 nan 0.000 0.552 48 L N 1.600 122.909 121.223 0.143 0.000 2.381 48 L HA 0.574 4.911 4.340 -0.005 0.000 0.274 48 L C -0.984 176.091 176.870 0.342 0.000 0.988 48 L CA -0.760 54.259 54.840 0.298 0.000 0.824 48 L CB 1.894 44.072 42.059 0.197 0.000 1.263 48 L HN 0.069 nan 8.230 nan 0.000 0.410 49 K N 0.910 121.533 120.400 0.371 0.000 2.587 49 K HA 0.621 4.939 4.320 -0.005 0.000 0.276 49 K C -1.498 175.006 176.600 -0.160 0.000 0.956 49 K CA -0.749 55.639 56.287 0.169 0.000 0.857 49 K CB 2.108 34.634 32.500 0.043 0.000 1.431 49 K HN 0.252 nan 8.250 nan 0.000 0.420 50 T N 1.717 116.230 114.554 -0.068 0.000 2.824 50 T HA 0.418 4.765 4.350 -0.005 0.000 0.280 50 T C -0.907 173.727 174.700 -0.110 0.000 0.995 50 T CA -0.420 61.567 62.100 -0.187 0.000 1.009 50 T CB 1.520 70.366 68.868 -0.036 0.000 0.955 50 T HN 0.541 nan 8.240 nan 0.000 0.452 51 T N 3.184 117.663 114.554 -0.124 0.000 2.797 51 T HA 0.613 4.961 4.350 -0.005 0.000 0.279 51 T C -0.324 174.345 174.700 -0.052 0.000 0.991 51 T CA -0.603 61.453 62.100 -0.073 0.000 0.979 51 T CB 1.243 70.066 68.868 -0.076 0.000 0.943 51 T HN 0.522 nan 8.240 nan 0.000 0.444 52 T N 2.645 117.187 114.554 -0.020 0.000 2.928 52 T HA 0.503 4.850 4.350 -0.005 0.000 0.296 52 T C -0.448 174.264 174.700 0.019 0.000 1.000 52 T CA -0.581 61.515 62.100 -0.006 0.000 0.989 52 T CB 1.563 70.426 68.868 -0.009 0.000 1.005 52 T HN 0.475 nan 8.240 nan 0.000 0.442 53 T N 2.838 117.403 114.554 0.020 0.000 2.786 53 T HA 0.714 5.061 4.350 -0.005 0.000 0.283 53 T C -0.409 174.291 174.700 0.001 0.000 0.992 53 T CA -0.515 61.601 62.100 0.027 0.000 0.954 53 T CB 1.110 70.001 68.868 0.038 0.000 0.934 53 T HN 0.777 nan 8.240 nan 0.000 0.440 54 A N 3.096 125.900 122.820 -0.027 0.000 2.342 54 A HA 0.839 5.157 4.320 -0.005 0.000 0.323 54 A C -0.837 176.692 177.584 -0.092 0.000 1.125 54 A CA -0.635 51.375 52.037 -0.046 0.000 0.785 54 A CB 1.161 20.116 19.000 -0.074 0.000 1.221 54 A HN 0.658 nan 8.150 nan 0.000 0.463 55 V N 3.762 123.635 119.914 -0.068 0.000 2.524 55 V HA 0.264 4.381 4.120 -0.005 0.000 0.297 55 V C -0.056 175.984 176.094 -0.091 0.000 1.035 55 V CA -0.299 61.941 62.300 -0.101 0.000 0.867 55 V CB 1.691 33.456 31.823 -0.096 0.000 1.004 55 V HN 0.881 nan 8.190 nan 0.000 0.426 56 I N 4.259 124.755 120.570 -0.122 0.000 2.577 56 I HA 0.098 4.265 4.170 -0.005 0.000 0.299 56 I C 0.722 176.793 176.117 -0.076 0.000 1.157 56 I CA 0.405 61.647 61.300 -0.098 0.000 1.418 56 I CB 0.360 38.302 38.000 -0.097 0.000 1.467 56 I HN 0.663 nan 8.210 nan 0.000 0.624 57 S N 7.615 123.250 115.700 -0.108 0.000 2.671 57 S HA 0.009 4.477 4.470 -0.005 0.000 0.331 57 S C 1.305 175.879 174.600 -0.043 0.000 1.182 57 S CA -0.171 57.950 58.200 -0.131 0.000 1.276 57 S CB 0.053 63.051 63.200 -0.336 0.000 1.360 57 S HN 0.658 nan 8.310 nan 0.000 0.563 58 K N 1.787 122.173 120.400 -0.023 0.000 2.304 58 K HA -0.192 4.125 4.320 -0.005 0.000 0.204 58 K C 0.340 176.946 176.600 0.010 0.000 1.044 58 K CA 1.411 57.697 56.287 -0.002 0.000 0.932 58 K CB -0.031 32.467 32.500 -0.003 0.000 0.735 58 K HN 0.530 nan 8.250 nan 0.000 0.468 59 D N -1.306 119.106 120.400 0.020 0.000 2.492 59 D HA 0.176 4.814 4.640 -0.005 0.000 0.229 59 D C -1.893 174.447 176.300 0.066 0.000 1.345 59 D CA -0.360 53.656 54.000 0.027 0.000 0.912 59 D CB 0.053 40.859 40.800 0.009 0.000 1.526 59 D HN -0.057 nan 8.370 nan 0.000 0.505 60 F N 1.015 120.916 119.950 -0.081 0.000 2.599 60 F HA 0.539 5.063 4.527 -0.005 0.000 0.311 60 F C -0.181 175.613 175.800 -0.010 0.000 1.076 60 F CA -0.537 57.426 58.000 -0.062 0.000 0.937 60 F CB 2.121 41.008 39.000 -0.188 0.000 1.282 60 F HN -0.040 nan 8.300 nan 0.000 0.460 61 T N 4.955 119.154 114.554 -0.592 0.000 2.754 61 T HA 0.315 4.663 4.350 -0.005 0.000 0.282 61 T C -0.563 174.287 174.700 0.249 0.000 0.923 61 T CA 0.739 62.723 62.100 -0.192 0.000 1.164 61 T CB -0.824 67.840 68.868 -0.340 0.000 0.873 61 T HN 0.775 nan 8.240 nan 0.000 0.537 62 E N 2.336 122.650 120.200 0.190 0.000 8.077 62 E HA -0.191 4.157 4.350 -0.005 0.000 0.162 62 E C -1.514 175.252 176.600 0.277 0.000 1.458 62 E CA -0.059 56.462 56.400 0.200 0.000 2.527 62 E CB -0.556 29.233 29.700 0.148 0.000 1.500 62 E HN 0.453 nan 8.360 nan 0.000 0.455 63 D N 1.245 121.755 120.400 0.183 0.000 2.177 63 D HA 0.410 5.047 4.640 -0.005 0.000 0.247 63 D C -0.076 176.273 176.300 0.082 0.000 1.063 63 D CA -0.232 53.872 54.000 0.173 0.000 0.867 63 D CB 0.947 41.806 40.800 0.099 0.000 1.168 63 D HN 0.276 nan 8.370 nan 0.000 0.445 64 R N 1.202 121.717 120.500 0.025 0.000 2.854 64 R HA 0.773 5.110 4.340 -0.005 0.000 0.271 64 R C -0.605 175.345 176.300 -0.585 0.000 0.994 64 R CA -0.954 54.880 56.100 -0.443 0.000 0.945 64 R CB 2.680 32.493 30.300 -0.811 0.000 1.194 64 R HN 0.413 nan 8.270 nan 0.000 0.476 65 I N 0.496 120.509 120.570 -0.930 0.000 2.752 65 I HA 0.470 4.638 4.170 -0.005 0.000 0.295 65 I C -1.599 174.050 176.117 -0.779 0.000 1.219 65 I CA -0.595 60.348 61.300 -0.595 0.000 1.030 65 I CB 2.054 39.888 38.000 -0.277 0.000 1.259 65 I HN 0.586 nan 8.210 nan 0.000 0.423 66 W N 7.855 129.089 121.300 -0.110 0.000 2.785 66 W HA 0.503 5.161 4.660 -0.004 0.000 0.333 66 W C -1.429 175.039 176.519 -0.085 0.000 1.062 66 W CA -0.817 56.470 57.345 -0.096 0.000 1.233 66 W CB 2.133 31.528 29.460 -0.107 0.000 1.413 66 W HN 0.274 nan 8.180 nan 0.000 0.489 67 L N 5.046 126.337 121.223 0.112 0.000 2.343 67 L HA 0.350 4.688 4.340 -0.005 0.000 0.278 67 L C 0.451 177.348 176.870 0.045 0.000 0.996 67 L CA -0.224 54.641 54.840 0.042 0.000 0.831 67 L CB 0.619 42.677 42.059 -0.002 0.000 1.232 67 L HN 0.514 nan 8.230 nan 0.000 0.413 68 N N 4.173 122.883 118.700 0.017 0.000 2.721 68 N HA -0.223 4.514 4.740 -0.005 0.000 0.249 68 N C 0.871 176.392 175.510 0.018 0.000 1.072 68 N CA 1.299 54.347 53.050 -0.003 0.000 0.710 68 N CB -0.866 37.612 38.487 -0.015 0.000 0.993 68 N HN 1.191 nan 8.380 nan 0.000 0.547 69 G N -0.605 108.225 108.800 0.049 0.000 2.217 69 G HA2 -0.354 3.603 3.960 -0.005 0.000 0.246 69 G HA3 -0.354 3.603 3.960 -0.005 0.000 0.246 69 G C 0.047 175.029 174.900 0.136 0.000 0.990 69 G CA 0.534 45.664 45.100 0.050 0.000 0.627 69 G HN 0.650 nan 8.290 nan 0.000 0.522 70 R N 1.204 121.790 120.500 0.144 0.000 2.338 70 R HA 0.527 4.864 4.340 -0.005 0.000 0.317 70 R C -0.149 176.233 176.300 0.136 0.000 0.968 70 R CA -0.549 55.633 56.100 0.138 0.000 0.849 70 R CB 0.706 31.042 30.300 0.060 0.000 1.128 70 R HN 0.322 nan 8.270 nan 0.000 0.448 71 E N 3.227 123.490 120.200 0.104 0.000 2.324 71 E HA 0.003 4.350 4.350 -0.005 0.000 0.271 71 E C -0.603 175.860 176.600 -0.228 0.000 1.028 71 E CA -0.101 56.122 56.400 -0.295 0.000 0.890 71 E CB 0.751 30.231 29.700 -0.367 0.000 1.004 71 E HN 0.458 nan 8.360 nan 0.000 0.431 72 E N 2.639 122.668 120.200 -0.285 0.000 2.285 72 E HA 0.136 4.483 4.350 -0.005 0.000 0.254 72 E C -0.863 175.619 176.600 -0.198 0.000 1.011 72 E CA -0.728 55.568 56.400 -0.174 0.000 0.873 72 E CB 0.819 30.446 29.700 -0.122 0.000 1.229 72 E HN 0.496 nan 8.360 nan 0.000 0.422 73 D N 0.959 121.288 120.400 -0.119 0.000 2.339 73 D HA 0.012 4.650 4.640 -0.005 0.000 0.241 73 D C 0.497 176.745 176.300 -0.086 0.000 1.183 73 D CA -0.217 53.723 54.000 -0.099 0.000 0.859 73 D CB 0.965 41.733 40.800 -0.053 0.000 1.067 73 D HN 0.106 nan 8.370 nan 0.000 0.484 74 V N 4.026 123.876 119.914 -0.107 0.000 3.383 74 V HA 0.038 4.155 4.120 -0.005 0.000 0.272 74 V C 1.609 177.689 176.094 -0.023 0.000 1.181 74 V CA 1.765 64.021 62.300 -0.073 0.000 1.171 74 V CB -0.485 31.290 31.823 -0.080 0.000 0.800 74 V HN 0.674 nan 8.190 nan 0.000 0.515 75 G N -0.855 107.933 108.800 -0.021 0.000 3.042 75 G HA2 0.057 4.014 3.960 -0.005 0.000 0.212 75 G HA3 0.057 4.014 3.960 -0.005 0.000 0.212 75 G C 0.549 175.454 174.900 0.009 0.000 1.166 75 G CA -0.336 44.762 45.100 -0.002 0.000 0.767 75 G HN 0.583 nan 8.290 nan 0.000 0.546 76 Q N 1.019 120.827 119.800 0.014 0.000 2.304 76 Q HA 0.045 4.382 4.340 -0.005 0.000 0.301 76 Q C -1.217 174.807 176.000 0.040 0.000 1.063 76 Q CA -1.112 54.710 55.803 0.031 0.000 0.947 76 Q CB 1.294 30.062 28.738 0.050 0.000 1.201 76 Q HN 0.149 nan 8.270 nan 0.000 0.389 77 P HA -0.227 nan 4.420 nan 0.000 0.216 77 P C 0.748 178.059 177.300 0.019 0.000 1.153 77 P CA 1.349 64.462 63.100 0.020 0.000 0.858 77 P CB 0.246 31.952 31.700 0.011 0.000 0.789 78 R N -0.586 119.926 120.500 0.021 0.000 2.075 78 R HA -0.047 4.290 4.340 -0.005 0.000 0.232 78 R C 2.450 178.794 176.300 0.073 0.000 1.126 78 R CA 0.637 56.718 56.100 -0.031 0.000 0.963 78 R CB -1.875 28.362 30.300 -0.106 0.000 0.858 78 R HN 0.243 nan 8.270 nan 0.000 0.435 79 L N 1.710 123.056 121.223 0.204 0.000 2.012 79 L HA -0.174 4.163 4.340 -0.005 0.000 0.210 79 L C 2.180 179.134 176.870 0.140 0.000 1.073 79 L CA 1.863 56.854 54.840 0.253 0.000 0.748 79 L CB -0.625 41.518 42.059 0.140 0.000 0.891 79 L HN 0.072 nan 8.230 nan 0.000 0.431 80 Q N -0.197 119.650 119.800 0.079 0.000 2.061 80 Q HA -0.165 4.173 4.340 -0.005 0.000 0.204 80 Q C 2.310 178.336 176.000 0.044 0.000 0.984 80 Q CA 1.893 57.727 55.803 0.052 0.000 0.846 80 Q CB -0.729 28.028 28.738 0.032 0.000 0.902 80 Q HN 0.686 nan 8.270 nan 0.000 0.421 81 A N 0.272 123.110 122.820 0.030 0.000 1.940 81 A HA -0.206 4.111 4.320 -0.005 0.000 0.219 81 A C 2.508 180.104 177.584 0.018 0.000 1.176 81 A CA 1.600 53.642 52.037 0.009 0.000 0.631 81 A CB -1.137 17.852 19.000 -0.020 0.000 0.814 81 A HN 0.537 nan 8.150 nan 0.000 0.446 82 C N -0.642 118.688 119.300 0.051 0.000 2.453 82 C HA 0.017 4.474 4.460 -0.005 0.000 0.277 82 C C 2.612 177.657 174.990 0.091 0.000 1.262 82 C CA 1.060 60.132 59.018 0.089 0.000 1.718 82 C CB -1.550 26.334 27.740 0.240 0.000 2.031 82 C HN 0.588 nan 8.230 nan 0.000 0.480 83 L N 0.586 121.866 121.223 0.095 0.000 1.989 83 L HA -0.147 4.191 4.340 -0.005 0.000 0.211 83 L C 3.078 179.979 176.870 0.051 0.000 1.071 83 L CA 1.942 56.835 54.840 0.088 0.000 0.749 83 L CB -0.788 41.319 42.059 0.081 0.000 0.890 83 L HN 0.327 nan 8.230 nan 0.000 0.431 84 R N -0.307 120.211 120.500 0.030 0.000 2.091 84 R HA -0.229 4.108 4.340 -0.005 0.000 0.238 84 R C 2.260 178.557 176.300 -0.006 0.000 1.136 84 R CA 1.642 57.745 56.100 0.004 0.000 0.959 84 R CB -0.356 29.946 30.300 0.003 0.000 0.856 84 R HN 0.250 nan 8.270 nan 0.000 0.437 85 E N 1.021 121.224 120.200 0.005 0.000 2.051 85 E HA -0.181 4.166 4.350 -0.005 0.000 0.192 85 E C 1.677 178.275 176.600 -0.002 0.000 0.991 85 E CA 1.118 57.518 56.400 -0.001 0.000 0.799 85 E CB -0.161 29.540 29.700 0.002 0.000 0.748 85 E HN 0.192 nan 8.360 nan 0.000 0.449 86 I N -0.079 120.503 120.570 0.020 0.000 2.333 86 I HA -0.024 4.144 4.170 -0.005 0.000 0.246 86 I C 2.145 178.240 176.117 -0.037 0.000 1.106 86 I CA 1.010 62.328 61.300 0.030 0.000 1.411 86 I CB -0.163 37.898 38.000 0.102 0.000 1.082 86 I HN -0.063 nan 8.210 nan 0.000 0.420 87 R N -0.499 119.958 120.500 -0.072 0.000 2.293 87 R HA -0.180 4.158 4.340 -0.005 0.000 0.219 87 R C 2.398 178.570 176.300 -0.214 0.000 1.091 87 R CA 1.350 57.296 56.100 -0.258 0.000 1.004 87 R CB -0.853 29.353 30.300 -0.157 0.000 0.865 87 R HN 0.644 nan 8.270 nan 0.000 0.469 88 C N -0.959 118.273 119.300 -0.113 0.000 2.522 88 C HA 0.101 4.558 4.460 -0.005 0.000 0.280 88 C C 2.226 177.167 174.990 -0.082 0.000 1.303 88 C CA -0.037 58.931 59.018 -0.084 0.000 1.709 88 C CB -0.886 26.826 27.740 -0.047 0.000 2.071 88 C HN 0.481 nan 8.230 nan 0.000 0.492 89 L N 1.556 122.741 121.223 -0.064 0.000 2.151 89 L HA -0.090 4.247 4.340 -0.005 0.000 0.215 89 L C 1.834 178.670 176.870 -0.057 0.000 1.084 89 L CA 2.016 56.829 54.840 -0.044 0.000 0.764 89 L CB -2.096 39.952 42.059 -0.019 0.000 0.891 89 L HN 0.568 nan 8.230 nan 0.000 0.435 109 K N 1.972 122.453 120.400 0.135 0.000 4.823 109 K HA -0.086 4.231 4.320 -0.005 0.000 0.357 109 K C -1.026 175.607 176.600 0.056 0.000 1.055 109 K CA 0.390 56.730 56.287 0.089 0.000 1.110 109 K CB -1.219 31.318 32.500 0.061 0.000 1.617 109 K HN 0.612 nan 8.250 nan 0.000 0.424 110 V N 3.587 123.555 119.914 0.089 0.000 2.713 110 V HA 0.463 4.581 4.120 -0.005 0.000 0.307 110 V C 0.393 176.590 176.094 0.171 0.000 1.052 110 V CA -0.572 61.764 62.300 0.061 0.000 0.967 110 V CB 1.720 33.566 31.823 0.038 0.000 1.019 110 V HN 0.562 nan 8.190 nan 0.000 0.459 111 H N 1.113 120.195 119.070 0.019 0.000 2.589 111 H HA 0.666 5.219 4.556 -0.005 0.000 0.335 111 H C -1.239 174.153 175.328 0.107 0.000 1.019 111 H CA -0.637 55.460 56.048 0.082 0.000 1.213 111 H CB 2.100 31.899 29.762 0.062 0.000 1.472 111 H HN 0.408 nan 8.280 nan 0.000 0.508 112 V N 2.447 122.507 119.914 0.243 0.000 2.680 112 V HA 0.668 4.785 4.120 -0.005 0.000 0.309 112 V C -0.465 175.803 176.094 0.289 0.000 1.052 112 V CA -0.692 61.709 62.300 0.168 0.000 0.908 112 V CB 1.679 33.537 31.823 0.058 0.000 1.001 112 V HN 0.870 nan 8.190 nan 0.000 0.431 113 A N 2.973 125.900 122.820 0.179 0.000 2.393 113 A HA 0.929 5.246 4.320 -0.005 0.000 0.306 113 A C -0.536 177.084 177.584 0.061 0.000 1.050 113 A CA -0.444 51.697 52.037 0.173 0.000 0.724 113 A CB 2.046 21.068 19.000 0.037 0.000 1.248 113 A HN 0.693 nan 8.150 nan 0.000 0.424 114 S N -0.562 115.166 115.700 0.047 0.000 2.627 114 S HA 0.844 5.311 4.470 -0.005 0.000 0.283 114 S C -1.307 173.270 174.600 -0.038 0.000 1.127 114 S CA -0.450 57.740 58.200 -0.015 0.000 0.863 114 S CB 1.945 65.120 63.200 -0.041 0.000 1.121 114 S HN 1.635 nan 8.310 nan 0.000 0.479 115 V N 2.212 122.074 119.914 -0.086 0.000 3.204 115 V HA 0.794 4.911 4.120 -0.005 0.000 0.298 115 V C -2.211 173.746 176.094 -0.228 0.000 1.328 115 V CA -0.720 61.505 62.300 -0.125 0.000 1.035 115 V CB 2.335 34.096 31.823 -0.104 0.000 1.095 115 V HN 1.157 nan 8.190 nan 0.000 0.442 116 N N 1.221 119.726 118.700 -0.324 0.000 2.823 116 N HA 0.356 5.093 4.740 -0.005 0.000 0.251 116 N C -1.125 174.065 175.510 -0.533 0.000 1.392 116 N CA -0.418 52.244 53.050 -0.647 0.000 0.864 116 N CB 1.134 38.906 38.487 -1.192 0.000 1.481 116 N HN 0.636 nan 8.380 nan 0.000 0.508 117 N N -0.321 118.026 118.700 -0.588 0.000 2.546 117 N HA 0.226 4.963 4.740 -0.005 0.000 0.286 117 N C -1.095 174.444 175.510 0.048 0.000 1.259 117 N CA -0.601 52.328 53.050 -0.202 0.000 0.939 117 N CB -0.039 38.393 38.487 -0.092 0.000 1.243 117 N HN 0.321 nan 8.380 nan 0.000 0.511 118 F N 2.158 122.106 119.950 -0.002 0.000 2.313 118 F HA 0.388 4.912 4.527 -0.004 0.000 0.369 118 F C -1.574 174.240 175.800 0.024 0.000 1.109 118 F CA -2.348 55.660 58.000 0.012 0.000 1.132 118 F CB 0.815 39.821 39.000 0.010 0.000 1.291 118 F HN 0.009 nan 8.300 nan 0.000 0.496 119 P HA 0.039 nan 4.420 nan 0.000 0.269 119 P C 0.084 177.476 177.300 0.153 0.000 1.209 119 P CA -0.098 63.093 63.100 0.152 0.000 0.776 119 P CB 1.025 32.827 31.700 0.169 0.000 0.876 125 A N 0.590 123.353 122.820 -0.095 0.000 3.078 125 A HA 0.122 4.439 4.320 -0.005 0.000 0.258 125 A C 1.387 178.925 177.584 -0.077 0.000 1.971 125 A CA 0.844 52.849 52.037 -0.054 0.000 1.524 125 A CB -1.112 17.867 19.000 -0.035 0.000 0.871 125 A HN 0.665 nan 8.150 nan 0.000 0.609 126 S N -0.945 114.731 115.700 -0.041 0.000 2.489 126 S HA -0.075 4.392 4.470 -0.005 0.000 0.228 126 S C 1.729 176.425 174.600 0.160 0.000 0.995 126 S CA 1.180 59.436 58.200 0.093 0.000 0.934 126 S CB -0.161 63.209 63.200 0.283 0.000 0.771 126 S HN 0.516 nan 8.310 nan 0.000 0.522 127 S N 2.172 117.945 115.700 0.122 0.000 2.357 127 S HA 0.200 4.667 4.470 -0.005 0.000 0.221 127 S C 2.357 177.073 174.600 0.193 0.000 1.031 127 S CA 0.895 59.197 58.200 0.170 0.000 0.982 127 S CB -0.723 62.575 63.200 0.163 0.000 0.853 127 S HN 0.767 nan 8.310 nan 0.000 0.458 128 A N 1.671 124.560 122.820 0.115 0.000 1.902 128 A HA 0.120 4.437 4.320 -0.005 0.000 0.217 128 A C 2.327 179.955 177.584 0.073 0.000 1.181 128 A CA 1.682 53.764 52.037 0.074 0.000 0.623 128 A CB -1.062 17.946 19.000 0.014 0.000 0.818 128 A HN 0.504 nan 8.150 nan 0.000 0.443 129 A N -0.540 122.325 122.820 0.074 0.000 1.972 129 A HA 0.148 4.466 4.320 -0.005 0.000 0.219 129 A C 2.327 179.967 177.584 0.094 0.000 1.169 129 A CA 1.841 53.934 52.037 0.093 0.000 0.635 129 A CB -1.205 17.907 19.000 0.185 0.000 0.810 129 A HN 0.675 nan 8.150 nan 0.000 0.446 130 G N -1.609 107.248 108.800 0.094 0.000 2.414 130 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.215 130 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.215 130 G C 1.443 176.273 174.900 -0.117 0.000 1.188 130 G CA 1.117 46.204 45.100 -0.022 0.000 0.783 130 G HN 0.550 nan 8.290 nan 0.000 0.537 131 Y N 1.121 121.426 120.300 0.008 0.000 2.373 131 Y HA 0.199 4.746 4.550 -0.004 0.000 0.293 131 Y C 3.037 178.928 175.900 -0.015 0.000 1.129 131 Y CA 0.569 58.664 58.100 -0.007 0.000 1.226 131 Y CB 0.009 38.453 38.460 -0.027 0.000 1.000 131 Y HN 0.267 nan 8.280 nan 0.000 0.549 132 A N -1.376 121.501 122.820 0.095 0.000 1.930 132 A HA -0.214 4.104 4.320 -0.005 0.000 0.217 132 A C 2.323 179.933 177.584 0.043 0.000 1.175 132 A CA 1.625 53.680 52.037 0.029 0.000 0.627 132 A CB -1.381 17.600 19.000 -0.031 0.000 0.815 132 A HN 0.594 nan 8.150 nan 0.000 0.443 133 C N -1.312 118.003 119.300 0.025 0.000 2.475 133 C HA 0.098 4.555 4.460 -0.005 0.000 0.279 133 C C 2.466 177.489 174.990 0.055 0.000 1.322 133 C CA 0.972 60.008 59.018 0.032 0.000 1.734 133 C CB -1.242 26.494 27.740 -0.006 0.000 2.005 133 C HN 0.607 nan 8.230 nan 0.000 0.495 134 L N 2.054 123.278 121.223 0.003 0.000 2.017 134 L HA 0.089 4.427 4.340 -0.005 0.000 0.208 134 L C 2.591 179.492 176.870 0.050 0.000 1.073 134 L CA 2.609 57.444 54.840 -0.009 0.000 0.745 134 L CB -0.953 41.047 42.059 -0.099 0.000 0.894 134 L HN 0.316 nan 8.230 nan 0.000 0.432 135 A N -1.694 121.178 122.820 0.086 0.000 1.972 135 A HA -0.270 4.047 4.320 -0.005 0.000 0.219 135 A C 2.271 179.905 177.584 0.082 0.000 1.169 135 A CA 1.791 53.882 52.037 0.089 0.000 0.635 135 A CB -1.085 17.967 19.000 0.087 0.000 0.810 135 A HN 0.637 nan 8.150 nan 0.000 0.446 136 Y N 0.840 121.128 120.300 -0.020 0.000 2.286 136 Y HA -0.099 4.449 4.550 -0.005 0.000 0.293 136 Y C 2.644 178.531 175.900 -0.023 0.000 1.124 136 Y CA 2.017 60.100 58.100 -0.029 0.000 1.178 136 Y CB -0.208 38.226 38.460 -0.044 0.000 1.010 136 Y HN 0.326 nan 8.280 nan 0.000 0.536 137 T N 0.841 115.456 114.554 0.103 0.000 2.698 137 T HA -0.150 4.197 4.350 -0.005 0.000 0.260 137 T C 2.000 176.658 174.700 -0.070 0.000 1.044 137 T CA 1.714 63.828 62.100 0.024 0.000 1.149 137 T CB -0.654 68.236 68.868 0.037 0.000 0.864 137 T HN 0.241 nan 8.240 nan 0.000 0.419 138 L N 1.097 122.287 121.223 -0.055 0.000 2.079 138 L HA -0.146 4.191 4.340 -0.005 0.000 0.210 138 L C 3.048 179.877 176.870 -0.069 0.000 1.081 138 L CA 1.184 55.963 54.840 -0.102 0.000 0.752 138 L CB -0.773 41.292 42.059 0.010 0.000 0.896 138 L HN 0.263 nan 8.230 nan 0.000 0.433 139 A N 0.126 122.918 122.820 -0.048 0.000 1.940 139 A HA -0.267 4.050 4.320 -0.005 0.000 0.219 139 A C 2.440 179.960 177.584 -0.106 0.000 1.176 139 A CA 2.053 54.054 52.037 -0.059 0.000 0.631 139 A CB -0.534 18.377 19.000 -0.148 0.000 0.814 139 A HN 0.382 nan 8.150 nan 0.000 0.446 140 R N -0.899 119.493 120.500 -0.179 0.000 2.127 140 R HA 0.034 4.371 4.340 -0.005 0.000 0.217 140 R C 1.833 178.061 176.300 -0.119 0.000 1.074 140 R CA 1.111 57.116 56.100 -0.158 0.000 0.991 140 R CB -0.231 29.963 30.300 -0.178 0.000 0.895 140 R HN 0.271 nan 8.270 nan 0.000 0.450 141 V N 0.038 119.848 119.914 -0.173 0.000 2.295 141 V HA -0.242 3.875 4.120 -0.005 0.000 0.246 141 V C 1.417 177.371 176.094 -0.234 0.000 1.049 141 V CA 1.695 63.842 62.300 -0.256 0.000 1.024 141 V CB -0.430 31.137 31.823 -0.427 0.000 0.648 141 V HN 0.400 nan 8.190 nan 0.000 0.447 142 Y N -0.009 120.268 120.300 -0.038 0.000 2.511 142 Y HA 0.356 4.903 4.550 -0.005 0.000 0.279 142 Y C 1.774 177.652 175.900 -0.037 0.000 1.157 142 Y CA 0.243 58.324 58.100 -0.032 0.000 1.300 142 Y CB 0.064 38.508 38.460 -0.027 0.000 1.052 142 Y HN 0.376 nan 8.280 nan 0.000 0.529 143 G N 1.470 110.310 108.800 0.066 0.000 2.333 143 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.296 143 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.296 143 G C -0.341 174.575 174.900 0.026 0.000 1.059 143 G CA 0.019 45.131 45.100 0.021 0.000 1.050 143 G HN 0.114 nan 8.290 nan 0.000 0.508 144 V N 1.144 121.072 119.914 0.023 0.000 2.555 144 V HA 0.156 4.273 4.120 -0.005 0.000 0.286 144 V C 1.836 177.923 176.094 -0.013 0.000 1.044 144 V CA -0.190 62.117 62.300 0.012 0.000 1.026 144 V CB 1.315 33.150 31.823 0.019 0.000 0.981 144 V HN 0.555 nan 8.190 nan 0.000 0.480 145 E N 2.988 123.186 120.200 -0.004 0.000 2.024 145 E HA -0.202 4.146 4.350 -0.005 0.000 0.236 145 E C 0.745 177.342 176.600 -0.006 0.000 0.995 145 E CA 1.994 58.392 56.400 -0.003 0.000 0.904 145 E CB -0.128 29.574 29.700 0.003 0.000 0.823 145 E HN 0.939 nan 8.360 nan 0.000 0.552 146 S N -1.005 114.697 115.700 0.004 0.000 2.611 146 S HA 0.359 4.826 4.470 -0.005 0.000 0.268 146 S C -1.409 173.206 174.600 0.025 0.000 1.156 146 S CA -0.164 58.044 58.200 0.013 0.000 0.817 146 S CB 2.285 65.506 63.200 0.035 0.000 1.122 146 S HN 0.357 nan 8.310 nan 0.000 0.466 147 D N -0.103 120.322 120.400 0.041 0.000 4.520 147 D HA -0.079 4.558 4.640 -0.005 0.000 0.245 147 D C -0.106 176.202 176.300 0.013 0.000 1.068 147 D CA 0.225 54.254 54.000 0.049 0.000 1.211 147 D CB -0.637 40.203 40.800 0.067 0.000 0.818 147 D HN 0.478 nan 8.370 nan 0.000 0.392 148 L N 2.592 123.807 121.223 -0.013 0.000 2.628 148 L HA 0.204 4.541 4.340 -0.005 0.000 0.229 148 L C 2.265 179.107 176.870 -0.046 0.000 1.137 148 L CA 0.323 55.151 54.840 -0.020 0.000 0.909 148 L CB -0.985 41.070 42.059 -0.007 0.000 1.137 148 L HN 0.346 nan 8.230 nan 0.000 0.470 149 S N 0.732 116.400 115.700 -0.053 0.000 2.380 149 S HA -0.299 4.168 4.470 -0.005 0.000 0.229 149 S C 1.892 176.435 174.600 -0.095 0.000 1.050 149 S CA 2.145 60.295 58.200 -0.084 0.000 1.100 149 S CB -0.027 63.161 63.200 -0.021 0.000 0.984 149 S HN 0.562 nan 8.310 nan 0.000 0.434 150 E N 0.334 120.506 120.200 -0.046 0.000 2.077 150 E HA -0.130 4.217 4.350 -0.005 0.000 0.193 150 E C 2.015 178.584 176.600 -0.051 0.000 0.989 150 E CA 1.205 57.579 56.400 -0.043 0.000 0.800 150 E CB -0.040 29.653 29.700 -0.011 0.000 0.746 150 E HN 0.327 nan 8.360 nan 0.000 0.452 151 V N 1.273 121.168 119.914 -0.032 0.000 2.332 151 V HA -0.290 3.827 4.120 -0.005 0.000 0.248 151 V C 2.446 178.527 176.094 -0.023 0.000 1.055 151 V CA 1.912 64.205 62.300 -0.012 0.000 1.038 151 V CB -0.846 30.986 31.823 0.016 0.000 0.651 151 V HN 0.419 nan 8.190 nan 0.000 0.450 152 A N -0.210 122.582 122.820 -0.045 0.000 1.855 152 A HA -0.217 4.101 4.320 -0.005 0.000 0.215 152 A C 2.424 179.906 177.584 -0.171 0.000 1.191 152 A CA 1.850 53.852 52.037 -0.058 0.000 0.613 152 A CB -0.598 18.351 19.000 -0.085 0.000 0.829 152 A HN 0.433 nan 8.150 nan 0.000 0.442 153 R N -0.853 119.508 120.500 -0.231 0.000 2.103 153 R HA -0.161 4.177 4.340 -0.005 0.000 0.242 153 R C 2.088 178.250 176.300 -0.231 0.000 1.142 153 R CA 1.445 57.358 56.100 -0.312 0.000 0.960 153 R CB -0.184 29.944 30.300 -0.287 0.000 0.858 153 R HN 0.258 nan 8.270 nan 0.000 0.439 154 R N -0.616 119.785 120.500 -0.166 0.000 2.237 154 R HA -0.037 4.300 4.340 -0.005 0.000 0.219 154 R C 1.900 178.042 176.300 -0.263 0.000 1.080 154 R CA 1.118 57.129 56.100 -0.148 0.000 0.995 154 R CB -0.507 29.743 30.300 -0.083 0.000 0.875 154 R HN 0.436 nan 8.270 nan 0.000 0.462 155 G N -1.044 107.499 108.800 -0.428 0.000 2.486 155 G HA2 -0.066 3.891 3.960 -0.005 0.000 0.210 155 G HA3 -0.066 3.891 3.960 -0.005 0.000 0.210 155 G C 0.141 174.343 174.900 -1.164 0.000 1.168 155 G CA 0.365 44.804 45.100 -1.100 0.000 0.820 155 G HN 0.288 nan 8.290 nan 0.000 0.544 156 S N -1.200 114.122 115.700 -0.630 0.000 2.616 156 S HA 0.472 4.939 4.470 -0.005 0.000 0.276 156 S C 1.213 175.661 174.600 -0.252 0.000 1.159 156 S CA 0.495 58.506 58.200 -0.314 0.000 1.000 156 S CB 0.790 63.914 63.200 -0.125 0.000 1.117 156 S HN 0.578 nan 8.310 nan 0.000 0.464 157 G N 3.520 112.207 108.800 -0.189 0.000 2.732 157 G HA2 -0.343 3.614 3.960 -0.005 0.000 0.222 157 G HA3 -0.343 3.614 3.960 -0.005 0.000 0.222 157 G C 1.581 175.947 174.900 -0.890 0.000 1.203 157 G CA 1.789 46.645 45.100 -0.407 0.000 0.780 157 G HN 1.538 nan 8.290 nan 0.000 0.621 158 S N 0.801 116.250 115.700 -0.418 0.000 2.603 158 S HA 0.416 4.883 4.470 -0.005 0.000 0.229 158 S C 2.351 176.779 174.600 -0.286 0.000 0.972 158 S CA 1.151 59.147 58.200 -0.340 0.000 0.935 158 S CB -0.028 63.199 63.200 0.045 0.000 0.769 158 S HN 0.789 nan 8.310 nan 0.000 0.536 159 A N 1.569 124.229 122.820 -0.266 0.000 1.972 159 A HA -0.125 4.193 4.320 -0.005 0.000 0.219 159 A C 2.502 179.955 177.584 -0.219 0.000 1.169 159 A CA 1.443 53.385 52.037 -0.159 0.000 0.635 159 A CB -1.723 17.238 19.000 -0.065 0.000 0.810 159 A HN 1.060 nan 8.150 nan 0.000 0.446 160 C N -0.863 118.211 119.300 -0.376 0.000 2.419 160 C HA 0.031 4.488 4.460 -0.005 0.000 0.281 160 C C 2.367 177.211 174.990 -0.242 0.000 1.336 160 C CA 0.747 59.558 59.018 -0.345 0.000 1.770 160 C CB -1.442 26.002 27.740 -0.492 0.000 1.929 160 C HN 0.559 nan 8.230 nan 0.000 0.509 161 R N 1.079 121.453 120.500 -0.210 0.000 2.323 161 R HA 0.054 4.391 4.340 -0.005 0.000 0.198 161 R C 1.763 178.036 176.300 -0.044 0.000 0.988 161 R CA 0.773 56.844 56.100 -0.048 0.000 1.041 161 R CB -0.207 30.102 30.300 0.014 0.000 0.926 161 R HN 0.528 nan 8.270 nan 0.000 0.476 162 S N 0.466 116.103 115.700 -0.106 0.000 2.572 162 S HA 0.219 4.686 4.470 -0.005 0.000 0.228 162 S C 1.274 175.773 174.600 -0.170 0.000 0.963 162 S CA -0.128 58.010 58.200 -0.103 0.000 0.939 162 S CB 0.329 63.481 63.200 -0.080 0.000 0.804 162 S HN 0.214 nan 8.310 nan 0.000 0.480 163 L N -0.115 120.946 121.223 -0.271 0.000 2.529 163 L HA 0.266 4.603 4.340 -0.005 0.000 0.223 163 L C -0.263 176.278 176.870 -0.548 0.000 1.113 163 L CA 0.572 55.144 54.840 -0.448 0.000 0.861 163 L CB 0.064 41.748 42.059 -0.625 0.000 1.012 163 L HN 0.316 nan 8.230 nan 0.000 0.461 164 Y N -1.079 119.199 120.300 -0.037 0.000 2.598 164 Y HA 0.620 5.167 4.550 -0.005 0.000 0.340 164 Y C 0.785 176.657 175.900 -0.047 0.000 1.038 164 Y CA -1.119 56.965 58.100 -0.026 0.000 1.100 164 Y CB 1.323 39.785 38.460 0.005 0.000 1.281 164 Y HN -0.199 nan 8.280 nan 0.000 0.488 165 G N -0.539 108.347 108.800 0.143 0.000 2.531 165 G HA2 0.491 4.449 3.960 -0.005 0.000 0.313 165 G HA3 0.491 4.449 3.960 -0.005 0.000 0.313 165 G C 0.392 175.310 174.900 0.030 0.000 1.238 165 G CA -0.096 45.022 45.100 0.030 0.000 0.994 165 G HN 1.133 nan 8.290 nan 0.000 0.493 166 G N -0.640 108.124 108.800 -0.060 0.000 2.565 166 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.295 166 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.295 166 G C -0.132 174.535 174.900 -0.390 0.000 1.165 166 G CA 0.554 45.563 45.100 -0.152 0.000 0.977 166 G HN 0.997 nan 8.290 nan 0.000 0.546 167 F N 0.758 120.784 119.950 0.127 0.000 2.375 167 F HA 0.641 5.165 4.527 -0.005 0.000 0.361 167 F C 0.500 176.363 175.800 0.105 0.000 1.117 167 F CA -0.854 57.227 58.000 0.135 0.000 1.037 167 F CB 2.128 41.218 39.000 0.151 0.000 1.192 167 F HN 0.306 nan 8.300 nan 0.000 0.452 168 V N 2.272 122.319 119.914 0.221 0.000 2.769 168 V HA 0.451 4.568 4.120 -0.005 0.000 0.312 168 V C -0.361 175.849 176.094 0.193 0.000 1.058 168 V CA -0.954 61.463 62.300 0.195 0.000 0.952 168 V CB 2.029 33.974 31.823 0.202 0.000 1.019 168 V HN 0.764 nan 8.190 nan 0.000 0.445 169 E N 2.288 122.595 120.200 0.179 0.000 2.207 169 E HA 0.324 4.671 4.350 -0.005 0.000 0.270 169 E C -1.804 174.950 176.600 0.257 0.000 0.927 169 E CA -0.724 55.785 56.400 0.182 0.000 0.799 169 E CB 1.804 31.577 29.700 0.123 0.000 1.172 169 E HN 0.654 nan 8.360 nan 0.000 0.404 170 W N 5.582 126.894 121.300 0.021 0.000 2.394 170 W HA 0.282 4.940 4.660 -0.004 0.000 0.312 170 W C -1.057 175.450 176.519 -0.020 0.000 0.981 170 W CA -1.086 56.252 57.345 -0.012 0.000 1.519 170 W CB 0.242 29.657 29.460 -0.074 0.000 1.304 170 W HN 0.542 nan 8.180 nan 0.000 0.412 171 Q N 5.260 125.211 119.800 0.253 0.000 2.274 171 Q HA -0.029 4.308 4.340 -0.005 0.000 0.280 171 Q C 1.953 177.907 176.000 -0.076 0.000 1.047 171 Q CA 0.402 56.236 55.803 0.052 0.000 0.907 171 Q CB 1.127 29.914 28.738 0.081 0.000 1.171 171 Q HN 0.723 nan 8.270 nan 0.000 0.381 172 M N 1.054 120.511 119.600 -0.239 0.000 2.159 172 M HA 0.049 4.526 4.480 -0.005 0.000 0.263 172 M C 0.787 177.022 176.300 -0.107 0.000 1.063 172 M CA 1.571 56.686 55.300 -0.308 0.000 1.110 172 M CB -0.271 32.165 32.600 -0.273 0.000 1.374 172 M HN 0.659 nan 8.290 nan 0.000 0.411 173 G N 0.734 109.508 108.800 -0.043 0.000 2.712 173 G HA2 -0.138 3.819 3.960 -0.005 0.000 0.686 173 G HA3 -0.138 3.819 3.960 -0.005 0.000 0.686 173 G C -0.414 174.479 174.900 -0.012 0.000 1.181 173 G CA -0.127 44.973 45.100 -0.001 0.000 0.762 173 G HN 0.595 nan 8.290 nan 0.000 0.641 174 E N 0.123 120.322 120.200 -0.001 0.000 2.372 174 E HA 0.048 4.396 4.350 -0.005 0.000 0.201 174 E C 0.973 177.573 176.600 0.001 0.000 0.938 174 E CA 0.170 56.567 56.400 -0.005 0.000 0.944 174 E CB 0.307 30.005 29.700 -0.003 0.000 0.937 174 E HN 0.682 nan 8.360 nan 0.000 0.495 175 Q N 0.619 120.424 119.800 0.008 0.000 2.304 175 Q HA 0.324 4.661 4.340 -0.005 0.000 0.260 175 Q C 0.615 176.622 176.000 0.011 0.000 0.965 175 Q CA -0.139 55.670 55.803 0.010 0.000 0.898 175 Q CB 1.404 30.151 28.738 0.015 0.000 1.196 175 Q HN 0.125 nan 8.270 nan 0.000 0.402 176 A N 3.071 125.896 122.820 0.009 0.000 2.067 176 A HA -0.168 4.149 4.320 -0.005 0.000 0.219 176 A C 1.397 178.988 177.584 0.013 0.000 1.158 176 A CA 1.465 53.507 52.037 0.009 0.000 0.661 176 A CB -0.168 18.835 19.000 0.006 0.000 0.801 176 A HN 0.892 nan 8.150 nan 0.000 0.452 177 D N -0.778 119.630 120.400 0.013 0.000 2.363 177 D HA 0.113 4.750 4.640 -0.005 0.000 0.226 177 D C 1.168 177.481 176.300 0.020 0.000 1.020 177 D CA 0.794 54.803 54.000 0.014 0.000 0.892 177 D CB -1.010 39.796 40.800 0.011 0.000 0.900 177 D HN 0.647 nan 8.370 nan 0.000 0.531 178 G N 1.421 110.237 108.800 0.026 0.000 2.321 178 G HA2 -0.334 3.623 3.960 -0.005 0.000 0.287 178 G HA3 -0.334 3.623 3.960 -0.005 0.000 0.287 178 G C 1.000 175.927 174.900 0.045 0.000 1.018 178 G CA 0.518 45.643 45.100 0.041 0.000 0.855 178 G HN 0.332 nan 8.290 nan 0.000 0.507 179 K N 0.181 120.602 120.400 0.035 0.000 2.400 179 K HA 0.035 4.353 4.320 -0.005 0.000 0.194 179 K C 1.671 178.298 176.600 0.044 0.000 1.033 179 K CA 1.120 57.428 56.287 0.034 0.000 1.021 179 K CB 0.237 32.751 32.500 0.024 0.000 0.808 179 K HN 0.701 nan 8.250 nan 0.000 0.505 180 D N -0.899 119.531 120.400 0.050 0.000 2.395 180 D HA -0.025 4.612 4.640 -0.005 0.000 0.213 180 D C 0.007 176.360 176.300 0.087 0.000 1.110 180 D CA -0.095 53.940 54.000 0.057 0.000 0.835 180 D CB 0.159 40.983 40.800 0.040 0.000 0.965 180 D HN -0.277 nan 8.370 nan 0.000 0.505 181 S N 0.921 116.690 115.700 0.115 0.000 2.955 181 S HA 0.476 4.943 4.470 -0.005 0.000 0.294 181 S C 0.269 175.026 174.600 0.260 0.000 1.198 181 S CA -0.747 57.578 58.200 0.209 0.000 1.008 181 S CB -1.044 62.295 63.200 0.232 0.000 1.279 181 S HN 0.390 nan 8.310 nan 0.000 0.508 182 I N 0.418 121.135 120.570 0.245 0.000 3.343 182 I HA 0.926 5.094 4.170 -0.005 0.000 0.315 182 I C -0.380 175.871 176.117 0.223 0.000 1.153 182 I CA -1.749 59.652 61.300 0.168 0.000 0.952 182 I CB 1.433 39.504 38.000 0.119 0.000 1.287 182 I HN 0.363 nan 8.210 nan 0.000 0.472 183 A N 1.924 124.847 122.820 0.172 0.000 2.316 183 A HA 0.759 5.076 4.320 -0.005 0.000 0.284 183 A C -0.290 177.463 177.584 0.281 0.000 1.115 183 A CA -0.478 51.716 52.037 0.260 0.000 0.812 183 A CB 0.709 19.877 19.000 0.279 0.000 1.064 183 A HN 0.671 nan 8.150 nan 0.000 0.489 184 R N 1.340 121.939 120.500 0.166 0.000 2.515 184 R HA 0.204 4.542 4.340 -0.005 0.000 0.291 184 R C -1.132 175.127 176.300 -0.069 0.000 1.046 184 R CA -0.375 55.714 56.100 -0.019 0.000 0.914 184 R CB 1.586 31.900 30.300 0.023 0.000 1.191 184 R HN 1.009 nan 8.270 nan 0.000 0.435 185 Q N 2.436 122.071 119.800 -0.276 0.000 2.313 185 Q HA 0.138 4.476 4.340 -0.005 0.000 0.266 185 Q C 0.192 176.160 176.000 -0.053 0.000 0.989 185 Q CA -0.039 55.674 55.803 -0.150 0.000 0.890 185 Q CB 1.294 29.883 28.738 -0.249 0.000 1.200 185 Q HN 0.461 nan 8.270 nan 0.000 0.396 186 V N 2.477 122.413 119.914 0.037 0.000 2.949 186 V HA 0.314 4.431 4.120 -0.005 0.000 0.245 186 V C 0.161 176.242 176.094 -0.021 0.000 1.086 186 V CA 0.983 63.296 62.300 0.020 0.000 1.097 186 V CB 0.360 32.228 31.823 0.074 0.000 0.762 186 V HN 0.791 nan 8.190 nan 0.000 0.470 187 A N 0.177 123.039 122.820 0.070 0.000 2.594 187 A HA 0.699 5.016 4.320 -0.005 0.000 0.296 187 A C -3.187 174.517 177.584 0.201 0.000 1.056 187 A CA -1.026 51.029 52.037 0.031 0.000 0.693 187 A CB 1.254 20.182 19.000 -0.121 0.000 1.278 187 A HN -0.013 nan 8.150 nan 0.000 0.408 188 P HA 0.300 nan 4.420 nan 0.000 0.276 188 P C -0.091 177.361 177.300 0.254 0.000 1.261 188 P CA 0.056 63.252 63.100 0.160 0.000 0.800 188 P CB 0.771 32.534 31.700 0.104 0.000 1.066 189 E N -0.064 120.233 120.200 0.162 0.000 2.265 189 E HA -0.147 4.200 4.350 -0.005 0.000 0.196 189 E C 1.775 178.503 176.600 0.214 0.000 0.996 189 E CA 1.653 58.142 56.400 0.148 0.000 0.832 189 E CB -0.930 28.806 29.700 0.059 0.000 0.756 189 E HN 0.483 nan 8.360 nan 0.000 0.491 190 S N -0.479 115.340 115.700 0.199 0.000 2.561 190 S HA -0.052 4.415 4.470 -0.005 0.000 0.225 190 S C 1.691 176.430 174.600 0.232 0.000 0.977 190 S CA 0.463 58.773 58.200 0.183 0.000 0.926 190 S CB -0.218 63.060 63.200 0.131 0.000 0.769 190 S HN 0.309 nan 8.310 nan 0.000 0.533 191 H N 0.386 119.574 119.070 0.197 0.000 2.326 191 H HA 0.089 4.642 4.556 -0.005 0.000 0.301 191 H C -0.039 175.407 175.328 0.196 0.000 1.081 191 H CA 1.688 57.827 56.048 0.152 0.000 1.334 191 H CB -0.001 29.839 29.762 0.130 0.000 1.385 191 H HN 0.527 nan 8.280 nan 0.000 0.504 192 W N 1.468 122.836 121.300 0.113 0.000 2.317 192 W HA 0.305 4.962 4.660 -0.005 0.000 0.290 192 W C -2.104 174.455 176.519 0.068 0.000 0.937 192 W CA -3.302 54.050 57.345 0.010 0.000 1.790 192 W CB 0.714 30.223 29.460 0.082 0.000 1.847 192 W HN 0.190 nan 8.180 nan 0.000 0.411 193 P HA -0.232 nan 4.420 nan 0.000 0.216 193 P C 1.101 178.450 177.300 0.082 0.000 1.150 193 P CA 2.123 65.313 63.100 0.150 0.000 0.843 193 P CB 0.548 32.312 31.700 0.106 0.000 0.787 194 E N -0.881 119.371 120.200 0.086 0.000 2.204 194 E HA -0.049 4.298 4.350 -0.005 0.000 0.194 194 E C 0.701 177.173 176.600 -0.213 0.000 0.989 194 E CA 0.134 56.508 56.400 -0.043 0.000 0.824 194 E CB -0.884 28.815 29.700 -0.001 0.000 0.756 194 E HN 0.130 nan 8.360 nan 0.000 0.477 195 L N 1.854 122.849 121.223 -0.379 0.000 2.525 195 L HA 0.031 4.368 4.340 -0.005 0.000 0.278 195 L C -0.134 176.612 176.870 -0.207 0.000 1.218 195 L CA 0.696 55.257 54.840 -0.465 0.000 0.878 195 L CB 0.266 41.975 42.059 -0.584 0.000 1.127 195 L HN -0.085 nan 8.230 nan 0.000 0.492 196 R N 3.488 123.876 120.500 -0.188 0.000 2.807 196 R HA 0.742 5.080 4.340 -0.005 0.000 0.276 196 R C -1.490 174.693 176.300 -0.195 0.000 0.979 196 R CA -0.824 55.186 56.100 -0.151 0.000 0.928 196 R CB 2.082 32.298 30.300 -0.139 0.000 1.191 196 R HN 0.451 nan 8.270 nan 0.000 0.471 197 V N 3.471 123.240 119.914 -0.242 0.000 2.656 197 V HA 0.546 4.664 4.120 -0.005 0.000 0.307 197 V C -0.412 175.511 176.094 -0.285 0.000 1.051 197 V CA -0.812 61.240 62.300 -0.413 0.000 0.893 197 V CB 2.306 33.826 31.823 -0.505 0.000 0.999 197 V HN 0.464 nan 8.190 nan 0.000 0.426 198 L N 5.139 126.188 121.223 -0.291 0.000 2.362 198 L HA 0.674 5.012 4.340 -0.005 0.000 0.271 198 L C -0.883 175.853 176.870 -0.225 0.000 1.002 198 L CA -0.602 54.121 54.840 -0.194 0.000 0.818 198 L CB 2.337 44.332 42.059 -0.105 0.000 1.298 198 L HN 0.449 nan 8.230 nan 0.000 0.420 199 I N 4.164 124.614 120.570 -0.200 0.000 2.420 199 I HA 0.308 4.476 4.170 -0.005 0.000 0.282 199 I C -0.543 175.423 176.117 -0.251 0.000 1.019 199 I CA -0.403 60.764 61.300 -0.221 0.000 1.130 199 I CB 1.566 39.455 38.000 -0.186 0.000 1.262 199 I HN 0.378 nan 8.210 nan 0.000 0.454 200 L N 7.034 128.091 121.223 -0.276 0.000 2.268 200 L HA 0.365 4.702 4.340 -0.005 0.000 0.289 200 L C -0.142 176.513 176.870 -0.358 0.000 1.064 200 L CA -0.712 53.935 54.840 -0.321 0.000 0.824 200 L CB 0.888 42.777 42.059 -0.283 0.000 1.202 200 L HN 0.290 nan 8.230 nan 0.000 0.433 201 V N 5.063 124.678 119.914 -0.498 0.000 2.389 201 V HA 0.163 4.281 4.120 -0.005 0.000 0.264 201 V C 0.598 176.461 176.094 -0.385 0.000 1.049 201 V CA -0.298 61.699 62.300 -0.505 0.000 0.932 201 V CB 1.480 32.765 31.823 -0.897 0.000 1.011 201 V HN 0.426 nan 8.190 nan 0.000 0.475 202 V N 4.523 124.291 119.914 -0.244 0.000 2.863 202 V HA 0.397 4.515 4.120 -0.005 0.000 0.307 202 V C 0.606 176.639 176.094 -0.102 0.000 1.061 202 V CA -0.485 61.710 62.300 -0.176 0.000 1.024 202 V CB 2.258 33.996 31.823 -0.141 0.000 1.049 202 V HN 0.982 nan 8.190 nan 0.000 0.471 203 S N 2.195 117.856 115.700 -0.065 0.000 2.499 203 S HA 0.783 5.250 4.470 -0.005 0.000 0.275 203 S C -0.304 174.291 174.600 -0.008 0.000 1.257 203 S CA 0.015 58.202 58.200 -0.022 0.000 1.050 203 S CB 0.964 64.163 63.200 -0.002 0.000 0.937 203 S HN 1.409 nan 8.310 nan 0.000 0.490 204 A N 1.944 124.766 122.820 0.004 0.000 2.602 204 A HA 0.813 5.130 4.320 -0.005 0.000 0.290 204 A C 0.063 177.661 177.584 0.024 0.000 1.114 204 A CA -0.517 51.530 52.037 0.016 0.000 0.683 204 A CB 1.477 20.488 19.000 0.018 0.000 1.281 204 A HN 0.791 nan 8.150 nan 0.000 0.416 205 E N 0.605 120.823 120.200 0.030 0.000 3.635 205 E HA 0.159 4.507 4.350 -0.005 0.000 0.183 205 E C -0.162 176.460 176.600 0.037 0.000 1.263 205 E CA 0.724 57.142 56.400 0.031 0.000 1.427 205 E CB -0.267 29.448 29.700 0.025 0.000 1.724 205 E HN 0.722 nan 8.360 nan 0.000 0.520 206 K N 2.455 122.876 120.400 0.034 0.000 2.408 206 K HA -0.217 4.101 4.320 -0.005 0.000 0.253 206 K C -0.082 176.548 176.600 0.050 0.000 1.083 206 K CA 0.571 56.879 56.287 0.035 0.000 1.172 206 K CB -0.311 32.206 32.500 0.030 0.000 0.760 206 K HN 0.067 nan 8.250 nan 0.000 0.492 207 K N 5.172 125.600 120.400 0.046 0.000 2.430 207 K HA -0.033 4.284 4.320 -0.005 0.000 0.280 207 K C -0.160 176.488 176.600 0.079 0.000 1.063 207 K CA -0.138 56.184 56.287 0.058 0.000 1.071 207 K CB 0.227 32.754 32.500 0.046 0.000 0.899 207 K HN 0.495 nan 8.250 nan 0.000 0.473 208 L N 3.450 124.744 121.223 0.118 0.000 2.452 208 L HA 0.107 4.444 4.340 -0.005 0.000 0.267 208 L C 0.994 177.983 176.870 0.199 0.000 1.188 208 L CA -0.446 54.511 54.840 0.196 0.000 0.821 208 L CB 0.691 42.908 42.059 0.264 0.000 1.102 208 L HN 0.703 nan 8.230 nan 0.000 0.470 209 T N -0.552 114.154 114.554 0.252 0.000 2.817 209 T HA 0.403 4.750 4.350 -0.005 0.000 0.293 209 T C 0.492 175.385 174.700 0.322 0.000 0.964 209 T CA -0.597 61.631 62.100 0.213 0.000 1.085 209 T CB 1.223 70.168 68.868 0.129 0.000 0.921 209 T HN 0.728 nan 8.240 nan 0.000 0.502 210 G N 2.124 111.052 108.800 0.214 0.000 2.484 210 G HA2 0.275 4.232 3.960 -0.005 0.000 0.235 210 G HA3 0.275 4.232 3.960 -0.005 0.000 0.235 210 G C 1.132 176.185 174.900 0.256 0.000 1.282 210 G CA -0.208 45.010 45.100 0.197 0.000 0.857 210 G HN 1.111 nan 8.290 nan 0.000 0.571 211 S N 0.993 116.836 115.700 0.238 0.000 2.402 211 S HA -0.140 4.328 4.470 -0.005 0.000 0.229 211 S C 2.126 176.740 174.600 0.023 0.000 1.021 211 S CA 1.712 60.078 58.200 0.276 0.000 0.974 211 S CB -0.388 62.969 63.200 0.262 0.000 0.800 211 S HN 0.524 nan 8.310 nan 0.000 0.484 212 T N 2.372 116.938 114.554 0.020 0.000 2.737 212 T HA 0.016 4.363 4.350 -0.005 0.000 0.265 212 T C 1.920 176.580 174.700 -0.067 0.000 1.038 212 T CA 1.464 63.538 62.100 -0.044 0.000 1.144 212 T CB -0.517 68.355 68.868 0.006 0.000 0.866 212 T HN 0.291 nan 8.240 nan 0.000 0.434 213 V N 1.321 121.234 119.914 -0.001 0.000 2.427 213 V HA -0.031 4.086 4.120 -0.005 0.000 0.248 213 V C 2.824 178.919 176.094 0.003 0.000 1.051 213 V CA 1.798 64.101 62.300 0.005 0.000 1.048 213 V CB -1.319 30.527 31.823 0.039 0.000 0.666 213 V HN 0.584 nan 8.190 nan 0.000 0.456 214 G N 0.989 109.828 108.800 0.065 0.000 2.433 214 G HA2 -0.310 3.647 3.960 -0.005 0.000 0.216 214 G HA3 -0.310 3.647 3.960 -0.005 0.000 0.216 214 G C 1.624 176.496 174.900 -0.046 0.000 1.186 214 G CA 1.314 46.512 45.100 0.164 0.000 0.779 214 G HN 0.608 nan 8.290 nan 0.000 0.543 215 M N -0.127 119.114 119.600 -0.598 0.000 2.229 215 M HA 0.183 4.660 4.480 -0.005 0.000 0.264 215 M C 2.408 178.411 176.300 -0.494 0.000 1.063 215 M CA 1.708 56.340 55.300 -1.114 0.000 1.114 215 M CB -0.318 31.207 32.600 -1.792 0.000 1.387 215 M HN 0.164 nan 8.290 nan 0.000 0.420 216 R N 1.153 121.480 120.500 -0.288 0.000 2.081 216 R HA -0.059 4.278 4.340 -0.005 0.000 0.235 216 R C 2.205 178.456 176.300 -0.083 0.000 1.131 216 R CA 1.642 57.652 56.100 -0.150 0.000 0.960 216 R CB -0.417 29.829 30.300 -0.090 0.000 0.856 216 R HN 0.529 nan 8.270 nan 0.000 0.436 217 A N 0.120 122.909 122.820 -0.051 0.000 1.972 217 A HA -0.096 4.221 4.320 -0.005 0.000 0.219 217 A C 2.165 179.773 177.584 0.041 0.000 1.169 217 A CA 1.739 53.783 52.037 0.012 0.000 0.635 217 A CB -0.371 18.649 19.000 0.035 0.000 0.810 217 A HN 0.433 nan 8.150 nan 0.000 0.446 218 S N -0.396 115.324 115.700 0.034 0.000 2.355 218 S HA -0.111 4.356 4.470 -0.005 0.000 0.222 218 S C 1.857 176.492 174.600 0.058 0.000 1.031 218 S CA 1.368 59.634 58.200 0.109 0.000 0.993 218 S CB -0.428 62.919 63.200 0.244 0.000 0.859 218 S HN 0.347 nan 8.310 nan 0.000 0.453 219 V N 2.372 122.273 119.914 -0.021 0.000 2.490 219 V HA -0.126 3.991 4.120 -0.005 0.000 0.250 219 V C 2.288 178.391 176.094 0.016 0.000 1.061 219 V CA 1.454 63.748 62.300 -0.011 0.000 1.064 219 V CB -0.594 31.197 31.823 -0.053 0.000 0.670 219 V HN 0.410 nan 8.190 nan 0.000 0.461 220 E N 0.366 120.578 120.200 0.019 0.000 2.230 220 E HA -0.061 4.286 4.350 -0.005 0.000 0.192 220 E C 2.164 178.795 176.600 0.053 0.000 0.987 220 E CA 1.544 57.963 56.400 0.031 0.000 0.841 220 E CB -0.178 29.540 29.700 0.029 0.000 0.783 220 E HN 0.806 nan 8.360 nan 0.000 0.481 221 T N -3.250 111.350 114.554 0.076 0.000 3.004 221 T HA 0.162 4.510 4.350 -0.005 0.000 0.266 221 T C 0.845 175.605 174.700 0.100 0.000 0.986 221 T CA -0.264 61.895 62.100 0.098 0.000 0.902 221 T CB 0.297 69.264 68.868 0.166 0.000 1.118 221 T HN -0.062 nan 8.240 nan 0.000 0.522 222 S N 3.603 119.365 115.700 0.104 0.000 2.404 222 S HA 0.398 4.865 4.470 -0.005 0.000 0.309 222 S C -1.422 173.237 174.600 0.098 0.000 1.076 222 S CA -1.664 56.603 58.200 0.112 0.000 1.095 222 S CB 1.250 64.539 63.200 0.148 0.000 0.972 222 S HN 0.132 nan 8.310 nan 0.000 0.484 223 P HA -0.052 nan 4.420 nan 0.000 0.221 223 P C 1.375 178.742 177.300 0.111 0.000 1.150 223 P CA 0.733 63.878 63.100 0.075 0.000 0.800 223 P CB 0.111 31.835 31.700 0.040 0.000 0.787 224 L N -1.182 120.112 121.223 0.118 0.000 2.156 224 L HA -0.107 4.230 4.340 -0.005 0.000 0.208 224 L C 2.604 179.602 176.870 0.213 0.000 1.095 224 L CA 0.598 55.539 54.840 0.169 0.000 0.770 224 L CB -0.988 41.154 42.059 0.137 0.000 0.914 224 L HN -0.028 nan 8.230 nan 0.000 0.439 225 L N 0.301 121.630 121.223 0.177 0.000 2.046 225 L HA -0.207 4.130 4.340 -0.005 0.000 0.208 225 L C 2.745 179.700 176.870 0.141 0.000 1.077 225 L CA 1.684 56.631 54.840 0.178 0.000 0.747 225 L CB -0.638 41.535 42.059 0.190 0.000 0.896 225 L HN 0.135 nan 8.230 nan 0.000 0.432 226 R N -1.361 119.219 120.500 0.133 0.000 2.091 226 R HA -0.252 4.085 4.340 -0.005 0.000 0.238 226 R C 2.378 178.756 176.300 0.129 0.000 1.136 226 R CA 2.087 58.252 56.100 0.108 0.000 0.959 226 R CB -0.625 29.736 30.300 0.102 0.000 0.856 226 R HN 0.455 nan 8.270 nan 0.000 0.437 227 F N 1.675 121.647 119.950 0.036 0.000 2.234 227 F HA -0.115 4.410 4.527 -0.003 0.000 0.299 227 F C 2.508 178.329 175.800 0.035 0.000 1.087 227 F CA 1.592 59.610 58.000 0.031 0.000 1.340 227 F CB -0.272 38.746 39.000 0.030 0.000 1.031 227 F HN -0.055 nan 8.300 nan 0.000 0.500 228 R N 0.599 121.095 120.500 -0.006 0.000 2.070 228 R HA -0.152 4.185 4.340 -0.005 0.000 0.233 228 R C 2.324 178.537 176.300 -0.144 0.000 1.137 228 R CA 1.653 57.695 56.100 -0.097 0.000 0.945 228 R CB -0.810 29.531 30.300 0.068 0.000 0.845 228 R HN 0.321 nan 8.270 nan 0.000 0.430 229 A N 0.983 123.766 122.820 -0.061 0.000 1.930 229 A HA -0.131 4.186 4.320 -0.005 0.000 0.217 229 A C 1.915 179.439 177.584 -0.101 0.000 1.175 229 A CA 1.499 53.499 52.037 -0.062 0.000 0.627 229 A CB -0.332 18.655 19.000 -0.020 0.000 0.815 229 A HN 0.559 nan 8.150 nan 0.000 0.443 230 E N -0.385 119.746 120.200 -0.114 0.000 2.076 230 E HA -0.043 4.304 4.350 -0.005 0.000 0.190 230 E C 1.482 177.980 176.600 -0.171 0.000 0.979 230 E CA 1.408 57.745 56.400 -0.106 0.000 0.807 230 E CB -0.054 29.621 29.700 -0.042 0.000 0.761 230 E HN 0.549 nan 8.360 nan 0.000 0.454 231 S N -0.342 115.147 115.700 -0.352 0.000 2.578 231 S HA 0.117 4.584 4.470 -0.005 0.000 0.228 231 S C 1.638 176.010 174.600 -0.380 0.000 1.022 231 S CA -0.230 57.746 58.200 -0.374 0.000 0.967 231 S CB 1.038 63.979 63.200 -0.432 0.000 0.914 231 S HN -0.039 nan 8.310 nan 0.000 0.515 232 V N 0.770 120.443 119.914 -0.401 0.000 2.602 232 V HA 0.047 4.164 4.120 -0.005 0.000 0.235 232 V C 2.183 178.197 176.094 -0.134 0.000 1.087 232 V CA 0.669 62.821 62.300 -0.247 0.000 1.117 232 V CB -0.765 30.922 31.823 -0.227 0.000 0.820 232 V HN 0.263 nan 8.190 nan 0.000 0.490 233 V N 1.139 120.986 119.914 -0.112 0.000 2.277 233 V HA -0.235 3.882 4.120 -0.005 0.000 0.253 233 V C 0.042 176.097 176.094 -0.065 0.000 1.067 233 V CA 2.958 65.217 62.300 -0.069 0.000 1.047 233 V CB -2.101 29.688 31.823 -0.056 0.000 0.649 233 V HN 0.468 nan 8.190 nan 0.000 0.447 234 P HA -0.230 nan 4.420 nan 0.000 0.214 234 P C 1.751 179.022 177.300 -0.049 0.000 1.169 234 P CA 2.405 65.469 63.100 -0.060 0.000 0.908 234 P CB -0.243 31.418 31.700 -0.065 0.000 0.791 235 A N -0.501 122.287 122.820 -0.053 0.000 1.933 235 A HA -0.214 4.104 4.320 -0.005 0.000 0.218 235 A C 2.248 179.811 177.584 -0.035 0.000 1.175 235 A CA 1.516 53.529 52.037 -0.040 0.000 0.628 235 A CB -1.037 17.940 19.000 -0.039 0.000 0.814 235 A HN 0.071 nan 8.150 nan 0.000 0.444 236 R N -1.317 119.160 120.500 -0.040 0.000 2.115 236 R HA -0.054 4.284 4.340 -0.005 0.000 0.230 236 R C 2.105 178.388 176.300 -0.028 0.000 1.111 236 R CA 1.292 57.371 56.100 -0.035 0.000 0.976 236 R CB -0.311 29.966 30.300 -0.039 0.000 0.870 236 R HN 0.422 nan 8.270 nan 0.000 0.445 237 M N 0.235 119.820 119.600 -0.025 0.000 2.065 237 M HA -0.124 4.354 4.480 -0.005 0.000 0.259 237 M C 2.490 178.784 176.300 -0.010 0.000 1.069 237 M CA 1.727 57.019 55.300 -0.013 0.000 1.110 237 M CB -1.091 31.500 32.600 -0.016 0.000 1.328 237 M HN 0.167 nan 8.290 nan 0.000 0.405 238 A N -0.248 122.561 122.820 -0.018 0.000 1.908 238 A HA -0.231 4.087 4.320 -0.005 0.000 0.218 238 A C 2.138 179.712 177.584 -0.017 0.000 1.181 238 A CA 2.173 54.199 52.037 -0.018 0.000 0.627 238 A CB -0.845 18.142 19.000 -0.021 0.000 0.818 238 A HN 0.638 nan 8.150 nan 0.000 0.445 239 E N -1.419 118.770 120.200 -0.018 0.000 2.152 239 E HA -0.186 4.162 4.350 -0.005 0.000 0.192 239 E C 1.911 178.506 176.600 -0.007 0.000 0.983 239 E CA 1.290 57.681 56.400 -0.015 0.000 0.818 239 E CB -0.168 29.521 29.700 -0.019 0.000 0.758 239 E HN 0.465 nan 8.360 nan 0.000 0.467 240 M N 1.076 120.673 119.600 -0.005 0.000 2.086 240 M HA -0.046 4.432 4.480 -0.005 0.000 0.261 240 M C 2.056 178.380 176.300 0.040 0.000 1.067 240 M CA 1.935 57.248 55.300 0.022 0.000 1.116 240 M CB -0.598 32.009 32.600 0.011 0.000 1.348 240 M HN 0.168 nan 8.290 nan 0.000 0.407 241 A N 0.039 122.867 122.820 0.013 0.000 1.940 241 A HA -0.186 4.131 4.320 -0.005 0.000 0.219 241 A C 2.380 179.937 177.584 -0.046 0.000 1.176 241 A CA 1.832 53.861 52.037 -0.013 0.000 0.631 241 A CB -0.804 18.187 19.000 -0.016 0.000 0.814 241 A HN 0.543 nan 8.150 nan 0.000 0.446 242 R N -0.182 120.297 120.500 -0.034 0.000 2.148 242 R HA -0.098 4.239 4.340 -0.005 0.000 0.227 242 R C 1.946 178.213 176.300 -0.055 0.000 1.103 242 R CA 1.706 57.779 56.100 -0.047 0.000 0.983 242 R CB -0.982 29.298 30.300 -0.032 0.000 0.874 242 R HN 0.586 nan 8.270 nan 0.000 0.451 243 C N -0.009 119.281 119.300 -0.018 0.000 2.457 243 C HA 0.065 4.522 4.460 -0.005 0.000 0.278 243 C C 2.702 177.621 174.990 -0.118 0.000 1.309 243 C CA 0.146 59.169 59.018 0.007 0.000 1.735 243 C CB -0.743 27.091 27.740 0.155 0.000 1.992 243 C HN 0.423 nan 8.230 nan 0.000 0.493 244 I N 0.637 121.134 120.570 -0.123 0.000 2.202 244 I HA -0.191 3.976 4.170 -0.005 0.000 0.242 244 I C 2.872 178.776 176.117 -0.354 0.000 1.091 244 I CA 1.386 62.473 61.300 -0.355 0.000 1.368 244 I CB -0.639 37.113 38.000 -0.412 0.000 1.058 244 I HN 0.313 nan 8.210 nan 0.000 0.410 245 R N 1.586 121.959 120.500 -0.211 0.000 2.094 245 R HA -0.226 4.111 4.340 -0.005 0.000 0.239 245 R C 1.542 177.792 176.300 -0.084 0.000 1.137 245 R CA 2.092 58.118 56.100 -0.122 0.000 0.943 245 R CB -0.215 30.007 30.300 -0.130 0.000 0.850 245 R HN 0.434 nan 8.270 nan 0.000 0.433 246 E N 0.186 120.273 120.200 -0.189 0.000 2.445 246 E HA 0.038 4.385 4.350 -0.005 0.000 0.189 246 E C -0.251 176.115 176.600 -0.390 0.000 1.069 246 E CA -0.191 56.079 56.400 -0.217 0.000 0.871 246 E CB 0.155 29.776 29.700 -0.132 0.000 0.991 246 E HN 0.246 nan 8.360 nan 0.000 0.481 247 R N 1.603 121.645 120.500 -0.763 0.000 3.387 247 R HA -0.174 4.164 4.340 -0.005 0.000 0.254 247 R C -0.393 175.592 176.300 -0.524 0.000 1.006 247 R CA 0.627 55.861 56.100 -1.444 0.000 0.677 247 R CB -1.383 28.098 30.300 -1.365 0.000 1.063 247 R HN 0.153 nan 8.270 nan 0.000 0.453 248 D N 0.003 120.271 120.400 -0.219 0.000 2.517 248 D HA 0.010 4.647 4.640 -0.005 0.000 0.220 248 D C 0.719 177.231 176.300 0.355 0.000 1.158 248 D CA -0.368 53.686 54.000 0.090 0.000 0.992 248 D CB 0.003 40.824 40.800 0.035 0.000 1.058 248 D HN 0.142 nan 8.370 nan 0.000 0.516 249 F N 5.061 125.281 119.950 0.450 0.000 2.025 249 F HA -0.120 4.405 4.527 -0.004 0.000 0.297 249 F C -0.751 175.253 175.800 0.340 0.000 1.132 249 F CA 1.467 59.746 58.000 0.464 0.000 1.191 249 F CB -0.960 38.216 39.000 0.294 0.000 0.963 249 F HN 0.316 nan 8.300 nan 0.000 0.481 250 P HA -0.186 nan 4.420 nan 0.000 0.217 250 P C 1.678 178.967 177.300 -0.019 0.000 1.151 250 P CA 2.289 65.437 63.100 0.080 0.000 0.849 250 P CB -0.173 31.629 31.700 0.170 0.000 0.787 251 S N -0.976 114.747 115.700 0.037 0.000 2.395 251 S HA -0.056 4.411 4.470 -0.005 0.000 0.225 251 S C 1.591 176.173 174.600 -0.031 0.000 1.027 251 S CA 0.521 58.727 58.200 0.009 0.000 0.965 251 S CB -1.065 62.158 63.200 0.039 0.000 0.812 251 S HN 0.164 nan 8.310 nan 0.000 0.482 252 F N 2.745 122.606 119.950 -0.149 0.000 2.171 252 F HA -0.074 4.450 4.527 -0.004 0.000 0.300 252 F C 2.157 177.737 175.800 -0.367 0.000 1.090 252 F CA 1.099 58.984 58.000 -0.191 0.000 1.293 252 F CB -0.497 38.473 39.000 -0.051 0.000 1.013 252 F HN 0.175 nan 8.300 nan 0.000 0.486 253 A N 0.333 122.845 122.820 -0.513 0.000 1.872 253 A HA -0.162 4.156 4.320 -0.005 0.000 0.214 253 A C 2.171 179.493 177.584 -0.438 0.000 1.187 253 A CA 1.567 53.231 52.037 -0.623 0.000 0.614 253 A CB -0.844 17.777 19.000 -0.632 0.000 0.826 253 A HN 0.583 nan 8.150 nan 0.000 0.442 254 Q N -0.542 119.096 119.800 -0.270 0.000 2.050 254 Q HA -0.106 4.231 4.340 -0.005 0.000 0.202 254 Q C 2.182 178.066 176.000 -0.194 0.000 0.980 254 Q CA 1.324 57.026 55.803 -0.169 0.000 0.840 254 Q CB -0.336 28.360 28.738 -0.070 0.000 0.898 254 Q HN 0.653 nan 8.270 nan 0.000 0.424 255 L N 0.456 121.547 121.223 -0.221 0.000 2.017 255 L HA -0.205 4.133 4.340 -0.005 0.000 0.208 255 L C 2.246 178.955 176.870 -0.268 0.000 1.073 255 L CA 1.433 56.153 54.840 -0.201 0.000 0.745 255 L CB -0.468 41.477 42.059 -0.189 0.000 0.894 255 L HN 0.320 nan 8.230 nan 0.000 0.432 256 T N -0.167 114.109 114.554 -0.463 0.000 2.684 256 T HA -0.271 4.076 4.350 -0.005 0.000 0.267 256 T C 1.856 176.373 174.700 -0.305 0.000 1.036 256 T CA 1.814 63.624 62.100 -0.484 0.000 1.148 256 T CB -0.174 68.208 68.868 -0.810 0.000 0.863 256 T HN 0.286 nan 8.240 nan 0.000 0.436 257 M N 0.370 119.752 119.600 -0.364 0.000 2.132 257 M HA -0.057 4.420 4.480 -0.005 0.000 0.263 257 M C 2.354 178.602 176.300 -0.088 0.000 1.065 257 M CA 1.570 56.642 55.300 -0.381 0.000 1.122 257 M CB -0.319 31.906 32.600 -0.625 0.000 1.365 257 M HN 0.121 nan 8.290 nan 0.000 0.411 258 K N 0.034 120.396 120.400 -0.065 0.000 2.097 258 K HA -0.179 4.138 4.320 -0.005 0.000 0.206 258 K C 1.477 178.104 176.600 0.045 0.000 1.049 258 K CA 1.471 57.770 56.287 0.020 0.000 0.933 258 K CB -0.143 32.358 32.500 0.002 0.000 0.717 258 K HN 0.199 nan 8.250 nan 0.000 0.442 259 D N -0.281 120.123 120.400 0.006 0.000 2.194 259 D HA -0.074 4.563 4.640 -0.005 0.000 0.204 259 D C 1.900 178.278 176.300 0.130 0.000 0.964 259 D CA 0.695 54.721 54.000 0.044 0.000 0.846 259 D CB 0.107 40.903 40.800 -0.008 0.000 0.962 259 D HN -0.037 nan 8.370 nan 0.000 0.490 260 S N -0.325 115.468 115.700 0.155 0.000 2.368 260 S HA -0.141 4.327 4.470 -0.005 0.000 0.225 260 S C 1.789 176.614 174.600 0.374 0.000 1.030 260 S CA 1.107 59.507 58.200 0.333 0.000 0.999 260 S CB -0.260 63.171 63.200 0.385 0.000 0.844 260 S HN 0.227 nan 8.310 nan 0.000 0.459 261 N N 1.192 120.044 118.700 0.254 0.000 2.166 261 N HA -0.100 4.637 4.740 -0.005 0.000 0.186 261 N C 1.822 177.419 175.510 0.146 0.000 1.019 261 N CA 1.043 54.208 53.050 0.192 0.000 0.856 261 N CB -0.577 38.026 38.487 0.193 0.000 0.993 261 N HN 0.631 nan 8.380 nan 0.000 0.426 262 Q N -0.463 119.421 119.800 0.140 0.000 2.123 262 Q HA -0.092 4.246 4.340 -0.005 0.000 0.199 262 Q C 1.846 177.904 176.000 0.097 0.000 0.966 262 Q CA 0.703 56.575 55.803 0.115 0.000 0.845 262 Q CB -0.106 28.700 28.738 0.113 0.000 0.907 262 Q HN 0.306 nan 8.270 nan 0.000 0.439 263 F N 0.940 120.851 119.950 -0.065 0.000 2.069 263 F HA -0.254 4.271 4.527 -0.004 0.000 0.298 263 F C 1.901 177.464 175.800 -0.395 0.000 1.113 263 F CA 1.899 59.738 58.000 -0.268 0.000 1.214 263 F CB -0.754 38.030 39.000 -0.359 0.000 0.978 263 F HN 0.198 nan 8.300 nan 0.000 0.474 264 H N 0.012 118.695 119.070 -0.646 0.000 2.491 264 H HA 0.063 4.616 4.556 -0.005 0.000 0.290 264 H C 2.307 177.443 175.328 -0.321 0.000 1.050 264 H CA 1.042 56.679 56.048 -0.686 0.000 1.309 264 H CB -0.509 28.961 29.762 -0.486 0.000 1.392 264 H HN 0.445 nan 8.280 nan 0.000 0.554 265 A N 0.920 123.693 122.820 -0.079 0.000 1.872 265 A HA -0.146 4.171 4.320 -0.005 0.000 0.214 265 A C 2.679 180.260 177.584 -0.005 0.000 1.187 265 A CA 2.001 54.039 52.037 0.002 0.000 0.614 265 A CB -0.852 18.183 19.000 0.059 0.000 0.826 265 A HN 0.522 nan 8.150 nan 0.000 0.442 266 T N -3.395 111.158 114.554 -0.001 0.000 2.962 266 T HA -0.153 4.194 4.350 -0.005 0.000 0.270 266 T C 1.784 176.525 174.700 0.069 0.000 1.088 266 T CA 1.465 63.612 62.100 0.078 0.000 1.127 266 T CB -1.058 67.916 68.868 0.178 0.000 0.883 266 T HN 0.365 nan 8.240 nan 0.000 0.493 267 C N 0.710 119.951 119.300 -0.098 0.000 2.440 267 C HA 0.206 4.663 4.460 -0.005 0.000 0.278 267 C C 2.484 177.446 174.990 -0.048 0.000 1.295 267 C CA 0.308 59.271 59.018 -0.093 0.000 1.738 267 C CB -1.315 26.188 27.740 -0.395 0.000 1.987 267 C HN 0.581 nan 8.230 nan 0.000 0.492 268 L N 1.413 122.603 121.223 -0.056 0.000 2.313 268 L HA 0.039 4.376 4.340 -0.005 0.000 0.214 268 L C 1.592 178.482 176.870 0.034 0.000 1.119 268 L CA 1.980 56.809 54.840 -0.018 0.000 0.809 268 L CB -1.057 40.997 42.059 -0.007 0.000 0.933 268 L HN 0.293 nan 8.230 nan 0.000 0.449 269 D N -1.202 119.232 120.400 0.056 0.000 2.349 269 D HA -0.039 4.598 4.640 -0.005 0.000 0.224 269 D C 0.289 176.662 176.300 0.121 0.000 1.029 269 D CA 0.207 54.259 54.000 0.086 0.000 0.879 269 D CB 0.116 40.968 40.800 0.087 0.000 0.906 269 D HN 0.273 nan 8.370 nan 0.000 0.528 270 T N -0.070 114.555 114.554 0.119 0.000 2.904 270 T HA 0.259 4.607 4.350 -0.005 0.000 0.290 270 T C -0.663 174.143 174.700 0.177 0.000 1.018 270 T CA -0.251 61.936 62.100 0.146 0.000 1.075 270 T CB 0.866 69.814 68.868 0.133 0.000 0.986 270 T HN -0.010 nan 8.240 nan 0.000 0.523 271 F N 3.297 123.265 119.950 0.029 0.000 2.496 271 F HA 0.462 4.988 4.527 -0.002 0.000 0.341 271 F C -2.357 173.452 175.800 0.015 0.000 1.134 271 F CA -2.345 55.665 58.000 0.017 0.000 0.968 271 F CB 1.105 40.114 39.000 0.014 0.000 1.205 271 F HN 0.372 nan 8.300 nan 0.000 0.436 272 P HA 0.220 nan 4.420 nan 0.000 0.272 272 P C -2.669 174.495 177.300 -0.227 0.000 1.240 272 P CA -0.881 61.832 63.100 -0.644 0.000 0.791 272 P CB 0.063 31.472 31.700 -0.484 0.000 0.978 273 P HA 0.190 nan 4.420 nan 0.000 0.275 273 P C -0.671 176.563 177.300 -0.110 0.000 1.228 273 P CA 0.321 63.378 63.100 -0.072 0.000 0.786 273 P CB 0.751 32.424 31.700 -0.045 0.000 0.927 274 I N 1.130 121.625 120.570 -0.125 0.000 2.441 274 I HA 0.274 4.441 4.170 -0.005 0.000 0.295 274 I C 0.525 176.437 176.117 -0.342 0.000 0.994 274 I CA -0.451 60.701 61.300 -0.247 0.000 1.144 274 I CB 1.823 39.674 38.000 -0.248 0.000 1.314 274 I HN 0.265 nan 8.210 nan 0.000 0.445 275 S N 4.645 120.105 115.700 -0.401 0.000 2.659 275 S HA 0.476 4.943 4.470 -0.005 0.000 0.312 275 S C -0.184 174.228 174.600 -0.312 0.000 1.114 275 S CA -0.340 57.686 58.200 -0.290 0.000 1.063 275 S CB 0.550 63.672 63.200 -0.130 0.000 0.996 275 S HN 0.547 nan 8.310 nan 0.000 0.478 276 Y N 3.299 123.582 120.300 -0.028 0.000 2.607 276 Y HA 0.398 4.946 4.550 -0.004 0.000 0.276 276 Y C 0.508 176.336 175.900 -0.120 0.000 1.117 276 Y CA -0.464 57.626 58.100 -0.018 0.000 1.273 276 Y CB 0.421 38.929 38.460 0.081 0.000 1.282 276 Y HN 0.388 nan 8.280 nan 0.000 0.514 277 L N 3.029 124.172 121.223 -0.134 0.000 2.367 277 L HA 0.133 4.470 4.340 -0.005 0.000 0.275 277 L C -0.202 176.585 176.870 -0.138 0.000 1.129 277 L CA -0.488 54.121 54.840 -0.384 0.000 0.839 277 L CB 0.162 41.732 42.059 -0.814 0.000 1.133 277 L HN 0.325 nan 8.230 nan 0.000 0.453 278 N N 2.489 121.124 118.700 -0.108 0.000 2.813 278 N HA 0.408 5.146 4.740 -0.005 0.000 0.320 278 N C 0.605 176.171 175.510 0.093 0.000 1.315 278 N CA -0.266 52.797 53.050 0.022 0.000 0.871 278 N CB 0.739 39.239 38.487 0.021 0.000 1.241 278 N HN 0.446 nan 8.380 nan 0.000 0.602 279 A N -0.096 122.796 122.820 0.120 0.000 1.908 279 A HA -0.097 4.220 4.320 -0.005 0.000 0.218 279 A C 1.933 179.614 177.584 0.161 0.000 1.181 279 A CA 1.405 53.538 52.037 0.160 0.000 0.627 279 A CB -0.920 18.146 19.000 0.110 0.000 0.818 279 A HN 0.610 nan 8.150 nan 0.000 0.445 280 I N 0.166 120.798 120.570 0.103 0.000 2.315 280 I HA -0.138 4.029 4.170 -0.005 0.000 0.248 280 I C 2.526 178.658 176.117 0.025 0.000 1.117 280 I CA 1.499 62.857 61.300 0.098 0.000 1.404 280 I CB -1.702 36.290 38.000 -0.012 0.000 1.071 280 I HN 0.208 nan 8.210 nan 0.000 0.419 281 S N 0.132 115.794 115.700 -0.063 0.000 2.359 281 S HA -0.222 4.245 4.470 -0.005 0.000 0.224 281 S C 1.785 176.150 174.600 -0.391 0.000 1.035 281 S CA 1.546 59.601 58.200 -0.242 0.000 1.018 281 S CB -0.454 62.355 63.200 -0.652 0.000 0.876 281 S HN 0.487 nan 8.310 nan 0.000 0.448 282 W N 1.733 122.866 121.300 -0.279 0.000 2.388 282 W HA 0.019 4.676 4.660 -0.004 0.000 0.294 282 W C 2.645 178.984 176.519 -0.301 0.000 1.212 282 W CA 0.453 57.570 57.345 -0.380 0.000 1.271 282 W CB -0.165 29.112 29.460 -0.305 0.000 1.126 282 W HN 0.183 nan 8.180 nan 0.000 0.535 283 R N -0.067 120.559 120.500 0.210 0.000 2.081 283 R HA -0.142 4.195 4.340 -0.005 0.000 0.235 283 R C 1.967 178.468 176.300 0.335 0.000 1.131 283 R CA 1.642 57.941 56.100 0.332 0.000 0.960 283 R CB -0.751 29.817 30.300 0.447 0.000 0.856 283 R HN 0.260 nan 8.270 nan 0.000 0.436 284 I N 0.623 121.346 120.570 0.255 0.000 2.226 284 I HA -0.291 3.876 4.170 -0.005 0.000 0.245 284 I C 2.258 178.433 176.117 0.098 0.000 1.100 284 I CA 1.339 62.765 61.300 0.210 0.000 1.374 284 I CB -0.235 37.814 38.000 0.081 0.000 1.057 284 I HN 0.143 nan 8.210 nan 0.000 0.413 285 I N 0.057 120.531 120.570 -0.160 0.000 2.127 285 I HA -0.347 3.820 4.170 -0.005 0.000 0.241 285 I C 2.666 178.808 176.117 0.042 0.000 1.075 285 I CA 1.408 62.443 61.300 -0.440 0.000 1.334 285 I CB -0.715 36.833 38.000 -0.754 0.000 1.040 285 I HN 0.311 nan 8.210 nan 0.000 0.405 286 H N 0.178 119.386 119.070 0.229 0.000 2.352 286 H HA -0.178 4.375 4.556 -0.005 0.000 0.299 286 H C 2.051 177.554 175.328 0.292 0.000 1.097 286 H CA 1.480 57.710 56.048 0.303 0.000 1.311 286 H CB -0.620 29.293 29.762 0.252 0.000 1.377 286 H HN 0.236 nan 8.280 nan 0.000 0.504 287 L N 0.565 122.023 121.223 0.391 0.000 2.013 287 L HA -0.151 4.187 4.340 -0.005 0.000 0.212 287 L C 2.378 179.511 176.870 0.439 0.000 1.073 287 L CA 1.218 56.281 54.840 0.372 0.000 0.753 287 L CB -0.787 41.483 42.059 0.351 0.000 0.890 287 L HN -0.005 nan 8.230 nan 0.000 0.432 288 V N -0.372 119.779 119.914 0.395 0.000 2.295 288 V HA -0.319 3.799 4.120 -0.005 0.000 0.246 288 V C 2.615 178.900 176.094 0.317 0.000 1.049 288 V CA 2.036 64.543 62.300 0.346 0.000 1.024 288 V CB -0.986 30.994 31.823 0.262 0.000 0.648 288 V HN 0.576 nan 8.190 nan 0.000 0.447 289 H N -0.221 119.103 119.070 0.423 0.000 2.387 289 H HA -0.082 4.471 4.556 -0.004 0.000 0.299 289 H C 2.562 178.077 175.328 0.311 0.000 1.090 289 H CA 1.676 57.935 56.048 0.351 0.000 1.332 289 H CB -0.057 29.908 29.762 0.339 0.000 1.386 289 H HN 0.249 nan 8.280 nan 0.000 0.516 290 R N -0.066 120.691 120.500 0.428 0.000 2.075 290 R HA -0.076 4.261 4.340 -0.005 0.000 0.232 290 R C 2.192 178.685 176.300 0.322 0.000 1.126 290 R CA 0.809 57.101 56.100 0.321 0.000 0.963 290 R CB -0.744 29.722 30.300 0.276 0.000 0.858 290 R HN 0.181 nan 8.270 nan 0.000 0.435 291 F N 1.514 121.607 119.950 0.239 0.000 2.069 291 F HA -0.252 4.272 4.527 -0.005 0.000 0.298 291 F C 1.737 177.676 175.800 0.231 0.000 1.113 291 F CA 1.693 59.827 58.000 0.223 0.000 1.214 291 F CB -0.246 38.977 39.000 0.372 0.000 0.978 291 F HN 0.051 nan 8.300 nan 0.000 0.474 292 N N 0.711 119.683 118.700 0.453 0.000 2.120 292 N HA -0.171 4.566 4.740 -0.005 0.000 0.188 292 N C 2.000 177.639 175.510 0.215 0.000 1.024 292 N CA 1.513 54.767 53.050 0.340 0.000 0.852 292 N CB -0.945 37.747 38.487 0.342 0.000 1.003 292 N HN 0.413 nan 8.380 nan 0.000 0.424 293 A N 0.975 123.921 122.820 0.211 0.000 1.933 293 A HA -0.205 4.112 4.320 -0.005 0.000 0.218 293 A C 2.099 179.727 177.584 0.074 0.000 1.175 293 A CA 1.438 53.561 52.037 0.144 0.000 0.628 293 A CB -0.929 18.165 19.000 0.156 0.000 0.814 293 A HN 0.474 nan 8.150 nan 0.000 0.444 294 H N -0.918 118.110 119.070 -0.071 0.000 2.353 294 H HA -0.144 4.409 4.556 -0.005 0.000 0.300 294 H C 1.614 176.820 175.328 -0.203 0.000 1.090 294 H CA 2.011 57.945 56.048 -0.191 0.000 1.327 294 H CB -0.142 29.401 29.762 -0.365 0.000 1.383 294 H HN 0.753 nan 8.280 nan 0.000 0.508 295 H N -0.997 118.021 119.070 -0.086 0.000 2.551 295 H HA 0.113 4.667 4.556 -0.005 0.000 0.266 295 H C 1.176 176.464 175.328 -0.067 0.000 0.977 295 H CA 0.179 56.153 56.048 -0.123 0.000 1.163 295 H CB 0.356 30.056 29.762 -0.103 0.000 1.381 295 H HN 0.596 nan 8.280 nan 0.000 0.581 296 G N 1.497 110.339 108.800 0.070 0.000 2.295 296 G HA2 -0.265 3.693 3.960 -0.005 0.000 0.287 296 G HA3 -0.265 3.693 3.960 -0.005 0.000 0.287 296 G C -0.707 174.251 174.900 0.097 0.000 1.055 296 G CA 0.716 45.854 45.100 0.063 0.000 0.922 296 G HN 0.540 nan 8.290 nan 0.000 0.503 297 D N -1.807 118.679 120.400 0.142 0.000 2.766 297 D HA 0.378 5.015 4.640 -0.005 0.000 0.244 297 D C -0.140 176.286 176.300 0.209 0.000 1.198 297 D CA 0.131 54.223 54.000 0.154 0.000 0.739 297 D CB 0.137 41.019 40.800 0.135 0.000 1.379 297 D HN 0.044 nan 8.370 nan 0.000 0.437 298 T N 2.881 117.562 114.554 0.211 0.000 2.776 298 T HA 0.288 4.635 4.350 -0.005 0.000 0.292 298 T C 0.961 175.883 174.700 0.370 0.000 0.921 298 T CA -0.172 62.075 62.100 0.246 0.000 1.038 298 T CB 0.564 69.527 68.868 0.158 0.000 0.910 298 T HN 0.226 nan 8.240 nan 0.000 0.536 299 K N 1.487 122.130 120.400 0.405 0.000 2.360 299 K HA 0.316 4.633 4.320 -0.005 0.000 0.196 299 K C 0.155 177.024 176.600 0.448 0.000 1.049 299 K CA 0.027 56.566 56.287 0.419 0.000 1.049 299 K CB 0.864 33.565 32.500 0.335 0.000 0.881 299 K HN 0.310 nan 8.250 nan 0.000 0.542 300 V N 0.732 120.865 119.914 0.364 0.000 3.007 300 V HA 0.703 4.821 4.120 -0.005 0.000 0.311 300 V C -1.260 174.875 176.094 0.069 0.000 1.120 300 V CA -1.150 61.218 62.300 0.113 0.000 0.980 300 V CB 1.919 33.488 31.823 -0.423 0.000 1.033 300 V HN 0.169 nan 8.190 nan 0.000 0.429 301 A N 2.302 125.140 122.820 0.030 0.000 2.539 301 A HA 0.980 5.297 4.320 -0.005 0.000 0.296 301 A C -1.622 175.934 177.584 -0.047 0.000 1.073 301 A CA -0.560 51.404 52.037 -0.123 0.000 0.700 301 A CB 1.900 20.786 19.000 -0.190 0.000 1.296 301 A HN 1.331 nan 8.150 nan 0.000 0.405 302 Y N -1.225 119.063 120.300 -0.020 0.000 2.562 302 Y HA 0.916 5.463 4.550 -0.005 0.000 0.343 302 Y C -0.205 175.697 175.900 0.003 0.000 1.025 302 Y CA -1.018 57.055 58.100 -0.046 0.000 1.082 302 Y CB 1.661 40.105 38.460 -0.026 0.000 1.264 302 Y HN 0.781 nan 8.280 nan 0.000 0.478 303 T N 2.193 116.827 114.554 0.134 0.000 3.012 303 T HA 0.650 4.997 4.350 -0.005 0.000 0.330 303 T C -2.242 172.459 174.700 0.002 0.000 1.321 303 T CA -0.570 61.647 62.100 0.194 0.000 1.067 303 T CB 0.450 69.402 68.868 0.139 0.000 1.235 303 T HN 0.507 nan 8.240 nan 0.000 0.479 304 F N 2.775 122.837 119.950 0.187 0.000 2.520 304 F HA 0.559 5.084 4.527 -0.004 0.000 0.322 304 F C 0.655 176.666 175.800 0.352 0.000 1.103 304 F CA -0.799 57.290 58.000 0.148 0.000 0.926 304 F CB 1.865 40.804 39.000 -0.102 0.000 1.154 304 F HN 0.489 nan 8.300 nan 0.000 0.453 305 D N 0.848 121.444 120.400 0.327 0.000 2.481 305 D HA 0.362 5.000 4.640 -0.005 0.000 0.283 305 D C 0.194 176.598 176.300 0.172 0.000 1.192 305 D CA -0.334 53.788 54.000 0.204 0.000 1.100 305 D CB 0.438 41.252 40.800 0.024 0.000 1.166 305 D HN 0.469 nan 8.370 nan 0.000 0.584 306 A N -0.173 122.552 122.820 -0.158 0.000 3.029 306 A HA 0.524 4.841 4.320 -0.005 0.000 0.251 306 A C 0.492 177.675 177.584 -0.668 0.000 1.749 306 A CA 0.534 52.063 52.037 -0.846 0.000 1.386 306 A CB -1.084 17.553 19.000 -0.605 0.000 1.043 306 A HN 0.439 nan 8.150 nan 0.000 0.638 307 G N -0.276 108.396 108.800 -0.213 0.000 2.451 307 G HA2 0.501 4.459 3.960 -0.005 0.000 0.292 307 G HA3 0.501 4.459 3.960 -0.005 0.000 0.292 307 G C -2.718 172.258 174.900 0.127 0.000 1.427 307 G CA -0.275 44.840 45.100 0.025 0.000 0.792 307 G HN -0.097 nan 8.290 nan 0.000 0.498 308 P HA 0.065 nan 4.420 nan 0.000 0.245 308 P C 0.076 177.472 177.300 0.159 0.000 1.206 308 P CA -0.063 63.098 63.100 0.101 0.000 0.781 308 P CB 0.170 31.891 31.700 0.035 0.000 0.994 309 N N 1.365 120.097 118.700 0.054 0.000 2.458 309 N HA 0.222 4.959 4.740 -0.005 0.000 0.258 309 N C 0.097 175.467 175.510 -0.233 0.000 1.219 309 N CA 0.272 53.275 53.050 -0.079 0.000 0.902 309 N CB 0.199 38.612 38.487 -0.122 0.000 1.076 309 N HN 0.078 nan 8.380 nan 0.000 0.455 310 A N 1.944 124.521 122.820 -0.404 0.000 2.292 310 A HA 0.517 4.834 4.320 -0.005 0.000 0.319 310 A C -0.403 176.873 177.584 -0.513 0.000 1.206 310 A CA -0.635 50.911 52.037 -0.818 0.000 0.835 310 A CB 0.631 19.241 19.000 -0.651 0.000 1.164 310 A HN 0.414 nan 8.150 nan 0.000 0.505 311 V N 4.777 124.386 119.914 -0.509 0.000 2.370 311 V HA 0.306 4.423 4.120 -0.005 0.000 0.283 311 V C -0.356 175.593 176.094 -0.242 0.000 1.023 311 V CA -0.455 61.655 62.300 -0.316 0.000 0.857 311 V CB 1.103 32.797 31.823 -0.216 0.000 0.985 311 V HN 0.695 nan 8.190 nan 0.000 0.443 312 I N 5.078 125.503 120.570 -0.241 0.000 2.412 312 I HA 0.493 4.660 4.170 -0.005 0.000 0.296 312 I C -0.427 175.542 176.117 -0.246 0.000 0.987 312 I CA -0.418 60.793 61.300 -0.148 0.000 1.180 312 I CB 1.446 39.394 38.000 -0.087 0.000 1.340 312 I HN 0.390 nan 8.210 nan 0.000 0.455 313 F N 3.240 123.188 119.950 -0.003 0.000 2.469 313 F HA 0.617 5.141 4.527 -0.005 0.000 0.332 313 F C 0.572 176.500 175.800 0.214 0.000 1.103 313 F CA -0.292 57.794 58.000 0.143 0.000 0.979 313 F CB 2.093 41.306 39.000 0.355 0.000 1.137 313 F HN 0.368 nan 8.300 nan 0.000 0.463 314 T N 3.501 118.162 114.554 0.179 0.000 2.827 314 T HA 0.483 4.830 4.350 -0.005 0.000 0.328 314 T C -1.082 173.332 174.700 -0.477 0.000 1.598 314 T CA -0.687 61.298 62.100 -0.192 0.000 1.043 314 T CB 0.799 69.550 68.868 -0.193 0.000 1.447 314 T HN 0.432 nan 8.240 nan 0.000 0.491 315 L N 2.453 123.224 121.223 -0.754 0.000 2.453 315 L HA 0.303 4.640 4.340 -0.005 0.000 0.261 315 L C 1.703 178.409 176.870 -0.274 0.000 1.179 315 L CA -0.207 54.310 54.840 -0.538 0.000 0.813 315 L CB 0.457 42.207 42.059 -0.515 0.000 1.110 315 L HN 0.888 nan 8.230 nan 0.000 0.466 316 D N 0.637 120.920 120.400 -0.195 0.000 2.133 316 D HA -0.263 4.374 4.640 -0.005 0.000 0.195 316 D C 1.430 177.685 176.300 -0.074 0.000 0.997 316 D CA 1.979 55.912 54.000 -0.112 0.000 0.840 316 D CB 0.139 40.890 40.800 -0.080 0.000 0.947 316 D HN 0.758 nan 8.370 nan 0.000 0.452 317 D N -1.782 118.573 120.400 -0.076 0.000 2.378 317 D HA -0.103 4.534 4.640 -0.005 0.000 0.222 317 D C 1.495 177.786 176.300 -0.015 0.000 0.980 317 D CA 1.329 55.305 54.000 -0.040 0.000 0.907 317 D CB -0.271 40.505 40.800 -0.040 0.000 0.899 317 D HN 0.255 nan 8.370 nan 0.000 0.527 318 T N -2.008 112.533 114.554 -0.021 0.000 3.043 318 T HA 0.115 4.462 4.350 -0.005 0.000 0.272 318 T C 1.699 176.462 174.700 0.104 0.000 0.990 318 T CA 0.252 62.391 62.100 0.065 0.000 0.897 318 T CB -0.100 68.819 68.868 0.085 0.000 1.111 318 T HN 0.117 nan 8.240 nan 0.000 0.529 319 V N 0.933 120.872 119.914 0.042 0.000 2.295 319 V HA 0.136 4.254 4.120 -0.005 0.000 0.246 319 V C 2.913 179.074 176.094 0.112 0.000 1.049 319 V CA 1.708 64.049 62.300 0.069 0.000 1.024 319 V CB -1.843 29.987 31.823 0.012 0.000 0.648 319 V HN 0.487 nan 8.190 nan 0.000 0.447 320 A N 0.594 123.466 122.820 0.086 0.000 1.873 320 A HA -0.329 3.988 4.320 -0.005 0.000 0.218 320 A C 2.377 180.033 177.584 0.121 0.000 1.193 320 A CA 2.528 54.617 52.037 0.086 0.000 0.629 320 A CB -0.885 18.151 19.000 0.061 0.000 0.826 320 A HN 0.788 nan 8.150 nan 0.000 0.447 321 E N -1.799 118.507 120.200 0.177 0.000 2.072 321 E HA -0.191 4.157 4.350 -0.005 0.000 0.191 321 E C 1.793 178.549 176.600 0.260 0.000 0.985 321 E CA 1.229 57.786 56.400 0.261 0.000 0.801 321 E CB -0.254 29.688 29.700 0.403 0.000 0.750 321 E HN 0.564 nan 8.360 nan 0.000 0.452 322 F N 0.665 120.625 119.950 0.017 0.000 2.186 322 F HA -0.110 4.414 4.527 -0.005 0.000 0.299 322 F C 2.011 177.779 175.800 -0.052 0.000 1.090 322 F CA 0.814 58.664 58.000 -0.251 0.000 1.307 322 F CB -0.199 38.568 39.000 -0.388 0.000 1.019 322 F HN -0.111 nan 8.300 nan 0.000 0.489 323 V N 0.231 120.155 119.914 0.016 0.000 2.343 323 V HA -0.308 3.809 4.120 -0.005 0.000 0.247 323 V C 2.698 178.861 176.094 0.114 0.000 1.051 323 V CA 1.820 64.139 62.300 0.031 0.000 1.036 323 V CB -1.360 30.527 31.823 0.108 0.000 0.654 323 V HN 0.432 nan 8.190 nan 0.000 0.451 324 A N -0.335 122.549 122.820 0.105 0.000 1.972 324 A HA -0.080 4.237 4.320 -0.005 0.000 0.219 324 A C 2.373 180.033 177.584 0.126 0.000 1.169 324 A CA 1.924 54.030 52.037 0.115 0.000 0.635 324 A CB -0.592 18.433 19.000 0.041 0.000 0.810 324 A HN 0.574 nan 8.150 nan 0.000 0.446 325 A N -0.598 122.229 122.820 0.012 0.000 1.898 325 A HA 0.056 4.373 4.320 -0.005 0.000 0.216 325 A C 2.191 179.780 177.584 0.008 0.000 1.181 325 A CA 1.625 53.658 52.037 -0.008 0.000 0.620 325 A CB -0.777 18.141 19.000 -0.136 0.000 0.819 325 A HN 0.355 nan 8.150 nan 0.000 0.442 326 V N -1.423 118.425 119.914 -0.111 0.000 2.358 326 V HA -0.229 3.889 4.120 -0.005 0.000 0.246 326 V C 2.267 178.614 176.094 0.422 0.000 1.047 326 V CA 1.628 64.006 62.300 0.129 0.000 1.035 326 V CB -0.902 30.911 31.823 -0.016 0.000 0.658 326 V HN 0.846 nan 8.190 nan 0.000 0.452 327 W N 0.792 122.232 121.300 0.233 0.000 2.335 327 W HA -0.233 4.425 4.660 -0.005 0.000 0.311 327 W C 2.592 179.155 176.519 0.074 0.000 1.213 327 W CA 2.261 59.730 57.345 0.206 0.000 1.274 327 W CB -0.813 28.770 29.460 0.206 0.000 1.148 327 W HN 0.425 nan 8.180 nan 0.000 0.498 328 H N -0.704 118.562 119.070 0.326 0.000 2.423 328 H HA -0.064 4.489 4.556 -0.005 0.000 0.297 328 H C 2.123 177.451 175.328 -0.000 0.000 1.075 328 H CA 1.804 57.935 56.048 0.139 0.000 1.342 328 H CB -0.388 29.407 29.762 0.055 0.000 1.395 328 H HN 0.175 nan 8.280 nan 0.000 0.530 329 G N -0.474 108.286 108.800 -0.067 0.000 2.430 329 G HA2 -0.090 3.867 3.960 -0.005 0.000 0.216 329 G HA3 -0.090 3.867 3.960 -0.005 0.000 0.216 329 G C -0.010 174.344 174.900 -0.910 0.000 1.146 329 G CA 0.073 44.874 45.100 -0.499 0.000 0.793 329 G HN 0.248 nan 8.290 nan 0.000 0.537 330 F N 1.863 121.797 119.950 -0.028 0.000 2.769 330 F HA 0.346 4.870 4.527 -0.005 0.000 0.358 330 F C -2.399 173.277 175.800 -0.206 0.000 1.285 330 F CA -2.850 55.104 58.000 -0.077 0.000 1.199 330 F CB 1.828 40.812 39.000 -0.027 0.000 1.558 330 F HN -0.159 nan 8.300 nan 0.000 0.583 331 P HA 0.052 nan 4.420 nan 0.000 0.266 331 P C -1.916 175.143 177.300 -0.402 0.000 1.215 331 P CA -1.059 61.899 63.100 -0.237 0.000 0.763 331 P CB 1.132 32.791 31.700 -0.069 0.000 0.806 332 P HA -0.118 nan 4.420 nan 0.000 0.222 332 P C 0.793 177.863 177.300 -0.383 0.000 1.147 332 P CA 1.211 63.832 63.100 -0.799 0.000 0.790 332 P CB -0.198 30.561 31.700 -1.568 0.000 0.780 333 G N 0.526 109.166 108.800 -0.267 0.000 2.757 333 G HA2 -0.035 3.922 3.960 -0.005 0.000 0.686 333 G HA3 -0.035 3.922 3.960 -0.005 0.000 0.686 333 G C 0.207 175.052 174.900 -0.092 0.000 1.452 333 G CA 0.344 45.370 45.100 -0.123 0.000 0.922 333 G HN 0.777 nan 8.290 nan 0.000 0.588 334 S N -1.050 114.630 115.700 -0.032 0.000 3.635 334 S HA -0.308 4.159 4.470 -0.005 0.000 0.328 334 S C 0.713 175.325 174.600 0.021 0.000 1.135 334 S CA 1.545 59.741 58.200 -0.006 0.000 0.942 334 S CB -2.033 61.158 63.200 -0.014 0.000 0.930 334 S HN 2.713 nan 8.310 nan 0.000 0.512 335 N N 0.099 118.831 118.700 0.052 0.000 2.721 335 N HA -0.107 4.630 4.740 -0.005 0.000 0.249 335 N C 0.756 176.374 175.510 0.179 0.000 1.072 335 N CA 1.763 54.913 53.050 0.167 0.000 0.710 335 N CB -1.719 36.861 38.487 0.155 0.000 0.993 335 N HN 2.140 nan 8.380 nan 0.000 0.547 336 G N -0.404 108.348 108.800 -0.080 0.000 2.424 336 G HA2 -0.349 3.608 3.960 -0.005 0.000 0.294 336 G HA3 -0.349 3.608 3.960 -0.005 0.000 0.294 336 G C 0.660 175.579 174.900 0.031 0.000 0.939 336 G CA 0.760 45.711 45.100 -0.248 0.000 1.143 336 G HN 0.578 nan 8.290 nan 0.000 0.507 337 D N -0.519 119.912 120.400 0.052 0.000 2.182 337 D HA -0.012 4.626 4.640 -0.005 0.000 0.201 337 D C 2.442 178.783 176.300 0.069 0.000 0.986 337 D CA 2.041 56.087 54.000 0.077 0.000 0.847 337 D CB 0.124 40.952 40.800 0.047 0.000 0.942 337 D HN 0.647 nan 8.370 nan 0.000 0.467 338 T N -3.065 111.522 114.554 0.055 0.000 3.380 338 T HA 0.149 4.496 4.350 -0.005 0.000 0.289 338 T C 0.793 175.549 174.700 0.094 0.000 1.012 338 T CA -0.627 61.495 62.100 0.037 0.000 0.944 338 T CB -0.514 68.347 68.868 -0.011 0.000 1.172 338 T HN -0.076 nan 8.240 nan 0.000 0.502 339 F N 2.093 121.990 119.950 -0.088 0.000 2.335 339 F HA 0.501 5.025 4.527 -0.005 0.000 0.296 339 F C 0.298 176.088 175.800 -0.018 0.000 1.091 339 F CA -0.590 57.341 58.000 -0.115 0.000 1.399 339 F CB 0.127 38.888 39.000 -0.398 0.000 1.067 339 F HN 0.184 nan 8.300 nan 0.000 0.520 340 L N 2.064 123.272 121.223 -0.026 0.000 2.287 340 L HA 0.390 4.727 4.340 -0.005 0.000 0.287 340 L C -0.427 176.420 176.870 -0.039 0.000 1.022 340 L CA -0.528 54.259 54.840 -0.088 0.000 0.814 340 L CB 1.568 43.643 42.059 0.028 0.000 1.217 340 L HN -0.163 nan 8.230 nan 0.000 0.420 341 K N 1.413 121.782 120.400 -0.051 0.000 2.352 341 K HA 0.826 5.143 4.320 -0.005 0.000 0.240 341 K C 0.250 176.831 176.600 -0.031 0.000 1.017 341 K CA -0.356 55.908 56.287 -0.039 0.000 0.851 341 K CB 2.249 34.720 32.500 -0.048 0.000 1.261 341 K HN 0.698 nan 8.250 nan 0.000 0.451 342 G N 0.700 109.483 108.800 -0.028 0.000 2.512 342 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.254 342 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.254 342 G C -0.478 174.401 174.900 -0.035 0.000 1.199 342 G CA -0.621 44.462 45.100 -0.028 0.000 0.941 342 G HN 0.476 nan 8.290 nan 0.000 0.569 343 L N 1.404 122.599 121.223 -0.045 0.000 2.628 343 L HA 0.110 4.447 4.340 -0.005 0.000 0.274 343 L C 1.402 178.254 176.870 -0.031 0.000 1.209 343 L CA 0.320 55.131 54.840 -0.049 0.000 0.930 343 L CB 0.365 42.387 42.059 -0.061 0.000 1.183 343 L HN 0.702 nan 8.230 nan 0.000 0.492 344 Q N 2.897 122.683 119.800 -0.023 0.000 2.330 344 Q HA 0.347 4.684 4.340 -0.005 0.000 0.279 344 Q C -0.935 175.065 176.000 0.000 0.000 1.024 344 Q CA 0.074 55.874 55.803 -0.006 0.000 0.900 344 Q CB 1.168 29.904 28.738 -0.004 0.000 1.221 344 Q HN 0.478 nan 8.270 nan 0.000 0.396 345 V N 4.700 124.625 119.914 0.018 0.000 2.950 345 V HA 0.429 4.546 4.120 -0.005 0.000 0.295 345 V C -1.689 174.436 176.094 0.051 0.000 1.297 345 V CA -0.775 61.541 62.300 0.025 0.000 0.962 345 V CB 2.159 33.994 31.823 0.020 0.000 1.081 345 V HN 0.956 nan 8.190 nan 0.000 0.432 346 R N 6.673 127.199 120.500 0.043 0.000 2.346 346 R HA 0.720 5.057 4.340 -0.005 0.000 0.311 346 R C -2.665 173.659 176.300 0.040 0.000 0.983 346 R CA -1.736 54.392 56.100 0.047 0.000 0.880 346 R CB 1.168 31.482 30.300 0.023 0.000 1.100 346 R HN 0.486 nan 8.270 nan 0.000 0.453 347 P HA 0.010 nan 4.420 nan 0.000 0.269 347 P C -0.782 176.507 177.300 -0.018 0.000 1.209 347 P CA -0.256 62.857 63.100 0.022 0.000 0.776 347 P CB 0.854 32.539 31.700 -0.025 0.000 0.876 348 A N 4.369 127.195 122.820 0.010 0.000 2.301 348 A HA 0.527 4.844 4.320 -0.005 0.000 0.298 348 A C -2.081 175.491 177.584 -0.020 0.000 1.185 348 A CA -1.723 50.319 52.037 0.007 0.000 0.830 348 A CB -0.437 18.593 19.000 0.050 0.000 1.112 348 A HN 0.409 nan 8.150 nan 0.000 0.508 349 P HA 0.066 nan 4.420 nan 0.000 0.264 349 P C -0.510 176.764 177.300 -0.042 0.000 1.193 349 P CA 0.382 63.442 63.100 -0.067 0.000 0.763 349 P CB 0.397 32.060 31.700 -0.063 0.000 0.810 350 L N 2.349 123.530 121.223 -0.071 0.000 2.380 350 L HA 0.131 4.468 4.340 -0.005 0.000 0.273 350 L C 1.507 178.328 176.870 -0.083 0.000 1.138 350 L CA -0.236 54.561 54.840 -0.072 0.000 0.832 350 L CB 0.525 42.495 42.059 -0.150 0.000 1.124 350 L HN 0.499 nan 8.230 nan 0.000 0.454 351 S N 1.876 117.541 115.700 -0.059 0.000 2.614 351 S HA 0.327 4.794 4.470 -0.005 0.000 0.265 351 S C 1.003 175.550 174.600 -0.087 0.000 1.303 351 S CA -0.162 58.007 58.200 -0.050 0.000 1.000 351 S CB 1.647 64.841 63.200 -0.010 0.000 0.935 351 S HN 0.687 nan 8.310 nan 0.000 0.551 352 A N 0.861 123.645 122.820 -0.060 0.000 1.969 352 A HA 0.009 4.326 4.320 -0.005 0.000 0.218 352 A C 1.929 179.476 177.584 -0.062 0.000 1.169 352 A CA 1.451 53.450 52.037 -0.063 0.000 0.635 352 A CB -1.025 17.956 19.000 -0.032 0.000 0.810 352 A HN 0.884 nan 8.150 nan 0.000 0.445 353 E N -0.304 119.874 120.200 -0.037 0.000 2.047 353 E HA -0.149 4.198 4.350 -0.005 0.000 0.191 353 E C 1.846 178.343 176.600 -0.172 0.000 0.987 353 E CA 1.080 57.477 56.400 -0.004 0.000 0.799 353 E CB -0.446 29.337 29.700 0.139 0.000 0.752 353 E HN 0.474 nan 8.360 nan 0.000 0.449 354 L N 1.038 122.051 121.223 -0.351 0.000 2.046 354 L HA -0.211 4.126 4.340 -0.005 0.000 0.208 354 L C 1.954 178.648 176.870 -0.295 0.000 1.077 354 L CA 1.864 56.339 54.840 -0.609 0.000 0.747 354 L CB -0.487 41.321 42.059 -0.418 0.000 0.896 354 L HN 0.121 nan 8.230 nan 0.000 0.432 355 Q N -0.782 118.896 119.800 -0.204 0.000 2.050 355 Q HA -0.188 4.150 4.340 -0.005 0.000 0.202 355 Q C 2.257 178.224 176.000 -0.055 0.000 0.980 355 Q CA 1.717 57.428 55.803 -0.152 0.000 0.840 355 Q CB -0.395 28.208 28.738 -0.226 0.000 0.898 355 Q HN 0.689 nan 8.270 nan 0.000 0.424 356 A N 1.090 123.877 122.820 -0.054 0.000 1.933 356 A HA -0.141 4.176 4.320 -0.005 0.000 0.218 356 A C 2.285 179.871 177.584 0.003 0.000 1.175 356 A CA 1.638 53.669 52.037 -0.010 0.000 0.628 356 A CB -0.730 18.270 19.000 -0.001 0.000 0.814 356 A HN 0.409 nan 8.150 nan 0.000 0.444 357 A N -0.258 122.548 122.820 -0.023 0.000 1.930 357 A HA 0.001 4.318 4.320 -0.005 0.000 0.217 357 A C 2.102 179.712 177.584 0.043 0.000 1.175 357 A CA 1.406 53.457 52.037 0.023 0.000 0.627 357 A CB -0.552 18.463 19.000 0.024 0.000 0.815 357 A HN 0.477 nan 8.150 nan 0.000 0.443 358 L N -1.282 119.960 121.223 0.031 0.000 2.201 358 L HA 0.006 4.343 4.340 -0.005 0.000 0.212 358 L C 1.760 178.681 176.870 0.085 0.000 1.105 358 L CA 0.440 55.339 54.840 0.098 0.000 0.775 358 L CB -0.716 41.416 42.059 0.123 0.000 0.913 358 L HN 0.513 nan 8.230 nan 0.000 0.440 359 A N 1.392 124.247 122.820 0.058 0.000 2.462 359 A HA -0.228 4.090 4.320 -0.005 0.000 0.294 359 A C 0.480 178.085 177.584 0.036 0.000 1.461 359 A CA 1.405 53.469 52.037 0.044 0.000 0.765 359 A CB -1.865 17.155 19.000 0.034 0.000 1.071 359 A HN 0.589 nan 8.150 nan 0.000 0.401 360 M N -0.532 119.089 119.600 0.037 0.000 2.321 360 M HA 0.700 5.178 4.480 -0.005 0.000 0.315 360 M C -0.207 176.058 176.300 -0.058 0.000 1.052 360 M CA -0.492 54.802 55.300 -0.010 0.000 0.936 360 M CB 1.552 34.137 32.600 -0.026 0.000 1.639 360 M HN 0.537 nan 8.290 nan 0.000 0.433 361 E N 3.363 123.520 120.200 -0.072 0.000 2.366 361 E HA 0.544 4.891 4.350 -0.005 0.000 0.266 361 E C -2.552 173.945 176.600 -0.172 0.000 1.051 361 E CA -1.523 54.820 56.400 -0.096 0.000 0.884 361 E CB 0.109 29.772 29.700 -0.062 0.000 1.006 361 E HN 0.456 nan 8.360 nan 0.000 0.417 362 P HA -0.004 nan 4.420 nan 0.000 0.266 362 P C -0.854 176.326 177.300 -0.199 0.000 1.193 362 P CA -0.001 62.948 63.100 -0.252 0.000 0.770 362 P CB 0.580 32.160 31.700 -0.201 0.000 0.836 363 T N 3.724 118.136 114.554 -0.236 0.000 3.410 363 T HA 0.241 4.588 4.350 -0.005 0.000 0.328 363 T C -2.556 172.145 174.700 0.001 0.000 1.567 363 T CA -1.303 60.740 62.100 -0.094 0.000 1.626 363 T CB 0.263 69.099 68.868 -0.054 0.000 0.939 363 T HN 0.334 nan 8.240 nan 0.000 0.656 364 P HA 0.116 nan 4.420 nan 0.000 0.261 364 P C 1.095 178.393 177.300 -0.003 0.000 1.183 364 P CA 0.954 64.032 63.100 -0.037 0.000 0.761 364 P CB 0.483 32.153 31.700 -0.050 0.000 0.785 365 G N 3.062 111.847 108.800 -0.025 0.000 2.179 365 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.260 365 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.260 365 G C 1.240 176.164 174.900 0.040 0.000 0.977 365 G CA 0.446 45.540 45.100 -0.010 0.000 0.641 365 G HN 0.726 nan 8.290 nan 0.000 0.533 366 G N -0.623 108.258 108.800 0.134 0.000 2.469 366 G HA2 0.154 4.111 3.960 -0.005 0.000 0.220 366 G HA3 0.154 4.111 3.960 -0.005 0.000 0.220 366 G C 0.715 175.578 174.900 -0.062 0.000 1.136 366 G CA 1.535 46.726 45.100 0.151 0.000 0.759 366 G HN 1.239 nan 8.290 nan 0.000 0.562 367 V N 0.487 120.371 119.914 -0.051 0.000 2.378 367 V HA 0.252 4.369 4.120 -0.005 0.000 0.288 367 V C 0.718 176.856 176.094 0.072 0.000 1.016 367 V CA -0.738 61.506 62.300 -0.093 0.000 0.840 367 V CB 1.714 33.471 31.823 -0.109 0.000 0.994 367 V HN 0.255 nan 8.190 nan 0.000 0.431 368 K N 3.865 124.245 120.400 -0.033 0.000 2.148 368 K HA 0.035 4.352 4.320 -0.005 0.000 0.204 368 K C -0.048 176.730 176.600 0.297 0.000 1.050 368 K CA 1.452 57.791 56.287 0.087 0.000 0.942 368 K CB 0.072 32.600 32.500 0.047 0.000 0.724 368 K HN 0.793 nan 8.250 nan 0.000 0.446 369 Y N -2.903 117.418 120.300 0.035 0.000 2.841 369 Y HA 0.413 4.961 4.550 -0.004 0.000 0.373 369 Y C -1.618 174.053 175.900 -0.382 0.000 1.170 369 Y CA -1.589 56.407 58.100 -0.172 0.000 1.196 369 Y CB 0.639 39.044 38.460 -0.092 0.000 1.433 369 Y HN -0.256 nan 8.280 nan 0.000 0.479 370 I N 3.132 123.453 120.570 -0.416 0.000 2.436 370 I HA 0.494 4.662 4.170 -0.005 0.000 0.289 370 I C -0.770 175.270 176.117 -0.129 0.000 1.010 370 I CA -0.832 60.253 61.300 -0.359 0.000 1.098 370 I CB 1.836 39.530 38.000 -0.509 0.000 1.266 370 I HN 0.492 nan 8.210 nan 0.000 0.434 371 I N 6.424 126.947 120.570 -0.078 0.000 2.336 371 I HA 0.341 4.508 4.170 -0.005 0.000 0.292 371 I C -0.473 175.595 176.117 -0.080 0.000 0.991 371 I CA -0.861 60.421 61.300 -0.030 0.000 1.227 371 I CB 1.719 39.724 38.000 0.007 0.000 1.366 371 I HN 0.191 nan 8.210 nan 0.000 0.466 372 V N 5.360 125.233 119.914 -0.067 0.000 2.347 372 V HA 0.491 4.609 4.120 -0.005 0.000 0.280 372 V C 0.090 176.141 176.094 -0.071 0.000 1.021 372 V CA -0.206 62.049 62.300 -0.076 0.000 0.847 372 V CB 1.245 33.032 31.823 -0.059 0.000 0.990 372 V HN 0.875 nan 8.190 nan 0.000 0.444 373 T N 3.534 118.034 114.554 -0.089 0.000 2.618 373 T HA 0.697 5.045 4.350 -0.005 0.000 0.286 373 T C -1.181 173.470 174.700 -0.082 0.000 1.027 373 T CA -0.245 61.812 62.100 -0.072 0.000 1.063 373 T CB 2.148 70.986 68.868 -0.050 0.000 1.440 373 T HN 0.889 nan 8.240 nan 0.000 0.505 374 Q N -0.279 119.496 119.800 -0.042 0.000 2.854 374 Q HA 0.641 4.978 4.340 -0.005 0.000 0.331 374 Q C -1.453 174.554 176.000 0.012 0.000 0.859 374 Q CA -0.924 54.859 55.803 -0.033 0.000 0.787 374 Q CB 1.007 29.730 28.738 -0.025 0.000 1.410 374 Q HN 0.446 nan 8.270 nan 0.000 0.510 375 V N 0.799 120.718 119.914 0.009 0.000 2.655 375 V HA 0.526 4.643 4.120 -0.005 0.000 0.300 375 V C 0.575 176.695 176.094 0.044 0.000 1.044 375 V CA 0.993 63.271 62.300 -0.036 0.000 1.095 375 V CB 0.537 32.309 31.823 -0.086 0.000 0.952 375 V HN 0.775 nan 8.190 nan 0.000 0.485 376 G N 5.096 113.857 108.800 -0.064 0.000 2.816 376 G HA2 0.762 4.720 3.960 -0.005 0.000 0.288 376 G HA3 0.762 4.720 3.960 -0.005 0.000 0.288 376 G C -3.046 171.719 174.900 -0.225 0.000 1.334 376 G CA -1.378 43.585 45.100 -0.229 0.000 0.978 376 G HN 0.551 nan 8.290 nan 0.000 0.493 377 P HA 0.288 nan 4.420 nan 0.000 0.276 377 P C 0.647 177.853 177.300 -0.156 0.000 1.261 377 P CA 0.013 63.013 63.100 -0.167 0.000 0.800 377 P CB 1.151 32.755 31.700 -0.160 0.000 1.066 378 G N 0.436 109.176 108.800 -0.101 0.000 2.583 378 G HA2 0.263 4.220 3.960 -0.005 0.000 0.275 378 G HA3 0.263 4.220 3.960 -0.005 0.000 0.275 378 G C -2.213 172.544 174.900 -0.237 0.000 1.342 378 G CA -1.080 43.939 45.100 -0.136 0.000 1.030 378 G HN 0.436 nan 8.290 nan 0.000 0.520 379 P HA 0.109 nan 4.420 nan 0.000 0.267 379 P C -0.753 176.219 177.300 -0.546 0.000 1.200 379 P CA 0.221 62.989 63.100 -0.553 0.000 0.772 379 P CB 1.031 32.188 31.700 -0.904 0.000 0.855 380 Q N 1.197 120.800 119.800 -0.329 0.000 2.348 380 Q HA 0.573 4.911 4.340 -0.005 0.000 0.271 380 Q C -0.489 175.506 176.000 -0.008 0.000 1.067 380 Q CA -0.724 54.997 55.803 -0.137 0.000 0.839 380 Q CB 1.522 30.211 28.738 -0.081 0.000 1.354 380 Q HN 0.363 nan 8.270 nan 0.000 0.447 381 I N 2.595 123.213 120.570 0.081 0.000 2.336 381 I HA 0.280 4.447 4.170 -0.005 0.000 0.292 381 I C -0.518 175.626 176.117 0.045 0.000 0.991 381 I CA -0.575 60.793 61.300 0.113 0.000 1.227 381 I CB 0.816 38.896 38.000 0.133 0.000 1.366 381 I HN 0.312 nan 8.210 nan 0.000 0.466 382 L N 6.147 127.386 121.223 0.028 0.000 2.268 382 L HA 0.206 4.544 4.340 -0.005 0.000 0.289 382 L C 0.687 177.541 176.870 -0.028 0.000 1.064 382 L CA -0.304 54.529 54.840 -0.012 0.000 0.824 382 L CB 0.641 42.678 42.059 -0.038 0.000 1.202 382 L HN 0.616 nan 8.230 nan 0.000 0.433 383 D N 0.489 120.875 120.400 -0.023 0.000 2.348 383 D HA -0.087 4.551 4.640 -0.005 0.000 0.216 383 D C 0.506 176.771 176.300 -0.059 0.000 0.970 383 D CA 0.810 54.794 54.000 -0.026 0.000 0.889 383 D CB 0.262 41.056 40.800 -0.010 0.000 0.912 383 D HN 0.480 nan 8.370 nan 0.000 0.524 384 D N 0.816 121.164 120.400 -0.087 0.000 2.339 384 D HA 0.045 4.683 4.640 -0.005 0.000 0.256 384 D C -1.647 174.532 176.300 -0.202 0.000 1.214 384 D CA -1.972 51.962 54.000 -0.110 0.000 0.877 384 D CB 1.802 42.547 40.800 -0.093 0.000 1.111 384 D HN -0.115 nan 8.370 nan 0.000 0.478 385 P HA -0.084 nan 4.420 nan 0.000 0.220 385 P C 0.940 178.094 177.300 -0.243 0.000 1.144 385 P CA 0.726 63.703 63.100 -0.207 0.000 0.800 385 P CB 0.249 31.910 31.700 -0.066 0.000 0.772 386 C N -1.806 117.388 119.300 -0.176 0.000 2.618 386 C HA 0.326 4.783 4.460 -0.005 0.000 0.264 386 C C 2.536 177.436 174.990 -0.149 0.000 1.334 386 C CA 0.383 59.326 59.018 -0.126 0.000 1.731 386 C CB -1.673 26.019 27.740 -0.080 0.000 1.852 386 C HN 0.237 nan 8.230 nan 0.000 0.566 387 A N -0.197 122.480 122.820 -0.238 0.000 2.067 387 A HA -0.003 4.314 4.320 -0.005 0.000 0.217 387 A C 0.649 178.154 177.584 -0.133 0.000 1.156 387 A CA 0.519 52.446 52.037 -0.183 0.000 0.683 387 A CB -0.593 18.303 19.000 -0.174 0.000 0.808 387 A HN 0.698 nan 8.150 nan 0.000 0.455 388 H N -0.000 119.044 119.070 -0.044 0.000 3.167 388 H HA -0.004 4.549 4.556 -0.005 0.000 0.306 388 H C 0.845 176.132 175.328 -0.068 0.000 0.965 388 H CA 0.045 56.062 56.048 -0.052 0.000 1.408 388 H CB 0.430 30.161 29.762 -0.051 0.000 1.406 388 H HN 0.120 nan 8.280 nan 0.000 0.576 389 L N 3.789 125.046 121.223 0.057 0.000 2.456 389 L HA -0.088 4.249 4.340 -0.005 0.000 0.224 389 L C 0.339 177.159 176.870 -0.083 0.000 1.148 389 L CA 1.056 55.879 54.840 -0.028 0.000 0.825 389 L CB -0.427 41.610 42.059 -0.037 0.000 0.937 389 L HN 0.426 nan 8.230 nan 0.000 0.450 390 L N -4.594 116.587 121.223 -0.069 0.000 2.493 390 L HA 0.804 5.141 4.340 -0.005 0.000 0.265 390 L C 0.278 177.089 176.870 -0.098 0.000 0.954 390 L CA -0.615 54.140 54.840 -0.142 0.000 0.844 390 L CB 0.591 42.506 42.059 -0.240 0.000 1.302 390 L HN -0.135 nan 8.230 nan 0.000 0.405 391 G N 1.381 110.125 108.800 -0.093 0.000 2.803 391 G HA2 0.435 4.392 3.960 -0.005 0.000 0.177 391 G HA3 0.435 4.392 3.960 -0.005 0.000 0.177 391 G C -1.882 172.969 174.900 -0.081 0.000 1.629 391 G CA -0.657 44.405 45.100 -0.063 0.000 1.077 391 G HN 0.635 nan 8.290 nan 0.000 0.556 392 P HA 0.251 nan 4.420 nan 0.000 0.243 392 P C -0.579 176.697 177.300 -0.040 0.000 1.668 392 P CA 0.515 63.587 63.100 -0.047 0.000 0.898 392 P CB 0.358 32.042 31.700 -0.027 0.000 1.637 393 D N -1.862 118.492 120.400 -0.076 0.000 2.573 393 D HA 0.179 4.816 4.640 -0.005 0.000 0.118 393 D C 1.022 177.197 176.300 -0.209 0.000 1.480 393 D CA 0.337 54.282 54.000 -0.092 0.000 1.470 393 D CB 0.127 40.871 40.800 -0.093 0.000 2.083 393 D HN 0.069 nan 8.370 nan 0.000 0.220 394 G N 0.919 109.509 108.800 -0.350 0.000 3.442 394 G HA2 0.257 4.214 3.960 -0.005 0.000 0.224 394 G HA3 0.257 4.214 3.960 -0.005 0.000 0.224 394 G C -0.818 173.613 174.900 -0.782 0.000 0.988 394 G CA -0.374 44.306 45.100 -0.701 0.000 1.133 394 G HN 0.061 nan 8.290 nan 0.000 0.659 395 L N 0.560 121.518 121.223 -0.442 0.000 2.235 395 L HA 0.785 5.122 4.340 -0.005 0.000 0.260 395 L C -1.489 175.241 176.870 -0.235 0.000 1.025 395 L CA -2.091 52.540 54.840 -0.348 0.000 0.836 395 L CB 0.957 42.876 42.059 -0.234 0.000 1.395 395 L HN -0.009 nan 8.230 nan 0.000 0.443 396 P HA 0.000 nan 4.420 nan 0.000 0.216 396 P CA 0.000 63.027 63.100 -0.121 0.000 0.800 396 P CB 0.000 31.642 31.700 -0.096 0.000 0.726