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 2ib7_1_C DATA FIRST_RESID 36 DATA SEQUENCE KPTLKEVVIV SATRTPIGSF LGSLSLLPAT KLGSIAIQGA IEKAGIPKEE DATA SEQUENCE VKEAYMGNVL QGGEGQAPTR QAVLGAGLPI STPCTTINKV CASGMKAIMM DATA SEQUENCE ASQSLMCGHQ DVMVAGGMES MSNVPYVMNR GSTPYGGVKL EDLIVKDGLT DATA SEQUENCE DVYNKIHMGS CAENTAKKLN IARNEQDAYA INSYTRSKAA WEAGKFGNEV DATA SEQUENCE IPVTVTVKGQ PDVVVKEDEE YKRVDFSKVP KLKTVFQKEN GTVTAANAST DATA SEQUENCE LNDGAAALVL MTADAAKRLN VTPLARIVAF ADAAVEPIDF PIAPVYAASM DATA SEQUENCE VLKDVGLKKE DIAMWEVNEA FSLVVLANIK MLEIDPQKVN INGGAVSLGH DATA SEQUENCE PIGMSGARIV GHLTHALKQG EYGLASICNG GGGASAMLIQ KL 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 36 K HA 0.000 nan 4.320 nan 0.000 0.191 36 K C 0.000 176.591 176.600 -0.014 0.000 0.988 36 K CA 0.000 56.278 56.287 -0.014 0.000 0.838 36 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 37 P HA 0.040 nan 4.420 nan 0.000 0.266 37 P C -1.013 176.276 177.300 -0.018 0.000 1.193 37 P CA -0.180 62.911 63.100 -0.015 0.000 0.770 37 P CB 0.544 32.234 31.700 -0.017 0.000 0.836 38 T N 0.668 115.213 114.554 -0.015 0.000 2.770 38 T HA 0.625 4.975 4.350 -0.000 0.000 0.297 38 T C -0.271 174.418 174.700 -0.017 0.000 0.997 38 T CA -0.798 61.293 62.100 -0.015 0.000 0.949 38 T CB -0.066 68.796 68.868 -0.010 0.000 0.941 38 T HN 0.179 nan 8.240 nan 0.000 0.457 39 L N 2.403 123.614 121.223 -0.020 0.000 2.330 39 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 39 L C 0.381 177.242 176.870 -0.016 0.000 1.013 39 L CA -1.615 53.212 54.840 -0.022 0.000 0.816 39 L CB 1.363 43.408 42.059 -0.023 0.000 1.287 39 L HN 0.353 nan 8.230 nan 0.000 0.435 40 K N 1.809 122.199 120.400 -0.017 0.000 2.448 40 K HA 0.038 4.358 4.320 -0.000 0.000 0.278 40 K C -0.145 176.453 176.600 -0.002 0.000 1.009 40 K CA 0.207 56.487 56.287 -0.010 0.000 0.995 40 K CB 0.553 33.046 32.500 -0.012 0.000 0.917 40 K HN 0.530 nan 8.250 nan 0.000 0.481 41 E N 1.846 122.045 120.200 -0.001 0.000 2.344 41 E HA 0.110 4.460 4.350 -0.000 0.000 0.270 41 E C -0.922 175.684 176.600 0.008 0.000 1.021 41 E CA -0.397 56.005 56.400 0.004 0.000 0.887 41 E CB 0.727 30.426 29.700 -0.002 0.000 0.997 41 E HN 0.110 nan 8.360 nan 0.000 0.429 42 V N 5.757 125.684 119.914 0.022 0.000 2.417 42 V HA 0.339 4.458 4.120 -0.000 0.000 0.291 42 V C -0.059 176.045 176.094 0.016 0.000 1.024 42 V CA -0.681 61.634 62.300 0.025 0.000 0.861 42 V CB 1.278 33.134 31.823 0.055 0.000 0.985 42 V HN 0.570 nan 8.190 nan 0.000 0.436 43 V N 3.041 122.955 119.914 0.000 0.000 2.864 43 V HA 0.698 4.818 4.120 -0.000 0.000 0.314 43 V C -0.557 175.525 176.094 -0.020 0.000 1.073 43 V CA -0.925 61.368 62.300 -0.012 0.000 0.956 43 V CB 2.083 33.894 31.823 -0.020 0.000 1.023 43 V HN 0.648 nan 8.190 nan 0.000 0.435 44 I N 3.154 123.705 120.570 -0.032 0.000 2.315 44 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 44 I C 0.778 176.863 176.117 -0.053 0.000 1.006 44 I CA -0.287 60.987 61.300 -0.044 0.000 1.265 44 I CB 1.794 39.759 38.000 -0.059 0.000 1.387 44 I HN 0.519 nan 8.210 nan 0.000 0.475 45 V N 3.819 123.709 119.914 -0.040 0.000 3.125 45 V HA 0.072 4.191 4.120 -0.000 0.000 0.249 45 V C 0.684 176.760 176.094 -0.031 0.000 1.113 45 V CA 0.724 63.004 62.300 -0.035 0.000 1.106 45 V CB 0.080 31.890 31.823 -0.022 0.000 0.768 45 V HN 0.866 nan 8.190 nan 0.000 0.468 46 S N -0.753 114.933 115.700 -0.024 0.000 2.596 46 S HA 0.855 5.324 4.470 -0.000 0.000 0.270 46 S C -0.967 173.641 174.600 0.013 0.000 1.155 46 S CA -0.102 58.100 58.200 0.003 0.000 0.827 46 S CB 2.450 65.673 63.200 0.038 0.000 1.130 46 S HN 0.802 nan 8.310 nan 0.000 0.467 47 A N 1.272 124.149 122.820 0.095 0.000 2.547 47 A HA 0.732 5.052 4.320 -0.000 0.000 0.279 47 A C -0.555 177.190 177.584 0.268 0.000 1.088 47 A CA -0.578 51.549 52.037 0.150 0.000 0.796 47 A CB 0.929 19.983 19.000 0.089 0.000 1.308 47 A HN 0.904 nan 8.150 nan 0.000 0.415 48 T N 1.824 116.468 114.554 0.150 0.000 2.907 48 T HA 0.846 5.196 4.350 -0.000 0.000 0.292 48 T C -0.244 174.512 174.700 0.093 0.000 1.043 48 T CA -0.753 61.416 62.100 0.116 0.000 1.003 48 T CB 1.765 70.683 68.868 0.083 0.000 1.084 48 T HN 0.971 nan 8.240 nan 0.000 0.483 49 R N -0.734 119.815 120.500 0.082 0.000 2.774 49 R HA 0.731 5.071 4.340 -0.000 0.000 0.272 49 R C -0.332 176.010 176.300 0.069 0.000 1.000 49 R CA -1.029 55.115 56.100 0.073 0.000 0.906 49 R CB 0.725 31.071 30.300 0.077 0.000 1.227 49 R HN 0.689 nan 8.270 nan 0.000 0.468 50 T N -0.722 113.868 114.554 0.060 0.000 2.766 50 T HA 0.340 4.690 4.350 -0.000 0.000 0.295 50 T C -2.075 172.667 174.700 0.070 0.000 1.024 50 T CA -1.270 60.865 62.100 0.058 0.000 1.018 50 T CB 0.542 69.435 68.868 0.041 0.000 1.002 50 T HN 0.403 nan 8.240 nan 0.000 0.532 51 P HA 0.330 nan 4.420 nan 0.000 0.272 51 P C -0.500 176.825 177.300 0.042 0.000 1.240 51 P CA -0.476 62.666 63.100 0.070 0.000 0.791 51 P CB 0.244 31.956 31.700 0.020 0.000 0.978 52 I N 0.769 121.363 120.570 0.040 0.000 2.342 52 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 52 I C 1.161 177.290 176.117 0.021 0.000 1.010 52 I CA 0.045 61.367 61.300 0.036 0.000 1.308 52 I CB 0.782 38.810 38.000 0.046 0.000 1.400 52 I HN 0.312 nan 8.210 nan 0.000 0.488 53 G N 3.893 112.705 108.800 0.021 0.000 2.437 53 G HA2 0.473 4.432 3.960 -0.000 0.000 0.319 53 G HA3 0.473 4.432 3.960 -0.000 0.000 0.319 53 G C -0.458 174.466 174.900 0.040 0.000 1.158 53 G CA -0.360 44.747 45.100 0.012 0.000 0.899 53 G HN 0.552 nan 8.290 nan 0.000 0.502 54 S N -0.415 115.308 115.700 0.038 0.000 2.632 54 S HA 0.311 4.781 4.470 -0.000 0.000 0.267 54 S C -0.192 174.483 174.600 0.125 0.000 1.276 54 S CA -0.418 57.832 58.200 0.084 0.000 0.998 54 S CB 0.863 64.100 63.200 0.062 0.000 0.953 54 S HN 0.434 nan 8.310 nan 0.000 0.547 55 F N 2.449 122.401 119.950 0.003 0.000 2.602 55 F HA 0.106 4.633 4.527 -0.000 0.000 0.385 55 F C 1.015 176.814 175.800 -0.001 0.000 1.063 55 F CA -0.220 57.781 58.000 0.002 0.000 1.233 55 F CB -0.787 38.220 39.000 0.011 0.000 1.067 55 F HN 0.514 nan 8.300 nan 0.000 0.564 56 L N 4.306 125.245 121.223 -0.475 0.000 4.179 56 L HA -0.303 4.036 4.340 -0.000 0.000 0.418 56 L C 0.984 177.753 176.870 -0.168 0.000 1.168 56 L CA 0.501 55.106 54.840 -0.391 0.000 0.972 56 L CB -2.280 39.488 42.059 -0.485 0.000 2.005 56 L HN 0.834 nan 8.230 nan 0.000 0.935 57 G N -0.380 108.363 108.800 -0.096 0.000 2.945 57 G HA2 0.381 4.341 3.960 -0.000 0.000 0.156 57 G HA3 0.381 4.341 3.960 -0.000 0.000 0.156 57 G C 1.030 175.900 174.900 -0.051 0.000 1.375 57 G CA 0.433 45.501 45.100 -0.053 0.000 1.039 57 G HN 0.281 nan 8.290 nan 0.000 0.586 58 S N -0.665 115.010 115.700 -0.041 0.000 2.419 58 S HA 0.007 4.477 4.470 -0.000 0.000 0.233 58 S C 1.802 176.381 174.600 -0.034 0.000 1.016 58 S CA 0.950 59.125 58.200 -0.042 0.000 0.974 58 S CB -0.219 62.952 63.200 -0.048 0.000 0.786 58 S HN 0.253 nan 8.310 nan 0.000 0.492 59 L N 1.945 123.152 121.223 -0.028 0.000 2.857 59 L HA 0.283 4.622 4.340 -0.000 0.000 0.249 59 L C 2.079 178.934 176.870 -0.024 0.000 1.172 59 L CA 0.364 55.192 54.840 -0.019 0.000 0.980 59 L CB 0.034 42.089 42.059 -0.007 0.000 1.299 59 L HN 0.437 nan 8.230 nan 0.000 0.535 60 S N -0.412 115.263 115.700 -0.041 0.000 2.481 60 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 60 S C 1.661 176.230 174.600 -0.051 0.000 0.996 60 S CA 0.502 58.666 58.200 -0.059 0.000 0.942 60 S CB -0.230 62.907 63.200 -0.105 0.000 0.768 60 S HN 0.454 nan 8.310 nan 0.000 0.520 61 L N 0.551 121.750 121.223 -0.040 0.000 2.478 61 L HA 0.277 4.617 4.340 -0.000 0.000 0.223 61 L C 0.400 177.257 176.870 -0.021 0.000 1.140 61 L CA 0.327 55.148 54.840 -0.031 0.000 0.842 61 L CB -0.350 41.692 42.059 -0.027 0.000 0.953 61 L HN 0.283 nan 8.230 nan 0.000 0.452 62 L N 1.095 122.308 121.223 -0.018 0.000 2.264 62 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 62 L C -2.151 174.714 176.870 -0.007 0.000 1.044 62 L CA -2.094 52.740 54.840 -0.010 0.000 0.807 62 L CB 0.808 42.864 42.059 -0.005 0.000 1.192 62 L HN -0.230 nan 8.230 nan 0.000 0.425 63 P HA 0.016 nan 4.420 nan 0.000 0.268 63 P C 0.413 177.713 177.300 0.001 0.000 1.208 63 P CA -0.081 63.017 63.100 -0.003 0.000 0.777 63 P CB 0.871 32.570 31.700 -0.002 0.000 0.875 64 A N 2.447 125.268 122.820 0.001 0.000 1.917 64 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 64 A C 2.040 179.628 177.584 0.007 0.000 1.182 64 A CA 2.770 54.809 52.037 0.004 0.000 0.633 64 A CB -2.154 16.847 19.000 0.001 0.000 0.819 64 A HN 0.661 nan 8.150 nan 0.000 0.448 65 T N -2.092 112.465 114.554 0.006 0.000 2.788 65 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 65 T C 1.827 176.532 174.700 0.010 0.000 1.044 65 T CA 1.799 63.904 62.100 0.009 0.000 1.139 65 T CB -0.215 68.657 68.868 0.007 0.000 0.867 65 T HN 0.387 nan 8.240 nan 0.000 0.454 66 K N 1.381 121.785 120.400 0.008 0.000 2.057 66 K HA 0.164 4.484 4.320 -0.000 0.000 0.206 66 K C 2.231 178.838 176.600 0.011 0.000 1.050 66 K CA 1.076 57.368 56.287 0.008 0.000 0.935 66 K CB -0.870 31.633 32.500 0.005 0.000 0.715 66 K HN 0.465 nan 8.250 nan 0.000 0.439 67 L N -0.327 120.903 121.223 0.012 0.000 2.042 67 L HA -0.124 4.215 4.340 -0.000 0.000 0.210 67 L C 2.444 179.326 176.870 0.021 0.000 1.076 67 L CA 1.555 56.405 54.840 0.016 0.000 0.749 67 L CB -1.085 40.984 42.059 0.017 0.000 0.893 67 L HN 0.456 nan 8.230 nan 0.000 0.432 68 G N -0.761 108.051 108.800 0.019 0.000 2.446 68 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 68 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 68 G C 1.745 176.658 174.900 0.022 0.000 1.168 68 G CA 1.053 46.166 45.100 0.022 0.000 0.771 68 G HN 0.351 nan 8.290 nan 0.000 0.551 69 S N 0.446 116.157 115.700 0.018 0.000 2.368 69 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 69 S C 2.296 176.908 174.600 0.019 0.000 1.030 69 S CA 1.032 59.242 58.200 0.017 0.000 0.999 69 S CB -0.233 62.976 63.200 0.014 0.000 0.844 69 S HN 0.393 nan 8.310 nan 0.000 0.459 70 I N 1.587 122.169 120.570 0.020 0.000 2.179 70 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 70 I C 2.658 178.793 176.117 0.029 0.000 1.088 70 I CA 1.237 62.551 61.300 0.023 0.000 1.357 70 I CB -0.446 37.567 38.000 0.023 0.000 1.051 70 I HN 0.268 nan 8.210 nan 0.000 0.409 71 A N 0.671 123.510 122.820 0.032 0.000 1.930 71 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 71 A C 2.301 179.906 177.584 0.036 0.000 1.175 71 A CA 1.390 53.450 52.037 0.038 0.000 0.627 71 A CB -0.739 18.286 19.000 0.042 0.000 0.815 71 A HN 0.384 nan 8.150 nan 0.000 0.443 72 I N -1.001 119.586 120.570 0.029 0.000 2.202 72 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 72 I C 2.799 178.929 176.117 0.022 0.000 1.091 72 I CA 1.664 62.978 61.300 0.024 0.000 1.368 72 I CB -0.343 37.669 38.000 0.020 0.000 1.058 72 I HN 0.479 nan 8.210 nan 0.000 0.410 73 Q N 0.817 120.630 119.800 0.021 0.000 2.096 73 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 73 Q C 2.225 178.240 176.000 0.024 0.000 0.982 73 Q CA 2.011 57.826 55.803 0.020 0.000 0.850 73 Q CB -0.312 28.437 28.738 0.019 0.000 0.901 73 Q HN 0.579 nan 8.270 nan 0.000 0.422 74 G N 0.076 108.894 108.800 0.030 0.000 2.418 74 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 74 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 74 G C 1.422 176.345 174.900 0.039 0.000 1.158 74 G CA 0.893 46.014 45.100 0.035 0.000 0.771 74 G HN 0.496 nan 8.290 nan 0.000 0.545 75 A N 0.705 123.550 122.820 0.040 0.000 1.902 75 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 75 A C 2.399 180.001 177.584 0.029 0.000 1.181 75 A CA 1.316 53.378 52.037 0.042 0.000 0.623 75 A CB -0.353 18.670 19.000 0.038 0.000 0.818 75 A HN 0.368 nan 8.150 nan 0.000 0.443 76 I N -0.605 119.977 120.570 0.021 0.000 2.286 76 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 76 I C 2.488 178.615 176.117 0.016 0.000 1.115 76 I CA 1.523 62.832 61.300 0.014 0.000 1.392 76 I CB -0.350 37.656 38.000 0.010 0.000 1.065 76 I HN 0.406 nan 8.210 nan 0.000 0.418 77 E N 0.706 120.919 120.200 0.020 0.000 2.038 77 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 77 E C 2.097 178.711 176.600 0.023 0.000 1.000 77 E CA 1.339 57.751 56.400 0.020 0.000 0.803 77 E CB 0.051 29.765 29.700 0.022 0.000 0.750 77 E HN 0.179 nan 8.360 nan 0.000 0.448 78 K N 0.194 120.613 120.400 0.032 0.000 2.148 78 K HA -0.045 4.274 4.320 -0.000 0.000 0.204 78 K C 1.676 178.295 176.600 0.031 0.000 1.050 78 K CA 1.034 57.344 56.287 0.039 0.000 0.942 78 K CB -0.195 32.341 32.500 0.060 0.000 0.724 78 K HN 0.124 nan 8.250 nan 0.000 0.446 79 A N -0.060 122.774 122.820 0.024 0.000 2.067 79 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 79 A C 1.360 178.950 177.584 0.008 0.000 1.158 79 A CA 1.101 53.146 52.037 0.013 0.000 0.661 79 A CB -0.787 18.217 19.000 0.007 0.000 0.801 79 A HN 0.365 nan 8.150 nan 0.000 0.452 80 G N -0.285 108.521 108.800 0.011 0.000 2.314 80 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.292 80 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.292 80 G C 0.039 174.941 174.900 0.004 0.000 1.059 80 G CA 0.635 45.740 45.100 0.007 0.000 0.982 80 G HN 1.521 nan 8.290 nan 0.000 0.505 81 I N -3.391 117.181 120.570 0.004 0.000 2.892 81 I HA 0.839 5.009 4.170 -0.000 0.000 0.306 81 I C -2.392 173.726 176.117 0.002 0.000 1.078 81 I CA -3.412 57.888 61.300 0.001 0.000 1.032 81 I CB 1.873 39.872 38.000 -0.002 0.000 1.229 81 I HN -0.104 nan 8.210 nan 0.000 0.435 82 P HA 0.247 nan 4.420 nan 0.000 0.271 82 P C -0.144 177.156 177.300 0.000 0.000 1.216 82 P CA -0.385 62.716 63.100 0.001 0.000 0.776 82 P CB 0.775 32.475 31.700 0.000 0.000 0.881 83 K N 1.295 121.695 120.400 0.002 0.000 2.152 83 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 83 K C 1.315 177.914 176.600 -0.001 0.000 1.048 83 K CA 1.554 57.842 56.287 0.001 0.000 0.933 83 K CB -0.066 32.436 32.500 0.003 0.000 0.721 83 K HN 0.464 nan 8.250 nan 0.000 0.447 84 E N 0.694 120.893 120.200 -0.001 0.000 2.338 84 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 84 E C 1.500 178.097 176.600 -0.004 0.000 1.007 84 E CA 0.728 57.127 56.400 -0.002 0.000 0.849 84 E CB 0.050 29.750 29.700 -0.001 0.000 0.774 84 E HN 0.190 nan 8.360 nan 0.000 0.506 85 E N 0.016 120.213 120.200 -0.005 0.000 2.285 85 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 85 E C 0.037 176.629 176.600 -0.013 0.000 0.997 85 E CA 0.197 56.592 56.400 -0.008 0.000 0.845 85 E CB 0.212 29.908 29.700 -0.007 0.000 0.782 85 E HN 0.063 nan 8.360 nan 0.000 0.491 86 V N 3.241 123.146 119.914 -0.014 0.000 2.446 86 V HA -0.020 4.100 4.120 -0.000 0.000 0.276 86 V C 1.320 177.400 176.094 -0.024 0.000 1.030 86 V CA 0.282 62.569 62.300 -0.023 0.000 1.033 86 V CB 1.022 32.833 31.823 -0.020 0.000 0.993 86 V HN 0.009 nan 8.190 nan 0.000 0.477 87 K N 3.294 123.674 120.400 -0.034 0.000 2.284 87 K HA 0.257 4.576 4.320 -0.000 0.000 0.198 87 K C 0.584 177.162 176.600 -0.037 0.000 1.048 87 K CA 0.433 56.703 56.287 -0.029 0.000 0.987 87 K CB 0.742 33.226 32.500 -0.026 0.000 0.800 87 K HN 0.779 nan 8.250 nan 0.000 0.486 88 E N -1.050 119.108 120.200 -0.070 0.000 2.407 88 E HA 0.562 4.912 4.350 -0.000 0.000 0.279 88 E C -1.985 174.533 176.600 -0.136 0.000 1.012 88 E CA -0.632 55.713 56.400 -0.091 0.000 0.800 88 E CB 2.160 31.783 29.700 -0.129 0.000 1.276 88 E HN 0.026 nan 8.360 nan 0.000 0.452 89 A N 2.276 125.046 122.820 -0.084 0.000 2.455 89 A HA 0.670 4.990 4.320 -0.000 0.000 0.300 89 A C -2.030 175.637 177.584 0.137 0.000 1.040 89 A CA -0.520 51.492 52.037 -0.042 0.000 0.697 89 A CB 0.925 19.931 19.000 0.011 0.000 1.265 89 A HN 0.424 nan 8.150 nan 0.000 0.407 90 Y N 1.899 122.196 120.300 -0.005 0.000 2.350 90 Y HA 0.684 5.234 4.550 -0.000 0.000 0.338 90 Y C -0.082 175.812 175.900 -0.009 0.000 0.961 90 Y CA -1.861 56.234 58.100 -0.009 0.000 1.100 90 Y CB 1.941 40.391 38.460 -0.017 0.000 1.179 90 Y HN 0.531 nan 8.280 nan 0.000 0.454 91 M N 2.467 122.150 119.600 0.138 0.000 2.327 91 M HA 0.426 4.906 4.480 -0.000 0.000 0.298 91 M C 0.363 176.684 176.300 0.035 0.000 1.065 91 M CA -0.752 54.592 55.300 0.073 0.000 0.916 91 M CB 1.999 34.631 32.600 0.053 0.000 1.630 91 M HN 0.770 nan 8.290 nan 0.000 0.442 92 G N 2.099 110.914 108.800 0.026 0.000 2.483 92 G HA2 0.372 4.331 3.960 -0.000 0.000 0.248 92 G HA3 0.372 4.331 3.960 -0.000 0.000 0.248 92 G C -0.334 174.566 174.900 0.000 0.000 1.248 92 G CA -0.257 44.846 45.100 0.005 0.000 0.838 92 G HN 0.878 nan 8.290 nan 0.000 0.566 93 N N 1.478 120.170 118.700 -0.013 0.000 3.429 93 N HA 0.021 4.761 4.740 -0.000 0.000 0.221 93 N C 0.275 175.766 175.510 -0.031 0.000 1.195 93 N CA -0.663 52.376 53.050 -0.019 0.000 0.938 93 N CB 1.318 39.798 38.487 -0.011 0.000 1.609 93 N HN 0.146 nan 8.380 nan 0.000 0.704 94 V N 2.989 122.878 119.914 -0.043 0.000 2.446 94 V HA 0.097 4.217 4.120 -0.000 0.000 0.244 94 V C 0.889 176.951 176.094 -0.054 0.000 1.039 94 V CA 0.923 63.191 62.300 -0.055 0.000 1.045 94 V CB -0.054 31.722 31.823 -0.077 0.000 0.681 94 V HN 0.586 nan 8.190 nan 0.000 0.459 95 L N 0.907 122.099 121.223 -0.053 0.000 2.426 95 L HA 0.345 4.685 4.340 -0.000 0.000 0.255 95 L C 0.832 177.680 176.870 -0.037 0.000 1.080 95 L CA 0.058 54.868 54.840 -0.050 0.000 0.960 95 L CB 0.804 42.827 42.059 -0.060 0.000 1.326 95 L HN 0.223 nan 8.230 nan 0.000 0.441 96 Q N 1.167 120.948 119.800 -0.031 0.000 2.425 96 Q HA 0.113 4.453 4.340 -0.000 0.000 0.204 96 Q C 1.302 177.291 176.000 -0.019 0.000 0.933 96 Q CA -0.045 55.745 55.803 -0.023 0.000 0.939 96 Q CB 0.521 29.247 28.738 -0.020 0.000 1.044 96 Q HN 0.724 nan 8.270 nan 0.000 0.513 97 G N -0.012 108.774 108.800 -0.023 0.000 2.313 97 G HA2 0.300 4.260 3.960 -0.000 0.000 0.250 97 G HA3 0.300 4.260 3.960 -0.000 0.000 0.250 97 G C 0.858 175.750 174.900 -0.014 0.000 1.281 97 G CA 0.245 45.335 45.100 -0.017 0.000 0.917 97 G HN 0.336 nan 8.290 nan 0.000 0.501 98 G N 1.773 110.569 108.800 -0.007 0.000 2.179 98 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 98 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 98 G C 0.871 175.768 174.900 -0.004 0.000 0.977 98 G CA 0.645 45.743 45.100 -0.003 0.000 0.641 98 G HN 0.689 nan 8.290 nan 0.000 0.533 99 E N 0.365 120.561 120.200 -0.006 0.000 2.482 99 E HA 0.386 4.735 4.350 -0.000 0.000 0.196 99 E C 1.528 178.128 176.600 -0.001 0.000 1.047 99 E CA 0.458 56.855 56.400 -0.004 0.000 0.869 99 E CB 0.070 29.767 29.700 -0.006 0.000 0.836 99 E HN 1.568 nan 8.360 nan 0.000 0.520 100 G N 1.602 110.401 108.800 -0.001 0.000 2.712 100 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.683 100 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.683 100 G C -0.679 174.222 174.900 0.001 0.000 1.320 100 G CA -0.699 44.401 45.100 0.001 0.000 0.847 100 G HN 0.182 nan 8.290 nan 0.000 0.553 101 Q N 0.135 119.936 119.800 0.002 0.000 2.337 101 Q HA 0.463 4.803 4.340 -0.000 0.000 0.270 101 Q C 1.049 177.051 176.000 0.003 0.000 1.002 101 Q CA 0.830 56.634 55.803 0.002 0.000 0.888 101 Q CB 0.311 29.051 28.738 0.003 0.000 1.222 101 Q HN 2.475 nan 8.270 nan 0.000 0.400 102 A N 4.733 127.555 122.820 0.003 0.000 2.136 102 A HA -0.137 4.183 4.320 -0.000 0.000 0.274 102 A C -2.004 175.585 177.584 0.008 0.000 1.388 102 A CA 0.157 52.198 52.037 0.006 0.000 0.741 102 A CB -1.227 17.778 19.000 0.010 0.000 1.173 102 A HN 0.804 nan 8.150 nan 0.000 0.329 103 P HA -0.183 nan 4.420 nan 0.000 0.216 103 P C 1.824 179.133 177.300 0.014 0.000 1.157 103 P CA 2.156 65.260 63.100 0.007 0.000 0.880 103 P CB -0.039 31.663 31.700 0.003 0.000 0.791 104 T N -0.852 113.714 114.554 0.020 0.000 2.759 104 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 104 T C 1.891 176.609 174.700 0.031 0.000 1.042 104 T CA 1.514 63.633 62.100 0.032 0.000 1.140 104 T CB -0.505 68.394 68.868 0.050 0.000 0.864 104 T HN 0.029 nan 8.240 nan 0.000 0.455 105 R N 1.332 121.848 120.500 0.027 0.000 2.081 105 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 105 R C 2.446 178.757 176.300 0.017 0.000 1.131 105 R CA 1.559 57.672 56.100 0.023 0.000 0.960 105 R CB -0.442 29.869 30.300 0.020 0.000 0.856 105 R HN 0.488 nan 8.270 nan 0.000 0.436 106 Q N -0.796 119.013 119.800 0.015 0.000 2.096 106 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 106 Q C 2.075 178.083 176.000 0.013 0.000 0.982 106 Q CA 1.724 57.534 55.803 0.012 0.000 0.850 106 Q CB -0.194 28.549 28.738 0.009 0.000 0.901 106 Q HN 0.478 nan 8.270 nan 0.000 0.422 107 A N 0.191 123.021 122.820 0.016 0.000 1.897 107 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 107 A C 2.320 179.914 177.584 0.017 0.000 1.181 107 A CA 1.041 53.088 52.037 0.017 0.000 0.620 107 A CB -0.540 18.472 19.000 0.020 0.000 0.821 107 A HN 0.190 nan 8.150 nan 0.000 0.443 108 V N 0.236 120.161 119.914 0.019 0.000 2.270 108 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 108 V C 2.561 178.663 176.094 0.013 0.000 1.043 108 V CA 1.911 64.221 62.300 0.017 0.000 1.014 108 V CB -0.711 31.124 31.823 0.019 0.000 0.645 108 V HN 0.562 nan 8.190 nan 0.000 0.447 109 L N 0.346 121.577 121.223 0.013 0.000 2.131 109 L HA -0.075 4.264 4.340 -0.000 0.000 0.210 109 L C 2.564 179.440 176.870 0.009 0.000 1.092 109 L CA 1.565 56.411 54.840 0.010 0.000 0.759 109 L CB -1.083 40.982 42.059 0.010 0.000 0.903 109 L HN 0.497 nan 8.230 nan 0.000 0.435 110 G N -0.445 108.362 108.800 0.010 0.000 2.471 110 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 110 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 110 G C 1.603 176.509 174.900 0.010 0.000 1.125 110 G CA 0.692 45.798 45.100 0.010 0.000 0.775 110 G HN 0.463 nan 8.290 nan 0.000 0.548 111 A N -0.470 122.357 122.820 0.011 0.000 2.208 111 A HA 0.472 4.792 4.320 -0.000 0.000 0.209 111 A C 1.968 179.558 177.584 0.010 0.000 1.161 111 A CA 1.297 53.342 52.037 0.012 0.000 0.782 111 A CB -0.302 18.706 19.000 0.013 0.000 0.816 111 A HN 1.532 nan 8.150 nan 0.000 0.477 112 G N -1.629 107.176 108.800 0.009 0.000 2.132 112 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.234 112 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.234 112 G C -0.135 174.769 174.900 0.007 0.000 0.989 112 G CA 0.127 45.231 45.100 0.007 0.000 0.676 112 G HN 0.309 nan 8.290 nan 0.000 0.522 113 L N 1.033 122.260 121.223 0.007 0.000 2.464 113 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 113 L C -1.407 175.466 176.870 0.005 0.000 1.199 113 L CA -1.645 53.198 54.840 0.005 0.000 0.818 113 L CB -0.041 42.021 42.059 0.005 0.000 1.102 113 L HN -0.078 nan 8.230 nan 0.000 0.473 114 P HA 0.016 nan 4.420 nan 0.000 0.267 114 P C 0.745 178.048 177.300 0.005 0.000 1.200 114 P CA -0.114 62.989 63.100 0.004 0.000 0.772 114 P CB 0.288 31.990 31.700 0.002 0.000 0.855 115 I N 0.288 120.861 120.570 0.005 0.000 2.850 115 I HA -0.173 3.997 4.170 -0.000 0.000 0.266 115 I C 1.402 177.523 176.117 0.007 0.000 1.257 115 I CA 1.560 62.864 61.300 0.006 0.000 1.465 115 I CB -1.425 36.578 38.000 0.006 0.000 1.091 115 I HN 0.193 nan 8.210 nan 0.000 0.467 116 S N -1.034 114.670 115.700 0.006 0.000 2.593 116 S HA 0.124 4.594 4.470 -0.000 0.000 0.217 116 S C 0.840 175.444 174.600 0.006 0.000 0.966 116 S CA -0.237 57.967 58.200 0.005 0.000 0.914 116 S CB -1.186 62.017 63.200 0.003 0.000 0.776 116 S HN 0.444 nan 8.310 nan 0.000 0.523 117 T N 5.248 119.806 114.554 0.007 0.000 2.738 117 T HA 0.377 4.727 4.350 -0.000 0.000 0.294 117 T C -2.638 172.072 174.700 0.017 0.000 0.914 117 T CA -1.100 61.004 62.100 0.007 0.000 1.052 117 T CB 0.722 69.593 68.868 0.005 0.000 0.897 117 T HN 0.221 nan 8.240 nan 0.000 0.522 118 P HA 0.322 nan 4.420 nan 0.000 0.269 118 P C -0.792 176.547 177.300 0.065 0.000 1.209 118 P CA -0.469 62.656 63.100 0.042 0.000 0.776 118 P CB 0.414 32.143 31.700 0.049 0.000 0.876 119 C N 1.691 121.040 119.300 0.081 0.000 2.609 119 C HA 0.655 5.115 4.460 -0.000 0.000 0.313 119 C C -0.366 174.692 174.990 0.114 0.000 1.175 119 C CA -0.163 58.918 59.018 0.105 0.000 1.434 119 C CB 1.698 29.477 27.740 0.064 0.000 2.005 119 C HN 0.502 nan 8.230 nan 0.000 0.471 120 T N 1.887 116.536 114.554 0.160 0.000 2.916 120 T HA 0.523 4.873 4.350 -0.000 0.000 0.298 120 T C -0.486 174.219 174.700 0.008 0.000 1.031 120 T CA -0.316 61.807 62.100 0.039 0.000 0.993 120 T CB 1.738 70.545 68.868 -0.103 0.000 1.045 120 T HN 0.628 nan 8.240 nan 0.000 0.454 121 T N 3.911 118.449 114.554 -0.026 0.000 2.767 121 T HA 0.541 4.891 4.350 -0.000 0.000 0.284 121 T C -0.192 174.471 174.700 -0.062 0.000 0.973 121 T CA -0.675 61.410 62.100 -0.025 0.000 0.996 121 T CB 0.387 69.247 68.868 -0.013 0.000 0.927 121 T HN 0.306 nan 8.240 nan 0.000 0.456 122 I N 3.766 124.300 120.570 -0.059 0.000 2.404 122 I HA 0.435 4.605 4.170 -0.000 0.000 0.293 122 I C 0.072 176.159 176.117 -0.050 0.000 0.992 122 I CA -1.032 60.219 61.300 -0.080 0.000 1.149 122 I CB 1.550 39.496 38.000 -0.090 0.000 1.315 122 I HN 0.547 nan 8.210 nan 0.000 0.446 123 N N 5.428 124.099 118.700 -0.049 0.000 2.576 123 N HA 0.213 4.953 4.740 -0.000 0.000 0.269 123 N C -0.535 174.957 175.510 -0.031 0.000 1.058 123 N CA -0.237 52.790 53.050 -0.038 0.000 0.860 123 N CB 1.119 39.584 38.487 -0.037 0.000 1.249 123 N HN 0.573 nan 8.380 nan 0.000 0.525 124 K N 4.077 124.462 120.400 -0.025 0.000 3.045 124 K HA 0.220 4.540 4.320 -0.000 0.000 0.211 124 K C 0.131 176.722 176.600 -0.016 0.000 1.141 124 K CA -0.404 55.875 56.287 -0.014 0.000 1.036 124 K CB -0.097 32.400 32.500 -0.004 0.000 0.851 124 K HN 0.348 nan 8.250 nan 0.000 0.462 125 V N -1.169 118.726 119.914 -0.032 0.000 0.690 125 V HA -0.557 3.563 4.120 -0.000 0.000 0.092 125 V C 1.640 177.711 176.094 -0.039 0.000 0.775 125 V CA 1.597 63.866 62.300 -0.052 0.000 3.098 125 V CB -1.585 30.195 31.823 -0.071 0.000 0.186 125 V HN 0.551 nan 8.190 nan 0.000 0.077 126 C N 0.807 120.086 119.300 -0.034 0.000 2.419 126 C HA 0.142 4.601 4.460 -0.000 0.000 0.283 126 C C 2.716 177.744 174.990 0.062 0.000 1.373 126 C CA 1.151 60.185 59.018 0.026 0.000 1.781 126 C CB -1.833 25.957 27.740 0.083 0.000 1.886 126 C HN 1.044 nan 8.230 nan 0.000 0.520 127 A N 0.094 122.937 122.820 0.038 0.000 2.208 127 A HA 0.019 4.339 4.320 -0.000 0.000 0.209 127 A C 2.087 179.687 177.584 0.025 0.000 1.161 127 A CA 1.180 53.243 52.037 0.043 0.000 0.782 127 A CB -0.412 18.614 19.000 0.044 0.000 0.816 127 A HN 0.523 nan 8.150 nan 0.000 0.477 128 S N 0.266 115.973 115.700 0.012 0.000 2.381 128 S HA -0.215 4.255 4.470 -0.000 0.000 0.230 128 S C 2.072 176.677 174.600 0.008 0.000 1.052 128 S CA 1.629 59.828 58.200 -0.000 0.000 1.068 128 S CB -0.737 62.457 63.200 -0.010 0.000 0.918 128 S HN 0.783 nan 8.310 nan 0.000 0.448 129 G N 0.656 109.469 108.800 0.022 0.000 2.432 129 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.219 129 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.219 129 G C 1.359 176.271 174.900 0.020 0.000 1.135 129 G CA 0.997 46.114 45.100 0.028 0.000 0.767 129 G HN 0.458 nan 8.290 nan 0.000 0.550 130 M N -0.487 119.123 119.600 0.017 0.000 2.216 130 M HA 0.166 4.646 4.480 -0.000 0.000 0.264 130 M C 2.500 178.777 176.300 -0.039 0.000 1.080 130 M CA 1.458 56.758 55.300 -0.001 0.000 1.153 130 M CB 0.056 32.668 32.600 0.021 0.000 1.356 130 M HN 0.136 nan 8.290 nan 0.000 0.432 131 K N 1.012 121.396 120.400 -0.027 0.000 2.103 131 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 131 K C 1.661 178.229 176.600 -0.053 0.000 1.048 131 K CA 1.891 58.149 56.287 -0.049 0.000 0.930 131 K CB -0.677 31.808 32.500 -0.026 0.000 0.716 131 K HN 0.433 nan 8.250 nan 0.000 0.444 132 A N 0.644 123.456 122.820 -0.013 0.000 1.883 132 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 132 A C 2.260 179.884 177.584 0.068 0.000 1.186 132 A CA 1.948 54.018 52.037 0.056 0.000 0.624 132 A CB -0.714 18.332 19.000 0.075 0.000 0.822 132 A HN 0.356 nan 8.150 nan 0.000 0.444 133 I N -1.002 119.555 120.570 -0.022 0.000 2.226 133 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 133 I C 2.728 178.717 176.117 -0.213 0.000 1.100 133 I CA 1.611 62.864 61.300 -0.079 0.000 1.374 133 I CB -0.359 37.595 38.000 -0.076 0.000 1.057 133 I HN 0.336 nan 8.210 nan 0.000 0.413 134 M N -0.302 119.080 119.600 -0.363 0.000 2.086 134 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 134 M C 2.401 178.420 176.300 -0.468 0.000 1.067 134 M CA 2.049 56.847 55.300 -0.837 0.000 1.116 134 M CB -0.325 31.834 32.600 -0.734 0.000 1.348 134 M HN 0.195 nan 8.290 nan 0.000 0.407 135 M N -0.612 118.911 119.600 -0.129 0.000 2.200 135 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 135 M C 2.447 178.895 176.300 0.247 0.000 1.066 135 M CA 1.357 56.706 55.300 0.080 0.000 1.127 135 M CB -0.515 32.124 32.600 0.066 0.000 1.379 135 M HN 0.350 nan 8.290 nan 0.000 0.420 136 A N 0.095 123.035 122.820 0.200 0.000 1.877 136 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 136 A C 2.299 179.857 177.584 -0.044 0.000 1.186 136 A CA 2.195 54.199 52.037 -0.054 0.000 0.620 136 A CB -0.893 18.019 19.000 -0.146 0.000 0.822 136 A HN 0.434 nan 8.150 nan 0.000 0.443 137 S N -0.316 115.352 115.700 -0.054 0.000 2.383 137 S HA -0.242 4.227 4.470 -0.000 0.000 0.229 137 S C 2.081 176.740 174.600 0.098 0.000 1.030 137 S CA 1.725 59.934 58.200 0.015 0.000 1.002 137 S CB -0.337 62.876 63.200 0.021 0.000 0.829 137 S HN 0.710 nan 8.310 nan 0.000 0.467 138 Q N 0.449 120.319 119.800 0.118 0.000 2.079 138 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 138 Q C 2.489 178.521 176.000 0.053 0.000 0.974 138 Q CA 1.353 57.242 55.803 0.144 0.000 0.840 138 Q CB -0.279 28.562 28.738 0.171 0.000 0.898 138 Q HN 0.488 nan 8.270 nan 0.000 0.430 139 S N 0.567 116.305 115.700 0.065 0.000 2.353 139 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 139 S C 1.911 176.493 174.600 -0.030 0.000 1.035 139 S CA 1.078 59.303 58.200 0.042 0.000 1.025 139 S CB -0.270 62.974 63.200 0.073 0.000 0.902 139 S HN 0.293 nan 8.310 nan 0.000 0.440 140 L N 0.687 121.898 121.223 -0.020 0.000 2.042 140 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 140 L C 2.801 179.653 176.870 -0.030 0.000 1.076 140 L CA 1.746 56.572 54.840 -0.023 0.000 0.749 140 L CB -0.536 41.513 42.059 -0.017 0.000 0.893 140 L HN 0.384 nan 8.230 nan 0.000 0.432 141 M N -1.325 118.266 119.600 -0.015 0.000 2.149 141 M HA -0.251 4.229 4.480 -0.000 0.000 0.261 141 M C 2.319 178.570 176.300 -0.082 0.000 1.064 141 M CA 1.490 56.778 55.300 -0.021 0.000 1.102 141 M CB -0.571 32.042 32.600 0.022 0.000 1.369 141 M HN 0.379 nan 8.290 nan 0.000 0.408 142 C N 0.160 119.352 119.300 -0.181 0.000 2.472 142 C HA 0.098 4.558 4.460 -0.000 0.000 0.278 142 C C 1.780 176.583 174.990 -0.312 0.000 1.447 142 C CA 0.757 59.554 59.018 -0.368 0.000 1.773 142 C CB -1.565 25.648 27.740 -0.880 0.000 1.793 142 C HN 0.875 nan 8.230 nan 0.000 0.544 143 G N -0.370 108.338 108.800 -0.152 0.000 2.143 143 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.248 143 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.248 143 G C 0.315 175.266 174.900 0.085 0.000 0.991 143 G CA 0.681 45.767 45.100 -0.024 0.000 0.689 143 G HN 0.742 nan 8.290 nan 0.000 0.522 144 H N -0.763 118.314 119.070 0.012 0.000 2.512 144 H HA 0.173 4.729 4.556 -0.000 0.000 0.279 144 H C 1.179 176.505 175.328 -0.002 0.000 0.999 144 H CA 0.992 57.047 56.048 0.011 0.000 1.283 144 H CB 0.310 30.086 29.762 0.023 0.000 1.421 144 H HN 0.378 nan 8.280 nan 0.000 0.554 145 Q N 0.194 120.051 119.800 0.096 0.000 2.462 145 Q HA 0.055 4.395 4.340 -0.000 0.000 0.285 145 Q C -0.428 175.576 176.000 0.007 0.000 1.035 145 Q CA -0.304 55.517 55.803 0.031 0.000 0.799 145 Q CB 2.129 30.861 28.738 -0.010 0.000 1.452 145 Q HN 0.346 nan 8.270 nan 0.000 0.404 146 D N -1.284 119.113 120.400 -0.004 0.000 2.454 146 D HA 0.137 4.777 4.640 -0.000 0.000 0.214 146 D C 0.153 176.441 176.300 -0.020 0.000 1.088 146 D CA 0.245 54.239 54.000 -0.009 0.000 0.855 146 D CB 0.935 41.733 40.800 -0.003 0.000 1.025 146 D HN 0.128 nan 8.370 nan 0.000 0.502 147 V N 0.964 120.860 119.914 -0.029 0.000 2.733 147 V HA 0.498 4.618 4.120 -0.000 0.000 0.306 147 V C -0.638 175.421 176.094 -0.059 0.000 1.084 147 V CA -0.578 61.699 62.300 -0.037 0.000 0.905 147 V CB 2.040 33.847 31.823 -0.027 0.000 1.010 147 V HN 0.066 nan 8.190 nan 0.000 0.424 148 M N 3.449 123.003 119.600 -0.076 0.000 2.575 148 M HA 0.640 5.120 4.480 -0.000 0.000 0.284 148 M C -1.353 174.893 176.300 -0.089 0.000 1.253 148 M CA -0.877 54.354 55.300 -0.115 0.000 0.861 148 M CB 2.771 35.250 32.600 -0.201 0.000 1.733 148 M HN 0.348 nan 8.290 nan 0.000 0.462 149 V N 1.611 121.473 119.914 -0.086 0.000 2.427 149 V HA 0.860 4.980 4.120 -0.000 0.000 0.286 149 V C -0.376 175.686 176.094 -0.053 0.000 1.034 149 V CA -0.413 61.857 62.300 -0.050 0.000 0.893 149 V CB 1.397 33.207 31.823 -0.022 0.000 0.982 149 V HN 0.910 nan 8.190 nan 0.000 0.452 150 A N 3.364 126.171 122.820 -0.023 0.000 2.486 150 A HA 1.015 5.335 4.320 -0.000 0.000 0.300 150 A C -0.008 177.592 177.584 0.027 0.000 1.048 150 A CA 0.175 52.219 52.037 0.011 0.000 0.696 150 A CB 2.058 21.056 19.000 -0.002 0.000 1.278 150 A HN 1.313 nan 8.150 nan 0.000 0.405 151 G N -0.307 108.521 108.800 0.047 0.000 2.474 151 G HA2 0.743 4.703 3.960 -0.000 0.000 0.234 151 G HA3 0.743 4.703 3.960 -0.000 0.000 0.234 151 G C -0.284 174.641 174.900 0.042 0.000 1.204 151 G CA 0.404 45.528 45.100 0.041 0.000 0.939 151 G HN 1.948 nan 8.290 nan 0.000 0.491 152 G N -0.645 108.178 108.800 0.039 0.000 2.698 152 G HA2 0.747 4.707 3.960 -0.000 0.000 0.293 152 G HA3 0.747 4.707 3.960 -0.000 0.000 0.293 152 G C -0.780 174.137 174.900 0.029 0.000 1.437 152 G CA -0.057 45.062 45.100 0.032 0.000 0.852 152 G HN 1.415 nan 8.290 nan 0.000 0.499 153 M N -0.337 119.274 119.600 0.019 0.000 2.465 153 M HA 0.913 5.393 4.480 -0.000 0.000 0.284 153 M C -1.711 174.591 176.300 0.003 0.000 1.212 153 M CA -0.981 54.328 55.300 0.015 0.000 0.910 153 M CB 2.798 35.408 32.600 0.016 0.000 1.725 153 M HN 0.471 nan 8.290 nan 0.000 0.477 154 E N 0.646 120.848 120.200 0.002 0.000 2.381 154 E HA 0.464 4.814 4.350 -0.000 0.000 0.286 154 E C -1.973 174.629 176.600 0.003 0.000 0.960 154 E CA -0.137 56.258 56.400 -0.008 0.000 0.793 154 E CB 2.471 32.153 29.700 -0.029 0.000 1.225 154 E HN 0.719 nan 8.360 nan 0.000 0.420 155 S N 4.904 120.607 115.700 0.005 0.000 2.532 155 S HA 0.294 4.763 4.470 -0.000 0.000 0.256 155 S C 0.634 175.255 174.600 0.035 0.000 1.298 155 S CA -0.367 57.844 58.200 0.019 0.000 1.166 155 S CB 0.106 63.311 63.200 0.008 0.000 1.022 155 S HN 0.694 nan 8.310 nan 0.000 0.480 156 M N 1.879 121.521 119.600 0.071 0.000 2.296 156 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 156 M C 2.220 178.682 176.300 0.270 0.000 1.064 156 M CA 0.969 56.344 55.300 0.126 0.000 1.109 156 M CB -0.377 32.278 32.600 0.092 0.000 1.396 156 M HN 0.540 nan 8.290 nan 0.000 0.430 157 S N 0.978 116.793 115.700 0.191 0.000 2.387 157 S HA -0.110 4.360 4.470 -0.000 0.000 0.230 157 S C 1.434 176.007 174.600 -0.046 0.000 1.035 157 S CA 1.212 59.382 58.200 -0.050 0.000 1.014 157 S CB -0.347 62.774 63.200 -0.133 0.000 0.836 157 S HN 0.508 nan 8.310 nan 0.000 0.466 158 N N 0.853 119.550 118.700 -0.006 0.000 2.236 158 N HA 0.142 4.882 4.740 -0.000 0.000 0.196 158 N C -0.450 175.048 175.510 -0.021 0.000 1.114 158 N CA 0.071 53.109 53.050 -0.020 0.000 0.859 158 N CB 0.445 38.922 38.487 -0.018 0.000 0.982 158 N HN 0.155 nan 8.380 nan 0.000 0.493 159 V N 4.539 124.445 119.914 -0.014 0.000 2.529 159 V HA 0.072 4.191 4.120 -0.000 0.000 0.292 159 V C -1.466 174.549 176.094 -0.131 0.000 1.028 159 V CA -0.658 61.609 62.300 -0.055 0.000 1.074 159 V CB 0.582 32.375 31.823 -0.050 0.000 0.958 159 V HN 0.138 nan 8.190 nan 0.000 0.481 160 P HA 0.356 nan 4.420 nan 0.000 0.282 160 P C -1.239 175.917 177.300 -0.240 0.000 1.287 160 P CA -0.567 62.458 63.100 -0.126 0.000 0.792 160 P CB 0.792 32.485 31.700 -0.012 0.000 1.163 161 Y N -1.222 119.091 120.300 0.022 0.000 2.376 161 Y HA 0.430 4.980 4.550 -0.000 0.000 0.325 161 Y C 0.751 176.657 175.900 0.010 0.000 1.199 161 Y CA -0.529 57.582 58.100 0.019 0.000 1.206 161 Y CB 1.365 39.837 38.460 0.020 0.000 1.229 161 Y HN 0.112 nan 8.280 nan 0.000 0.480 162 V N 0.625 120.633 119.914 0.158 0.000 2.815 162 V HA 0.643 4.763 4.120 -0.000 0.000 0.314 162 V C -0.655 175.485 176.094 0.076 0.000 1.064 162 V CA -1.179 61.175 62.300 0.088 0.000 0.952 162 V CB 2.026 33.877 31.823 0.047 0.000 1.020 162 V HN 0.861 nan 8.190 nan 0.000 0.439 163 M N 3.313 122.943 119.600 0.050 0.000 2.253 163 M HA 0.554 5.034 4.480 -0.000 0.000 0.314 163 M C -0.710 175.604 176.300 0.023 0.000 1.019 163 M CA -0.528 54.791 55.300 0.033 0.000 0.932 163 M CB 1.575 34.190 32.600 0.025 0.000 1.606 163 M HN 0.905 nan 8.290 nan 0.000 0.430 164 N N 3.417 122.129 118.700 0.019 0.000 2.374 164 N HA 0.038 4.778 4.740 -0.000 0.000 0.241 164 N C -0.442 175.075 175.510 0.013 0.000 1.262 164 N CA 0.232 53.290 53.050 0.014 0.000 0.880 164 N CB 0.420 38.915 38.487 0.012 0.000 1.105 164 N HN 0.625 nan 8.380 nan 0.000 0.438 165 R N 0.342 120.848 120.500 0.011 0.000 2.543 165 R HA 0.416 4.756 4.340 -0.000 0.000 0.277 165 R C 0.695 177.001 176.300 0.010 0.000 1.074 165 R CA 0.597 56.703 56.100 0.010 0.000 1.076 165 R CB -0.031 30.274 30.300 0.008 0.000 0.993 165 R HN 0.765 nan 8.270 nan 0.000 0.459 166 G N 0.966 109.772 108.800 0.010 0.000 2.255 166 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 166 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 166 G C -1.313 173.595 174.900 0.013 0.000 1.307 166 G CA -0.223 44.884 45.100 0.011 0.000 1.162 166 G HN 0.630 nan 8.290 nan 0.000 0.494 167 S N 0.121 115.830 115.700 0.015 0.000 2.437 167 S HA 0.640 5.110 4.470 -0.000 0.000 0.305 167 S C 0.428 175.041 174.600 0.021 0.000 1.109 167 S CA 0.549 58.760 58.200 0.018 0.000 1.099 167 S CB 0.596 63.808 63.200 0.021 0.000 1.004 167 S HN 1.113 nan 8.310 nan 0.000 0.475 168 T N 7.144 121.710 114.554 0.020 0.000 2.853 168 T HA 0.259 4.609 4.350 -0.000 0.000 0.298 168 T C -2.169 172.550 174.700 0.030 0.000 0.978 168 T CA -0.737 61.373 62.100 0.017 0.000 1.152 168 T CB 0.040 68.913 68.868 0.008 0.000 0.914 168 T HN 0.554 nan 8.240 nan 0.000 0.539 169 P HA 0.104 nan 4.420 nan 0.000 0.275 169 P C -0.408 176.931 177.300 0.065 0.000 1.227 169 P CA -0.685 62.448 63.100 0.055 0.000 0.781 169 P CB 0.366 32.090 31.700 0.042 0.000 0.906 170 Y N 1.887 122.187 120.300 0.001 0.000 2.895 170 Y HA 0.200 4.749 4.550 -0.000 0.000 0.334 170 Y C 1.639 177.539 175.900 0.000 0.000 1.261 170 Y CA 2.155 60.255 58.100 0.000 0.000 1.560 170 Y CB -0.212 38.248 38.460 0.000 0.000 1.253 170 Y HN 0.867 nan 8.280 nan 0.000 0.582 171 G N 2.070 110.431 108.800 -0.731 0.000 2.213 171 G HA2 0.148 4.108 3.960 -0.000 0.000 0.226 171 G HA3 0.148 4.108 3.960 -0.000 0.000 0.226 171 G C 0.635 175.388 174.900 -0.245 0.000 0.992 171 G CA 0.199 44.987 45.100 -0.520 0.000 0.632 171 G HN 2.199 nan 8.290 nan 0.000 0.511 172 G N -2.315 106.383 108.800 -0.170 0.000 2.434 172 G HA2 0.438 4.398 3.960 -0.000 0.000 0.671 172 G HA3 0.438 4.398 3.960 -0.000 0.000 0.671 172 G C -0.704 174.161 174.900 -0.058 0.000 1.280 172 G CA 0.434 45.473 45.100 -0.102 0.000 0.975 172 G HN 1.807 nan 8.290 nan 0.000 0.510 173 V N -0.123 119.765 119.914 -0.043 0.000 3.120 173 V HA 0.751 4.871 4.120 -0.000 0.000 0.303 173 V C -0.438 175.641 176.094 -0.024 0.000 1.238 173 V CA -0.658 61.627 62.300 -0.025 0.000 1.008 173 V CB 2.003 33.818 31.823 -0.013 0.000 1.064 173 V HN 1.049 nan 8.190 nan 0.000 0.434 174 K N 5.354 125.746 120.400 -0.013 0.000 2.248 174 K HA 0.506 4.826 4.320 -0.000 0.000 0.281 174 K C -0.887 175.716 176.600 0.006 0.000 1.054 174 K CA -0.517 55.765 56.287 -0.009 0.000 0.903 174 K CB 0.707 33.209 32.500 0.003 0.000 1.077 174 K HN 0.648 nan 8.250 nan 0.000 0.474 175 L N 4.240 125.461 121.223 -0.002 0.000 2.367 175 L HA 0.187 4.527 4.340 -0.000 0.000 0.275 175 L C 0.486 177.416 176.870 0.101 0.000 1.129 175 L CA -0.038 54.823 54.840 0.036 0.000 0.839 175 L CB 0.645 42.711 42.059 0.011 0.000 1.133 175 L HN 0.606 nan 8.230 nan 0.000 0.453 176 E N 1.680 121.957 120.200 0.129 0.000 2.319 176 E HA 0.096 4.446 4.350 -0.000 0.000 0.268 176 E C -0.723 176.017 176.600 0.235 0.000 1.050 176 E CA -0.634 55.856 56.400 0.150 0.000 0.878 176 E CB 1.377 31.124 29.700 0.077 0.000 1.066 176 E HN 0.395 nan 8.360 nan 0.000 0.406 177 D N 2.664 123.186 120.400 0.203 0.000 2.316 177 D HA 0.056 4.696 4.640 -0.000 0.000 0.245 177 D C 0.828 177.100 176.300 -0.046 0.000 1.171 177 D CA 0.012 54.037 54.000 0.042 0.000 0.856 177 D CB 0.992 41.843 40.800 0.086 0.000 1.090 177 D HN 0.434 nan 8.370 nan 0.000 0.476 178 L N 4.092 125.248 121.223 -0.113 0.000 2.201 178 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 178 L C 2.268 179.085 176.870 -0.089 0.000 1.105 178 L CA 0.552 55.343 54.840 -0.081 0.000 0.775 178 L CB -0.134 41.876 42.059 -0.081 0.000 0.913 178 L HN 0.563 nan 8.230 nan 0.000 0.440 179 I N -0.846 119.658 120.570 -0.109 0.000 2.163 179 I HA -0.306 3.863 4.170 -0.000 0.000 0.243 179 I C 2.412 178.474 176.117 -0.092 0.000 1.085 179 I CA 1.311 62.547 61.300 -0.107 0.000 1.347 179 I CB -0.356 37.569 38.000 -0.125 0.000 1.044 179 I HN 0.036 nan 8.210 nan 0.000 0.408 180 V N 0.655 120.536 119.914 -0.055 0.000 2.323 180 V HA -0.253 3.867 4.120 -0.000 0.000 0.244 180 V C 2.481 178.546 176.094 -0.049 0.000 1.041 180 V CA 1.849 64.134 62.300 -0.025 0.000 1.025 180 V CB -0.627 31.221 31.823 0.041 0.000 0.656 180 V HN 0.387 nan 8.190 nan 0.000 0.451 181 K N -0.278 120.098 120.400 -0.040 0.000 2.044 181 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 181 K C 1.701 178.259 176.600 -0.070 0.000 1.049 181 K CA 1.720 57.981 56.287 -0.043 0.000 0.945 181 K CB -0.057 32.429 32.500 -0.023 0.000 0.724 181 K HN 0.405 nan 8.250 nan 0.000 0.440 182 D N -1.103 119.252 120.400 -0.074 0.000 2.301 182 D HA 0.018 4.657 4.640 -0.000 0.000 0.206 182 D C 1.607 177.844 176.300 -0.105 0.000 0.979 182 D CA 0.829 54.779 54.000 -0.083 0.000 0.874 182 D CB 0.286 41.044 40.800 -0.069 0.000 0.968 182 D HN 0.408 nan 8.370 nan 0.000 0.510 183 G N -0.059 108.669 108.800 -0.119 0.000 2.490 183 G HA2 0.049 4.009 3.960 -0.000 0.000 0.211 183 G HA3 0.049 4.009 3.960 -0.000 0.000 0.211 183 G C 1.367 176.151 174.900 -0.193 0.000 1.159 183 G CA 0.017 45.028 45.100 -0.148 0.000 0.819 183 G HN 0.202 nan 8.290 nan 0.000 0.539 184 L N 0.554 121.646 121.223 -0.218 0.000 2.858 184 L HA 0.270 4.610 4.340 -0.000 0.000 0.251 184 L C 0.026 176.657 176.870 -0.398 0.000 1.149 184 L CA 0.113 54.733 54.840 -0.368 0.000 0.955 184 L CB 1.104 42.897 42.059 -0.445 0.000 1.289 184 L HN -0.042 nan 8.230 nan 0.000 0.542 185 T N -0.082 114.338 114.554 -0.224 0.000 2.758 185 T HA 0.153 4.503 4.350 -0.000 0.000 0.285 185 T C -0.528 174.093 174.700 -0.132 0.000 0.981 185 T CA -0.384 61.627 62.100 -0.149 0.000 0.965 185 T CB 1.795 70.614 68.868 -0.082 0.000 0.927 185 T HN -0.031 nan 8.240 nan 0.000 0.448 186 D N 2.510 122.857 120.400 -0.089 0.000 2.450 186 D HA 0.077 4.717 4.640 -0.000 0.000 0.247 186 D C 1.261 177.472 176.300 -0.148 0.000 1.162 186 D CA -0.071 53.894 54.000 -0.057 0.000 0.879 186 D CB 0.834 41.672 40.800 0.063 0.000 1.163 186 D HN 0.167 nan 8.370 nan 0.000 0.472 187 V N 4.024 123.715 119.914 -0.372 0.000 2.343 187 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 187 V C 1.241 177.014 176.094 -0.536 0.000 1.051 187 V CA 1.615 63.558 62.300 -0.595 0.000 1.036 187 V CB -0.856 30.384 31.823 -0.971 0.000 0.654 187 V HN 0.683 nan 8.190 nan 0.000 0.451 188 Y N -0.429 119.877 120.300 0.011 0.000 2.347 188 Y HA 0.120 4.670 4.550 -0.000 0.000 0.294 188 Y C 2.284 178.196 175.900 0.020 0.000 1.117 188 Y CA 0.646 58.755 58.100 0.015 0.000 1.184 188 Y CB -0.374 38.096 38.460 0.017 0.000 1.047 188 Y HN 0.221 nan 8.280 nan 0.000 0.546 189 N N 0.539 119.327 118.700 0.146 0.000 2.299 189 N HA -0.012 4.728 4.740 -0.000 0.000 0.187 189 N C -0.136 175.408 175.510 0.056 0.000 1.099 189 N CA 0.306 53.416 53.050 0.101 0.000 0.867 189 N CB 0.118 38.671 38.487 0.109 0.000 0.974 189 N HN 0.248 nan 8.380 nan 0.000 0.477 190 K N 0.937 121.349 120.400 0.021 0.000 3.071 190 K HA -0.178 4.142 4.320 -0.000 0.000 0.262 190 K C -0.265 176.357 176.600 0.038 0.000 0.977 190 K CA 0.572 56.864 56.287 0.008 0.000 0.721 190 K CB -1.854 30.651 32.500 0.009 0.000 1.293 190 K HN 0.475 nan 8.250 nan 0.000 0.475 191 I N -4.712 115.889 120.570 0.051 0.000 3.074 191 I HA 0.423 4.593 4.170 -0.000 0.000 0.310 191 I C 0.523 176.702 176.117 0.103 0.000 1.153 191 I CA -1.371 59.984 61.300 0.092 0.000 0.993 191 I CB 1.632 39.690 38.000 0.096 0.000 1.237 191 I HN -0.034 nan 8.210 nan 0.000 0.443 192 H N 3.977 123.080 119.070 0.055 0.000 2.771 192 H HA 0.197 4.753 4.556 -0.000 0.000 0.364 192 H C 0.790 176.095 175.328 -0.039 0.000 1.133 192 H CA 0.242 56.307 56.048 0.027 0.000 1.423 192 H CB 1.348 31.175 29.762 0.108 0.000 1.425 192 H HN 0.723 nan 8.280 nan 0.000 0.606 193 M N 2.909 122.438 119.600 -0.117 0.000 2.106 193 M HA -0.148 4.332 4.480 -0.000 0.000 0.259 193 M C 2.309 178.634 176.300 0.041 0.000 1.068 193 M CA 1.713 57.071 55.300 0.097 0.000 1.100 193 M CB -1.334 31.324 32.600 0.097 0.000 1.351 193 M HN 0.756 nan 8.290 nan 0.000 0.404 194 G N -0.235 108.473 108.800 -0.153 0.000 2.432 194 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 194 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 194 G C 1.670 176.201 174.900 -0.616 0.000 1.135 194 G CA 1.154 45.574 45.100 -1.133 0.000 0.767 194 G HN 0.491 nan 8.290 nan 0.000 0.550 195 S N -0.527 115.029 115.700 -0.240 0.000 2.428 195 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 195 S C 2.374 176.935 174.600 -0.065 0.000 1.014 195 S CA 0.843 59.020 58.200 -0.038 0.000 0.957 195 S CB -0.257 62.994 63.200 0.086 0.000 0.784 195 S HN 0.528 nan 8.310 nan 0.000 0.499 196 C N 1.883 121.156 119.300 -0.045 0.000 2.446 196 C HA 0.069 4.529 4.460 -0.000 0.000 0.277 196 C C 3.061 177.908 174.990 -0.237 0.000 1.275 196 C CA 0.412 59.409 59.018 -0.035 0.000 1.727 196 C CB -1.470 26.400 27.740 0.217 0.000 2.010 196 C HN 0.670 nan 8.230 nan 0.000 0.486 197 A N 0.800 123.384 122.820 -0.395 0.000 1.917 197 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 197 A C 2.069 179.466 177.584 -0.311 0.000 1.182 197 A CA 1.801 53.529 52.037 -0.516 0.000 0.633 197 A CB -0.505 17.984 19.000 -0.852 0.000 0.819 197 A HN 0.602 nan 8.150 nan 0.000 0.448 198 E N 0.083 120.149 120.200 -0.223 0.000 2.097 198 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 198 E C 1.920 178.460 176.600 -0.100 0.000 1.000 198 E CA 1.146 57.477 56.400 -0.115 0.000 0.804 198 E CB -0.622 29.049 29.700 -0.050 0.000 0.740 198 E HN 0.764 nan 8.360 nan 0.000 0.454 199 N N 0.312 118.948 118.700 -0.107 0.000 2.061 199 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 199 N C 1.617 177.064 175.510 -0.106 0.000 1.030 199 N CA 2.060 55.056 53.050 -0.089 0.000 0.856 199 N CB 0.022 38.461 38.487 -0.081 0.000 1.023 199 N HN 0.083 nan 8.380 nan 0.000 0.424 200 T N 0.653 115.112 114.554 -0.158 0.000 2.867 200 T HA 0.042 4.392 4.350 -0.000 0.000 0.268 200 T C 1.919 176.547 174.700 -0.120 0.000 1.057 200 T CA 1.002 63.010 62.100 -0.153 0.000 1.136 200 T CB -0.281 68.455 68.868 -0.220 0.000 0.874 200 T HN 0.429 nan 8.240 nan 0.000 0.466 201 A N 1.772 124.521 122.820 -0.118 0.000 1.902 201 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 201 A C 2.272 179.820 177.584 -0.060 0.000 1.181 201 A CA 1.428 53.415 52.037 -0.083 0.000 0.623 201 A CB -0.404 18.553 19.000 -0.072 0.000 0.818 201 A HN 0.367 nan 8.150 nan 0.000 0.443 202 K N -0.208 120.159 120.400 -0.056 0.000 1.978 202 K HA -0.180 4.140 4.320 -0.000 0.000 0.214 202 K C 2.129 178.704 176.600 -0.040 0.000 1.049 202 K CA 1.966 58.228 56.287 -0.041 0.000 0.939 202 K CB -0.279 32.199 32.500 -0.036 0.000 0.721 202 K HN 0.412 nan 8.250 nan 0.000 0.441 203 K N 0.510 120.881 120.400 -0.047 0.000 2.113 203 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 203 K C 1.828 178.403 176.600 -0.042 0.000 1.047 203 K CA 1.155 57.417 56.287 -0.042 0.000 0.928 203 K CB -0.033 32.440 32.500 -0.045 0.000 0.716 203 K HN 0.157 nan 8.250 nan 0.000 0.446 204 L N 0.119 121.310 121.223 -0.053 0.000 2.640 204 L HA 0.100 4.439 4.340 -0.000 0.000 0.230 204 L C -0.006 176.837 176.870 -0.046 0.000 1.123 204 L CA -0.323 54.485 54.840 -0.054 0.000 0.900 204 L CB -0.224 41.792 42.059 -0.071 0.000 1.146 204 L HN 0.264 nan 8.230 nan 0.000 0.484 205 N N 1.580 120.256 118.700 -0.039 0.000 2.727 205 N HA -0.227 4.513 4.740 -0.000 0.000 0.251 205 N C -0.581 174.911 175.510 -0.031 0.000 1.040 205 N CA 0.387 53.418 53.050 -0.031 0.000 0.712 205 N CB -1.114 37.358 38.487 -0.025 0.000 0.912 205 N HN 0.357 nan 8.380 nan 0.000 0.545 206 I N 0.517 121.065 120.570 -0.037 0.000 2.361 206 I HA 0.424 4.594 4.170 -0.000 0.000 0.282 206 I C 1.062 177.167 176.117 -0.019 0.000 1.075 206 I CA -0.617 60.663 61.300 -0.033 0.000 1.205 206 I CB 0.756 38.725 38.000 -0.052 0.000 1.406 206 I HN 0.352 nan 8.210 nan 0.000 0.481 207 A N 4.851 127.667 122.820 -0.008 0.000 2.346 207 A HA 0.255 4.575 4.320 -0.000 0.000 0.252 207 A C 1.537 179.130 177.584 0.015 0.000 1.089 207 A CA -0.278 51.760 52.037 0.002 0.000 0.797 207 A CB 0.433 19.434 19.000 0.003 0.000 1.047 207 A HN 0.827 nan 8.150 nan 0.000 0.494 208 R N 1.192 121.705 120.500 0.021 0.000 2.113 208 R HA -0.234 4.106 4.340 -0.000 0.000 0.244 208 R C 1.758 178.082 176.300 0.040 0.000 1.142 208 R CA 2.913 59.034 56.100 0.035 0.000 0.953 208 R CB -0.622 29.697 30.300 0.032 0.000 0.860 208 R HN 0.924 nan 8.270 nan 0.000 0.438 209 N N 0.569 119.286 118.700 0.029 0.000 2.120 209 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 209 N C 1.274 176.805 175.510 0.034 0.000 1.024 209 N CA 2.123 55.189 53.050 0.027 0.000 0.852 209 N CB -0.558 37.938 38.487 0.016 0.000 1.003 209 N HN 0.583 nan 8.380 nan 0.000 0.424 210 E N 0.680 120.901 120.200 0.035 0.000 2.077 210 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 210 E C 2.156 178.806 176.600 0.084 0.000 0.989 210 E CA 1.191 57.619 56.400 0.046 0.000 0.800 210 E CB -0.225 29.491 29.700 0.028 0.000 0.746 210 E HN 0.552 nan 8.360 nan 0.000 0.452 211 Q N 0.616 120.464 119.800 0.081 0.000 2.119 211 Q HA -0.166 4.173 4.340 -0.000 0.000 0.201 211 Q C 1.631 177.726 176.000 0.160 0.000 0.972 211 Q CA 1.184 57.061 55.803 0.123 0.000 0.847 211 Q CB 0.017 28.815 28.738 0.099 0.000 0.903 211 Q HN 0.245 nan 8.270 nan 0.000 0.433 212 D N 0.428 120.894 120.400 0.110 0.000 2.144 212 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 212 D C 1.778 178.115 176.300 0.062 0.000 0.978 212 D CA 1.172 55.229 54.000 0.094 0.000 0.833 212 D CB -0.141 40.694 40.800 0.059 0.000 0.961 212 D HN 0.234 nan 8.370 nan 0.000 0.470 213 A N 0.176 123.025 122.820 0.048 0.000 1.877 213 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 213 A C 2.212 179.812 177.584 0.026 0.000 1.186 213 A CA 1.354 53.397 52.037 0.010 0.000 0.620 213 A CB -1.140 17.871 19.000 0.018 0.000 0.822 213 A HN 0.344 nan 8.150 nan 0.000 0.443 214 Y N 0.617 120.926 120.300 0.014 0.000 2.128 214 Y HA -0.142 4.408 4.550 -0.000 0.000 0.284 214 Y C 2.690 178.624 175.900 0.057 0.000 1.154 214 Y CA 1.512 59.628 58.100 0.027 0.000 1.149 214 Y CB -0.531 37.947 38.460 0.029 0.000 0.976 214 Y HN 0.330 nan 8.280 nan 0.000 0.505 215 A N 0.516 123.451 122.820 0.192 0.000 1.873 215 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 215 A C 2.261 179.961 177.584 0.193 0.000 1.193 215 A CA 2.353 54.520 52.037 0.216 0.000 0.629 215 A CB -1.286 17.890 19.000 0.293 0.000 0.826 215 A HN 0.592 nan 8.150 nan 0.000 0.447 216 I N -0.082 120.508 120.570 0.032 0.000 2.226 216 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 216 I C 2.398 178.445 176.117 -0.116 0.000 1.100 216 I CA 1.736 62.924 61.300 -0.187 0.000 1.374 216 I CB -0.488 37.187 38.000 -0.542 0.000 1.057 216 I HN 0.592 nan 8.210 nan 0.000 0.413 217 N N 0.241 118.843 118.700 -0.164 0.000 2.104 217 N HA -0.256 4.484 4.740 -0.000 0.000 0.190 217 N C 1.957 177.366 175.510 -0.168 0.000 1.024 217 N CA 1.923 54.862 53.050 -0.185 0.000 0.853 217 N CB -0.157 38.165 38.487 -0.274 0.000 1.008 217 N HN 0.231 nan 8.380 nan 0.000 0.424 218 S N -1.232 114.310 115.700 -0.264 0.000 2.348 218 S HA -0.174 4.295 4.470 -0.000 0.000 0.221 218 S C 1.790 176.371 174.600 -0.032 0.000 1.033 218 S CA 1.132 59.213 58.200 -0.198 0.000 1.010 218 S CB -0.770 62.293 63.200 -0.228 0.000 0.891 218 S HN 0.509 nan 8.310 nan 0.000 0.442 219 Y N 2.018 122.387 120.300 0.115 0.000 2.165 219 Y HA -0.126 4.423 4.550 -0.000 0.000 0.286 219 Y C 3.018 179.084 175.900 0.277 0.000 1.155 219 Y CA 1.916 60.176 58.100 0.266 0.000 1.164 219 Y CB -1.159 37.575 38.460 0.457 0.000 0.978 219 Y HN 0.302 nan 8.280 nan 0.000 0.513 220 T N -0.192 114.594 114.554 0.386 0.000 2.674 220 T HA -0.196 4.153 4.350 -0.000 0.000 0.265 220 T C 1.938 176.733 174.700 0.157 0.000 1.039 220 T CA 1.697 63.961 62.100 0.273 0.000 1.150 220 T CB -0.264 68.694 68.868 0.150 0.000 0.864 220 T HN 0.286 nan 8.240 nan 0.000 0.427 221 R N 0.921 121.468 120.500 0.078 0.000 2.105 221 R HA -0.032 4.308 4.340 -0.000 0.000 0.239 221 R C 2.935 179.258 176.300 0.039 0.000 1.135 221 R CA 1.434 57.555 56.100 0.036 0.000 0.967 221 R CB -0.399 29.898 30.300 -0.006 0.000 0.861 221 R HN 0.241 nan 8.270 nan 0.000 0.442 222 S N 0.818 116.541 115.700 0.038 0.000 2.356 222 S HA -0.167 4.303 4.470 -0.000 0.000 0.223 222 S C 1.813 176.353 174.600 -0.100 0.000 1.032 222 S CA 1.294 59.488 58.200 -0.011 0.000 1.005 222 S CB -0.089 63.086 63.200 -0.042 0.000 0.867 222 S HN 0.312 nan 8.310 nan 0.000 0.449 223 K N 1.346 121.731 120.400 -0.025 0.000 2.026 223 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 223 K C 2.220 178.890 176.600 0.117 0.000 1.048 223 K CA 1.207 57.524 56.287 0.049 0.000 0.929 223 K CB -0.378 32.310 32.500 0.314 0.000 0.713 223 K HN 0.275 nan 8.250 nan 0.000 0.439 224 A N 1.108 123.990 122.820 0.103 0.000 1.877 224 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 224 A C 2.366 179.976 177.584 0.044 0.000 1.186 224 A CA 2.001 54.085 52.037 0.078 0.000 0.620 224 A CB -0.979 18.055 19.000 0.057 0.000 0.822 224 A HN 0.508 nan 8.150 nan 0.000 0.443 225 A N -1.527 121.296 122.820 0.005 0.000 1.883 225 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 225 A C 2.026 179.553 177.584 -0.094 0.000 1.186 225 A CA 1.446 53.402 52.037 -0.135 0.000 0.624 225 A CB -0.974 17.897 19.000 -0.215 0.000 0.822 225 A HN 0.751 nan 8.150 nan 0.000 0.444 226 W N -0.068 121.323 121.300 0.152 0.000 2.358 226 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 226 W C 2.412 178.992 176.519 0.101 0.000 1.208 226 W CA 1.456 58.911 57.345 0.183 0.000 1.274 226 W CB -0.094 29.348 29.460 -0.030 0.000 1.138 226 W HN 0.433 nan 8.180 nan 0.000 0.515 227 E N -0.468 119.910 120.200 0.296 0.000 2.150 227 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 227 E C 2.122 178.792 176.600 0.117 0.000 0.985 227 E CA 1.087 57.606 56.400 0.198 0.000 0.814 227 E CB -0.338 29.459 29.700 0.161 0.000 0.752 227 E HN 0.208 nan 8.360 nan 0.000 0.466 228 A N 0.249 123.104 122.820 0.059 0.000 2.235 228 A HA 0.175 4.495 4.320 -0.000 0.000 0.208 228 A C 1.680 179.246 177.584 -0.029 0.000 1.172 228 A CA 0.811 52.847 52.037 -0.002 0.000 0.786 228 A CB -0.434 18.538 19.000 -0.047 0.000 0.804 228 A HN 0.324 nan 8.150 nan 0.000 0.479 229 G N -0.289 108.511 108.800 0.000 0.000 2.176 229 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 229 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 229 G C 0.723 175.515 174.900 -0.179 0.000 1.024 229 G CA 0.550 45.640 45.100 -0.016 0.000 0.755 229 G HN 0.420 nan 8.290 nan 0.000 0.507 230 K N -0.817 119.347 120.400 -0.393 0.000 2.555 230 K HA 0.122 4.442 4.320 -0.000 0.000 0.193 230 K C 1.014 177.095 176.600 -0.865 0.000 1.032 230 K CA 0.715 56.621 56.287 -0.635 0.000 1.004 230 K CB -0.095 31.928 32.500 -0.795 0.000 0.804 230 K HN 0.552 nan 8.250 nan 0.000 0.496 231 F N -0.902 118.796 119.950 -0.420 0.000 2.683 231 F HA 0.236 4.762 4.527 -0.000 0.000 0.306 231 F C 1.922 177.547 175.800 -0.292 0.000 1.102 231 F CA -0.504 57.206 58.000 -0.483 0.000 1.244 231 F CB -0.048 38.338 39.000 -1.023 0.000 1.029 231 F HN -0.049 nan 8.300 nan 0.000 0.545 232 G N 0.791 109.538 108.800 -0.089 0.000 2.505 232 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 232 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 232 G C 1.503 176.378 174.900 -0.042 0.000 1.145 232 G CA 1.332 46.420 45.100 -0.020 0.000 0.761 232 G HN 0.261 nan 8.290 nan 0.000 0.571 233 N N -0.660 117.960 118.700 -0.134 0.000 2.325 233 N HA 0.110 4.850 4.740 -0.000 0.000 0.182 233 N C 1.717 177.049 175.510 -0.295 0.000 1.088 233 N CA 0.635 53.585 53.050 -0.166 0.000 0.879 233 N CB 0.428 38.828 38.487 -0.145 0.000 0.983 233 N HN 0.638 nan 8.380 nan 0.000 0.471 234 E N -0.084 119.908 120.200 -0.346 0.000 2.099 234 E HA 0.073 4.423 4.350 -0.000 0.000 0.191 234 E C -0.291 176.295 176.600 -0.024 0.000 0.962 234 E CA 0.360 56.589 56.400 -0.286 0.000 0.826 234 E CB 0.495 30.080 29.700 -0.191 0.000 0.788 234 E HN -0.138 nan 8.360 nan 0.000 0.461 235 V N 3.257 123.193 119.914 0.036 0.000 2.509 235 V HA 0.251 4.371 4.120 -0.000 0.000 0.284 235 V C 0.269 176.426 176.094 0.105 0.000 1.047 235 V CA -0.453 61.915 62.300 0.112 0.000 0.952 235 V CB 1.152 33.123 31.823 0.246 0.000 0.988 235 V HN 0.220 nan 8.190 nan 0.000 0.469 236 I N 3.652 124.277 120.570 0.093 0.000 2.474 236 I HA 0.650 4.820 4.170 -0.000 0.000 0.294 236 I C -2.493 173.670 176.117 0.076 0.000 1.005 236 I CA -2.503 58.843 61.300 0.077 0.000 1.113 236 I CB 2.031 40.064 38.000 0.056 0.000 1.289 236 I HN 0.371 nan 8.210 nan 0.000 0.436 237 P HA 0.107 nan 4.420 nan 0.000 0.272 237 P C -0.609 176.711 177.300 0.034 0.000 1.223 237 P CA -0.157 62.973 63.100 0.051 0.000 0.784 237 P CB 1.864 33.592 31.700 0.045 0.000 0.923 238 V N 0.755 120.681 119.914 0.021 0.000 2.555 238 V HA 0.549 4.669 4.120 -0.000 0.000 0.302 238 V C -0.581 175.515 176.094 0.005 0.000 1.038 238 V CA -0.339 61.969 62.300 0.014 0.000 0.887 238 V CB 1.840 33.670 31.823 0.013 0.000 0.991 238 V HN 0.487 nan 8.190 nan 0.000 0.434 239 T N 5.805 120.362 114.554 0.004 0.000 2.743 239 T HA 0.538 4.888 4.350 -0.000 0.000 0.292 239 T C -0.234 174.464 174.700 -0.003 0.000 0.972 239 T CA -0.235 61.864 62.100 -0.000 0.000 0.967 239 T CB 1.058 69.927 68.868 0.002 0.000 0.926 239 T HN 0.731 nan 8.240 nan 0.000 0.459 240 V N 4.510 124.419 119.914 -0.008 0.000 2.383 240 V HA 0.391 4.511 4.120 -0.000 0.000 0.275 240 V C 0.454 176.542 176.094 -0.011 0.000 1.036 240 V CA -0.585 61.708 62.300 -0.011 0.000 0.889 240 V CB 1.156 32.968 31.823 -0.017 0.000 0.985 240 V HN 0.921 nan 8.190 nan 0.000 0.459 241 T N 4.827 119.375 114.554 -0.009 0.000 2.786 241 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 241 T C -0.403 174.291 174.700 -0.010 0.000 0.992 241 T CA -0.363 61.732 62.100 -0.008 0.000 0.954 241 T CB 1.476 70.341 68.868 -0.005 0.000 0.934 241 T HN 0.355 nan 8.240 nan 0.000 0.440 242 V N 4.395 124.303 119.914 -0.011 0.000 2.444 242 V HA 0.348 4.468 4.120 -0.000 0.000 0.294 242 V C 0.254 176.342 176.094 -0.010 0.000 1.022 242 V CA -1.243 61.051 62.300 -0.011 0.000 0.850 242 V CB 1.635 33.449 31.823 -0.014 0.000 0.992 242 V HN 0.776 nan 8.190 nan 0.000 0.426 243 K N 3.192 123.587 120.400 -0.008 0.000 2.504 243 K HA 0.231 4.551 4.320 -0.000 0.000 0.278 243 K C 1.240 177.835 176.600 -0.008 0.000 1.025 243 K CA 1.125 57.407 56.287 -0.007 0.000 1.093 243 K CB 0.085 32.581 32.500 -0.006 0.000 0.873 243 K HN 1.220 nan 8.250 nan 0.000 0.483 244 G N 2.257 111.053 108.800 -0.007 0.000 2.176 244 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.252 244 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.252 244 G C -0.341 174.554 174.900 -0.009 0.000 1.024 244 G CA -0.034 45.062 45.100 -0.008 0.000 0.755 244 G HN 0.493 nan 8.290 nan 0.000 0.507 245 Q N -0.483 119.312 119.800 -0.010 0.000 2.421 245 Q HA 0.515 4.854 4.340 -0.000 0.000 0.280 245 Q C -2.367 173.627 176.000 -0.011 0.000 1.085 245 Q CA -1.611 54.185 55.803 -0.011 0.000 0.807 245 Q CB 2.258 30.988 28.738 -0.013 0.000 1.405 245 Q HN 0.268 nan 8.270 nan 0.000 0.419 246 P HA 0.110 nan 4.420 nan 0.000 0.269 246 P C -0.668 176.625 177.300 -0.012 0.000 1.215 246 P CA -0.173 62.920 63.100 -0.011 0.000 0.780 246 P CB 0.616 32.309 31.700 -0.012 0.000 0.898 247 D N 0.149 120.543 120.400 -0.010 0.000 2.362 247 D HA 0.223 4.863 4.640 -0.000 0.000 0.242 247 D C -0.254 176.038 176.300 -0.013 0.000 1.132 247 D CA 0.084 54.078 54.000 -0.010 0.000 0.907 247 D CB 0.513 41.309 40.800 -0.007 0.000 1.195 247 D HN -0.028 nan 8.370 nan 0.000 0.429 248 V N 1.938 121.843 119.914 -0.015 0.000 2.409 248 V HA 0.215 4.335 4.120 -0.000 0.000 0.291 248 V C -0.034 176.050 176.094 -0.017 0.000 1.020 248 V CA -0.874 61.415 62.300 -0.020 0.000 0.848 248 V CB 1.857 33.665 31.823 -0.025 0.000 0.990 248 V HN 0.234 nan 8.190 nan 0.000 0.430 249 V N 6.116 126.020 119.914 -0.016 0.000 2.353 249 V HA 0.228 4.347 4.120 -0.000 0.000 0.264 249 V C 0.158 176.239 176.094 -0.023 0.000 1.049 249 V CA -0.387 61.905 62.300 -0.012 0.000 0.896 249 V CB 1.482 33.302 31.823 -0.005 0.000 1.025 249 V HN 0.644 nan 8.190 nan 0.000 0.475 250 V N 6.989 126.889 119.914 -0.024 0.000 2.372 250 V HA 0.225 4.345 4.120 -0.000 0.000 0.261 250 V C 1.053 177.128 176.094 -0.032 0.000 1.055 250 V CA -0.263 62.013 62.300 -0.040 0.000 0.930 250 V CB 0.642 32.442 31.823 -0.038 0.000 1.031 250 V HN 1.024 nan 8.190 nan 0.000 0.479 251 K N 3.620 123.987 120.400 -0.054 0.000 2.402 251 K HA 0.322 4.642 4.320 -0.000 0.000 0.204 251 K C 0.272 176.811 176.600 -0.101 0.000 1.056 251 K CA -0.249 56.026 56.287 -0.021 0.000 1.069 251 K CB 0.856 33.362 32.500 0.011 0.000 0.888 251 K HN 0.772 nan 8.250 nan 0.000 0.546 252 E N 0.413 120.436 120.200 -0.295 0.000 2.429 252 E HA 0.241 4.591 4.350 -0.000 0.000 0.276 252 E C -1.515 174.771 176.600 -0.525 0.000 0.953 252 E CA -1.074 54.852 56.400 -0.791 0.000 0.787 252 E CB 0.813 29.709 29.700 -1.341 0.000 1.307 252 E HN -0.124 nan 8.360 nan 0.000 0.458 253 D N 1.393 121.462 120.400 -0.553 0.000 2.493 253 D HA -0.057 4.583 4.640 -0.000 0.000 0.240 253 D C 0.401 176.615 176.300 -0.143 0.000 1.142 253 D CA 0.534 54.448 54.000 -0.144 0.000 0.872 253 D CB 1.231 42.092 40.800 0.101 0.000 1.173 253 D HN 0.652 nan 8.370 nan 0.000 0.467 254 E N 1.695 121.838 120.200 -0.094 0.000 2.170 254 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 254 E C 1.220 177.748 176.600 -0.120 0.000 0.981 254 E CA 0.388 56.708 56.400 -0.133 0.000 0.830 254 E CB 0.301 29.951 29.700 -0.083 0.000 0.775 254 E HN 0.287 nan 8.360 nan 0.000 0.470 255 E N -0.069 120.128 120.200 -0.005 0.000 2.150 255 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 255 E C 1.804 178.474 176.600 0.118 0.000 0.985 255 E CA 1.403 57.838 56.400 0.058 0.000 0.814 255 E CB -0.402 29.356 29.700 0.096 0.000 0.752 255 E HN 0.568 nan 8.360 nan 0.000 0.466 256 Y N -0.377 119.967 120.300 0.075 0.000 2.497 256 Y HA 0.101 4.651 4.550 -0.000 0.000 0.292 256 Y C 1.358 177.391 175.900 0.222 0.000 1.137 256 Y CA 0.817 59.035 58.100 0.196 0.000 1.285 256 Y CB -0.126 38.407 38.460 0.122 0.000 0.991 256 Y HN -0.135 nan 8.280 nan 0.000 0.556 257 K N 0.699 120.768 120.400 -0.552 0.000 2.459 257 K HA 0.122 4.441 4.320 -0.000 0.000 0.193 257 K C 0.326 176.792 176.600 -0.223 0.000 1.030 257 K CA 0.189 56.203 56.287 -0.456 0.000 1.026 257 K CB 0.087 32.248 32.500 -0.565 0.000 0.809 257 K HN 0.266 nan 8.250 nan 0.000 0.504 258 R N 1.283 121.722 120.500 -0.102 0.000 4.017 258 R HA 0.201 4.541 4.340 -0.000 0.000 0.272 258 R C -0.974 175.267 176.300 -0.098 0.000 1.516 258 R CA -0.177 55.880 56.100 -0.072 0.000 1.519 258 R CB 0.833 31.126 30.300 -0.011 0.000 1.422 258 R HN -0.111 nan 8.270 nan 0.000 0.719 259 V N 0.249 120.005 119.914 -0.262 0.000 3.007 259 V HA 0.366 4.486 4.120 -0.000 0.000 0.311 259 V C -1.553 174.322 176.094 -0.365 0.000 1.120 259 V CA -0.797 61.245 62.300 -0.431 0.000 0.980 259 V CB 2.558 33.765 31.823 -1.027 0.000 1.033 259 V HN 0.287 nan 8.190 nan 0.000 0.429 260 D N 4.325 124.580 120.400 -0.242 0.000 2.454 260 D HA 0.294 4.933 4.640 -0.000 0.000 0.247 260 D C 0.541 176.827 176.300 -0.023 0.000 1.129 260 D CA -0.366 53.533 54.000 -0.170 0.000 0.877 260 D CB 1.087 41.833 40.800 -0.089 0.000 1.082 260 D HN 0.341 nan 8.370 nan 0.000 0.537 261 F N 1.693 121.579 119.950 -0.107 0.000 2.202 261 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 261 F C 2.660 178.434 175.800 -0.044 0.000 1.082 261 F CA 1.181 59.135 58.000 -0.077 0.000 1.313 261 F CB -1.065 37.905 39.000 -0.050 0.000 1.024 261 F HN 0.411 nan 8.300 nan 0.000 0.495 262 S N -0.395 115.391 115.700 0.143 0.000 2.423 262 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 262 S C 1.777 176.407 174.600 0.050 0.000 1.014 262 S CA 0.811 59.056 58.200 0.076 0.000 0.965 262 S CB -0.449 62.778 63.200 0.045 0.000 0.785 262 S HN 0.406 nan 8.310 nan 0.000 0.495 263 K N 0.713 121.138 120.400 0.042 0.000 2.365 263 K HA 0.203 4.523 4.320 -0.000 0.000 0.197 263 K C 1.873 178.495 176.600 0.036 0.000 1.042 263 K CA 0.557 56.860 56.287 0.026 0.000 0.987 263 K CB -0.237 32.267 32.500 0.007 0.000 0.779 263 K HN 0.209 nan 8.250 nan 0.000 0.484 264 V N 2.552 122.500 119.914 0.057 0.000 2.252 264 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 264 V C -0.912 175.211 176.094 0.048 0.000 1.056 264 V CA 1.976 64.314 62.300 0.062 0.000 1.022 264 V CB -1.041 30.831 31.823 0.081 0.000 0.641 264 V HN 0.283 nan 8.190 nan 0.000 0.445 265 P HA -0.058 nan 4.420 nan 0.000 0.241 265 P C 0.995 178.310 177.300 0.025 0.000 1.191 265 P CA 1.098 64.215 63.100 0.029 0.000 0.771 265 P CB -0.007 31.705 31.700 0.020 0.000 0.929 266 K N -1.188 119.226 120.400 0.024 0.000 2.354 266 K HA 0.133 4.453 4.320 -0.000 0.000 0.194 266 K C 0.572 177.180 176.600 0.014 0.000 1.038 266 K CA -0.435 55.862 56.287 0.016 0.000 1.052 266 K CB 0.040 32.549 32.500 0.014 0.000 0.861 266 K HN 0.065 nan 8.250 nan 0.000 0.535 267 L N 2.164 123.399 121.223 0.019 0.000 2.483 267 L HA -0.023 4.317 4.340 -0.000 0.000 0.276 267 L C 0.334 177.209 176.870 0.008 0.000 1.213 267 L CA 0.752 55.600 54.840 0.015 0.000 0.843 267 L CB 0.279 42.354 42.059 0.027 0.000 1.107 267 L HN -0.089 nan 8.230 nan 0.000 0.487 268 K N 0.872 121.268 120.400 -0.007 0.000 2.144 268 K HA 0.299 4.619 4.320 -0.000 0.000 0.270 268 K C -0.110 176.474 176.600 -0.027 0.000 1.005 268 K CA -0.413 55.864 56.287 -0.016 0.000 0.932 268 K CB 0.724 33.208 32.500 -0.026 0.000 1.021 268 K HN 0.692 nan 8.250 nan 0.000 0.462 269 T N -1.267 113.275 114.554 -0.019 0.000 2.775 269 T HA 0.131 4.481 4.350 -0.000 0.000 0.287 269 T C 1.451 176.104 174.700 -0.078 0.000 0.909 269 T CA -0.742 61.349 62.100 -0.015 0.000 1.081 269 T CB -0.178 68.702 68.868 0.019 0.000 0.891 269 T HN 0.318 nan 8.240 nan 0.000 0.544 270 V N 0.486 120.278 119.914 -0.203 0.000 2.548 270 V HA 0.064 4.184 4.120 -0.000 0.000 0.249 270 V C 1.727 177.555 176.094 -0.442 0.000 1.055 270 V CA 0.873 62.931 62.300 -0.402 0.000 1.065 270 V CB -1.254 30.184 31.823 -0.641 0.000 0.681 270 V HN 0.746 nan 8.190 nan 0.000 0.462 271 F N 0.812 120.737 119.950 -0.043 0.000 2.754 271 F HA 0.405 4.932 4.527 -0.000 0.000 0.297 271 F C 1.292 177.077 175.800 -0.025 0.000 1.122 271 F CA 0.369 58.337 58.000 -0.053 0.000 1.400 271 F CB 0.094 39.051 39.000 -0.072 0.000 1.117 271 F HN 0.293 nan 8.300 nan 0.000 0.587 272 Q N 0.093 119.955 119.800 0.103 0.000 2.444 272 Q HA 0.182 4.522 4.340 -0.000 0.000 0.239 272 Q C 0.082 176.097 176.000 0.026 0.000 0.853 272 Q CA -0.268 55.572 55.803 0.062 0.000 0.856 272 Q CB 1.221 29.998 28.738 0.065 0.000 1.413 272 Q HN 0.125 nan 8.270 nan 0.000 0.437 273 K N 1.111 121.517 120.400 0.010 0.000 2.062 273 K HA 0.020 4.339 4.320 -0.000 0.000 0.205 273 K C 0.189 176.792 176.600 0.006 0.000 1.051 273 K CA 0.710 56.998 56.287 0.000 0.000 0.941 273 K CB 0.333 32.830 32.500 -0.005 0.000 0.719 273 K HN 0.428 nan 8.250 nan 0.000 0.440 274 E N 1.836 122.042 120.200 0.010 0.000 2.105 274 E HA 0.050 4.400 4.350 -0.000 0.000 0.285 274 E C -0.889 175.717 176.600 0.010 0.000 1.055 274 E CA -0.011 56.394 56.400 0.009 0.000 0.843 274 E CB 0.379 30.084 29.700 0.009 0.000 1.067 274 E HN 0.235 nan 8.360 nan 0.000 0.398 275 N N 1.889 120.594 118.700 0.008 0.000 2.738 275 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 275 N C 0.039 175.556 175.510 0.011 0.000 1.047 275 N CA 0.293 53.347 53.050 0.007 0.000 0.707 275 N CB -0.451 38.038 38.487 0.004 0.000 0.937 275 N HN 0.515 nan 8.380 nan 0.000 0.545 276 G N -0.963 107.847 108.800 0.017 0.000 2.504 276 G HA2 0.478 4.438 3.960 -0.000 0.000 0.288 276 G HA3 0.478 4.438 3.960 -0.000 0.000 0.288 276 G C 0.927 175.845 174.900 0.030 0.000 1.182 276 G CA 0.353 45.469 45.100 0.027 0.000 0.894 276 G HN 0.258 nan 8.290 nan 0.000 0.521 277 T N -3.222 111.357 114.554 0.041 0.000 3.010 277 T HA 0.160 4.510 4.350 -0.000 0.000 0.253 277 T C 0.466 175.215 174.700 0.081 0.000 0.939 277 T CA 0.045 62.172 62.100 0.045 0.000 0.910 277 T CB 0.085 68.967 68.868 0.023 0.000 1.226 277 T HN 0.289 nan 8.240 nan 0.000 0.508 278 V N 4.058 124.040 119.914 0.113 0.000 2.461 278 V HA 0.618 4.737 4.120 -0.000 0.000 0.275 278 V C 0.675 176.911 176.094 0.238 0.000 1.047 278 V CA -0.149 62.273 62.300 0.205 0.000 0.955 278 V CB 0.825 32.775 31.823 0.212 0.000 0.988 278 V HN 0.778 nan 8.190 nan 0.000 0.471 279 T N 1.675 116.366 114.554 0.230 0.000 2.910 279 T HA 0.674 5.023 4.350 -0.000 0.000 0.287 279 T C 1.109 175.927 174.700 0.197 0.000 1.050 279 T CA -0.061 62.127 62.100 0.147 0.000 1.011 279 T CB 1.979 70.909 68.868 0.104 0.000 1.195 279 T HN 0.639 nan 8.240 nan 0.000 0.540 280 A N 0.366 123.245 122.820 0.099 0.000 2.024 280 A HA 0.222 4.541 4.320 -0.000 0.000 0.220 280 A C 2.423 180.109 177.584 0.170 0.000 1.164 280 A CA 1.969 54.078 52.037 0.119 0.000 0.643 280 A CB -1.413 17.612 19.000 0.041 0.000 0.806 280 A HN 1.253 nan 8.150 nan 0.000 0.451 281 A N 0.838 123.758 122.820 0.168 0.000 1.935 281 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 281 A C 1.688 179.446 177.584 0.290 0.000 1.178 281 A CA 1.470 53.635 52.037 0.212 0.000 0.640 281 A CB -0.445 18.644 19.000 0.148 0.000 0.825 281 A HN 0.719 nan 8.150 nan 0.000 0.447 282 N N -0.045 118.811 118.700 0.259 0.000 2.336 282 N HA 0.332 5.072 4.740 -0.000 0.000 0.189 282 N C 0.339 176.033 175.510 0.306 0.000 1.113 282 N CA 0.665 53.883 53.050 0.280 0.000 0.858 282 N CB -0.170 38.460 38.487 0.237 0.000 0.970 282 N HN 0.358 nan 8.380 nan 0.000 0.471 283 A N 0.226 123.241 122.820 0.324 0.000 2.252 283 A HA 0.663 4.983 4.320 -0.000 0.000 0.305 283 A C 0.464 178.106 177.584 0.097 0.000 1.097 283 A CA -0.369 51.843 52.037 0.291 0.000 0.849 283 A CB 0.379 19.674 19.000 0.493 0.000 1.142 283 A HN 0.432 nan 8.150 nan 0.000 0.499 284 S N -0.289 115.339 115.700 -0.120 0.000 2.645 284 S HA 0.609 5.079 4.470 -0.000 0.000 0.266 284 S C 0.393 175.007 174.600 0.023 0.000 1.258 284 S CA 0.237 58.406 58.200 -0.052 0.000 0.990 284 S CB 0.685 63.819 63.200 -0.110 0.000 0.967 284 S HN 1.333 nan 8.310 nan 0.000 0.556 285 T N -1.358 113.231 114.554 0.057 0.000 2.905 285 T HA 0.645 4.995 4.350 -0.000 0.000 0.283 285 T C -0.567 174.142 174.700 0.015 0.000 1.031 285 T CA -1.012 61.121 62.100 0.055 0.000 1.002 285 T CB 0.277 69.196 68.868 0.085 0.000 1.200 285 T HN 0.345 nan 8.240 nan 0.000 0.560 286 L N 2.258 123.454 121.223 -0.045 0.000 2.305 286 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 286 L C -0.144 176.756 176.870 0.052 0.000 1.085 286 L CA 0.068 54.845 54.840 -0.106 0.000 0.813 286 L CB 0.159 41.951 42.059 -0.446 0.000 1.157 286 L HN 0.793 nan 8.230 nan 0.000 0.436 287 N N 0.942 119.679 118.700 0.061 0.000 2.825 287 N HA 0.538 5.278 4.740 -0.000 0.000 0.253 287 N C -1.830 173.727 175.510 0.078 0.000 1.426 287 N CA -0.837 52.271 53.050 0.097 0.000 0.851 287 N CB 1.651 40.182 38.487 0.074 0.000 1.470 287 N HN 0.364 nan 8.380 nan 0.000 0.517 288 D N -0.245 120.196 120.400 0.068 0.000 2.375 288 D HA 0.736 5.376 4.640 -0.000 0.000 0.247 288 D C -0.214 176.107 176.300 0.034 0.000 1.061 288 D CA -0.242 53.784 54.000 0.044 0.000 0.834 288 D CB 1.763 42.584 40.800 0.035 0.000 1.247 288 D HN 0.659 nan 8.370 nan 0.000 0.489 289 G N -0.542 108.276 108.800 0.029 0.000 2.338 289 G HA2 0.632 4.592 3.960 -0.000 0.000 0.295 289 G HA3 0.632 4.592 3.960 -0.000 0.000 0.295 289 G C -1.964 172.955 174.900 0.031 0.000 1.461 289 G CA -0.434 44.685 45.100 0.032 0.000 0.817 289 G HN 0.586 nan 8.290 nan 0.000 0.556 290 A N -1.016 121.825 122.820 0.035 0.000 2.515 290 A HA 1.078 5.398 4.320 -0.000 0.000 0.298 290 A C -0.267 177.345 177.584 0.046 0.000 1.059 290 A CA 0.175 52.234 52.037 0.036 0.000 0.698 290 A CB 1.641 20.659 19.000 0.031 0.000 1.289 290 A HN 2.503 nan 8.150 nan 0.000 0.404 291 A N 0.262 123.111 122.820 0.048 0.000 2.435 291 A HA 0.995 5.315 4.320 -0.000 0.000 0.304 291 A C -0.362 177.252 177.584 0.051 0.000 1.064 291 A CA -0.025 52.046 52.037 0.057 0.000 0.727 291 A CB 1.555 20.595 19.000 0.067 0.000 1.284 291 A HN 2.586 nan 8.150 nan 0.000 0.415 292 A N 0.948 123.801 122.820 0.054 0.000 2.520 292 A HA 0.751 5.070 4.320 -0.000 0.000 0.298 292 A C -1.797 175.813 177.584 0.044 0.000 1.051 292 A CA -0.336 51.727 52.037 0.043 0.000 0.690 292 A CB 1.074 20.096 19.000 0.036 0.000 1.281 292 A HN 0.887 nan 8.150 nan 0.000 0.402 293 L N 1.363 122.602 121.223 0.027 0.000 2.365 293 L HA 0.575 4.915 4.340 -0.000 0.000 0.273 293 L C -0.345 176.525 176.870 -0.000 0.000 1.000 293 L CA -0.529 54.321 54.840 0.016 0.000 0.819 293 L CB 2.129 44.191 42.059 0.006 0.000 1.284 293 L HN 0.460 nan 8.230 nan 0.000 0.418 294 V N 4.442 124.354 119.914 -0.003 0.000 2.406 294 V HA 0.372 4.492 4.120 -0.000 0.000 0.272 294 V C -0.287 175.793 176.094 -0.023 0.000 1.043 294 V CA -0.403 61.889 62.300 -0.014 0.000 0.915 294 V CB 1.156 32.974 31.823 -0.008 0.000 0.988 294 V HN 0.351 nan 8.190 nan 0.000 0.466 295 L N 6.891 128.094 121.223 -0.033 0.000 2.334 295 L HA 0.791 5.131 4.340 -0.000 0.000 0.276 295 L C -0.136 176.714 176.870 -0.034 0.000 1.014 295 L CA -0.210 54.609 54.840 -0.035 0.000 0.815 295 L CB 1.672 43.704 42.059 -0.045 0.000 1.268 295 L HN 0.808 nan 8.230 nan 0.000 0.428 296 M N -0.402 119.183 119.600 -0.026 0.000 2.721 296 M HA 0.612 5.092 4.480 -0.000 0.000 0.271 296 M C -0.370 175.921 176.300 -0.015 0.000 1.259 296 M CA -0.821 54.465 55.300 -0.023 0.000 0.835 296 M CB 1.934 34.522 32.600 -0.020 0.000 1.689 296 M HN 0.481 nan 8.290 nan 0.000 0.470 297 T N -0.535 114.011 114.554 -0.013 0.000 2.856 297 T HA 0.479 4.829 4.350 -0.000 0.000 0.306 297 T C 1.190 175.884 174.700 -0.009 0.000 1.062 297 T CA -0.011 62.084 62.100 -0.008 0.000 1.083 297 T CB 1.002 69.865 68.868 -0.007 0.000 0.984 297 T HN 0.851 nan 8.240 nan 0.000 0.542 298 A N 1.670 124.485 122.820 -0.008 0.000 1.908 298 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 298 A C 2.068 179.646 177.584 -0.010 0.000 1.181 298 A CA 1.807 53.838 52.037 -0.010 0.000 0.627 298 A CB -0.982 18.012 19.000 -0.010 0.000 0.818 298 A HN 0.925 nan 8.150 nan 0.000 0.445 299 D N 0.122 120.517 120.400 -0.008 0.000 2.092 299 D HA -0.128 4.511 4.640 -0.000 0.000 0.193 299 D C 2.277 178.573 176.300 -0.007 0.000 0.994 299 D CA 1.785 55.781 54.000 -0.007 0.000 0.828 299 D CB -0.588 40.210 40.800 -0.005 0.000 0.963 299 D HN 0.431 nan 8.370 nan 0.000 0.450 300 A N 1.016 123.832 122.820 -0.008 0.000 1.940 300 A HA -0.098 4.221 4.320 -0.000 0.000 0.219 300 A C 2.323 179.901 177.584 -0.009 0.000 1.176 300 A CA 2.454 54.486 52.037 -0.008 0.000 0.631 300 A CB -0.737 18.257 19.000 -0.010 0.000 0.814 300 A HN 0.254 nan 8.150 nan 0.000 0.446 301 A N -0.222 122.592 122.820 -0.011 0.000 1.877 301 A HA -0.184 4.135 4.320 -0.000 0.000 0.216 301 A C 2.119 179.696 177.584 -0.011 0.000 1.186 301 A CA 1.982 54.012 52.037 -0.012 0.000 0.620 301 A CB -0.435 18.556 19.000 -0.015 0.000 0.822 301 A HN 0.548 nan 8.150 nan 0.000 0.443 302 K N -0.830 119.563 120.400 -0.010 0.000 2.026 302 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 302 K C 2.374 178.969 176.600 -0.007 0.000 1.048 302 K CA 1.513 57.794 56.287 -0.009 0.000 0.929 302 K CB -0.218 32.277 32.500 -0.009 0.000 0.713 302 K HN 0.481 nan 8.250 nan 0.000 0.439 303 R N 1.125 121.622 120.500 -0.006 0.000 2.103 303 R HA -0.143 4.197 4.340 -0.000 0.000 0.242 303 R C 1.726 178.023 176.300 -0.005 0.000 1.142 303 R CA 1.494 57.591 56.100 -0.005 0.000 0.960 303 R CB -0.237 30.061 30.300 -0.004 0.000 0.858 303 R HN 0.155 nan 8.270 nan 0.000 0.439 304 L N 0.644 121.863 121.223 -0.006 0.000 2.591 304 L HA 0.071 4.411 4.340 -0.000 0.000 0.228 304 L C 0.257 177.123 176.870 -0.006 0.000 1.133 304 L CA 0.034 54.870 54.840 -0.006 0.000 0.880 304 L CB -0.288 41.767 42.059 -0.006 0.000 1.033 304 L HN 0.347 nan 8.230 nan 0.000 0.450 305 N N 0.331 119.027 118.700 -0.006 0.000 2.725 305 N HA -0.169 4.571 4.740 -0.000 0.000 0.251 305 N C -0.602 174.904 175.510 -0.007 0.000 1.031 305 N CA 0.802 53.848 53.050 -0.007 0.000 0.720 305 N CB -0.591 37.893 38.487 -0.005 0.000 0.930 305 N HN 0.247 nan 8.380 nan 0.000 0.543 306 V N -2.628 117.281 119.914 -0.009 0.000 2.715 306 V HA 0.829 4.948 4.120 -0.000 0.000 0.310 306 V C 0.612 176.698 176.094 -0.013 0.000 1.054 306 V CA -0.287 62.007 62.300 -0.009 0.000 0.928 306 V CB 1.970 33.788 31.823 -0.008 0.000 1.007 306 V HN 0.266 nan 8.190 nan 0.000 0.437 307 T N 1.905 116.451 114.554 -0.014 0.000 2.733 307 T HA 0.609 4.959 4.350 -0.000 0.000 0.294 307 T C -2.148 172.536 174.700 -0.026 0.000 0.956 307 T CA -1.504 60.584 62.100 -0.020 0.000 0.987 307 T CB 0.883 69.740 68.868 -0.020 0.000 0.920 307 T HN 0.808 nan 8.240 nan 0.000 0.470 308 P HA 0.213 nan 4.420 nan 0.000 0.272 308 P C 0.213 177.481 177.300 -0.054 0.000 1.223 308 P CA -0.662 62.414 63.100 -0.040 0.000 0.784 308 P CB 0.888 32.566 31.700 -0.036 0.000 0.923 309 L N 0.865 122.045 121.223 -0.072 0.000 2.221 309 L HA 0.336 4.675 4.340 -0.000 0.000 0.202 309 L C 1.192 178.002 176.870 -0.100 0.000 1.074 309 L CA 1.211 55.991 54.840 -0.099 0.000 0.795 309 L CB -1.169 40.798 42.059 -0.153 0.000 0.960 309 L HN 0.566 nan 8.230 nan 0.000 0.458 310 A N -1.139 121.629 122.820 -0.088 0.000 2.612 310 A HA 0.646 4.966 4.320 -0.000 0.000 0.293 310 A C -0.765 176.789 177.584 -0.050 0.000 1.075 310 A CA -0.632 51.357 52.037 -0.079 0.000 0.680 310 A CB 1.223 20.170 19.000 -0.089 0.000 1.279 310 A HN 0.015 nan 8.150 nan 0.000 0.411 311 R N 1.156 121.633 120.500 -0.039 0.000 2.407 311 R HA 0.666 5.005 4.340 -0.000 0.000 0.303 311 R C -1.267 175.045 176.300 0.020 0.000 0.981 311 R CA -0.554 55.539 56.100 -0.011 0.000 0.905 311 R CB 0.654 30.946 30.300 -0.014 0.000 1.099 311 R HN 0.650 nan 8.270 nan 0.000 0.459 312 I N 5.505 126.103 120.570 0.047 0.000 2.337 312 I HA 0.048 4.218 4.170 -0.000 0.000 0.291 312 I C 0.828 177.005 176.117 0.101 0.000 1.046 312 I CA -0.323 61.036 61.300 0.099 0.000 1.324 312 I CB 1.667 39.752 38.000 0.143 0.000 1.409 312 I HN 0.579 nan 8.210 nan 0.000 0.494 313 V N 6.023 125.991 119.914 0.090 0.000 2.436 313 V HA 0.334 4.454 4.120 -0.000 0.000 0.240 313 V C 0.741 176.803 176.094 -0.052 0.000 1.040 313 V CA 0.942 63.265 62.300 0.039 0.000 1.052 313 V CB 0.040 31.908 31.823 0.075 0.000 0.707 313 V HN 0.838 nan 8.190 nan 0.000 0.469 314 A N -0.095 122.687 122.820 -0.063 0.000 2.601 314 A HA 0.791 5.111 4.320 -0.000 0.000 0.291 314 A C -1.655 175.859 177.584 -0.116 0.000 1.075 314 A CA -0.455 51.413 52.037 -0.281 0.000 0.671 314 A CB 1.451 20.316 19.000 -0.225 0.000 1.277 314 A HN 0.490 nan 8.150 nan 0.000 0.417 315 F N -2.425 117.527 119.950 0.005 0.000 2.713 315 F HA 0.947 5.474 4.527 -0.000 0.000 0.311 315 F C -0.327 175.485 175.800 0.020 0.000 1.141 315 F CA -0.695 57.313 58.000 0.014 0.000 0.939 315 F CB 1.249 40.261 39.000 0.021 0.000 1.325 315 F HN 1.576 nan 8.300 nan 0.000 0.453 316 A N 0.453 123.439 122.820 0.277 0.000 2.612 316 A HA 0.672 4.992 4.320 -0.000 0.000 0.293 316 A C -2.245 175.437 177.584 0.163 0.000 1.075 316 A CA -0.783 51.359 52.037 0.174 0.000 0.680 316 A CB 1.701 20.756 19.000 0.091 0.000 1.279 316 A HN 0.762 nan 8.150 nan 0.000 0.411 317 D N 0.306 120.784 120.400 0.130 0.000 2.350 317 D HA 0.682 5.322 4.640 -0.000 0.000 0.245 317 D C -0.314 176.042 176.300 0.094 0.000 1.036 317 D CA 0.105 54.169 54.000 0.107 0.000 0.848 317 D CB 2.245 43.099 40.800 0.091 0.000 1.307 317 D HN 0.890 nan 8.370 nan 0.000 0.469 318 A N 0.515 123.396 122.820 0.102 0.000 2.469 318 A HA 0.872 5.192 4.320 -0.000 0.000 0.299 318 A C -1.405 176.236 177.584 0.095 0.000 1.098 318 A CA -0.597 51.501 52.037 0.101 0.000 0.737 318 A CB 2.065 21.160 19.000 0.158 0.000 1.312 318 A HN 0.591 nan 8.150 nan 0.000 0.414 319 A N 0.128 122.986 122.820 0.064 0.000 2.515 319 A HA 0.854 5.174 4.320 -0.000 0.000 0.298 319 A C -0.333 177.268 177.584 0.028 0.000 1.059 319 A CA 0.039 52.110 52.037 0.057 0.000 0.698 319 A CB 1.175 20.195 19.000 0.032 0.000 1.289 319 A HN 2.330 nan 8.150 nan 0.000 0.404 320 V N -1.838 118.105 119.914 0.049 0.000 3.105 320 V HA 0.686 4.806 4.120 -0.000 0.000 0.311 320 V C -0.282 175.820 176.094 0.013 0.000 1.282 320 V CA -1.093 61.221 62.300 0.022 0.000 1.065 320 V CB 0.944 32.816 31.823 0.081 0.000 1.136 320 V HN 0.781 nan 8.190 nan 0.000 0.469 321 E N 1.656 121.856 120.200 0.001 0.000 2.465 321 E HA 0.113 4.463 4.350 -0.000 0.000 0.260 321 E C -1.809 174.812 176.600 0.035 0.000 0.980 321 E CA -1.142 55.251 56.400 -0.011 0.000 0.927 321 E CB 1.079 30.773 29.700 -0.010 0.000 0.934 321 E HN 0.486 nan 8.360 nan 0.000 0.459 322 P HA -0.205 nan 4.420 nan 0.000 0.218 322 P C 1.515 178.947 177.300 0.219 0.000 1.154 322 P CA 1.113 64.290 63.100 0.128 0.000 0.872 322 P CB 0.088 31.873 31.700 0.142 0.000 0.790 323 I N -0.957 119.700 120.570 0.146 0.000 2.567 323 I HA -0.174 3.996 4.170 -0.000 0.000 0.257 323 I C 0.649 176.779 176.117 0.023 0.000 1.184 323 I CA 1.564 62.937 61.300 0.122 0.000 1.451 323 I CB -0.080 37.955 38.000 0.058 0.000 1.089 323 I HN -0.153 nan 8.210 nan 0.000 0.441 324 D N 0.294 120.705 120.400 0.020 0.000 2.342 324 D HA -0.023 4.617 4.640 -0.000 0.000 0.221 324 D C 1.734 177.996 176.300 -0.063 0.000 1.101 324 D CA 0.084 54.046 54.000 -0.064 0.000 0.837 324 D CB -0.094 40.703 40.800 -0.005 0.000 0.938 324 D HN 0.449 nan 8.370 nan 0.000 0.508 325 F N 1.289 121.261 119.950 0.036 0.000 2.141 325 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 325 F C -1.097 174.732 175.800 0.048 0.000 1.079 325 F CA 0.807 58.838 58.000 0.051 0.000 1.264 325 F CB -2.130 36.907 39.000 0.061 0.000 1.011 325 F HN -0.018 nan 8.300 nan 0.000 0.487 326 P HA -0.159 nan 4.420 nan 0.000 0.221 326 P C 1.726 178.951 177.300 -0.125 0.000 1.145 326 P CA 2.181 65.078 63.100 -0.337 0.000 0.795 326 P CB -0.382 31.022 31.700 -0.492 0.000 0.775 327 I N -5.757 114.753 120.570 -0.101 0.000 3.783 327 I HA 0.271 4.441 4.170 -0.000 0.000 0.310 327 I C 1.877 177.982 176.117 -0.020 0.000 1.274 327 I CA 0.321 61.570 61.300 -0.084 0.000 1.294 327 I CB -0.602 37.355 38.000 -0.072 0.000 1.051 327 I HN -0.247 nan 8.210 nan 0.000 0.435 328 A N 2.648 125.533 122.820 0.108 0.000 1.948 328 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 328 A C 0.143 177.805 177.584 0.130 0.000 1.177 328 A CA 1.802 53.957 52.037 0.197 0.000 0.636 328 A CB -1.971 17.147 19.000 0.197 0.000 0.815 328 A HN 0.413 nan 8.150 nan 0.000 0.449 329 P HA -0.076 nan 4.420 nan 0.000 0.222 329 P C 1.492 178.798 177.300 0.009 0.000 1.147 329 P CA 0.956 64.096 63.100 0.066 0.000 0.790 329 P CB -0.124 31.616 31.700 0.067 0.000 0.780 330 V N -1.430 118.406 119.914 -0.130 0.000 2.261 330 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 330 V C 2.116 178.085 176.094 -0.209 0.000 1.047 330 V CA 1.893 64.039 62.300 -0.257 0.000 1.015 330 V CB -1.505 30.003 31.823 -0.524 0.000 0.642 330 V HN 0.033 nan 8.190 nan 0.000 0.446 331 Y N 0.845 121.168 120.300 0.038 0.000 2.181 331 Y HA -0.094 4.456 4.550 -0.000 0.000 0.288 331 Y C 2.575 178.505 175.900 0.050 0.000 1.146 331 Y CA 1.049 59.171 58.100 0.036 0.000 1.164 331 Y CB -1.315 37.161 38.460 0.026 0.000 0.982 331 Y HN 0.173 nan 8.280 nan 0.000 0.515 332 A N 0.212 123.149 122.820 0.195 0.000 1.908 332 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 332 A C 2.476 180.135 177.584 0.124 0.000 1.181 332 A CA 1.986 54.111 52.037 0.146 0.000 0.627 332 A CB -1.232 17.850 19.000 0.136 0.000 0.818 332 A HN 0.409 nan 8.150 nan 0.000 0.445 333 A N -0.714 122.183 122.820 0.128 0.000 1.930 333 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 333 A C 2.427 180.085 177.584 0.124 0.000 1.175 333 A CA 1.970 54.098 52.037 0.152 0.000 0.627 333 A CB -0.768 18.393 19.000 0.267 0.000 0.815 333 A HN 0.449 nan 8.150 nan 0.000 0.443 334 S N -0.457 115.309 115.700 0.111 0.000 2.383 334 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 334 S C 2.003 176.647 174.600 0.073 0.000 1.026 334 S CA 1.652 59.909 58.200 0.094 0.000 0.981 334 S CB -0.381 62.880 63.200 0.102 0.000 0.818 334 S HN 0.571 nan 8.310 nan 0.000 0.472 335 M N 0.663 120.313 119.600 0.082 0.000 2.086 335 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 335 M C 2.142 178.453 176.300 0.018 0.000 1.067 335 M CA 1.270 56.602 55.300 0.053 0.000 1.116 335 M CB -0.618 32.021 32.600 0.065 0.000 1.348 335 M HN 0.157 nan 8.290 nan 0.000 0.407 336 V N 0.774 120.700 119.914 0.021 0.000 2.295 336 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 336 V C 2.296 178.359 176.094 -0.052 0.000 1.049 336 V CA 1.726 64.014 62.300 -0.020 0.000 1.024 336 V CB -0.698 31.122 31.823 -0.005 0.000 0.648 336 V HN 0.455 nan 8.190 nan 0.000 0.447 337 L N -0.259 120.942 121.223 -0.037 0.000 1.989 337 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 337 L C 2.648 179.487 176.870 -0.051 0.000 1.071 337 L CA 2.121 56.925 54.840 -0.059 0.000 0.749 337 L CB -0.719 41.332 42.059 -0.013 0.000 0.890 337 L HN 0.305 nan 8.230 nan 0.000 0.431 338 K N 0.075 120.463 120.400 -0.021 0.000 2.063 338 K HA -0.271 4.049 4.320 -0.000 0.000 0.208 338 K C 1.825 178.403 176.600 -0.036 0.000 1.048 338 K CA 2.125 58.401 56.287 -0.019 0.000 0.928 338 K CB -0.139 32.362 32.500 0.001 0.000 0.713 338 K HN 0.202 nan 8.250 nan 0.000 0.442 339 D N -0.083 120.290 120.400 -0.044 0.000 2.104 339 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 339 D C 1.642 177.898 176.300 -0.073 0.000 0.994 339 D CA 1.208 55.172 54.000 -0.060 0.000 0.830 339 D CB 0.146 40.900 40.800 -0.078 0.000 0.959 339 D HN 0.046 nan 8.370 nan 0.000 0.452 340 V N -0.690 119.170 119.914 -0.090 0.000 3.235 340 V HA 0.212 4.332 4.120 -0.000 0.000 0.259 340 V C 1.564 177.602 176.094 -0.095 0.000 1.133 340 V CA 0.750 62.988 62.300 -0.103 0.000 1.128 340 V CB -0.229 31.506 31.823 -0.147 0.000 0.757 340 V HN 0.501 nan 8.190 nan 0.000 0.469 341 G N 0.936 109.687 108.800 -0.082 0.000 2.248 341 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.263 341 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.263 341 G C -0.197 174.652 174.900 -0.085 0.000 1.082 341 G CA 0.310 45.371 45.100 -0.066 0.000 0.863 341 G HN 0.414 nan 8.290 nan 0.000 0.495 342 L N -0.972 120.180 121.223 -0.119 0.000 2.331 342 L HA 0.706 5.045 4.340 -0.000 0.000 0.268 342 L C 0.368 177.191 176.870 -0.079 0.000 1.015 342 L CA -1.258 53.496 54.840 -0.144 0.000 0.807 342 L CB 1.325 43.209 42.059 -0.291 0.000 1.293 342 L HN -0.089 nan 8.230 nan 0.000 0.451 343 K N 0.734 121.101 120.400 -0.054 0.000 2.156 343 K HA 0.234 4.553 4.320 -0.000 0.000 0.250 343 K C 0.553 177.177 176.600 0.039 0.000 0.955 343 K CA -0.667 55.621 56.287 0.002 0.000 0.855 343 K CB 1.820 34.328 32.500 0.014 0.000 1.101 343 K HN 0.485 nan 8.250 nan 0.000 0.434 344 K N 0.435 120.903 120.400 0.113 0.000 2.160 344 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 344 K C 0.670 177.427 176.600 0.262 0.000 1.047 344 K CA 1.731 58.179 56.287 0.269 0.000 0.930 344 K CB 0.025 32.689 32.500 0.273 0.000 0.720 344 K HN 0.378 nan 8.250 nan 0.000 0.450 345 E N 1.317 121.604 120.200 0.146 0.000 2.268 345 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 345 E C 1.268 177.929 176.600 0.101 0.000 0.995 345 E CA 1.128 57.603 56.400 0.124 0.000 0.836 345 E CB -0.036 29.710 29.700 0.077 0.000 0.763 345 E HN 0.387 nan 8.360 nan 0.000 0.491 346 D N 0.019 120.455 120.400 0.060 0.000 2.317 346 D HA -0.060 4.580 4.640 -0.000 0.000 0.211 346 D C 0.217 176.548 176.300 0.050 0.000 0.966 346 D CA 0.444 54.470 54.000 0.044 0.000 0.876 346 D CB 0.188 40.972 40.800 -0.027 0.000 0.927 346 D HN 0.144 nan 8.370 nan 0.000 0.519 347 I N 1.365 121.928 120.570 -0.011 0.000 2.396 347 I HA 0.101 4.271 4.170 -0.000 0.000 0.289 347 I C 1.454 177.552 176.117 -0.033 0.000 1.056 347 I CA -0.479 60.730 61.300 -0.150 0.000 1.365 347 I CB 0.795 38.405 38.000 -0.650 0.000 1.407 347 I HN -0.183 nan 8.210 nan 0.000 0.509 348 A N 7.004 129.810 122.820 -0.023 0.000 1.970 348 A HA 0.105 4.425 4.320 -0.000 0.000 0.216 348 A C 1.030 178.639 177.584 0.042 0.000 1.170 348 A CA 0.788 52.840 52.037 0.025 0.000 0.645 348 A CB 0.201 19.204 19.000 0.006 0.000 0.816 348 A HN 0.710 nan 8.150 nan 0.000 0.447 349 M N -1.046 118.522 119.600 -0.053 0.000 2.277 349 M HA 0.458 4.938 4.480 -0.000 0.000 0.282 349 M C -2.457 173.794 176.300 -0.081 0.000 1.074 349 M CA -0.433 54.881 55.300 0.023 0.000 0.954 349 M CB 1.455 34.060 32.600 0.010 0.000 1.672 349 M HN 0.292 nan 8.290 nan 0.000 0.471 350 W N 3.395 124.728 121.300 0.055 0.000 2.529 350 W HA 0.461 5.121 4.660 -0.000 0.000 0.321 350 W C -0.281 176.280 176.519 0.071 0.000 1.047 350 W CA -0.315 57.064 57.345 0.055 0.000 1.216 350 W CB 1.209 30.695 29.460 0.043 0.000 1.357 350 W HN 0.372 nan 8.180 nan 0.000 0.489 351 E N 3.123 123.485 120.200 0.270 0.000 2.121 351 E HA 0.281 4.630 4.350 -0.000 0.000 0.255 351 E C -1.072 175.647 176.600 0.199 0.000 0.906 351 E CA -0.571 55.956 56.400 0.211 0.000 0.745 351 E CB 1.577 31.375 29.700 0.164 0.000 1.155 351 E HN 0.155 nan 8.360 nan 0.000 0.424 352 V N 3.566 123.590 119.914 0.185 0.000 2.328 352 V HA 0.123 4.243 4.120 -0.000 0.000 0.278 352 V C 0.458 176.593 176.094 0.067 0.000 1.021 352 V CA -1.027 61.348 62.300 0.125 0.000 0.838 352 V CB 0.949 32.822 31.823 0.084 0.000 0.999 352 V HN 0.476 nan 8.190 nan 0.000 0.447 353 N N 3.817 122.542 118.700 0.043 0.000 2.359 353 N HA -0.066 4.674 4.740 -0.000 0.000 0.261 353 N C 0.496 175.970 175.510 -0.059 0.000 1.267 353 N CA 0.503 53.538 53.050 -0.025 0.000 0.864 353 N CB 0.460 38.908 38.487 -0.065 0.000 1.063 353 N HN 0.689 nan 8.380 nan 0.000 0.474 354 E N 2.787 122.937 120.200 -0.084 0.000 2.261 354 E HA 0.110 4.460 4.350 -0.000 0.000 0.308 354 E C 0.633 177.129 176.600 -0.173 0.000 1.400 354 E CA -0.362 56.004 56.400 -0.057 0.000 1.542 354 E CB -0.040 29.690 29.700 0.049 0.000 1.369 354 E HN 0.666 nan 8.360 nan 0.000 0.493 355 A N 1.522 124.222 122.820 -0.201 0.000 1.902 355 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 355 A C 0.404 177.613 177.584 -0.625 0.000 1.181 355 A CA 1.152 52.981 52.037 -0.346 0.000 0.623 355 A CB 0.065 19.030 19.000 -0.058 0.000 0.818 355 A HN 0.335 nan 8.150 nan 0.000 0.443 356 F N -3.111 116.876 119.950 0.060 0.000 2.588 356 F HA 0.416 4.942 4.527 -0.000 0.000 0.310 356 F C 1.336 177.135 175.800 -0.002 0.000 1.082 356 F CA -0.455 57.583 58.000 0.063 0.000 0.929 356 F CB 1.563 40.600 39.000 0.062 0.000 1.254 356 F HN -0.115 nan 8.300 nan 0.000 0.455 357 S N 1.295 117.124 115.700 0.214 0.000 2.374 357 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 357 S C 2.124 176.659 174.600 -0.107 0.000 1.037 357 S CA 1.237 59.470 58.200 0.054 0.000 1.024 357 S CB -0.263 63.090 63.200 0.255 0.000 0.861 357 S HN 0.667 nan 8.310 nan 0.000 0.456 358 L N 2.175 123.416 121.223 0.029 0.000 2.021 358 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 358 L C 2.152 178.965 176.870 -0.095 0.000 1.074 358 L CA 2.021 56.835 54.840 -0.043 0.000 0.760 358 L CB -1.213 40.816 42.059 -0.051 0.000 0.889 358 L HN 0.224 nan 8.230 nan 0.000 0.433 359 V N -0.202 119.697 119.914 -0.026 0.000 2.255 359 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 359 V C 2.777 178.790 176.094 -0.134 0.000 1.051 359 V CA 1.737 64.010 62.300 -0.045 0.000 1.018 359 V CB -0.587 31.292 31.823 0.094 0.000 0.641 359 V HN 0.371 nan 8.190 nan 0.000 0.445 360 V N -0.198 119.578 119.914 -0.231 0.000 2.287 360 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 360 V C 2.312 178.204 176.094 -0.337 0.000 1.053 360 V CA 2.029 64.124 62.300 -0.341 0.000 1.027 360 V CB -0.705 30.725 31.823 -0.654 0.000 0.646 360 V HN 0.437 nan 8.190 nan 0.000 0.447 361 L N 0.247 121.254 121.223 -0.360 0.000 2.046 361 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 361 L C 2.787 179.554 176.870 -0.172 0.000 1.077 361 L CA 1.530 56.231 54.840 -0.231 0.000 0.747 361 L CB -0.855 41.104 42.059 -0.168 0.000 0.896 361 L HN 0.362 nan 8.230 nan 0.000 0.432 362 A N 0.026 122.748 122.820 -0.164 0.000 1.940 362 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 362 A C 2.097 179.583 177.584 -0.164 0.000 1.176 362 A CA 1.935 53.882 52.037 -0.149 0.000 0.631 362 A CB -0.638 18.274 19.000 -0.148 0.000 0.814 362 A HN 0.497 nan 8.150 nan 0.000 0.446 363 N N -0.316 118.278 118.700 -0.176 0.000 2.135 363 N HA -0.057 4.682 4.740 -0.000 0.000 0.186 363 N C 1.784 177.152 175.510 -0.237 0.000 1.027 363 N CA 1.459 54.392 53.050 -0.196 0.000 0.849 363 N CB -0.233 38.154 38.487 -0.168 0.000 1.002 363 N HN 0.504 nan 8.380 nan 0.000 0.425 364 I N 1.653 122.085 120.570 -0.229 0.000 2.163 364 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 364 I C 2.596 178.601 176.117 -0.187 0.000 1.085 364 I CA 1.271 62.433 61.300 -0.231 0.000 1.347 364 I CB -0.194 37.704 38.000 -0.171 0.000 1.044 364 I HN 0.132 nan 8.210 nan 0.000 0.408 365 K N 0.999 121.308 120.400 -0.152 0.000 1.985 365 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 365 K C 2.236 178.762 176.600 -0.123 0.000 1.047 365 K CA 1.640 57.855 56.287 -0.120 0.000 0.932 365 K CB -0.069 32.370 32.500 -0.102 0.000 0.716 365 K HN 0.154 nan 8.250 nan 0.000 0.439 366 M N 0.399 119.913 119.600 -0.143 0.000 2.175 366 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 366 M C 2.006 178.217 176.300 -0.148 0.000 1.063 366 M CA 1.315 56.530 55.300 -0.142 0.000 1.119 366 M CB -0.036 32.457 32.600 -0.178 0.000 1.377 366 M HN 0.175 nan 8.290 nan 0.000 0.415 367 L N -0.352 120.758 121.223 -0.188 0.000 2.341 367 L HA -0.009 4.331 4.340 -0.000 0.000 0.214 367 L C 0.179 176.948 176.870 -0.169 0.000 1.115 367 L CA 0.287 55.009 54.840 -0.195 0.000 0.820 367 L CB -0.142 41.730 42.059 -0.310 0.000 0.944 367 L HN 0.325 nan 8.230 nan 0.000 0.452 368 E N 1.189 121.289 120.200 -0.166 0.000 2.287 368 E HA -0.214 4.136 4.350 -0.000 0.000 0.229 368 E C -0.328 176.189 176.600 -0.140 0.000 1.194 368 E CA 0.329 56.654 56.400 -0.125 0.000 0.704 368 E CB -1.717 27.936 29.700 -0.078 0.000 1.216 368 E HN 0.586 nan 8.360 nan 0.000 0.381 369 I N -2.896 117.539 120.570 -0.225 0.000 2.982 369 I HA 0.521 4.690 4.170 -0.000 0.000 0.312 369 I C 0.331 176.341 176.117 -0.179 0.000 1.041 369 I CA -1.137 60.012 61.300 -0.251 0.000 1.053 369 I CB 1.369 39.010 38.000 -0.600 0.000 1.248 369 I HN -0.203 nan 8.210 nan 0.000 0.471 370 D N 3.891 124.228 120.400 -0.105 0.000 2.338 370 D HA 0.254 4.894 4.640 -0.000 0.000 0.255 370 D C -1.750 174.528 176.300 -0.037 0.000 1.237 370 D CA -2.295 51.681 54.000 -0.039 0.000 0.883 370 D CB 1.375 42.187 40.800 0.020 0.000 1.087 370 D HN 0.272 nan 8.370 nan 0.000 0.485 371 P HA -0.161 nan 4.420 nan 0.000 0.218 371 P C 1.078 178.405 177.300 0.045 0.000 1.146 371 P CA 0.937 64.042 63.100 0.009 0.000 0.813 371 P CB 0.270 31.985 31.700 0.026 0.000 0.778 372 Q N -0.361 119.463 119.800 0.041 0.000 2.364 372 Q HA -0.067 4.273 4.340 -0.000 0.000 0.207 372 Q C 1.460 177.508 176.000 0.079 0.000 0.970 372 Q CA 1.126 56.959 55.803 0.050 0.000 0.888 372 Q CB -0.367 28.395 28.738 0.039 0.000 0.951 372 Q HN 0.433 nan 8.270 nan 0.000 0.469 373 K N 0.125 120.590 120.400 0.109 0.000 2.374 373 K HA 0.171 4.490 4.320 -0.000 0.000 0.196 373 K C -0.166 176.586 176.600 0.254 0.000 1.023 373 K CA -0.015 56.386 56.287 0.190 0.000 1.103 373 K CB 1.058 33.723 32.500 0.275 0.000 0.848 373 K HN -0.097 nan 8.250 nan 0.000 0.528 374 V N 2.785 122.803 119.914 0.173 0.000 2.370 374 V HA 0.124 4.244 4.120 -0.000 0.000 0.283 374 V C -0.257 175.950 176.094 0.188 0.000 1.023 374 V CA -1.014 61.401 62.300 0.193 0.000 0.857 374 V CB 1.133 33.013 31.823 0.095 0.000 0.985 374 V HN 0.414 nan 8.190 nan 0.000 0.443 375 N N 2.887 121.709 118.700 0.204 0.000 2.714 375 N HA -0.213 4.527 4.740 -0.000 0.000 0.253 375 N C 0.850 176.428 175.510 0.114 0.000 1.024 375 N CA 1.152 54.302 53.050 0.166 0.000 0.726 375 N CB -0.686 37.920 38.487 0.197 0.000 0.908 375 N HN 0.931 nan 8.380 nan 0.000 0.542 376 I N -3.595 117.050 120.570 0.125 0.000 2.546 376 I HA -0.059 4.111 4.170 -0.000 0.000 0.255 376 I C 0.708 176.857 176.117 0.054 0.000 1.163 376 I CA 1.285 62.636 61.300 0.085 0.000 1.457 376 I CB 0.008 38.060 38.000 0.087 0.000 1.092 376 I HN -0.001 nan 8.210 nan 0.000 0.434 377 N N 1.830 120.569 118.700 0.064 0.000 2.389 377 N HA 0.342 5.082 4.740 -0.000 0.000 0.260 377 N C 0.470 175.982 175.510 0.003 0.000 1.191 377 N CA 0.777 53.834 53.050 0.012 0.000 0.885 377 N CB 0.999 39.475 38.487 -0.019 0.000 1.162 377 N HN 0.639 nan 8.380 nan 0.000 0.512 378 G N -0.740 108.057 108.800 -0.005 0.000 2.698 378 G HA2 0.172 4.132 3.960 -0.000 0.000 0.225 378 G HA3 0.172 4.132 3.960 -0.000 0.000 0.225 378 G C -0.243 174.641 174.900 -0.028 0.000 1.345 378 G CA -0.542 44.541 45.100 -0.028 0.000 0.871 378 G HN 0.601 nan 8.290 nan 0.000 0.540 379 G N -3.158 105.616 108.800 -0.043 0.000 2.490 379 G HA2 0.755 4.714 3.960 -0.000 0.000 0.308 379 G HA3 0.755 4.714 3.960 -0.000 0.000 0.308 379 G C 0.969 175.834 174.900 -0.059 0.000 1.286 379 G CA 1.152 46.234 45.100 -0.030 0.000 0.825 379 G HN 2.151 nan 8.290 nan 0.000 0.479 380 A N -0.819 121.960 122.820 -0.069 0.000 1.986 380 A HA 0.043 4.363 4.320 -0.000 0.000 0.220 380 A C 2.474 180.012 177.584 -0.078 0.000 1.171 380 A CA 2.634 54.615 52.037 -0.094 0.000 0.640 380 A CB -0.622 18.225 19.000 -0.254 0.000 0.811 380 A HN 1.073 nan 8.150 nan 0.000 0.451 381 V N 0.407 120.281 119.914 -0.067 0.000 2.490 381 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 381 V C 2.674 178.626 176.094 -0.237 0.000 1.061 381 V CA 2.328 64.597 62.300 -0.052 0.000 1.064 381 V CB -0.406 31.463 31.823 0.076 0.000 0.670 381 V HN 0.842 nan 8.190 nan 0.000 0.461 382 S N -1.917 113.537 115.700 -0.410 0.000 2.539 382 S HA 0.228 4.698 4.470 -0.000 0.000 0.226 382 S C 1.531 176.011 174.600 -0.200 0.000 1.054 382 S CA -0.027 57.715 58.200 -0.762 0.000 0.910 382 S CB 0.043 62.630 63.200 -1.022 0.000 0.818 382 S HN 0.432 nan 8.310 nan 0.000 0.490 383 L N 1.562 122.732 121.223 -0.089 0.000 2.529 383 L HA 0.418 4.758 4.340 -0.000 0.000 0.223 383 L C 1.283 178.174 176.870 0.034 0.000 1.113 383 L CA 0.418 55.267 54.840 0.016 0.000 0.861 383 L CB -0.476 41.575 42.059 -0.014 0.000 1.012 383 L HN 0.625 nan 8.230 nan 0.000 0.461 384 G N 0.034 108.848 108.800 0.023 0.000 2.707 384 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.686 384 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.686 384 G C -0.952 174.016 174.900 0.112 0.000 1.315 384 G CA -0.622 44.518 45.100 0.066 0.000 0.832 384 G HN 0.319 nan 8.290 nan 0.000 0.573 385 H N 0.961 120.020 119.070 -0.020 0.000 2.538 385 H HA 0.547 5.103 4.556 -0.000 0.000 0.239 385 H C -2.605 172.707 175.328 -0.027 0.000 1.401 385 H CA -2.065 53.962 56.048 -0.035 0.000 1.499 385 H CB 1.066 30.784 29.762 -0.075 0.000 1.624 385 H HN 0.377 nan 8.280 nan 0.000 0.524 386 P HA 0.081 nan 4.420 nan 0.000 0.273 386 P C 1.660 178.894 177.300 -0.110 0.000 1.319 386 P CA -0.179 62.891 63.100 -0.049 0.000 0.885 386 P CB 0.054 31.762 31.700 0.013 0.000 1.015 387 I N 0.958 121.354 120.570 -0.289 0.000 2.194 387 I HA -0.170 4.000 4.170 -0.000 0.000 0.246 387 I C 1.880 177.935 176.117 -0.103 0.000 1.093 387 I CA 1.974 63.049 61.300 -0.375 0.000 1.355 387 I CB -1.332 36.405 38.000 -0.439 0.000 1.046 387 I HN 0.237 nan 8.210 nan 0.000 0.413 388 G N 1.763 110.522 108.800 -0.069 0.000 2.534 388 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.217 388 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.217 388 G C 1.571 176.478 174.900 0.012 0.000 1.128 388 G CA 0.967 46.054 45.100 -0.022 0.000 0.784 388 G HN 0.651 nan 8.290 nan 0.000 0.542 389 M N -1.129 118.486 119.600 0.026 0.000 2.567 389 M HA 0.420 4.900 4.480 -0.000 0.000 0.261 389 M C 2.104 178.448 176.300 0.073 0.000 1.180 389 M CA 1.243 56.571 55.300 0.047 0.000 1.143 389 M CB 0.135 32.761 32.600 0.043 0.000 1.319 389 M HN -0.111 nan 8.290 nan 0.000 0.490 390 S N 1.457 117.224 115.700 0.112 0.000 2.387 390 S HA -0.053 4.417 4.470 -0.000 0.000 0.230 390 S C 2.010 176.662 174.600 0.087 0.000 1.035 390 S CA 1.654 59.929 58.200 0.125 0.000 1.014 390 S CB -1.189 62.143 63.200 0.219 0.000 0.836 390 S HN 0.794 nan 8.310 nan 0.000 0.466 391 G N 0.900 109.750 108.800 0.084 0.000 2.422 391 G HA2 0.017 3.976 3.960 -0.000 0.000 0.218 391 G HA3 0.017 3.976 3.960 -0.000 0.000 0.218 391 G C 1.477 176.411 174.900 0.057 0.000 1.140 391 G CA 0.840 45.979 45.100 0.065 0.000 0.775 391 G HN 0.579 nan 8.290 nan 0.000 0.545 392 A N 0.674 123.527 122.820 0.055 0.000 1.897 392 A HA 0.105 4.425 4.320 -0.000 0.000 0.215 392 A C 2.273 179.901 177.584 0.073 0.000 1.181 392 A CA 1.605 53.674 52.037 0.054 0.000 0.620 392 A CB -0.455 18.574 19.000 0.049 0.000 0.821 392 A HN 0.330 nan 8.150 nan 0.000 0.443 393 R N 0.551 121.099 120.500 0.080 0.000 2.094 393 R HA -0.199 4.140 4.340 -0.000 0.000 0.239 393 R C 2.094 178.470 176.300 0.126 0.000 1.137 393 R CA 2.328 58.486 56.100 0.097 0.000 0.943 393 R CB -0.666 29.679 30.300 0.075 0.000 0.850 393 R HN 0.701 nan 8.270 nan 0.000 0.433 394 I N -1.947 118.688 120.570 0.108 0.000 2.394 394 I HA -0.111 4.058 4.170 -0.000 0.000 0.251 394 I C 1.873 178.070 176.117 0.135 0.000 1.136 394 I CA 0.908 62.286 61.300 0.131 0.000 1.425 394 I CB -0.286 37.773 38.000 0.100 0.000 1.079 394 I HN -0.057 nan 8.210 nan 0.000 0.425 395 V N 2.423 122.394 119.914 0.095 0.000 2.307 395 V HA -0.110 4.010 4.120 -0.000 0.000 0.245 395 V C 2.916 179.048 176.094 0.063 0.000 1.045 395 V CA 2.137 64.476 62.300 0.065 0.000 1.024 395 V CB -1.500 30.347 31.823 0.040 0.000 0.651 395 V HN 0.618 nan 8.190 nan 0.000 0.449 396 G N -0.859 107.997 108.800 0.093 0.000 2.440 396 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.218 396 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.218 396 G C 1.468 176.488 174.900 0.201 0.000 1.154 396 G CA 1.480 46.653 45.100 0.122 0.000 0.767 396 G HN 0.643 nan 8.290 nan 0.000 0.552 397 H N 0.377 119.530 119.070 0.139 0.000 2.326 397 H HA 0.124 4.680 4.556 -0.000 0.000 0.301 397 H C 2.580 177.959 175.328 0.085 0.000 1.081 397 H CA 1.270 57.408 56.048 0.150 0.000 1.334 397 H CB -0.307 29.535 29.762 0.135 0.000 1.385 397 H HN 0.252 nan 8.280 nan 0.000 0.504 398 L N -0.429 120.793 121.223 -0.002 0.000 2.013 398 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 398 L C 2.425 179.214 176.870 -0.136 0.000 1.073 398 L CA 1.991 56.783 54.840 -0.080 0.000 0.753 398 L CB -0.751 41.298 42.059 -0.016 0.000 0.890 398 L HN 0.401 nan 8.230 nan 0.000 0.432 399 T N -2.014 112.461 114.554 -0.131 0.000 2.699 399 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 399 T C 1.739 176.254 174.700 -0.309 0.000 1.036 399 T CA 1.363 63.327 62.100 -0.227 0.000 1.147 399 T CB -0.326 68.372 68.868 -0.282 0.000 0.862 399 T HN 0.408 nan 8.240 nan 0.000 0.446 400 H N 0.152 119.134 119.070 -0.146 0.000 2.448 400 H HA 0.334 4.889 4.556 -0.000 0.000 0.292 400 H C 2.494 177.684 175.328 -0.230 0.000 1.035 400 H CA 1.142 57.090 56.048 -0.166 0.000 1.349 400 H CB -0.148 29.527 29.762 -0.145 0.000 1.425 400 H HN 0.414 nan 8.280 nan 0.000 0.539 401 A N 1.136 123.816 122.820 -0.235 0.000 1.984 401 A HA 0.127 4.447 4.320 -0.000 0.000 0.214 401 A C 1.331 178.815 177.584 -0.168 0.000 1.173 401 A CA -0.177 51.696 52.037 -0.275 0.000 0.673 401 A CB -0.381 18.327 19.000 -0.486 0.000 0.830 401 A HN 0.114 nan 8.150 nan 0.000 0.453 402 L N 1.025 122.159 121.223 -0.149 0.000 2.506 402 L HA 0.046 4.386 4.340 -0.000 0.000 0.281 402 L C 0.263 177.072 176.870 -0.102 0.000 1.228 402 L CA 0.179 54.952 54.840 -0.112 0.000 0.850 402 L CB 0.441 42.433 42.059 -0.112 0.000 1.110 402 L HN 0.251 nan 8.230 nan 0.000 0.496 403 K N 2.228 122.576 120.400 -0.087 0.000 2.098 403 K HA 0.190 4.509 4.320 -0.000 0.000 0.261 403 K C -0.317 176.228 176.600 -0.093 0.000 0.987 403 K CA -0.719 55.521 56.287 -0.080 0.000 0.916 403 K CB 0.986 33.448 32.500 -0.063 0.000 1.039 403 K HN 0.477 nan 8.250 nan 0.000 0.455 404 Q N 0.543 120.291 119.800 -0.086 0.000 2.368 404 Q HA -0.148 4.192 4.340 -0.000 0.000 0.331 404 Q C 0.708 176.637 176.000 -0.118 0.000 1.086 404 Q CA 1.592 57.337 55.803 -0.096 0.000 1.031 404 Q CB -0.015 28.677 28.738 -0.076 0.000 1.125 404 Q HN 0.866 nan 8.270 nan 0.000 0.389 405 G N 2.997 111.702 108.800 -0.159 0.000 2.267 405 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 405 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 405 G C -0.200 174.519 174.900 -0.302 0.000 0.998 405 G CA 0.378 45.350 45.100 -0.215 0.000 0.620 405 G HN 0.675 nan 8.290 nan 0.000 0.529 406 E N -0.187 119.880 120.200 -0.223 0.000 2.383 406 E HA 0.447 4.797 4.350 -0.000 0.000 0.264 406 E C -0.575 175.870 176.600 -0.259 0.000 1.050 406 E CA -0.397 55.886 56.400 -0.195 0.000 0.896 406 E CB 0.507 30.146 29.700 -0.101 0.000 0.982 406 E HN 0.330 nan 8.360 nan 0.000 0.424 407 Y N 0.166 120.409 120.300 -0.095 0.000 2.323 407 Y HA 0.436 4.986 4.550 -0.000 0.000 0.331 407 Y C 0.777 176.571 175.900 -0.177 0.000 1.092 407 Y CA -0.340 57.684 58.100 -0.127 0.000 1.150 407 Y CB 1.868 40.247 38.460 -0.135 0.000 1.200 407 Y HN 0.493 nan 8.280 nan 0.000 0.472 408 G N 3.458 112.257 108.800 -0.002 0.000 2.495 408 G HA2 0.615 4.575 3.960 -0.000 0.000 0.318 408 G HA3 0.615 4.575 3.960 -0.000 0.000 0.318 408 G C -2.021 172.777 174.900 -0.169 0.000 1.257 408 G CA -0.735 44.296 45.100 -0.116 0.000 0.962 408 G HN 0.622 nan 8.290 nan 0.000 0.483 409 L N 1.833 122.864 121.223 -0.320 0.000 2.376 409 L HA 0.782 5.122 4.340 -0.000 0.000 0.275 409 L C 0.035 176.852 176.870 -0.088 0.000 0.987 409 L CA -0.793 53.871 54.840 -0.292 0.000 0.828 409 L CB 1.739 43.410 42.059 -0.646 0.000 1.249 409 L HN 0.648 nan 8.230 nan 0.000 0.409 410 A N 3.220 126.048 122.820 0.014 0.000 2.318 410 A HA 0.821 5.141 4.320 -0.000 0.000 0.324 410 A C -0.603 177.046 177.584 0.108 0.000 1.170 410 A CA -0.316 51.772 52.037 0.085 0.000 0.810 410 A CB 1.409 20.453 19.000 0.075 0.000 1.198 410 A HN 0.673 nan 8.150 nan 0.000 0.484 411 S N 1.461 117.242 115.700 0.136 0.000 2.549 411 S HA 0.812 5.282 4.470 -0.000 0.000 0.280 411 S C -0.842 173.821 174.600 0.105 0.000 1.109 411 S CA -0.562 57.715 58.200 0.128 0.000 0.905 411 S CB 1.426 64.720 63.200 0.157 0.000 1.081 411 S HN 1.311 nan 8.310 nan 0.000 0.477 412 I N 2.014 122.643 120.570 0.098 0.000 2.586 412 I HA 0.452 4.622 4.170 -0.000 0.000 0.288 412 I C -0.406 175.776 176.117 0.109 0.000 1.147 412 I CA -0.684 60.669 61.300 0.089 0.000 1.047 412 I CB 1.098 39.143 38.000 0.075 0.000 1.244 412 I HN 1.210 nan 8.210 nan 0.000 0.429 413 C N 5.497 124.880 119.300 0.139 0.000 2.595 413 C HA 0.666 5.125 4.460 -0.000 0.000 0.384 413 C C -0.175 174.896 174.990 0.135 0.000 1.289 413 C CA -0.349 58.788 59.018 0.198 0.000 2.372 413 C CB 0.357 28.320 27.740 0.372 0.000 2.593 413 C HN 0.872 nan 8.230 nan 0.000 0.639 414 N N 0.494 119.252 118.700 0.096 0.000 2.277 414 N HA 0.423 5.163 4.740 -0.000 0.000 0.286 414 N C -0.304 175.132 175.510 -0.123 0.000 1.140 414 N CA -0.277 52.759 53.050 -0.023 0.000 0.799 414 N CB 1.742 40.235 38.487 0.009 0.000 1.596 414 N HN 1.086 nan 8.380 nan 0.000 0.473 415 G N -0.948 107.708 108.800 -0.240 0.000 2.391 415 G HA2 0.338 4.297 3.960 -0.000 0.000 0.234 415 G HA3 0.338 4.297 3.960 -0.000 0.000 0.234 415 G C 1.157 176.025 174.900 -0.053 0.000 1.284 415 G CA 0.545 45.494 45.100 -0.251 0.000 0.873 415 G HN 1.395 nan 8.290 nan 0.000 0.549 416 G N 0.134 108.960 108.800 0.042 0.000 2.213 416 G HA2 0.234 4.194 3.960 -0.000 0.000 0.226 416 G HA3 0.234 4.194 3.960 -0.000 0.000 0.226 416 G C 1.327 176.304 174.900 0.129 0.000 0.992 416 G CA 0.862 46.056 45.100 0.156 0.000 0.632 416 G HN 2.662 nan 8.290 nan 0.000 0.511 417 G N -1.096 107.799 108.800 0.159 0.000 2.148 417 G HA2 0.354 4.313 3.960 -0.000 0.000 0.203 417 G HA3 0.354 4.313 3.960 -0.000 0.000 0.203 417 G C 1.062 176.056 174.900 0.156 0.000 0.993 417 G CA 0.862 46.072 45.100 0.184 0.000 0.661 417 G HN 2.017 nan 8.290 nan 0.000 0.518 418 G N -0.874 108.007 108.800 0.136 0.000 2.552 418 G HA2 1.029 4.989 3.960 -0.000 0.000 0.324 418 G HA3 1.029 4.989 3.960 -0.000 0.000 0.324 418 G C -0.240 174.741 174.900 0.136 0.000 1.217 418 G CA 0.032 45.202 45.100 0.116 0.000 0.989 418 G HN 1.681 nan 8.290 nan 0.000 0.490 419 A N -0.519 122.374 122.820 0.121 0.000 2.604 419 A HA 0.790 5.110 4.320 -0.000 0.000 0.295 419 A C -0.476 177.172 177.584 0.106 0.000 1.067 419 A CA -0.483 51.626 52.037 0.120 0.000 0.683 419 A CB 1.440 20.521 19.000 0.135 0.000 1.281 419 A HN 0.935 nan 8.150 nan 0.000 0.407 420 S N -0.492 115.268 115.700 0.099 0.000 2.568 420 S HA 0.924 5.394 4.470 -0.000 0.000 0.302 420 S C -0.171 174.495 174.600 0.110 0.000 1.082 420 S CA 0.077 58.337 58.200 0.100 0.000 1.009 420 S CB 1.766 65.010 63.200 0.074 0.000 1.069 420 S HN 1.932 nan 8.310 nan 0.000 0.500 421 A N 1.832 124.729 122.820 0.128 0.000 2.572 421 A HA 0.872 5.192 4.320 -0.000 0.000 0.295 421 A C -1.215 176.462 177.584 0.155 0.000 1.072 421 A CA -0.673 51.440 52.037 0.126 0.000 0.691 421 A CB 1.632 20.706 19.000 0.122 0.000 1.291 421 A HN 0.830 nan 8.150 nan 0.000 0.404 422 M N 1.824 121.499 119.600 0.125 0.000 2.322 422 M HA 0.647 5.127 4.480 -0.000 0.000 0.286 422 M C -2.386 173.958 176.300 0.073 0.000 1.111 422 M CA -0.756 54.636 55.300 0.154 0.000 0.941 422 M CB 1.760 34.442 32.600 0.137 0.000 1.671 422 M HN 0.792 nan 8.290 nan 0.000 0.470 423 L N 7.190 128.452 121.223 0.066 0.000 2.296 423 L HA 0.788 5.128 4.340 -0.000 0.000 0.286 423 L C -1.216 175.694 176.870 0.067 0.000 1.023 423 L CA -0.383 54.464 54.840 0.011 0.000 0.812 423 L CB 1.361 43.390 42.059 -0.050 0.000 1.223 423 L HN 0.755 nan 8.230 nan 0.000 0.421 424 I N 1.428 122.036 120.570 0.064 0.000 2.846 424 I HA 0.662 4.831 4.170 -0.000 0.000 0.307 424 I C -1.118 175.046 176.117 0.078 0.000 1.053 424 I CA -0.763 60.576 61.300 0.065 0.000 1.050 424 I CB 2.072 40.083 38.000 0.018 0.000 1.239 424 I HN 0.762 nan 8.210 nan 0.000 0.439 425 Q N 3.364 123.165 119.800 0.001 0.000 2.321 425 Q HA 0.363 4.703 4.340 -0.000 0.000 0.270 425 Q C -1.187 174.721 176.000 -0.153 0.000 1.032 425 Q CA -0.931 54.777 55.803 -0.157 0.000 0.784 425 Q CB 1.859 30.416 28.738 -0.301 0.000 1.264 425 Q HN 0.556 nan 8.270 nan 0.000 0.448 426 K N 2.909 123.203 120.400 -0.177 0.000 2.382 426 K HA 0.175 4.495 4.320 -0.000 0.000 0.275 426 K C -0.511 176.006 176.600 -0.139 0.000 1.009 426 K CA -0.043 56.159 56.287 -0.143 0.000 0.970 426 K CB 0.519 32.937 32.500 -0.136 0.000 0.934 426 K HN 0.498 nan 8.250 nan 0.000 0.479 427 L N 0.000 121.158 121.223 -0.108 0.000 2.949 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 427 L CA 0.000 54.786 54.840 -0.090 0.000 0.813 427 L CB 0.000 42.015 42.059 -0.073 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502