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 1l1y_1_E DATA FIRST_RESID 28 DATA SEQUENCE GPTKAPTKDG TSYKDLFLEL YGKIKDPKNG YFSPDEGIPY HSIETLIVEA DATA SEQUENCE PDYGHVTTSE AFSYYVWLEA MYGNLTGNWS GVETAWKVME DWIIPDSTEQ DATA SEQUENCE PGMSSYNPNS PATYADEYED PSYYPSELKF DTVRVGSDPV HNDLVSAYGP DATA SEQUENCE NMYLMHWLMD VDNWYGFGTG TRATFINTFQ RGEQESTWET IPHPSIEEFK DATA SEQUENCE YGGPNGFLDL FTKDRSYAKQ WRYTNAPDAE GRAIQAVYWA NKWAKEQGKG DATA SEQUENCE SAVASVVSKA AKMGDFLRND MFDKYFMKIG AQDKTPATGY DSAHYLMAWY DATA SEQUENCE TAWGGGIGAS WAWKIGCSHA HFGYQNPFQG WVSATQSDFA PKSSNGKRDW DATA SEQUENCE TTSYKRQLEF YQWLQSAEGG IAGGATNSWN GRYEKYPAGT STFYGMAYVP DATA SEQUENCE HPVYADPGSN QWFGFQAWSM QRVMEYYLET GDSSVKNLIK KWVDWVMSEI DATA SEQUENCE KLYDDGTFAI PSDLEWSGQP DTWTGTYTGN PNLHVRVTSY GTDLGVAGSL DATA SEQUENCE ANALATYAAA TERWEGKLDT KARDMAAELV NRAWYNFYCS EGKGVVTEEA DATA SEQUENCE RADYKRFFEQ EVYVPAGWSG TMPNGDKIQP GIKFIDIRTK YRQDPYYDIV DATA SEQUENCE YQAYLRGEAP VLNYHRFWHE VDLAVAMGVL ATYFPDMTYK VP 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 28 G C 0.000 174.883 174.900 -0.028 0.000 0.946 28 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 29 P HA 0.483 nan 4.420 nan 0.000 0.269 29 P C -0.195 177.028 177.300 -0.127 0.000 1.215 29 P CA 0.200 63.256 63.100 -0.073 0.000 0.780 29 P CB 1.135 32.745 31.700 -0.150 0.000 0.898 30 T N 1.796 116.273 114.554 -0.128 0.000 2.900 30 T HA 0.274 4.624 4.350 -0.000 0.000 0.303 30 T C -0.812 173.762 174.700 -0.210 0.000 1.142 30 T CA -0.916 61.111 62.100 -0.121 0.000 1.007 30 T CB 1.140 70.008 68.868 -0.000 0.000 1.156 30 T HN 0.118 nan 8.240 nan 0.000 0.490 31 K N 1.747 121.968 120.400 -0.298 0.000 2.368 31 K HA 0.519 4.839 4.320 -0.000 0.000 0.282 31 K C 0.211 176.594 176.600 -0.361 0.000 1.035 31 K CA -0.305 55.684 56.287 -0.497 0.000 0.973 31 K CB 0.612 32.815 32.500 -0.495 0.000 0.957 31 K HN 0.734 nan 8.250 nan 0.000 0.474 32 A N 5.107 127.705 122.820 -0.370 0.000 2.477 32 A HA 0.206 4.526 4.320 -0.000 0.000 0.246 32 A C -1.143 176.272 177.584 -0.280 0.000 1.078 32 A CA -0.892 50.786 52.037 -0.598 0.000 0.770 32 A CB -0.027 18.686 19.000 -0.479 0.000 1.011 32 A HN 0.482 nan 8.150 nan 0.000 0.494 33 P HA 0.009 nan 4.420 nan 0.000 0.241 33 P C 0.288 177.575 177.300 -0.021 0.000 1.191 33 P CA 0.402 63.403 63.100 -0.165 0.000 0.771 33 P CB -0.376 31.210 31.700 -0.189 0.000 0.929 34 T N 1.259 115.826 114.554 0.023 0.000 2.891 34 T HA 0.226 4.575 4.350 -0.000 0.000 0.296 34 T C 0.730 175.562 174.700 0.220 0.000 1.025 34 T CA 0.446 62.619 62.100 0.122 0.000 1.149 34 T CB -0.059 68.850 68.868 0.068 0.000 1.007 34 T HN 0.274 nan 8.240 nan 0.000 0.528 35 K N 2.537 123.026 120.400 0.149 0.000 2.185 35 K HA 0.287 4.607 4.320 -0.000 0.000 0.271 35 K C 0.132 176.829 176.600 0.162 0.000 1.013 35 K CA -0.859 55.502 56.287 0.124 0.000 0.943 35 K CB 0.181 32.717 32.500 0.060 0.000 0.998 35 K HN 0.715 nan 8.250 nan 0.000 0.468 36 D N 0.560 120.999 120.400 0.066 0.000 2.478 36 D HA 0.317 4.957 4.640 -0.000 0.000 0.234 36 D C 1.430 177.734 176.300 0.007 0.000 1.154 36 D CA 2.114 56.108 54.000 -0.011 0.000 0.874 36 D CB 0.628 41.385 40.800 -0.072 0.000 1.198 36 D HN 0.998 nan 8.370 nan 0.000 0.455 37 G N 1.256 110.045 108.800 -0.020 0.000 2.199 37 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 37 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 37 G C 0.539 175.418 174.900 -0.034 0.000 0.982 37 G CA 0.378 45.459 45.100 -0.031 0.000 0.632 37 G HN 0.620 nan 8.290 nan 0.000 0.529 38 T N 2.298 116.849 114.554 -0.005 0.000 2.888 38 T HA 0.468 4.818 4.350 -0.000 0.000 0.301 38 T C 1.015 175.616 174.700 -0.165 0.000 1.001 38 T CA 0.639 62.705 62.100 -0.057 0.000 1.147 38 T CB 1.199 70.038 68.868 -0.048 0.000 0.931 38 T HN 1.203 nan 8.240 nan 0.000 0.541 39 S N 2.916 118.523 115.700 -0.155 0.000 2.592 39 S HA 0.217 4.687 4.470 -0.000 0.000 0.271 39 S C 0.755 175.217 174.600 -0.231 0.000 1.326 39 S CA -0.683 57.408 58.200 -0.181 0.000 1.024 39 S CB 0.314 63.470 63.200 -0.074 0.000 0.921 39 S HN 0.575 nan 8.310 nan 0.000 0.527 40 Y N 1.189 121.480 120.300 -0.016 0.000 2.274 40 Y HA -0.054 4.496 4.550 -0.000 0.000 0.290 40 Y C 2.507 178.381 175.900 -0.043 0.000 1.145 40 Y CA 1.585 59.661 58.100 -0.040 0.000 1.203 40 Y CB -0.431 38.023 38.460 -0.010 0.000 0.984 40 Y HN 0.805 nan 8.280 nan 0.000 0.533 41 K N 0.388 120.832 120.400 0.074 0.000 2.032 41 K HA -0.209 4.110 4.320 -0.000 0.000 0.209 41 K C 1.411 178.045 176.600 0.056 0.000 1.048 41 K CA 2.060 58.364 56.287 0.029 0.000 0.927 41 K CB -0.171 32.300 32.500 -0.047 0.000 0.712 41 K HN 0.165 nan 8.250 nan 0.000 0.441 42 D N 0.923 121.315 120.400 -0.012 0.000 2.144 42 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 42 D C 2.009 178.259 176.300 -0.083 0.000 0.978 42 D CA 0.818 54.798 54.000 -0.033 0.000 0.833 42 D CB -0.063 40.704 40.800 -0.056 0.000 0.961 42 D HN 0.249 nan 8.370 nan 0.000 0.470 43 L N -0.127 120.998 121.223 -0.163 0.000 2.046 43 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 43 L C 2.379 179.105 176.870 -0.240 0.000 1.077 43 L CA 0.870 55.492 54.840 -0.363 0.000 0.747 43 L CB -0.415 41.331 42.059 -0.521 0.000 0.896 43 L HN 0.020 nan 8.230 nan 0.000 0.432 44 F N 0.834 120.688 119.950 -0.160 0.000 2.102 44 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 44 F C 2.231 178.035 175.800 0.006 0.000 1.105 44 F CA 1.571 59.525 58.000 -0.077 0.000 1.239 44 F CB -0.228 38.734 39.000 -0.064 0.000 0.991 44 F HN -0.120 nan 8.300 nan 0.000 0.474 45 L N 0.246 121.461 121.223 -0.012 0.000 2.083 45 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 45 L C 2.567 179.404 176.870 -0.054 0.000 1.083 45 L CA 1.912 56.728 54.840 -0.041 0.000 0.752 45 L CB -0.897 41.216 42.059 0.089 0.000 0.899 45 L HN 0.310 nan 8.230 nan 0.000 0.433 46 E N 0.673 120.838 120.200 -0.059 0.000 2.031 46 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 46 E C 2.391 178.984 176.600 -0.012 0.000 0.994 46 E CA 1.151 57.550 56.400 -0.000 0.000 0.800 46 E CB -0.059 29.661 29.700 0.033 0.000 0.752 46 E HN 0.432 nan 8.360 nan 0.000 0.447 47 L N 0.244 121.403 121.223 -0.107 0.000 2.046 47 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 47 L C 2.505 179.273 176.870 -0.170 0.000 1.077 47 L CA 1.583 56.383 54.840 -0.068 0.000 0.747 47 L CB -0.417 41.587 42.059 -0.092 0.000 0.896 47 L HN 0.343 nan 8.230 nan 0.000 0.432 48 Y N 0.392 120.399 120.300 -0.487 0.000 2.081 48 Y HA -0.275 4.274 4.550 -0.000 0.000 0.280 48 Y C 2.255 177.995 175.900 -0.267 0.000 1.163 48 Y CA 2.037 59.844 58.100 -0.489 0.000 1.135 48 Y CB -0.709 37.297 38.460 -0.758 0.000 0.970 48 Y HN 0.173 nan 8.280 nan 0.000 0.498 49 G N -0.148 108.633 108.800 -0.032 0.000 2.422 49 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.218 49 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.218 49 G C 1.623 176.473 174.900 -0.083 0.000 1.146 49 G CA 1.016 46.095 45.100 -0.036 0.000 0.769 49 G HN 0.411 nan 8.290 nan 0.000 0.547 50 K N -0.245 120.125 120.400 -0.050 0.000 2.155 50 K HA 0.133 4.452 4.320 -0.000 0.000 0.203 50 K C 2.335 178.931 176.600 -0.007 0.000 1.052 50 K CA 0.551 56.840 56.287 0.003 0.000 0.948 50 K CB -0.102 32.429 32.500 0.053 0.000 0.728 50 K HN 0.334 nan 8.250 nan 0.000 0.448 51 I N 1.168 121.625 120.570 -0.189 0.000 2.353 51 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 51 I C 1.833 177.928 176.117 -0.036 0.000 1.119 51 I CA 1.029 62.129 61.300 -0.334 0.000 1.417 51 I CB 0.035 37.750 38.000 -0.474 0.000 1.078 51 I HN -0.004 nan 8.210 nan 0.000 0.421 52 K N -0.025 120.242 120.400 -0.222 0.000 2.361 52 K HA 0.039 4.359 4.320 -0.000 0.000 0.196 52 K C 0.302 176.820 176.600 -0.137 0.000 1.039 52 K CA 0.195 56.320 56.287 -0.271 0.000 1.001 52 K CB -0.427 31.742 32.500 -0.551 0.000 0.795 52 K HN 0.140 nan 8.250 nan 0.000 0.495 53 D N 3.329 123.702 120.400 -0.046 0.000 2.426 53 D HA -0.031 4.609 4.640 -0.000 0.000 0.261 53 D C -1.403 174.913 176.300 0.027 0.000 1.245 53 D CA -1.486 52.511 54.000 -0.006 0.000 0.917 53 D CB 1.153 41.965 40.800 0.021 0.000 1.123 53 D HN -0.036 nan 8.370 nan 0.000 0.508 54 P HA -0.191 nan 4.420 nan 0.000 0.219 54 P C 1.119 178.424 177.300 0.009 0.000 1.146 54 P CA 1.500 64.600 63.100 -0.002 0.000 0.808 54 P CB 0.077 31.760 31.700 -0.028 0.000 0.779 55 K N 0.257 120.657 120.400 0.001 0.000 2.209 55 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 55 K C 1.823 178.406 176.600 -0.029 0.000 1.048 55 K CA 1.528 57.808 56.287 -0.012 0.000 0.940 55 K CB -1.555 30.939 32.500 -0.011 0.000 0.729 55 K HN 0.190 nan 8.250 nan 0.000 0.451 56 N N -0.645 118.051 118.700 -0.006 0.000 2.409 56 N HA 0.036 4.775 4.740 -0.000 0.000 0.179 56 N C 1.349 176.750 175.510 -0.182 0.000 1.032 56 N CA 1.176 54.185 53.050 -0.068 0.000 0.898 56 N CB 0.447 38.970 38.487 0.059 0.000 0.971 56 N HN 0.663 nan 8.380 nan 0.000 0.441 57 G N 0.099 108.863 108.800 -0.060 0.000 2.137 57 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.237 57 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.237 57 G C 0.479 175.327 174.900 -0.087 0.000 1.002 57 G CA 0.261 45.325 45.100 -0.060 0.000 0.702 57 G HN 0.363 nan 8.290 nan 0.000 0.515 58 Y N -1.000 119.301 120.300 0.002 0.000 2.421 58 Y HA 0.349 4.899 4.550 -0.000 0.000 0.292 58 Y C 1.399 176.940 175.900 -0.599 0.000 1.136 58 Y CA 1.092 59.079 58.100 -0.188 0.000 1.255 58 Y CB 0.043 38.407 38.460 -0.159 0.000 0.991 58 Y HN 0.329 nan 8.280 nan 0.000 0.552 59 F N -1.193 118.610 119.950 -0.244 0.000 2.538 59 F HA 0.364 4.891 4.527 -0.000 0.000 0.325 59 F C 0.387 175.815 175.800 -0.619 0.000 1.066 59 F CA -2.024 55.632 58.000 -0.573 0.000 0.946 59 F CB 0.915 39.633 39.000 -0.469 0.000 1.199 59 F HN -0.387 nan 8.300 nan 0.000 0.473 60 S N 2.316 117.565 115.700 -0.753 0.000 2.549 60 S HA 0.153 4.623 4.470 -0.000 0.000 0.283 60 S C -1.824 172.654 174.600 -0.203 0.000 1.320 60 S CA -0.894 56.984 58.200 -0.536 0.000 1.058 60 S CB 0.849 63.688 63.200 -0.601 0.000 0.882 60 S HN 0.462 nan 8.310 nan 0.000 0.498 61 P HA -0.070 nan 4.420 nan 0.000 0.217 61 P C 0.525 177.788 177.300 -0.061 0.000 1.150 61 P CA 1.158 64.230 63.100 -0.047 0.000 0.832 61 P CB -0.020 31.676 31.700 -0.006 0.000 0.787 62 D N -0.592 119.759 120.400 -0.081 0.000 2.277 62 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 62 D C 1.594 177.838 176.300 -0.094 0.000 0.962 62 D CA 1.029 54.985 54.000 -0.073 0.000 0.865 62 D CB 0.006 40.759 40.800 -0.079 0.000 0.939 62 D HN 0.420 nan 8.370 nan 0.000 0.510 63 E N -1.906 118.185 120.200 -0.181 0.000 2.712 63 E HA 0.143 4.493 4.350 -0.000 0.000 0.221 63 E C 1.106 177.633 176.600 -0.122 0.000 0.943 63 E CA 0.605 56.899 56.400 -0.177 0.000 1.259 63 E CB -0.250 29.169 29.700 -0.468 0.000 1.167 63 E HN 0.034 nan 8.360 nan 0.000 0.569 64 G N 2.365 111.071 108.800 -0.156 0.000 2.198 64 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 64 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 64 G C 0.119 174.976 174.900 -0.071 0.000 1.042 64 G CA 0.461 45.497 45.100 -0.108 0.000 0.791 64 G HN 0.344 nan 8.290 nan 0.000 0.502 65 I N 2.218 122.616 120.570 -0.286 0.000 2.416 65 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 65 I C -1.493 174.169 176.117 -0.760 0.000 1.051 65 I CA -2.256 58.789 61.300 -0.424 0.000 1.375 65 I CB 1.175 38.905 38.000 -0.449 0.000 1.407 65 I HN -0.060 nan 8.210 nan 0.000 0.516 66 P HA 0.018 nan 4.420 nan 0.000 0.267 66 P C -1.077 175.596 177.300 -1.045 0.000 1.209 66 P CA 0.208 62.391 63.100 -1.528 0.000 0.763 66 P CB 0.232 30.787 31.700 -1.909 0.000 0.816 67 Y N 1.245 121.084 120.300 -0.767 0.000 2.281 67 Y HA 0.056 4.606 4.550 -0.000 0.000 0.337 67 Y C 2.432 178.175 175.900 -0.261 0.000 1.304 67 Y CA 0.159 57.983 58.100 -0.460 0.000 1.465 67 Y CB -0.125 38.029 38.460 -0.510 0.000 1.350 67 Y HN 0.490 nan 8.280 nan 0.000 0.575 68 H N 0.085 119.178 119.070 0.038 0.000 2.321 68 H HA -0.020 4.535 4.556 -0.000 0.000 0.300 68 H C 0.001 175.387 175.328 0.096 0.000 1.087 68 H CA 1.348 57.446 56.048 0.084 0.000 1.319 68 H CB 0.197 29.995 29.762 0.061 0.000 1.379 68 H HN 0.484 nan 8.280 nan 0.000 0.501 69 S N -2.177 113.525 115.700 0.004 0.000 2.596 69 S HA 0.257 4.727 4.470 -0.000 0.000 0.270 69 S C 0.914 175.526 174.600 0.019 0.000 1.155 69 S CA -0.431 57.750 58.200 -0.033 0.000 0.827 69 S CB 0.584 63.714 63.200 -0.117 0.000 1.130 69 S HN 0.176 nan 8.310 nan 0.000 0.467 70 I N 0.656 121.204 120.570 -0.037 0.000 2.163 70 I HA -0.127 4.043 4.170 -0.000 0.000 0.243 70 I C 0.664 176.770 176.117 -0.018 0.000 1.085 70 I CA 1.386 62.621 61.300 -0.108 0.000 1.347 70 I CB -0.378 37.404 38.000 -0.363 0.000 1.044 70 I HN 0.666 nan 8.210 nan 0.000 0.408 71 E N 0.485 120.709 120.200 0.040 0.000 2.373 71 E HA 0.022 4.372 4.350 -0.000 0.000 0.263 71 E C 1.128 177.632 176.600 -0.161 0.000 1.073 71 E CA 0.343 56.767 56.400 0.040 0.000 0.894 71 E CB 0.608 30.549 29.700 0.402 0.000 1.008 71 E HN 0.220 nan 8.360 nan 0.000 0.420 72 T N -0.601 113.771 114.554 -0.304 0.000 3.040 72 T HA 0.065 4.415 4.350 -0.000 0.000 0.252 72 T C 0.634 175.193 174.700 -0.235 0.000 1.064 72 T CA -0.309 61.401 62.100 -0.649 0.000 1.110 72 T CB 0.210 68.617 68.868 -0.768 0.000 0.921 72 T HN 0.180 nan 8.240 nan 0.000 0.480 73 L N 2.335 123.649 121.223 0.152 0.000 2.282 73 L HA 0.710 5.049 4.340 -0.000 0.000 0.287 73 L C -0.831 176.204 176.870 0.274 0.000 1.075 73 L CA -1.688 53.312 54.840 0.266 0.000 0.839 73 L CB -0.562 41.622 42.059 0.209 0.000 1.219 73 L HN 0.438 nan 8.230 nan 0.000 0.434 74 I N 4.641 125.308 120.570 0.163 0.000 2.753 74 I HA 0.451 4.621 4.170 -0.000 0.000 0.291 74 I C -1.752 174.367 176.117 0.003 0.000 1.425 74 I CA -0.448 60.914 61.300 0.104 0.000 1.039 74 I CB 2.303 40.185 38.000 -0.197 0.000 1.349 74 I HN 0.199 nan 8.210 nan 0.000 0.430 75 V N 7.433 127.331 119.914 -0.026 0.000 2.524 75 V HA 0.506 4.626 4.120 -0.000 0.000 0.297 75 V C 0.020 176.024 176.094 -0.150 0.000 1.035 75 V CA -0.127 61.997 62.300 -0.292 0.000 0.867 75 V CB 1.426 32.656 31.823 -0.988 0.000 1.004 75 V HN 0.944 nan 8.190 nan 0.000 0.426 76 E N 4.035 124.141 120.200 -0.157 0.000 3.383 76 E HA 0.343 4.693 4.350 -0.000 0.000 0.256 76 E C 0.982 177.559 176.600 -0.039 0.000 1.197 76 E CA 0.634 56.993 56.400 -0.068 0.000 1.851 76 E CB 0.873 30.571 29.700 -0.004 0.000 2.128 76 E HN 0.556 nan 8.360 nan 0.000 0.951 77 A N 1.069 123.898 122.820 0.015 0.000 1.852 77 A HA 0.374 4.694 4.320 -0.000 0.000 0.205 77 A C -2.067 175.713 177.584 0.326 0.000 1.757 77 A CA 0.130 52.289 52.037 0.204 0.000 1.088 77 A CB -0.487 18.633 19.000 0.200 0.000 1.079 77 A HN 0.229 nan 8.150 nan 0.000 0.524 78 P HA 0.291 nan 4.420 nan 0.000 0.277 78 P C -1.287 175.982 177.300 -0.053 0.000 1.240 78 P CA 0.310 63.413 63.100 0.005 0.000 0.798 78 P CB 0.985 32.546 31.700 -0.230 0.000 0.979 79 D N -0.494 119.918 120.400 0.020 0.000 2.462 79 D HA 0.123 4.763 4.640 -0.000 0.000 0.221 79 D C -0.610 175.823 176.300 0.222 0.000 1.173 79 D CA -0.347 53.687 54.000 0.057 0.000 0.831 79 D CB -0.536 40.333 40.800 0.115 0.000 1.001 79 D HN 0.303 nan 8.370 nan 0.000 0.499 80 Y N -0.495 119.774 120.300 -0.051 0.000 2.436 80 Y HA 0.478 5.027 4.550 -0.000 0.000 0.327 80 Y C 1.021 176.823 175.900 -0.162 0.000 1.138 80 Y CA -0.932 57.045 58.100 -0.205 0.000 1.042 80 Y CB 1.787 39.922 38.460 -0.543 0.000 1.302 80 Y HN -0.142 nan 8.280 nan 0.000 0.439 81 G N 2.390 110.762 108.800 -0.712 0.000 2.471 81 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 81 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 81 G C 0.639 175.341 174.900 -0.331 0.000 1.125 81 G CA 0.671 45.531 45.100 -0.400 0.000 0.775 81 G HN 0.841 nan 8.290 nan 0.000 0.548 82 H N -0.396 118.050 119.070 -1.040 0.000 2.507 82 H HA 0.260 4.816 4.556 -0.000 0.000 0.294 82 H C 0.865 176.163 175.328 -0.050 0.000 1.064 82 H CA -0.719 54.926 56.048 -0.671 0.000 1.138 82 H CB 0.508 29.687 29.762 -0.972 0.000 1.515 82 H HN 0.256 nan 8.280 nan 0.000 0.547 83 V N -0.697 119.290 119.914 0.122 0.000 3.319 83 V HA 0.224 4.344 4.120 -0.000 0.000 0.303 83 V C 0.633 176.812 176.094 0.142 0.000 1.094 83 V CA -0.435 61.964 62.300 0.164 0.000 1.106 83 V CB 1.793 33.671 31.823 0.092 0.000 1.099 83 V HN 0.082 nan 8.190 nan 0.000 0.476 84 T N 1.279 115.886 114.554 0.088 0.000 2.940 84 T HA 0.752 5.102 4.350 -0.000 0.000 0.288 84 T C -0.221 174.531 174.700 0.087 0.000 1.033 84 T CA 0.238 62.365 62.100 0.045 0.000 1.033 84 T CB 1.397 70.249 68.868 -0.027 0.000 1.079 84 T HN 1.385 nan 8.240 nan 0.000 0.496 85 T N -0.277 114.370 114.554 0.154 0.000 2.916 85 T HA 0.435 4.785 4.350 -0.000 0.000 0.292 85 T C 1.469 176.372 174.700 0.338 0.000 1.064 85 T CA -0.158 62.067 62.100 0.207 0.000 1.011 85 T CB 1.303 70.347 68.868 0.293 0.000 1.152 85 T HN 0.593 nan 8.240 nan 0.000 0.510 86 S N -0.189 115.706 115.700 0.325 0.000 2.419 86 S HA -0.178 4.292 4.470 -0.000 0.000 0.233 86 S C 1.683 176.466 174.600 0.304 0.000 1.016 86 S CA 1.184 59.573 58.200 0.316 0.000 0.974 86 S CB -0.724 62.590 63.200 0.190 0.000 0.786 86 S HN 0.862 nan 8.310 nan 0.000 0.492 87 E N 2.100 122.471 120.200 0.284 0.000 2.049 87 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 87 E C 2.206 179.066 176.600 0.433 0.000 1.007 87 E CA 1.330 57.898 56.400 0.279 0.000 0.809 87 E CB -0.643 29.223 29.700 0.276 0.000 0.749 87 E HN 0.640 nan 8.360 nan 0.000 0.450 88 A N 0.332 123.399 122.820 0.412 0.000 1.892 88 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 88 A C 2.025 179.822 177.584 0.356 0.000 1.188 88 A CA 1.630 53.903 52.037 0.393 0.000 0.631 88 A CB -1.114 17.907 19.000 0.036 0.000 0.822 88 A HN 0.427 nan 8.150 nan 0.000 0.447 89 F N 1.178 121.288 119.950 0.267 0.000 2.126 89 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 89 F C 3.049 179.013 175.800 0.273 0.000 1.096 89 F CA 1.921 60.076 58.000 0.259 0.000 1.255 89 F CB -0.231 38.824 39.000 0.092 0.000 0.997 89 F HN 0.391 nan 8.300 nan 0.000 0.479 90 S N -0.965 114.965 115.700 0.383 0.000 2.383 90 S HA -0.248 4.222 4.470 -0.000 0.000 0.227 90 S C 1.853 176.630 174.600 0.295 0.000 1.026 90 S CA 1.080 59.408 58.200 0.212 0.000 0.981 90 S CB -1.183 62.022 63.200 0.010 0.000 0.818 90 S HN 0.391 nan 8.310 nan 0.000 0.472 91 Y N 0.419 120.984 120.300 0.442 0.000 2.242 91 Y HA -0.021 4.529 4.550 -0.000 0.000 0.291 91 Y C 2.562 178.861 175.900 0.665 0.000 1.137 91 Y CA 1.223 59.651 58.100 0.545 0.000 1.181 91 Y CB -0.701 38.037 38.460 0.464 0.000 0.989 91 Y HN 0.361 nan 8.280 nan 0.000 0.527 92 Y N 0.172 120.936 120.300 0.773 0.000 2.145 92 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 92 Y C 2.278 178.528 175.900 0.583 0.000 1.145 92 Y CA 1.247 59.778 58.100 0.719 0.000 1.148 92 Y CB -0.895 37.878 38.460 0.521 0.000 0.981 92 Y HN -0.077 nan 8.280 nan 0.000 0.507 93 V N -0.868 119.322 119.914 0.460 0.000 2.332 93 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 93 V C 2.175 178.608 176.094 0.565 0.000 1.055 93 V CA 1.902 64.440 62.300 0.397 0.000 1.038 93 V CB -1.041 31.031 31.823 0.415 0.000 0.651 93 V HN 0.589 nan 8.190 nan 0.000 0.450 94 W N 0.392 121.908 121.300 0.360 0.000 2.358 94 W HA -0.151 4.508 4.660 -0.000 0.000 0.303 94 W C 2.273 179.047 176.519 0.425 0.000 1.208 94 W CA 1.653 59.205 57.345 0.345 0.000 1.274 94 W CB -0.837 28.753 29.460 0.216 0.000 1.138 94 W HN 0.267 nan 8.180 nan 0.000 0.515 95 L N 1.334 122.934 121.223 0.629 0.000 2.012 95 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 95 L C 2.317 179.582 176.870 0.659 0.000 1.073 95 L CA 2.268 57.447 54.840 0.565 0.000 0.748 95 L CB -1.008 41.362 42.059 0.519 0.000 0.891 95 L HN -0.167 nan 8.230 nan 0.000 0.431 96 E N 0.086 120.667 120.200 0.636 0.000 2.110 96 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 96 E C 2.236 179.156 176.600 0.533 0.000 0.988 96 E CA 1.246 57.992 56.400 0.577 0.000 0.804 96 E CB -0.591 29.383 29.700 0.456 0.000 0.745 96 E HN 0.648 nan 8.360 nan 0.000 0.458 97 A N 1.149 124.337 122.820 0.614 0.000 1.940 97 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 97 A C 2.201 180.169 177.584 0.640 0.000 1.176 97 A CA 2.024 54.508 52.037 0.746 0.000 0.631 97 A CB -0.398 19.086 19.000 0.807 0.000 0.814 97 A HN 0.218 nan 8.150 nan 0.000 0.446 98 M N -2.132 117.742 119.600 0.457 0.000 2.200 98 M HA -0.009 4.471 4.480 -0.000 0.000 0.265 98 M C 1.888 178.043 176.300 -0.242 0.000 1.066 98 M CA 1.479 56.802 55.300 0.038 0.000 1.127 98 M CB -0.727 31.771 32.600 -0.171 0.000 1.379 98 M HN 0.474 nan 8.290 nan 0.000 0.420 99 Y N 0.218 120.491 120.300 -0.045 0.000 2.165 99 Y HA -0.053 4.496 4.550 -0.000 0.000 0.286 99 Y C 2.095 177.733 175.900 -0.436 0.000 1.155 99 Y CA 2.080 60.081 58.100 -0.166 0.000 1.164 99 Y CB -0.934 37.347 38.460 -0.298 0.000 0.978 99 Y HN 0.287 nan 8.280 nan 0.000 0.513 100 G N -0.048 108.405 108.800 -0.579 0.000 2.422 100 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.218 100 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.218 100 G C 1.606 175.748 174.900 -1.263 0.000 1.146 100 G CA 0.919 45.083 45.100 -1.560 0.000 0.769 100 G HN 0.593 nan 8.290 nan 0.000 0.547 101 N N 0.111 118.434 118.700 -0.628 0.000 2.084 101 N HA -0.038 4.702 4.740 -0.000 0.000 0.190 101 N C 2.011 177.189 175.510 -0.553 0.000 1.030 101 N CA 0.728 53.504 53.050 -0.458 0.000 0.849 101 N CB -0.180 37.733 38.487 -0.955 0.000 1.012 101 N HN 0.329 nan 8.380 nan 0.000 0.423 102 L N -0.679 120.170 121.223 -0.624 0.000 2.591 102 L HA 0.082 4.422 4.340 -0.000 0.000 0.228 102 L C 1.467 178.063 176.870 -0.457 0.000 1.133 102 L CA 0.416 54.943 54.840 -0.523 0.000 0.880 102 L CB 0.388 42.128 42.059 -0.532 0.000 1.033 102 L HN 0.211 nan 8.230 nan 0.000 0.450 103 T N -1.899 112.310 114.554 -0.575 0.000 3.010 103 T HA 0.193 4.543 4.350 -0.000 0.000 0.253 103 T C 1.268 175.698 174.700 -0.450 0.000 0.939 103 T CA 0.704 62.449 62.100 -0.592 0.000 0.910 103 T CB 0.697 68.908 68.868 -1.095 0.000 1.226 103 T HN 0.379 nan 8.240 nan 0.000 0.508 104 G N 1.271 109.783 108.800 -0.480 0.000 2.184 104 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 104 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 104 G C 0.082 174.780 174.900 -0.336 0.000 0.975 104 G CA 0.593 45.521 45.100 -0.287 0.000 0.642 104 G HN 0.966 nan 8.290 nan 0.000 0.536 105 N N -0.579 117.823 118.700 -0.496 0.000 2.462 105 N HA 0.502 5.242 4.740 -0.000 0.000 0.242 105 N C 0.374 175.716 175.510 -0.280 0.000 1.010 105 N CA -0.002 52.896 53.050 -0.253 0.000 0.939 105 N CB 0.059 38.487 38.487 -0.099 0.000 1.127 105 N HN 0.460 nan 8.380 nan 0.000 0.509 106 W N 0.983 122.352 121.300 0.114 0.000 3.239 106 W HA 0.100 4.760 4.660 -0.000 0.000 0.348 106 W C 2.202 178.819 176.519 0.164 0.000 1.183 106 W CA 0.364 57.797 57.345 0.146 0.000 1.819 106 W CB 0.603 30.128 29.460 0.108 0.000 1.091 106 W HN 0.772 nan 8.180 nan 0.000 0.629 107 S N -0.687 115.200 115.700 0.311 0.000 2.402 107 S HA -0.082 4.388 4.470 -0.000 0.000 0.229 107 S C 2.081 176.834 174.600 0.255 0.000 1.021 107 S CA 1.389 59.741 58.200 0.253 0.000 0.974 107 S CB -0.843 62.471 63.200 0.191 0.000 0.800 107 S HN 0.234 nan 8.310 nan 0.000 0.484 108 G N 1.395 110.365 108.800 0.284 0.000 2.422 108 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 108 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 108 G C 1.415 176.478 174.900 0.272 0.000 1.146 108 G CA 0.980 46.249 45.100 0.281 0.000 0.769 108 G HN 0.484 nan 8.290 nan 0.000 0.547 109 V N 0.691 120.817 119.914 0.353 0.000 2.343 109 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 109 V C 2.679 178.951 176.094 0.296 0.000 1.051 109 V CA 2.255 64.772 62.300 0.360 0.000 1.036 109 V CB -0.499 31.608 31.823 0.473 0.000 0.654 109 V HN 0.478 nan 8.190 nan 0.000 0.451 110 E N -0.236 120.120 120.200 0.260 0.000 2.077 110 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 110 E C 2.303 179.044 176.600 0.234 0.000 0.989 110 E CA 1.783 58.317 56.400 0.223 0.000 0.800 110 E CB -0.272 29.532 29.700 0.173 0.000 0.746 110 E HN 0.588 nan 8.360 nan 0.000 0.452 111 T N 0.970 115.647 114.554 0.205 0.000 2.701 111 T HA -0.154 4.196 4.350 -0.000 0.000 0.263 111 T C 2.034 176.843 174.700 0.181 0.000 1.040 111 T CA 1.228 63.445 62.100 0.194 0.000 1.147 111 T CB -0.311 68.671 68.868 0.190 0.000 0.865 111 T HN 0.252 nan 8.240 nan 0.000 0.426 112 A N 1.451 124.278 122.820 0.013 0.000 1.873 112 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 112 A C 2.190 179.811 177.584 0.063 0.000 1.193 112 A CA 1.590 53.411 52.037 -0.361 0.000 0.629 112 A CB -1.209 17.299 19.000 -0.820 0.000 0.826 112 A HN 0.704 nan 8.150 nan 0.000 0.447 113 W N 0.733 122.058 121.300 0.041 0.000 2.363 113 W HA -0.151 4.509 4.660 -0.000 0.000 0.296 113 W C 2.194 178.773 176.519 0.099 0.000 1.212 113 W CA 2.097 59.496 57.345 0.089 0.000 1.260 113 W CB -0.153 29.362 29.460 0.092 0.000 1.131 113 W HN 0.487 nan 8.180 nan 0.000 0.530 114 K N 0.086 120.668 120.400 0.304 0.000 2.097 114 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 114 K C 1.795 178.506 176.600 0.186 0.000 1.050 114 K CA 1.493 57.914 56.287 0.225 0.000 0.938 114 K CB -0.315 32.306 32.500 0.201 0.000 0.718 114 K HN -0.076 nan 8.250 nan 0.000 0.442 115 V N 1.881 121.965 119.914 0.284 0.000 2.427 115 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 115 V C 2.419 178.716 176.094 0.338 0.000 1.051 115 V CA 1.928 64.506 62.300 0.463 0.000 1.048 115 V CB -0.413 31.776 31.823 0.610 0.000 0.666 115 V HN 0.487 nan 8.190 nan 0.000 0.456 116 M N -0.076 119.538 119.600 0.024 0.000 2.080 116 M HA -0.260 4.220 4.480 -0.000 0.000 0.260 116 M C 2.228 178.241 176.300 -0.477 0.000 1.068 116 M CA 2.327 57.240 55.300 -0.644 0.000 1.109 116 M CB -0.211 31.938 32.600 -0.752 0.000 1.342 116 M HN 0.386 nan 8.290 nan 0.000 0.405 117 E N -0.168 119.865 120.200 -0.279 0.000 2.150 117 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 117 E C 1.230 177.722 176.600 -0.179 0.000 0.985 117 E CA 1.486 57.783 56.400 -0.172 0.000 0.814 117 E CB 0.108 29.838 29.700 0.050 0.000 0.752 117 E HN 0.534 nan 8.360 nan 0.000 0.466 118 D N -1.315 118.961 120.400 -0.208 0.000 2.224 118 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 118 D C 0.828 176.660 176.300 -0.780 0.000 0.965 118 D CA 0.901 54.596 54.000 -0.507 0.000 0.852 118 D CB 0.028 40.473 40.800 -0.592 0.000 0.947 118 D HN 0.355 nan 8.370 nan 0.000 0.494 119 W N -0.791 120.446 121.300 -0.106 0.000 3.875 119 W HA 0.302 4.962 4.660 -0.000 0.000 0.221 119 W C 1.702 178.146 176.519 -0.126 0.000 0.947 119 W CA -0.498 56.778 57.345 -0.116 0.000 2.039 119 W CB -0.264 29.180 29.460 -0.026 0.000 0.954 119 W HN -0.269 nan 8.180 nan 0.000 0.792 120 I N 0.552 121.093 120.570 -0.050 0.000 3.419 120 I HA 0.209 4.379 4.170 -0.000 0.000 0.286 120 I C 0.329 176.456 176.117 0.017 0.000 1.268 120 I CA 0.512 61.819 61.300 0.011 0.000 1.414 120 I CB 0.061 37.847 38.000 -0.357 0.000 1.074 120 I HN -0.243 nan 8.210 nan 0.000 0.457 121 I N 3.332 123.802 120.570 -0.167 0.000 2.301 121 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 121 I C -2.088 173.906 176.117 -0.205 0.000 1.046 121 I CA -1.968 59.169 61.300 -0.271 0.000 1.282 121 I CB 0.446 38.160 38.000 -0.477 0.000 1.409 121 I HN -0.067 nan 8.210 nan 0.000 0.484 122 P HA -0.016 nan 4.420 nan 0.000 0.262 122 P C -0.982 176.162 177.300 -0.259 0.000 1.182 122 P CA -0.051 62.772 63.100 -0.462 0.000 0.761 122 P CB 0.262 31.315 31.700 -1.078 0.000 0.795 123 D N 0.461 120.757 120.400 -0.174 0.000 2.506 123 D HA 0.134 4.774 4.640 -0.000 0.000 0.272 123 D C 0.899 177.111 176.300 -0.147 0.000 1.214 123 D CA -0.587 53.334 54.000 -0.133 0.000 1.067 123 D CB -0.180 40.557 40.800 -0.106 0.000 1.117 123 D HN 0.089 nan 8.370 nan 0.000 0.578 124 S N -1.005 114.632 115.700 -0.105 0.000 2.374 124 S HA -0.252 4.218 4.470 -0.000 0.000 0.227 124 S C 1.953 176.465 174.600 -0.146 0.000 1.037 124 S CA 2.084 60.222 58.200 -0.104 0.000 1.024 124 S CB -1.094 62.072 63.200 -0.057 0.000 0.861 124 S HN 0.839 nan 8.310 nan 0.000 0.456 125 T N 0.487 114.963 114.554 -0.129 0.000 3.007 125 T HA 0.008 4.358 4.350 -0.000 0.000 0.270 125 T C 1.122 175.706 174.700 -0.193 0.000 1.107 125 T CA 0.948 62.970 62.100 -0.130 0.000 1.118 125 T CB -0.314 68.502 68.868 -0.086 0.000 0.889 125 T HN 0.536 nan 8.240 nan 0.000 0.506 126 E N 0.495 120.552 120.200 -0.239 0.000 2.481 126 E HA 0.139 4.489 4.350 -0.000 0.000 0.198 126 E C 0.526 176.719 176.600 -0.679 0.000 1.027 126 E CA -0.029 56.194 56.400 -0.295 0.000 0.900 126 E CB 0.328 29.957 29.700 -0.119 0.000 0.993 126 E HN 0.639 nan 8.360 nan 0.000 0.482 127 Q N 1.593 120.932 119.800 -0.770 0.000 2.470 127 Q HA 0.181 4.520 4.340 -0.000 0.000 0.389 127 Q C -2.507 173.068 176.000 -0.709 0.000 0.888 127 Q CA -1.660 53.365 55.803 -1.296 0.000 1.106 127 Q CB 0.915 29.319 28.738 -0.557 0.000 1.368 127 Q HN 0.069 nan 8.270 nan 0.000 0.403 128 P HA 0.027 nan 4.420 nan 0.000 0.271 128 P C 0.814 178.221 177.300 0.177 0.000 1.226 128 P CA 1.027 64.062 63.100 -0.108 0.000 0.765 128 P CB 1.140 32.789 31.700 -0.085 0.000 0.835 129 G N 3.318 112.207 108.800 0.147 0.000 2.175 129 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.244 129 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.244 129 G C 0.760 175.812 174.900 0.254 0.000 0.982 129 G CA 0.340 45.548 45.100 0.180 0.000 0.641 129 G HN 0.473 nan 8.290 nan 0.000 0.527 130 M N 2.233 122.025 119.600 0.320 0.000 2.267 130 M HA 0.006 4.486 4.480 -0.000 0.000 0.263 130 M C 2.501 178.980 176.300 0.298 0.000 1.063 130 M CA 2.565 58.075 55.300 0.351 0.000 1.090 130 M CB -0.314 32.497 32.600 0.352 0.000 1.392 130 M HN 0.865 nan 8.290 nan 0.000 0.422 131 S N -2.032 113.808 115.700 0.234 0.000 2.607 131 S HA 0.049 4.519 4.470 -0.000 0.000 0.224 131 S C 1.506 176.233 174.600 0.212 0.000 0.969 131 S CA 0.800 59.133 58.200 0.222 0.000 0.927 131 S CB -0.490 62.803 63.200 0.156 0.000 0.772 131 S HN 0.428 nan 8.310 nan 0.000 0.533 132 S N 0.402 116.236 115.700 0.223 0.000 2.556 132 S HA 0.265 4.735 4.470 -0.000 0.000 0.216 132 S C 0.019 174.750 174.600 0.218 0.000 0.970 132 S CA -0.680 57.641 58.200 0.202 0.000 0.912 132 S CB -0.340 62.984 63.200 0.208 0.000 0.790 132 S HN 0.725 nan 8.310 nan 0.000 0.504 133 Y N 3.831 124.194 120.300 0.106 0.000 2.717 133 Y HA 0.148 4.697 4.550 -0.000 0.000 0.330 133 Y C 0.185 176.075 175.900 -0.016 0.000 1.217 133 Y CA -0.283 57.829 58.100 0.020 0.000 1.506 133 Y CB 0.188 38.567 38.460 -0.136 0.000 1.268 133 Y HN 0.023 nan 8.280 nan 0.000 0.561 134 N N 8.105 126.411 118.700 -0.657 0.000 2.558 134 N HA 0.335 5.075 4.740 -0.000 0.000 0.242 134 N C -2.408 172.597 175.510 -0.841 0.000 0.979 134 N CA -2.628 50.112 53.050 -0.516 0.000 0.931 134 N CB 1.607 39.955 38.487 -0.231 0.000 1.122 134 N HN 0.301 nan 8.380 nan 0.000 0.508 135 P HA -0.103 nan 4.420 nan 0.000 0.219 135 P C 0.867 177.928 177.300 -0.398 0.000 1.146 135 P CA 0.949 63.731 63.100 -0.529 0.000 0.808 135 P CB 0.268 31.848 31.700 -0.201 0.000 0.779 136 N N -0.932 117.596 118.700 -0.286 0.000 2.494 136 N HA -0.042 4.698 4.740 -0.000 0.000 0.182 136 N C -0.043 175.367 175.510 -0.166 0.000 1.076 136 N CA 0.568 53.498 53.050 -0.200 0.000 0.908 136 N CB 0.124 38.532 38.487 -0.131 0.000 0.967 136 N HN -0.081 nan 8.380 nan 0.000 0.449 137 S N 0.498 116.080 115.700 -0.196 0.000 2.359 137 S HA 0.377 4.847 4.470 -0.000 0.000 0.148 137 S C -2.234 172.314 174.600 -0.087 0.000 1.610 137 S CA -1.174 56.968 58.200 -0.097 0.000 1.274 137 S CB 1.060 64.230 63.200 -0.049 0.000 1.380 137 S HN 0.106 nan 8.310 nan 0.000 0.380 138 P HA 0.289 nan 4.420 nan 0.000 0.222 138 P C 0.226 177.778 177.300 0.420 0.000 1.153 138 P CA 0.639 63.796 63.100 0.096 0.000 0.798 138 P CB 0.261 32.082 31.700 0.202 0.000 0.796 139 A N -2.689 120.345 122.820 0.358 0.000 2.544 139 A HA 0.536 4.856 4.320 -0.000 0.000 0.291 139 A C -1.183 176.497 177.584 0.160 0.000 1.055 139 A CA -0.486 51.766 52.037 0.359 0.000 0.651 139 A CB 0.117 19.444 19.000 0.544 0.000 1.296 139 A HN -0.179 nan 8.150 nan 0.000 0.431 140 T N 1.337 115.867 114.554 -0.040 0.000 2.767 140 T HA 0.476 4.826 4.350 -0.000 0.000 0.288 140 T C -0.306 174.157 174.700 -0.395 0.000 0.963 140 T CA 0.148 62.068 62.100 -0.301 0.000 1.019 140 T CB 0.366 68.814 68.868 -0.700 0.000 0.923 140 T HN 0.632 nan 8.240 nan 0.000 0.468 141 Y N 3.000 122.922 120.300 -0.630 0.000 2.702 141 Y HA 0.357 4.907 4.550 -0.000 0.000 0.336 141 Y C -0.008 175.553 175.900 -0.566 0.000 1.235 141 Y CA -0.316 57.197 58.100 -0.978 0.000 1.492 141 Y CB 0.076 38.140 38.460 -0.659 0.000 1.308 141 Y HN 0.776 nan 8.280 nan 0.000 0.589 142 A N 5.275 127.178 122.820 -1.528 0.000 2.539 142 A HA 0.432 4.752 4.320 -0.000 0.000 0.296 142 A C -1.189 175.692 177.584 -1.171 0.000 1.073 142 A CA -1.037 50.384 52.037 -1.027 0.000 0.700 142 A CB 0.946 19.714 19.000 -0.387 0.000 1.296 142 A HN 0.712 nan 8.150 nan 0.000 0.405 143 D N 1.314 121.313 120.400 -0.669 0.000 2.368 143 D HA 0.304 4.944 4.640 -0.000 0.000 0.240 143 D C 0.076 176.025 176.300 -0.585 0.000 1.169 143 D CA 0.570 54.239 54.000 -0.552 0.000 0.906 143 D CB 0.701 41.053 40.800 -0.747 0.000 1.187 143 D HN 0.543 nan 8.370 nan 0.000 0.435 144 E N 0.189 120.087 120.200 -0.503 0.000 2.222 144 E HA 0.479 4.829 4.350 -0.000 0.000 0.267 144 E C -0.794 175.455 176.600 -0.585 0.000 0.963 144 E CA -0.695 55.513 56.400 -0.321 0.000 0.837 144 E CB 1.550 31.225 29.700 -0.041 0.000 1.183 144 E HN 0.364 nan 8.360 nan 0.000 0.403 145 Y N -0.113 120.193 120.300 0.010 0.000 2.576 145 Y HA 0.143 4.692 4.550 -0.000 0.000 0.346 145 Y C 0.666 176.599 175.900 0.055 0.000 1.018 145 Y CA -0.814 57.217 58.100 -0.116 0.000 1.050 145 Y CB 1.648 39.916 38.460 -0.321 0.000 1.280 145 Y HN 0.460 nan 8.280 nan 0.000 0.474 146 E N 0.278 120.555 120.200 0.128 0.000 2.478 146 E HA -0.043 4.307 4.350 -0.000 0.000 0.198 146 E C -0.587 176.153 176.600 0.233 0.000 1.046 146 E CA 0.788 57.259 56.400 0.119 0.000 0.870 146 E CB 0.366 30.099 29.700 0.055 0.000 0.818 146 E HN 0.376 nan 8.360 nan 0.000 0.527 147 D N -2.041 118.602 120.400 0.404 0.000 2.886 147 D HA 0.077 4.716 4.640 -0.000 0.000 0.216 147 D C -2.327 174.193 176.300 0.366 0.000 1.256 147 D CA -1.909 52.287 54.000 0.327 0.000 0.844 147 D CB 1.887 42.842 40.800 0.259 0.000 1.669 147 D HN -0.312 nan 8.370 nan 0.000 0.513 148 P HA -0.142 nan 4.420 nan 0.000 0.218 148 P C 1.402 178.646 177.300 -0.094 0.000 1.146 148 P CA 1.184 64.396 63.100 0.187 0.000 0.813 148 P CB 0.109 31.885 31.700 0.127 0.000 0.778 149 S N -2.308 113.069 115.700 -0.538 0.000 2.465 149 S HA -0.207 4.263 4.470 -0.000 0.000 0.241 149 S C 1.669 175.818 174.600 -0.752 0.000 1.000 149 S CA 0.980 58.403 58.200 -1.295 0.000 0.964 149 S CB -1.671 60.934 63.200 -0.992 0.000 0.763 149 S HN 0.214 nan 8.310 nan 0.000 0.512 150 Y N 0.205 120.335 120.300 -0.283 0.000 2.544 150 Y HA 0.281 4.831 4.550 -0.000 0.000 0.286 150 Y C 0.500 176.160 175.900 -0.400 0.000 1.141 150 Y CA -0.237 57.603 58.100 -0.433 0.000 1.299 150 Y CB -0.168 37.868 38.460 -0.707 0.000 1.030 150 Y HN 0.239 nan 8.280 nan 0.000 0.543 151 Y N 1.693 122.011 120.300 0.030 0.000 2.335 151 Y HA 0.271 4.821 4.550 -0.000 0.000 0.323 151 Y C -1.906 174.064 175.900 0.116 0.000 1.224 151 Y CA -3.351 54.834 58.100 0.140 0.000 1.241 151 Y CB 0.110 38.705 38.460 0.224 0.000 1.235 151 Y HN -0.157 nan 8.280 nan 0.000 0.492 152 P HA 0.033 nan 4.420 nan 0.000 0.274 152 P C -0.660 176.747 177.300 0.178 0.000 1.231 152 P CA -0.366 62.900 63.100 0.277 0.000 0.790 152 P CB 1.428 33.237 31.700 0.182 0.000 0.951 153 S N 0.950 116.780 115.700 0.217 0.000 2.475 153 S HA 0.125 4.595 4.470 -0.000 0.000 0.281 153 S C -0.029 174.643 174.600 0.121 0.000 1.198 153 S CA -0.583 57.713 58.200 0.161 0.000 1.063 153 S CB -0.068 63.191 63.200 0.098 0.000 0.972 153 S HN 0.446 nan 8.310 nan 0.000 0.486 154 E N 4.497 124.760 120.200 0.104 0.000 2.324 154 E HA 0.180 4.530 4.350 -0.000 0.000 0.271 154 E C -0.399 176.190 176.600 -0.018 0.000 1.028 154 E CA -0.341 56.099 56.400 0.067 0.000 0.890 154 E CB 0.456 30.206 29.700 0.083 0.000 1.004 154 E HN 0.644 nan 8.360 nan 0.000 0.431 155 L N 4.875 126.058 121.223 -0.067 0.000 2.490 155 L HA 0.053 4.392 4.340 -0.000 0.000 0.274 155 L C 0.363 177.110 176.870 -0.204 0.000 1.201 155 L CA 0.647 55.332 54.840 -0.258 0.000 0.869 155 L CB 0.290 42.094 42.059 -0.424 0.000 1.123 155 L HN 0.466 nan 8.230 nan 0.000 0.484 156 K N 4.119 124.376 120.400 -0.240 0.000 2.423 156 K HA 0.215 4.535 4.320 -0.000 0.000 0.234 156 K C 0.181 176.709 176.600 -0.120 0.000 1.051 156 K CA -0.253 55.998 56.287 -0.060 0.000 1.021 156 K CB 0.724 33.279 32.500 0.091 0.000 1.474 156 K HN 0.376 nan 8.250 nan 0.000 0.474 157 F N 0.977 120.912 119.950 -0.025 0.000 2.206 157 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 157 F C 2.395 178.174 175.800 -0.037 0.000 1.090 157 F CA 2.032 60.007 58.000 -0.041 0.000 1.323 157 F CB 0.183 39.147 39.000 -0.059 0.000 1.028 157 F HN 0.649 nan 8.300 nan 0.000 0.492 158 D N -2.459 118.032 120.400 0.153 0.000 2.423 158 D HA 0.028 4.668 4.640 -0.000 0.000 0.212 158 D C 1.835 178.150 176.300 0.025 0.000 1.060 158 D CA 0.937 54.982 54.000 0.075 0.000 0.872 158 D CB -0.540 40.296 40.800 0.060 0.000 1.012 158 D HN 0.165 nan 8.370 nan 0.000 0.503 159 T N -0.583 113.980 114.554 0.016 0.000 3.044 159 T HA 0.343 4.693 4.350 -0.000 0.000 0.250 159 T C -0.076 174.584 174.700 -0.066 0.000 1.081 159 T CA 0.445 62.535 62.100 -0.016 0.000 1.040 159 T CB 0.033 68.900 68.868 -0.001 0.000 0.962 159 T HN 0.149 nan 8.240 nan 0.000 0.506 160 V N 1.962 121.826 119.914 -0.082 0.000 2.482 160 V HA 0.699 4.819 4.120 -0.000 0.000 0.295 160 V C 0.298 176.314 176.094 -0.131 0.000 1.026 160 V CA -1.284 60.913 62.300 -0.170 0.000 0.856 160 V CB 1.267 32.895 31.823 -0.325 0.000 1.001 160 V HN 0.373 nan 8.190 nan 0.000 0.424 161 R N 3.124 123.548 120.500 -0.126 0.000 2.490 161 R HA 0.821 5.160 4.340 -0.000 0.000 0.278 161 R C -0.610 175.638 176.300 -0.087 0.000 1.069 161 R CA -0.214 55.836 56.100 -0.084 0.000 1.080 161 R CB 1.180 31.439 30.300 -0.068 0.000 1.030 161 R HN 0.588 nan 8.270 nan 0.000 0.491 162 V N 1.391 121.289 119.914 -0.026 0.000 2.815 162 V HA 0.756 4.876 4.120 -0.000 0.000 0.314 162 V C 1.324 177.456 176.094 0.062 0.000 1.064 162 V CA -0.244 62.088 62.300 0.053 0.000 0.952 162 V CB 2.176 34.079 31.823 0.134 0.000 1.020 162 V HN 1.169 nan 8.190 nan 0.000 0.439 163 G N 1.637 110.521 108.800 0.139 0.000 2.516 163 G HA2 0.436 4.396 3.960 -0.000 0.000 0.276 163 G HA3 0.436 4.396 3.960 -0.000 0.000 0.276 163 G C -0.231 174.645 174.900 -0.041 0.000 1.390 163 G CA -0.245 44.908 45.100 0.089 0.000 1.050 163 G HN 0.654 nan 8.290 nan 0.000 0.519 164 S N -0.589 115.005 115.700 -0.178 0.000 2.532 164 S HA 0.391 4.861 4.470 -0.000 0.000 0.301 164 S C -1.092 173.050 174.600 -0.763 0.000 1.083 164 S CA -0.465 57.503 58.200 -0.388 0.000 1.025 164 S CB 1.827 64.889 63.200 -0.229 0.000 1.056 164 S HN 0.608 nan 8.310 nan 0.000 0.494 165 D N 2.517 122.370 120.400 -0.912 0.000 2.396 165 D HA 0.321 4.961 4.640 -0.000 0.000 0.225 165 D C -1.743 174.217 176.300 -0.568 0.000 1.121 165 D CA -2.089 51.265 54.000 -1.076 0.000 0.853 165 D CB 1.291 41.588 40.800 -0.839 0.000 1.043 165 D HN 0.135 nan 8.370 nan 0.000 0.500 166 P HA 0.048 nan 4.420 nan 0.000 0.255 166 P C 0.784 177.897 177.300 -0.313 0.000 1.248 166 P CA 0.004 62.846 63.100 -0.430 0.000 0.807 166 P CB 0.953 32.285 31.700 -0.612 0.000 1.150 167 V N -1.513 118.213 119.914 -0.314 0.000 3.484 167 V HA -0.005 4.115 4.120 -0.000 0.000 0.252 167 V C 2.360 178.421 176.094 -0.055 0.000 1.282 167 V CA 0.535 62.753 62.300 -0.137 0.000 1.104 167 V CB -0.534 31.206 31.823 -0.138 0.000 0.868 167 V HN 0.068 nan 8.190 nan 0.000 0.457 168 H N 1.382 120.382 119.070 -0.116 0.000 2.289 168 H HA -0.162 4.394 4.556 -0.000 0.000 0.296 168 H C 2.139 177.469 175.328 0.003 0.000 1.091 168 H CA 2.570 58.605 56.048 -0.020 0.000 1.274 168 H CB 0.162 30.000 29.762 0.126 0.000 1.364 168 H HN 0.328 nan 8.280 nan 0.000 0.490 169 N N -0.001 118.706 118.700 0.013 0.000 2.354 169 N HA -0.114 4.626 4.740 -0.000 0.000 0.179 169 N C 1.483 176.946 175.510 -0.079 0.000 1.021 169 N CA 1.127 54.157 53.050 -0.034 0.000 0.887 169 N CB -0.331 38.178 38.487 0.037 0.000 0.974 169 N HN 0.496 nan 8.380 nan 0.000 0.437 170 D N 0.746 121.107 120.400 -0.065 0.000 2.123 170 D HA -0.074 4.566 4.640 -0.000 0.000 0.196 170 D C 2.012 178.232 176.300 -0.132 0.000 0.992 170 D CA 0.866 54.823 54.000 -0.071 0.000 0.833 170 D CB 0.023 40.813 40.800 -0.018 0.000 0.954 170 D HN 0.156 nan 8.370 nan 0.000 0.455 171 L N -0.721 120.403 121.223 -0.166 0.000 2.095 171 L HA -0.073 4.267 4.340 -0.000 0.000 0.204 171 L C 2.553 179.344 176.870 -0.132 0.000 1.080 171 L CA 0.293 55.013 54.840 -0.200 0.000 0.759 171 L CB -0.256 41.572 42.059 -0.384 0.000 0.914 171 L HN -0.006 nan 8.230 nan 0.000 0.439 172 V N -0.608 119.189 119.914 -0.194 0.000 2.287 172 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 172 V C 2.739 178.782 176.094 -0.085 0.000 1.053 172 V CA 2.179 64.406 62.300 -0.121 0.000 1.027 172 V CB -0.475 31.243 31.823 -0.174 0.000 0.646 172 V HN 0.561 nan 8.190 nan 0.000 0.447 173 S N -0.230 115.398 115.700 -0.119 0.000 2.419 173 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 173 S C 1.897 176.382 174.600 -0.191 0.000 1.016 173 S CA 1.563 59.691 58.200 -0.119 0.000 0.974 173 S CB -0.150 62.989 63.200 -0.101 0.000 0.786 173 S HN 0.606 nan 8.310 nan 0.000 0.492 174 A N -0.647 121.973 122.820 -0.334 0.000 1.997 174 A HA 0.327 4.647 4.320 -0.000 0.000 0.212 174 A C 1.323 178.554 177.584 -0.588 0.000 1.178 174 A CA 0.569 52.238 52.037 -0.614 0.000 0.698 174 A CB -0.301 18.049 19.000 -1.084 0.000 0.842 174 A HN 0.669 nan 8.150 nan 0.000 0.458 175 Y N -1.201 119.082 120.300 -0.028 0.000 2.471 175 Y HA 0.450 4.999 4.550 -0.000 0.000 0.249 175 Y C 1.341 177.274 175.900 0.055 0.000 1.116 175 Y CA -0.243 57.883 58.100 0.044 0.000 1.240 175 Y CB 0.165 38.743 38.460 0.196 0.000 1.251 175 Y HN 0.504 nan 8.280 nan 0.000 0.527 176 G N 1.584 110.463 108.800 0.132 0.000 2.698 176 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.225 176 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.225 176 G C -2.029 172.943 174.900 0.120 0.000 1.345 176 G CA -0.374 44.787 45.100 0.101 0.000 0.871 176 G HN 0.006 nan 8.290 nan 0.000 0.540 177 P HA 0.053 nan 4.420 nan 0.000 0.236 177 P C 0.336 177.720 177.300 0.140 0.000 1.177 177 P CA 0.649 63.828 63.100 0.130 0.000 0.773 177 P CB 0.041 31.821 31.700 0.134 0.000 0.878 178 N N 0.363 119.122 118.700 0.100 0.000 2.489 178 N HA 0.260 5.000 4.740 -0.000 0.000 0.284 178 N C -0.061 175.374 175.510 -0.124 0.000 1.158 178 N CA -0.556 52.508 53.050 0.023 0.000 0.965 178 N CB 0.601 39.080 38.487 -0.014 0.000 1.195 178 N HN -0.081 nan 8.380 nan 0.000 0.506 179 M N 1.610 121.032 119.600 -0.297 0.000 2.146 179 M HA 0.117 4.597 4.480 -0.000 0.000 0.357 179 M C -1.112 174.698 176.300 -0.817 0.000 1.261 179 M CA -0.199 54.647 55.300 -0.756 0.000 1.106 179 M CB 0.097 32.030 32.600 -1.113 0.000 1.612 179 M HN 0.432 nan 8.290 nan 0.000 0.470 180 Y N 6.534 125.862 120.300 -1.620 0.000 2.931 180 Y HA 0.632 5.182 4.550 -0.000 0.000 0.330 180 Y C -1.701 173.841 175.900 -0.595 0.000 1.115 180 Y CA -0.370 57.161 58.100 -0.948 0.000 1.283 180 Y CB 0.189 38.120 38.460 -0.882 0.000 1.215 180 Y HN 0.642 nan 8.280 nan 0.000 0.534 181 L N 3.569 124.471 121.223 -0.536 0.000 2.409 181 L HA 0.528 4.868 4.340 -0.000 0.000 0.255 181 L C -0.818 175.942 176.870 -0.183 0.000 1.027 181 L CA -1.236 53.433 54.840 -0.285 0.000 0.834 181 L CB 2.608 44.546 42.059 -0.201 0.000 1.426 181 L HN 0.287 nan 8.230 nan 0.000 0.411 182 M N 0.970 120.518 119.600 -0.087 0.000 2.144 182 M HA 0.277 4.757 4.480 -0.000 0.000 0.356 182 M C -0.462 175.922 176.300 0.141 0.000 1.217 182 M CA -0.596 54.673 55.300 -0.051 0.000 1.087 182 M CB 0.998 33.543 32.600 -0.090 0.000 1.609 182 M HN 0.426 nan 8.290 nan 0.000 0.467 183 H N 3.814 122.896 119.070 0.019 0.000 2.871 183 H HA -0.061 4.495 4.556 -0.000 0.000 0.355 183 H C 0.565 176.030 175.328 0.228 0.000 1.092 183 H CA 0.531 56.631 56.048 0.086 0.000 1.420 183 H CB 0.659 30.317 29.762 -0.174 0.000 1.400 183 H HN 0.745 nan 8.280 nan 0.000 0.604 184 W N 5.046 126.038 121.300 -0.513 0.000 2.658 184 W HA 0.130 4.789 4.660 -0.000 0.000 0.263 184 W C -1.163 175.306 176.519 -0.083 0.000 1.274 184 W CA -0.159 57.066 57.345 -0.200 0.000 1.343 184 W CB 0.006 29.394 29.460 -0.121 0.000 1.106 184 W HN 0.358 nan 8.180 nan 0.000 0.615 185 L N 2.017 122.693 121.223 -0.911 0.000 2.476 185 L HA 0.507 4.847 4.340 -0.000 0.000 0.269 185 L C -0.912 175.883 176.870 -0.124 0.000 0.965 185 L CA -1.045 53.294 54.840 -0.834 0.000 0.845 185 L CB 1.938 42.972 42.059 -1.707 0.000 1.259 185 L HN 0.043 nan 8.230 nan 0.000 0.403 186 M N 3.701 123.301 119.600 -0.001 0.000 2.326 186 M HA 0.419 4.899 4.480 -0.000 0.000 0.292 186 M C -1.517 174.832 176.300 0.081 0.000 1.081 186 M CA -0.556 54.804 55.300 0.100 0.000 0.919 186 M CB 1.823 34.484 32.600 0.103 0.000 1.634 186 M HN 0.630 nan 8.290 nan 0.000 0.451 187 D N 4.375 124.844 120.400 0.114 0.000 2.435 187 D HA 0.173 4.813 4.640 -0.000 0.000 0.230 187 D C 0.893 177.268 176.300 0.126 0.000 1.215 187 D CA -0.064 54.046 54.000 0.183 0.000 0.947 187 D CB 0.739 41.692 40.800 0.254 0.000 1.048 187 D HN 0.507 nan 8.370 nan 0.000 0.512 188 V N 3.136 123.127 119.914 0.128 0.000 2.287 188 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 188 V C 1.192 177.314 176.094 0.045 0.000 1.053 188 V CA 1.687 64.013 62.300 0.044 0.000 1.027 188 V CB -0.148 31.721 31.823 0.078 0.000 0.646 188 V HN 0.559 nan 8.190 nan 0.000 0.447 189 D N -0.521 119.966 120.400 0.144 0.000 2.559 189 D HA 0.137 4.777 4.640 -0.000 0.000 0.234 189 D C 0.402 176.763 176.300 0.103 0.000 1.226 189 D CA -0.099 53.968 54.000 0.112 0.000 0.830 189 D CB -0.168 40.724 40.800 0.153 0.000 1.028 189 D HN 0.405 nan 8.370 nan 0.000 0.492 190 N N 0.241 119.001 118.700 0.100 0.000 2.738 190 N HA -0.237 4.503 4.740 -0.000 0.000 0.249 190 N C 0.474 175.982 175.510 -0.003 0.000 1.047 190 N CA 0.192 53.277 53.050 0.057 0.000 0.707 190 N CB -1.454 37.050 38.487 0.028 0.000 0.937 190 N HN 0.468 nan 8.380 nan 0.000 0.545 191 W N 0.010 121.184 121.300 -0.210 0.000 2.363 191 W HA -0.076 4.584 4.660 -0.000 0.000 0.296 191 W C 1.487 177.641 176.519 -0.609 0.000 1.212 191 W CA 1.547 58.612 57.345 -0.466 0.000 1.260 191 W CB -0.531 28.448 29.460 -0.801 0.000 1.131 191 W HN 0.436 nan 8.180 nan 0.000 0.530 192 Y N 0.033 120.054 120.300 -0.465 0.000 2.439 192 Y HA 0.110 4.659 4.550 -0.000 0.000 0.292 192 Y C 2.367 177.685 175.900 -0.970 0.000 1.130 192 Y CA 1.702 59.306 58.100 -0.827 0.000 1.254 192 Y CB -0.605 37.450 38.460 -0.674 0.000 1.000 192 Y HN 0.115 nan 8.280 nan 0.000 0.554 193 G N -1.444 107.043 108.800 -0.521 0.000 2.132 193 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.234 193 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.234 193 G C 0.658 175.288 174.900 -0.451 0.000 0.989 193 G CA 0.277 45.101 45.100 -0.460 0.000 0.676 193 G HN 0.326 nan 8.290 nan 0.000 0.522 194 F N 1.220 121.087 119.950 -0.138 0.000 2.365 194 F HA 0.280 4.807 4.527 -0.000 0.000 0.300 194 F C 2.200 178.097 175.800 0.162 0.000 1.090 194 F CA 0.848 58.837 58.000 -0.019 0.000 1.408 194 F CB -0.378 38.653 39.000 0.051 0.000 1.060 194 F HN 0.390 nan 8.300 nan 0.000 0.534 195 G N -1.141 107.801 108.800 0.237 0.000 2.557 195 G HA2 0.369 4.328 3.960 -0.000 0.000 0.302 195 G HA3 0.369 4.328 3.960 -0.000 0.000 0.302 195 G C -0.624 174.371 174.900 0.158 0.000 1.311 195 G CA -0.381 44.839 45.100 0.200 0.000 1.030 195 G HN -0.050 nan 8.290 nan 0.000 0.509 196 T N -0.960 113.672 114.554 0.130 0.000 2.889 196 T HA 0.493 4.842 4.350 -0.000 0.000 0.291 196 T C 1.353 176.094 174.700 0.069 0.000 0.995 196 T CA 1.446 63.607 62.100 0.101 0.000 1.092 196 T CB 0.213 69.136 68.868 0.092 0.000 0.954 196 T HN 1.828 nan 8.240 nan 0.000 0.506 197 G N 4.075 112.905 108.800 0.050 0.000 2.646 197 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.324 197 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.324 197 G C 0.860 175.774 174.900 0.023 0.000 1.195 197 G CA 0.905 46.024 45.100 0.032 0.000 0.976 197 G HN 0.814 nan 8.290 nan 0.000 0.546 198 T N 2.293 116.866 114.554 0.031 0.000 3.145 198 T HA 0.301 4.651 4.350 -0.000 0.000 0.281 198 T C 0.822 175.540 174.700 0.029 0.000 1.003 198 T CA -0.059 62.058 62.100 0.028 0.000 0.901 198 T CB 0.016 68.899 68.868 0.025 0.000 1.112 198 T HN 0.512 nan 8.240 nan 0.000 0.535 199 R N 1.866 122.393 120.500 0.045 0.000 2.442 199 R HA 0.535 4.875 4.340 -0.000 0.000 0.291 199 R C 0.444 176.767 176.300 0.038 0.000 1.069 199 R CA -0.315 55.818 56.100 0.056 0.000 1.022 199 R CB 0.441 30.796 30.300 0.092 0.000 0.976 199 R HN 0.226 nan 8.270 nan 0.000 0.443 200 A N 3.070 125.883 122.820 -0.011 0.000 2.573 200 A HA 0.028 4.348 4.320 -0.000 0.000 0.250 200 A C -0.087 177.477 177.584 -0.033 0.000 1.049 200 A CA 0.620 52.626 52.037 -0.052 0.000 0.767 200 A CB 0.016 18.915 19.000 -0.167 0.000 0.965 200 A HN 0.644 nan 8.150 nan 0.000 0.514 201 T N 3.536 118.071 114.554 -0.032 0.000 2.881 201 T HA 0.434 4.784 4.350 -0.000 0.000 0.291 201 T C -0.356 174.356 174.700 0.020 0.000 0.990 201 T CA -0.170 61.934 62.100 0.006 0.000 0.976 201 T CB 0.323 69.270 68.868 0.131 0.000 0.970 201 T HN 0.387 nan 8.240 nan 0.000 0.438 202 F N 4.535 124.554 119.950 0.115 0.000 2.571 202 F HA 0.289 4.816 4.527 -0.000 0.000 0.384 202 F C 0.978 176.780 175.800 0.002 0.000 1.058 202 F CA -0.396 57.648 58.000 0.072 0.000 1.200 202 F CB 0.108 39.120 39.000 0.020 0.000 1.077 202 F HN 0.444 nan 8.300 nan 0.000 0.558 203 I N 0.454 121.144 120.570 0.200 0.000 3.002 203 I HA 0.692 4.862 4.170 -0.000 0.000 0.310 203 I C -1.014 175.072 176.117 -0.052 0.000 1.087 203 I CA -1.066 60.212 61.300 -0.037 0.000 1.017 203 I CB 2.370 40.327 38.000 -0.072 0.000 1.226 203 I HN 0.408 nan 8.210 nan 0.000 0.443 204 N N 0.124 118.594 118.700 -0.383 0.000 2.357 204 N HA 0.624 5.364 4.740 -0.000 0.000 0.284 204 N C -0.284 174.865 175.510 -0.602 0.000 1.236 204 N CA 0.085 52.955 53.050 -0.299 0.000 0.774 204 N CB 2.437 40.876 38.487 -0.080 0.000 1.534 204 N HN 0.920 nan 8.380 nan 0.000 0.478 205 T N -1.946 112.515 114.554 -0.155 0.000 3.393 205 T HA 0.365 4.715 4.350 -0.000 0.000 0.231 205 T C 0.359 175.001 174.700 -0.097 0.000 0.983 205 T CA -0.001 61.971 62.100 -0.213 0.000 1.272 205 T CB -0.658 67.995 68.868 -0.359 0.000 1.214 205 T HN 0.211 nan 8.240 nan 0.000 0.368 206 F N 2.994 123.022 119.950 0.130 0.000 2.578 206 F HA 0.384 4.911 4.527 -0.000 0.000 0.381 206 F C 1.679 177.440 175.800 -0.065 0.000 1.069 206 F CA 0.166 58.194 58.000 0.047 0.000 1.231 206 F CB 0.354 39.414 39.000 0.100 0.000 1.086 206 F HN 0.317 nan 8.300 nan 0.000 0.564 207 Q N 1.995 121.773 119.800 -0.037 0.000 1.921 207 Q HA 0.124 4.464 4.340 -0.000 0.000 0.192 207 Q C 0.276 176.071 176.000 -0.342 0.000 0.755 207 Q CA 0.042 55.675 55.803 -0.283 0.000 0.904 207 Q CB 0.717 28.903 28.738 -0.920 0.000 1.222 207 Q HN 0.675 nan 8.270 nan 0.000 0.417 208 R N 0.595 120.880 120.500 -0.359 0.000 2.903 208 R HA 0.424 4.763 4.340 -0.000 0.000 0.363 208 R C 0.369 176.345 176.300 -0.539 0.000 1.161 208 R CA 0.365 55.857 56.100 -1.013 0.000 1.109 208 R CB 1.195 31.129 30.300 -0.610 0.000 1.399 208 R HN 0.237 nan 8.270 nan 0.000 0.587 209 G N 1.891 110.595 108.800 -0.160 0.000 2.693 209 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.226 209 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.226 209 G C 0.686 175.656 174.900 0.116 0.000 1.354 209 G CA 0.129 45.289 45.100 0.100 0.000 0.873 209 G HN 0.485 nan 8.290 nan 0.000 0.562 210 E N -0.532 119.705 120.200 0.061 0.000 2.204 210 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 210 E C 1.571 178.235 176.600 0.106 0.000 0.989 210 E CA 1.526 57.940 56.400 0.022 0.000 0.824 210 E CB -0.049 29.573 29.700 -0.130 0.000 0.756 210 E HN 0.471 nan 8.360 nan 0.000 0.477 211 Q N 0.776 120.646 119.800 0.116 0.000 2.246 211 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 211 Q C -0.270 175.812 176.000 0.137 0.000 0.883 211 Q CA 0.098 55.969 55.803 0.113 0.000 0.952 211 Q CB 0.650 29.453 28.738 0.108 0.000 1.078 211 Q HN 0.396 nan 8.270 nan 0.000 0.493 212 E N 2.096 122.392 120.200 0.160 0.000 1.893 212 E HA 0.110 4.460 4.350 -0.000 0.000 0.269 212 E C -0.317 176.410 176.600 0.213 0.000 1.129 212 E CA -0.216 56.295 56.400 0.185 0.000 0.904 212 E CB 0.424 30.234 29.700 0.183 0.000 1.077 212 E HN 0.119 nan 8.360 nan 0.000 0.407 213 S N 2.490 118.307 115.700 0.194 0.000 2.596 213 S HA 0.012 4.482 4.470 -0.000 0.000 0.260 213 S C 1.324 176.080 174.600 0.261 0.000 1.336 213 S CA -0.177 58.150 58.200 0.210 0.000 0.993 213 S CB 1.263 64.624 63.200 0.269 0.000 0.923 213 S HN 0.470 nan 8.310 nan 0.000 0.567 214 T N 0.603 115.271 114.554 0.190 0.000 2.721 214 T HA -0.170 4.179 4.350 -0.000 0.000 0.268 214 T C 1.001 175.606 174.700 -0.159 0.000 1.038 214 T CA 2.074 64.123 62.100 -0.086 0.000 1.145 214 T CB -0.593 68.096 68.868 -0.298 0.000 0.858 214 T HN 0.775 nan 8.240 nan 0.000 0.459 215 W N 1.508 122.845 121.300 0.061 0.000 2.699 215 W HA 0.119 4.779 4.660 0.000 0.000 0.249 215 W C 1.978 178.631 176.519 0.223 0.000 1.280 215 W CA 0.086 57.475 57.345 0.074 0.000 1.345 215 W CB -0.086 29.303 29.460 -0.119 0.000 1.128 215 W HN 0.341 nan 8.180 nan 0.000 0.642 216 E N -0.797 119.585 120.200 0.303 0.000 2.562 216 E HA 0.019 4.369 4.350 -0.000 0.000 0.214 216 E C 1.035 177.726 176.600 0.152 0.000 0.979 216 E CA 0.052 56.594 56.400 0.237 0.000 1.002 216 E CB 0.337 30.169 29.700 0.219 0.000 1.048 216 E HN 0.007 nan 8.360 nan 0.000 0.488 217 T N -1.279 113.313 114.554 0.064 0.000 2.788 217 T HA 0.446 4.796 4.350 -0.000 0.000 0.280 217 T C 0.324 175.050 174.700 0.042 0.000 0.984 217 T CA -0.455 61.643 62.100 -0.003 0.000 0.972 217 T CB 1.144 69.877 68.868 -0.225 0.000 1.039 217 T HN -0.053 nan 8.240 nan 0.000 0.530 218 I N 2.113 122.745 120.570 0.104 0.000 2.466 218 I HA 0.316 4.486 4.170 -0.000 0.000 0.279 218 I C -2.560 173.641 176.117 0.140 0.000 1.033 218 I CA -2.668 58.708 61.300 0.127 0.000 1.123 218 I CB 2.075 40.183 38.000 0.181 0.000 1.237 218 I HN 0.437 nan 8.210 nan 0.000 0.460 219 P HA 0.098 nan 4.420 nan 0.000 0.268 219 P C -1.127 175.900 177.300 -0.455 0.000 1.205 219 P CA 0.445 63.329 63.100 -0.361 0.000 0.771 219 P CB 0.391 31.595 31.700 -0.827 0.000 0.858 220 H N 0.503 119.118 119.070 -0.757 0.000 3.037 220 H HA 0.420 4.976 4.556 -0.000 0.000 0.355 220 H C -3.228 171.462 175.328 -1.063 0.000 1.263 220 H CA -2.817 52.377 56.048 -1.422 0.000 1.129 220 H CB 0.852 29.921 29.762 -1.155 0.000 1.861 220 H HN 0.124 nan 8.280 nan 0.000 0.546 221 P HA 0.104 nan 4.420 nan 0.000 0.276 221 P C 0.458 177.634 177.300 -0.206 0.000 1.230 221 P CA -0.192 62.597 63.100 -0.520 0.000 0.776 221 P CB 1.319 32.825 31.700 -0.323 0.000 0.888 222 S N 2.170 117.787 115.700 -0.139 0.000 2.382 222 S HA -0.045 4.425 4.470 -0.000 0.000 0.228 222 S C 1.185 175.699 174.600 -0.144 0.000 1.027 222 S CA 0.935 59.021 58.200 -0.190 0.000 0.991 222 S CB -0.457 62.539 63.200 -0.340 0.000 0.823 222 S HN 0.485 nan 8.310 nan 0.000 0.469 223 I N 2.435 122.989 120.570 -0.025 0.000 2.282 223 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 223 I C -0.218 175.937 176.117 0.064 0.000 1.090 223 I CA -0.365 60.958 61.300 0.039 0.000 1.231 223 I CB 0.780 38.836 38.000 0.093 0.000 1.434 223 I HN -0.008 nan 8.210 nan 0.000 0.487 224 E N 5.777 126.018 120.200 0.068 0.000 2.052 224 E HA 0.118 4.467 4.350 -0.000 0.000 0.283 224 E C 0.036 176.619 176.600 -0.030 0.000 1.071 224 E CA 0.283 56.750 56.400 0.112 0.000 0.851 224 E CB 0.555 30.376 29.700 0.202 0.000 1.066 224 E HN 0.474 nan 8.360 nan 0.000 0.396 225 E N 3.897 124.099 120.200 0.004 0.000 2.603 225 E HA 0.127 4.476 4.350 -0.000 0.000 0.211 225 E C -0.523 176.054 176.600 -0.038 0.000 0.995 225 E CA -0.143 56.179 56.400 -0.130 0.000 0.990 225 E CB 0.135 29.821 29.700 -0.024 0.000 1.036 225 E HN 0.573 nan 8.360 nan 0.000 0.475 226 F N -1.761 118.240 119.950 0.086 0.000 2.840 226 F HA -0.323 4.204 4.527 -0.000 0.000 0.310 226 F C 1.766 177.541 175.800 -0.042 0.000 0.688 226 F CA 1.075 59.095 58.000 0.034 0.000 1.286 226 F CB -2.165 36.847 39.000 0.019 0.000 1.612 226 F HN 0.222 nan 8.300 nan 0.000 0.335 227 K N -0.690 119.755 120.400 0.074 0.000 2.148 227 K HA 0.094 4.414 4.320 -0.000 0.000 0.204 227 K C 0.664 176.967 176.600 -0.494 0.000 1.050 227 K CA 1.988 58.111 56.287 -0.274 0.000 0.942 227 K CB -0.372 31.867 32.500 -0.434 0.000 0.724 227 K HN 0.457 nan 8.250 nan 0.000 0.446 228 Y N -2.569 117.880 120.300 0.248 0.000 2.773 228 Y HA 0.482 5.032 4.550 -0.000 0.000 0.323 228 Y C 1.632 177.531 175.900 -0.003 0.000 1.183 228 Y CA -0.745 57.494 58.100 0.232 0.000 1.144 228 Y CB 1.560 40.326 38.460 0.510 0.000 1.340 228 Y HN 0.437 nan 8.280 nan 0.000 0.531 229 G N 0.051 108.836 108.800 -0.026 0.000 2.514 229 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.265 229 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.265 229 G C 0.254 174.895 174.900 -0.432 0.000 1.150 229 G CA -0.229 44.476 45.100 -0.658 0.000 0.959 229 G HN 1.256 nan 8.290 nan 0.000 0.556 230 G N -0.695 107.775 108.800 -0.550 0.000 2.702 230 G HA2 0.666 4.626 3.960 -0.000 0.000 0.254 230 G HA3 0.666 4.626 3.960 -0.000 0.000 0.254 230 G C -0.965 173.638 174.900 -0.496 0.000 1.380 230 G CA 0.377 45.049 45.100 -0.712 0.000 1.042 230 G HN 0.588 nan 8.290 nan 0.000 0.557 231 P HA -0.056 nan 4.420 nan 0.000 0.218 231 P C 0.709 177.634 177.300 -0.626 0.000 1.148 231 P CA 0.967 63.803 63.100 -0.439 0.000 0.822 231 P CB 0.212 31.681 31.700 -0.385 0.000 0.784 232 N N -0.699 117.580 118.700 -0.703 0.000 2.380 232 N HA 0.183 4.922 4.740 -0.000 0.000 0.255 232 N C 1.177 176.337 175.510 -0.584 0.000 1.158 232 N CA 0.695 53.120 53.050 -1.042 0.000 0.878 232 N CB 0.483 38.455 38.487 -0.859 0.000 1.138 232 N HN 0.096 nan 8.380 nan 0.000 0.509 233 G N 1.711 110.322 108.800 -0.315 0.000 2.591 233 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.298 233 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.298 233 G C 0.250 175.101 174.900 -0.083 0.000 1.195 233 G CA 0.312 45.443 45.100 0.051 0.000 0.989 233 G HN 0.317 nan 8.290 nan 0.000 0.551 234 F N 1.233 121.287 119.950 0.172 0.000 2.678 234 F HA 0.446 4.973 4.527 -0.000 0.000 0.305 234 F C 2.443 178.160 175.800 -0.139 0.000 1.090 234 F CA 0.160 58.178 58.000 0.030 0.000 1.272 234 F CB 0.099 39.114 39.000 0.025 0.000 1.060 234 F HN 0.220 nan 8.300 nan 0.000 0.576 235 L N 0.528 121.853 121.223 0.169 0.000 1.989 235 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 235 L C 1.842 178.722 176.870 0.015 0.000 1.071 235 L CA 1.739 56.690 54.840 0.185 0.000 0.749 235 L CB -0.596 41.647 42.059 0.306 0.000 0.890 235 L HN 0.193 nan 8.230 nan 0.000 0.431 236 D N -0.408 119.885 120.400 -0.179 0.000 2.324 236 D HA -0.063 4.577 4.640 -0.000 0.000 0.235 236 D C 1.833 178.010 176.300 -0.205 0.000 1.095 236 D CA 0.357 54.271 54.000 -0.145 0.000 0.871 236 D CB -0.297 40.303 40.800 -0.332 0.000 0.906 236 D HN 0.328 nan 8.370 nan 0.000 0.522 237 L N -1.223 119.668 121.223 -0.554 0.000 2.270 237 L HA 0.040 4.380 4.340 -0.000 0.000 0.210 237 L C 1.258 177.810 176.870 -0.529 0.000 1.104 237 L CA 0.685 54.973 54.840 -0.919 0.000 0.804 237 L CB -0.138 40.959 42.059 -1.604 0.000 0.937 237 L HN -0.020 nan 8.230 nan 0.000 0.450 238 F N -1.588 118.384 119.950 0.037 0.000 2.549 238 F HA 0.134 4.661 4.527 -0.000 0.000 0.275 238 F C 1.214 177.144 175.800 0.218 0.000 0.990 238 F CA -0.195 57.876 58.000 0.119 0.000 1.274 238 F CB -0.269 38.743 39.000 0.019 0.000 1.064 238 F HN -0.148 nan 8.300 nan 0.000 0.715 239 T N -1.066 113.695 114.554 0.344 0.000 2.886 239 T HA 0.412 4.762 4.350 -0.000 0.000 0.292 239 T C -0.876 173.994 174.700 0.284 0.000 1.012 239 T CA -0.871 61.387 62.100 0.264 0.000 0.982 239 T CB 2.448 71.421 68.868 0.176 0.000 1.018 239 T HN 0.056 nan 8.240 nan 0.000 0.451 240 K N 2.532 123.065 120.400 0.223 0.000 2.258 240 K HA 0.369 4.689 4.320 -0.000 0.000 0.284 240 K C -0.978 175.709 176.600 0.146 0.000 1.051 240 K CA -0.460 55.974 56.287 0.244 0.000 0.923 240 K CB 0.631 33.237 32.500 0.178 0.000 1.046 240 K HN 0.727 nan 8.250 nan 0.000 0.474 241 D N 2.694 123.113 120.400 0.031 0.000 2.493 241 D HA 0.287 4.927 4.640 -0.000 0.000 0.239 241 D C 0.660 176.790 176.300 -0.284 0.000 1.049 241 D CA -0.541 53.363 54.000 -0.160 0.000 1.008 241 D CB 1.531 42.120 40.800 -0.351 0.000 1.398 241 D HN 0.496 nan 8.370 nan 0.000 0.513 242 R N -0.176 120.190 120.500 -0.222 0.000 2.062 242 R HA 0.024 4.364 4.340 -0.000 0.000 0.231 242 R C 0.926 177.054 176.300 -0.287 0.000 1.136 242 R CA 1.198 57.162 56.100 -0.227 0.000 0.948 242 R CB -0.174 29.962 30.300 -0.273 0.000 0.845 242 R HN 0.485 nan 8.270 nan 0.000 0.430 243 S N -1.684 113.788 115.700 -0.380 0.000 2.709 243 S HA 0.509 4.979 4.470 -0.000 0.000 0.302 243 S C -1.177 173.104 174.600 -0.530 0.000 1.127 243 S CA -0.970 57.041 58.200 -0.315 0.000 0.905 243 S CB 1.299 64.420 63.200 -0.131 0.000 1.151 243 S HN 0.119 nan 8.310 nan 0.000 0.510 244 Y N -0.358 120.006 120.300 0.105 0.000 2.391 244 Y HA 0.743 5.293 4.550 -0.000 0.000 0.341 244 Y C 0.207 176.342 175.900 0.392 0.000 0.965 244 Y CA -0.638 57.594 58.100 0.220 0.000 1.067 244 Y CB 2.213 40.763 38.460 0.151 0.000 1.199 244 Y HN 1.100 nan 8.280 nan 0.000 0.450 245 A N 2.982 126.144 122.820 0.569 0.000 2.454 245 A HA 0.664 4.984 4.320 -0.000 0.000 0.302 245 A C -1.104 176.643 177.584 0.271 0.000 1.079 245 A CA -1.258 51.049 52.037 0.450 0.000 0.731 245 A CB 1.187 20.420 19.000 0.389 0.000 1.299 245 A HN 0.745 nan 8.150 nan 0.000 0.413 246 K N 1.175 121.496 120.400 -0.131 0.000 2.448 246 K HA 0.313 4.633 4.320 -0.000 0.000 0.278 246 K C -0.118 176.468 176.600 -0.024 0.000 1.009 246 K CA 0.499 56.574 56.287 -0.353 0.000 0.995 246 K CB 0.204 32.470 32.500 -0.390 0.000 0.917 246 K HN 0.799 nan 8.250 nan 0.000 0.481 247 Q N 2.467 122.256 119.800 -0.019 0.000 2.578 247 Q HA 0.400 4.740 4.340 -0.000 0.000 0.284 247 Q C -1.499 174.486 176.000 -0.025 0.000 0.960 247 Q CA -1.211 54.562 55.803 -0.050 0.000 0.809 247 Q CB 1.060 29.841 28.738 0.071 0.000 1.462 247 Q HN 0.683 nan 8.270 nan 0.000 0.392 248 W N 0.671 121.846 121.300 -0.208 0.000 2.706 248 W HA 0.853 5.513 4.660 -0.000 0.000 0.346 248 W C -1.125 175.116 176.519 -0.464 0.000 1.071 248 W CA -0.969 56.156 57.345 -0.366 0.000 1.206 248 W CB 1.647 30.848 29.460 -0.432 0.000 1.413 248 W HN 0.889 nan 8.180 nan 0.000 0.542 249 R N 2.424 122.592 120.500 -0.553 0.000 2.508 249 R HA 0.358 4.698 4.340 -0.000 0.000 0.283 249 R C -2.206 173.526 176.300 -0.946 0.000 1.120 249 R CA -0.401 55.342 56.100 -0.595 0.000 0.958 249 R CB 1.508 31.751 30.300 -0.096 0.000 1.215 249 R HN 0.567 nan 8.270 nan 0.000 0.427 250 Y N 0.789 120.683 120.300 -0.676 0.000 2.549 250 Y HA 0.564 5.114 4.550 -0.000 0.000 0.339 250 Y C 0.029 175.743 175.900 -0.309 0.000 1.053 250 Y CA -0.741 56.928 58.100 -0.717 0.000 1.105 250 Y CB 2.749 40.411 38.460 -1.330 0.000 1.258 250 Y HN 0.393 nan 8.280 nan 0.000 0.478 251 T N 2.620 117.430 114.554 0.426 0.000 2.921 251 T HA 0.288 4.638 4.350 -0.000 0.000 0.297 251 T C -0.906 174.060 174.700 0.443 0.000 1.013 251 T CA -1.138 61.190 62.100 0.380 0.000 0.990 251 T CB 1.044 70.067 68.868 0.259 0.000 1.023 251 T HN 0.691 nan 8.240 nan 0.000 0.447 252 N N 1.039 120.016 118.700 0.461 0.000 2.485 252 N HA 0.689 5.429 4.740 -0.000 0.000 0.280 252 N C -1.264 174.370 175.510 0.207 0.000 1.205 252 N CA -1.020 52.237 53.050 0.346 0.000 0.959 252 N CB 1.648 40.337 38.487 0.336 0.000 1.206 252 N HN 0.679 nan 8.380 nan 0.000 0.545 253 A N 0.946 123.836 122.820 0.117 0.000 2.545 253 A HA 0.448 4.768 4.320 -0.000 0.000 0.300 253 A C -1.922 175.582 177.584 -0.133 0.000 1.252 253 A CA -1.293 50.716 52.037 -0.046 0.000 0.753 253 A CB 1.219 20.158 19.000 -0.101 0.000 1.144 253 A HN 0.668 nan 8.150 nan 0.000 0.457 254 P HA -0.151 nan 4.420 nan 0.000 0.225 254 P C 0.657 177.846 177.300 -0.185 0.000 1.148 254 P CA 1.289 64.353 63.100 -0.060 0.000 0.779 254 P CB 0.140 31.870 31.700 0.052 0.000 0.780 255 D N 0.480 120.591 120.400 -0.481 0.000 2.263 255 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 255 D C 1.741 177.856 176.300 -0.308 0.000 0.971 255 D CA 1.197 54.921 54.000 -0.461 0.000 0.867 255 D CB -0.780 39.565 40.800 -0.757 0.000 0.929 255 D HN 0.135 nan 8.370 nan 0.000 0.492 256 A N 1.059 123.738 122.820 -0.235 0.000 1.854 256 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 256 A C 2.184 179.717 177.584 -0.084 0.000 1.192 256 A CA 1.522 53.486 52.037 -0.123 0.000 0.611 256 A CB -0.633 18.359 19.000 -0.014 0.000 0.832 256 A HN 0.132 nan 8.150 nan 0.000 0.442 257 E N -0.080 120.091 120.200 -0.048 0.000 2.097 257 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 257 E C 2.066 178.662 176.600 -0.007 0.000 1.000 257 E CA 1.355 57.755 56.400 0.001 0.000 0.804 257 E CB -0.648 29.080 29.700 0.047 0.000 0.740 257 E HN 0.568 nan 8.360 nan 0.000 0.454 258 G N 0.490 109.259 108.800 -0.050 0.000 2.446 258 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.217 258 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.217 258 G C 1.588 176.411 174.900 -0.128 0.000 1.168 258 G CA 0.975 46.029 45.100 -0.077 0.000 0.771 258 G HN 0.158 nan 8.290 nan 0.000 0.551 259 R N 0.427 120.806 120.500 -0.202 0.000 2.075 259 R HA 0.054 4.394 4.340 -0.000 0.000 0.232 259 R C 2.922 179.077 176.300 -0.243 0.000 1.126 259 R CA 1.339 57.231 56.100 -0.347 0.000 0.963 259 R CB -0.346 29.666 30.300 -0.480 0.000 0.858 259 R HN 0.306 nan 8.270 nan 0.000 0.435 260 A N 0.936 123.719 122.820 -0.061 0.000 1.902 260 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 260 A C 2.105 179.835 177.584 0.244 0.000 1.181 260 A CA 1.407 53.529 52.037 0.142 0.000 0.623 260 A CB -0.456 18.635 19.000 0.152 0.000 0.818 260 A HN 0.335 nan 8.150 nan 0.000 0.443 261 I N -0.585 120.074 120.570 0.148 0.000 2.252 261 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 261 I C 2.748 178.832 176.117 -0.055 0.000 1.102 261 I CA 1.636 62.979 61.300 0.072 0.000 1.385 261 I CB -0.375 37.605 38.000 -0.033 0.000 1.064 261 I HN 0.541 nan 8.210 nan 0.000 0.414 262 Q N 1.456 121.218 119.800 -0.063 0.000 2.045 262 Q HA -0.301 4.039 4.340 -0.000 0.000 0.206 262 Q C 2.343 178.431 176.000 0.148 0.000 0.991 262 Q CA 2.440 58.273 55.803 0.051 0.000 0.851 262 Q CB -0.197 28.521 28.738 -0.034 0.000 0.911 262 Q HN 0.540 nan 8.270 nan 0.000 0.418 263 A N 0.105 122.930 122.820 0.007 0.000 1.883 263 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 263 A C 2.233 180.021 177.584 0.340 0.000 1.186 263 A CA 1.852 54.013 52.037 0.206 0.000 0.624 263 A CB -0.896 18.232 19.000 0.214 0.000 0.822 263 A HN 0.343 nan 8.150 nan 0.000 0.444 264 V N -1.319 118.750 119.914 0.258 0.000 2.515 264 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 264 V C 2.301 178.513 176.094 0.198 0.000 1.058 264 V CA 1.886 64.326 62.300 0.234 0.000 1.064 264 V CB -1.123 30.809 31.823 0.183 0.000 0.675 264 V HN 0.726 nan 8.190 nan 0.000 0.461 265 Y N -0.084 120.129 120.300 -0.144 0.000 2.128 265 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 265 Y C 2.132 177.803 175.900 -0.382 0.000 1.154 265 Y CA 1.840 59.681 58.100 -0.432 0.000 1.149 265 Y CB -0.349 37.649 38.460 -0.770 0.000 0.976 265 Y HN 0.287 nan 8.280 nan 0.000 0.505 266 W N 0.024 121.245 121.300 -0.132 0.000 2.381 266 W HA -0.072 4.587 4.660 -0.000 0.000 0.301 266 W C 2.742 178.938 176.519 -0.538 0.000 1.205 266 W CA 1.520 58.454 57.345 -0.686 0.000 1.285 266 W CB -0.836 28.066 29.460 -0.930 0.000 1.133 266 W HN 0.141 nan 8.180 nan 0.000 0.521 267 A N 0.493 123.410 122.820 0.161 0.000 1.917 267 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 267 A C 1.960 179.390 177.584 -0.257 0.000 1.182 267 A CA 2.116 54.298 52.037 0.241 0.000 0.633 267 A CB -1.209 17.989 19.000 0.329 0.000 0.819 267 A HN 0.491 nan 8.150 nan 0.000 0.448 268 N N -0.565 117.990 118.700 -0.242 0.000 2.106 268 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 268 N C 1.934 177.242 175.510 -0.337 0.000 1.029 268 N CA 1.602 54.464 53.050 -0.314 0.000 0.848 268 N CB -0.210 38.161 38.487 -0.193 0.000 1.007 268 N HN 0.573 nan 8.380 nan 0.000 0.423 269 K N -0.221 119.901 120.400 -0.463 0.000 2.057 269 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 269 K C 1.898 178.465 176.600 -0.055 0.000 1.049 269 K CA 1.065 57.115 56.287 -0.396 0.000 0.931 269 K CB -0.108 31.987 32.500 -0.674 0.000 0.714 269 K HN 0.273 nan 8.250 nan 0.000 0.440 270 W N 0.459 121.790 121.300 0.052 0.000 2.409 270 W HA 0.050 4.709 4.660 -0.000 0.000 0.299 270 W C 2.343 178.937 176.519 0.125 0.000 1.203 270 W CA 0.713 58.170 57.345 0.187 0.000 1.298 270 W CB -1.092 28.623 29.460 0.424 0.000 1.127 270 W HN 0.191 nan 8.180 nan 0.000 0.528 271 A N 0.791 123.594 122.820 -0.028 0.000 1.892 271 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 271 A C 2.048 179.560 177.584 -0.120 0.000 1.188 271 A CA 2.263 54.091 52.037 -0.349 0.000 0.631 271 A CB -0.834 17.508 19.000 -1.098 0.000 0.822 271 A HN 0.274 nan 8.150 nan 0.000 0.447 272 K N -0.515 119.810 120.400 -0.125 0.000 2.147 272 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 272 K C 1.911 178.512 176.600 0.002 0.000 1.049 272 K CA 1.584 57.826 56.287 -0.075 0.000 0.936 272 K CB -0.159 32.279 32.500 -0.104 0.000 0.722 272 K HN 0.649 nan 8.250 nan 0.000 0.446 273 E N 0.509 120.750 120.200 0.068 0.000 2.204 273 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 273 E C 1.699 178.349 176.600 0.084 0.000 0.989 273 E CA 0.854 57.310 56.400 0.094 0.000 0.824 273 E CB 0.127 29.924 29.700 0.161 0.000 0.756 273 E HN 0.331 nan 8.360 nan 0.000 0.477 274 Q N -0.808 119.060 119.800 0.113 0.000 2.425 274 Q HA 0.063 4.403 4.340 -0.000 0.000 0.204 274 Q C 0.976 177.019 176.000 0.071 0.000 0.933 274 Q CA 0.448 56.318 55.803 0.113 0.000 0.939 274 Q CB 0.817 29.685 28.738 0.217 0.000 1.044 274 Q HN 0.390 nan 8.270 nan 0.000 0.513 275 G N 1.593 110.415 108.800 0.037 0.000 2.143 275 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.249 275 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.249 275 G C 0.371 175.272 174.900 0.002 0.000 0.981 275 G CA 0.306 45.413 45.100 0.012 0.000 0.665 275 G HN 0.309 nan 8.290 nan 0.000 0.528 276 K N 0.388 120.785 120.400 -0.006 0.000 2.593 276 K HA 0.377 4.697 4.320 -0.000 0.000 0.208 276 K C 1.382 177.879 176.600 -0.172 0.000 1.051 276 K CA 0.072 56.335 56.287 -0.040 0.000 1.111 276 K CB 1.003 33.542 32.500 0.065 0.000 0.849 276 K HN 0.295 nan 8.250 nan 0.000 0.479 277 G N 1.756 110.460 108.800 -0.159 0.000 3.263 277 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.246 277 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.246 277 G C 0.677 175.464 174.900 -0.189 0.000 0.982 277 G CA 0.231 45.203 45.100 -0.213 0.000 1.897 277 G HN 0.330 nan 8.290 nan 0.000 0.624 278 S N -2.107 113.485 115.700 -0.180 0.000 2.391 278 S HA 0.290 4.760 4.470 -0.000 0.000 0.275 278 S C 1.971 176.500 174.600 -0.119 0.000 1.032 278 S CA 1.151 59.268 58.200 -0.139 0.000 1.421 278 S CB -0.243 62.901 63.200 -0.093 0.000 1.176 278 S HN 0.592 nan 8.310 nan 0.000 0.615 279 A N 1.865 124.611 122.820 -0.125 0.000 2.019 279 A HA 0.208 4.528 4.320 -0.000 0.000 0.219 279 A C 1.893 179.436 177.584 -0.068 0.000 1.164 279 A CA 1.766 53.771 52.037 -0.052 0.000 0.644 279 A CB -0.693 18.319 19.000 0.021 0.000 0.805 279 A HN 1.376 nan 8.150 nan 0.000 0.449 280 V N -4.814 114.988 119.914 -0.187 0.000 3.276 280 V HA 0.607 4.727 4.120 -0.000 0.000 0.319 280 V C 1.733 177.701 176.094 -0.210 0.000 1.427 280 V CA 0.471 62.667 62.300 -0.173 0.000 1.102 280 V CB -0.594 31.081 31.823 -0.246 0.000 1.020 280 V HN 0.382 nan 8.190 nan 0.000 0.456 281 A N 2.078 124.778 122.820 -0.200 0.000 1.978 281 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 281 A C 2.487 179.932 177.584 -0.232 0.000 1.170 281 A CA 2.418 54.320 52.037 -0.225 0.000 0.636 281 A CB -0.691 18.200 19.000 -0.182 0.000 0.810 281 A HN 1.032 nan 8.150 nan 0.000 0.448 282 S N -0.782 114.809 115.700 -0.182 0.000 2.436 282 S HA -0.041 4.429 4.470 -0.000 0.000 0.228 282 S C 1.678 176.119 174.600 -0.265 0.000 1.014 282 S CA 1.141 59.234 58.200 -0.179 0.000 0.950 282 S CB -0.550 62.588 63.200 -0.103 0.000 0.784 282 S HN 0.230 nan 8.310 nan 0.000 0.504 283 V N 1.673 121.406 119.914 -0.300 0.000 2.453 283 V HA -0.072 4.048 4.120 -0.000 0.000 0.247 283 V C 2.653 178.382 176.094 -0.607 0.000 1.048 283 V CA 1.329 63.313 62.300 -0.527 0.000 1.049 283 V CB -0.785 30.816 31.823 -0.370 0.000 0.672 283 V HN 0.431 nan 8.190 nan 0.000 0.457 284 V N 0.282 119.917 119.914 -0.466 0.000 2.287 284 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 284 V C 2.761 178.504 176.094 -0.585 0.000 1.053 284 V CA 2.586 64.528 62.300 -0.598 0.000 1.027 284 V CB -0.761 30.645 31.823 -0.695 0.000 0.646 284 V HN 0.677 nan 8.190 nan 0.000 0.447 285 S N -0.637 114.797 115.700 -0.443 0.000 2.382 285 S HA -0.249 4.221 4.470 -0.000 0.000 0.228 285 S C 2.024 176.460 174.600 -0.272 0.000 1.027 285 S CA 1.856 59.861 58.200 -0.325 0.000 0.991 285 S CB -0.242 62.813 63.200 -0.242 0.000 0.823 285 S HN 0.644 nan 8.310 nan 0.000 0.469 286 K N 0.858 121.057 120.400 -0.335 0.000 2.097 286 K HA 0.130 4.450 4.320 -0.000 0.000 0.205 286 K C 2.484 179.024 176.600 -0.100 0.000 1.050 286 K CA 1.087 57.221 56.287 -0.254 0.000 0.938 286 K CB -0.418 31.931 32.500 -0.253 0.000 0.718 286 K HN 0.451 nan 8.250 nan 0.000 0.442 287 A N 1.571 124.200 122.820 -0.319 0.000 1.902 287 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 287 A C 2.393 180.052 177.584 0.125 0.000 1.181 287 A CA 1.840 53.860 52.037 -0.028 0.000 0.623 287 A CB -0.838 18.140 19.000 -0.038 0.000 0.818 287 A HN 0.317 nan 8.150 nan 0.000 0.443 288 A N 0.165 123.005 122.820 0.034 0.000 1.892 288 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 288 A C 2.158 179.777 177.584 0.060 0.000 1.188 288 A CA 2.351 54.417 52.037 0.048 0.000 0.631 288 A CB -0.548 18.400 19.000 -0.087 0.000 0.822 288 A HN 0.626 nan 8.150 nan 0.000 0.447 289 K N -0.928 119.476 120.400 0.006 0.000 2.026 289 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 289 K C 2.168 178.844 176.600 0.126 0.000 1.048 289 K CA 1.682 57.911 56.287 -0.096 0.000 0.929 289 K CB -0.292 31.989 32.500 -0.365 0.000 0.713 289 K HN 0.487 nan 8.250 nan 0.000 0.439 290 M N 0.520 120.309 119.600 0.315 0.000 2.108 290 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 290 M C 1.958 178.448 176.300 0.316 0.000 1.066 290 M CA 2.214 57.779 55.300 0.443 0.000 1.107 290 M CB -0.508 32.389 32.600 0.496 0.000 1.356 290 M HN 0.369 nan 8.290 nan 0.000 0.406 291 G N -0.174 108.747 108.800 0.201 0.000 2.440 291 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 291 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 291 G C 1.173 176.305 174.900 0.387 0.000 1.154 291 G CA 1.334 46.497 45.100 0.105 0.000 0.767 291 G HN 0.476 nan 8.290 nan 0.000 0.552 292 D N 0.161 120.745 120.400 0.307 0.000 2.097 292 D HA -0.061 4.579 4.640 -0.000 0.000 0.195 292 D C 2.136 178.540 176.300 0.174 0.000 0.989 292 D CA 0.469 54.644 54.000 0.293 0.000 0.827 292 D CB -0.297 40.580 40.800 0.128 0.000 0.966 292 D HN 0.317 nan 8.370 nan 0.000 0.456 293 F N -0.069 119.965 119.950 0.140 0.000 2.451 293 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 293 F C 2.039 177.912 175.800 0.122 0.000 1.101 293 F CA 0.023 58.066 58.000 0.071 0.000 1.436 293 F CB 0.059 39.041 39.000 -0.029 0.000 1.074 293 F HN 0.019 nan 8.300 nan 0.000 0.553 294 L N 0.089 121.552 121.223 0.399 0.000 2.465 294 L HA -0.045 4.295 4.340 -0.000 0.000 0.224 294 L C 2.027 179.051 176.870 0.257 0.000 1.145 294 L CA 1.230 56.298 54.840 0.381 0.000 0.834 294 L CB -0.819 41.572 42.059 0.554 0.000 0.944 294 L HN 0.001 nan 8.230 nan 0.000 0.451 295 R N -0.781 119.821 120.500 0.169 0.000 2.241 295 R HA -0.096 4.244 4.340 -0.000 0.000 0.224 295 R C 1.734 178.149 176.300 0.192 0.000 1.101 295 R CA 0.835 56.934 56.100 -0.002 0.000 0.995 295 R CB -0.339 29.962 30.300 0.002 0.000 0.870 295 R HN 0.454 nan 8.270 nan 0.000 0.463 296 N N 1.026 119.849 118.700 0.204 0.000 2.364 296 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 296 N C 0.360 176.002 175.510 0.220 0.000 1.022 296 N CA 1.311 54.498 53.050 0.230 0.000 0.883 296 N CB -0.038 38.534 38.487 0.140 0.000 0.965 296 N HN 0.346 nan 8.380 nan 0.000 0.438 297 D N 0.006 120.495 120.400 0.148 0.000 2.349 297 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 297 D C 1.233 177.540 176.300 0.012 0.000 1.029 297 D CA 0.301 54.361 54.000 0.099 0.000 0.879 297 D CB 0.078 40.953 40.800 0.124 0.000 0.906 297 D HN 0.203 nan 8.370 nan 0.000 0.528 298 M N -0.230 119.271 119.600 -0.165 0.000 2.494 298 M HA 0.173 4.653 4.480 -0.000 0.000 0.232 298 M C -0.512 174.940 176.300 -1.413 0.000 1.137 298 M CA 0.265 55.167 55.300 -0.663 0.000 1.012 298 M CB 0.378 32.474 32.600 -0.840 0.000 1.567 298 M HN -0.107 nan 8.290 nan 0.000 0.486 299 F N -0.405 119.146 119.950 -0.665 0.000 2.508 299 F HA 0.281 4.808 4.527 -0.000 0.000 0.325 299 F C 0.371 175.859 175.800 -0.520 0.000 1.090 299 F CA -1.633 55.972 58.000 -0.659 0.000 0.945 299 F CB 0.920 39.650 39.000 -0.451 0.000 1.156 299 F HN -0.116 nan 8.300 nan 0.000 0.463 300 D N 2.227 122.493 120.400 -0.223 0.000 2.548 300 D HA -0.065 4.575 4.640 -0.000 0.000 0.231 300 D C 1.323 177.434 176.300 -0.315 0.000 1.142 300 D CA 0.564 54.505 54.000 -0.098 0.000 0.866 300 D CB 0.874 41.708 40.800 0.056 0.000 1.190 300 D HN 0.609 nan 8.370 nan 0.000 0.469 301 K N 1.978 122.227 120.400 -0.251 0.000 2.052 301 K HA -0.262 4.058 4.320 -0.000 0.000 0.215 301 K C 0.514 176.745 176.600 -0.616 0.000 1.053 301 K CA 1.583 57.602 56.287 -0.446 0.000 0.934 301 K CB -0.145 32.084 32.500 -0.451 0.000 0.717 301 K HN 0.609 nan 8.250 nan 0.000 0.450 302 Y N -0.932 119.408 120.300 0.066 0.000 2.681 302 Y HA 0.235 4.785 4.550 -0.000 0.000 0.267 302 Y C -0.707 175.317 175.900 0.207 0.000 1.166 302 Y CA -0.600 57.598 58.100 0.163 0.000 1.209 302 Y CB -0.015 38.602 38.460 0.262 0.000 1.161 302 Y HN 0.042 nan 8.280 nan 0.000 0.534 303 F N -1.918 118.128 119.950 0.159 0.000 3.091 303 F HA -0.302 4.225 4.527 -0.000 0.000 0.288 303 F C 0.301 176.130 175.800 0.047 0.000 0.907 303 F CA -0.046 58.006 58.000 0.087 0.000 1.028 303 F CB -1.679 37.335 39.000 0.023 0.000 1.022 303 F HN -0.019 nan 8.300 nan 0.000 0.665 304 M N 0.324 119.991 119.600 0.110 0.000 2.228 304 M HA 0.221 4.701 4.480 -0.000 0.000 0.326 304 M C 0.809 177.143 176.300 0.057 0.000 1.122 304 M CA -0.232 55.054 55.300 -0.023 0.000 1.161 304 M CB 0.656 33.062 32.600 -0.323 0.000 1.437 304 M HN 0.066 nan 8.290 nan 0.000 0.465 305 K N 1.402 121.821 120.400 0.031 0.000 2.350 305 K HA 0.252 4.572 4.320 -0.000 0.000 0.279 305 K C -0.318 176.339 176.600 0.096 0.000 1.027 305 K CA -0.422 55.903 56.287 0.063 0.000 0.969 305 K CB 0.431 32.955 32.500 0.040 0.000 0.954 305 K HN 0.408 nan 8.250 nan 0.000 0.474 306 I N 2.560 123.195 120.570 0.109 0.000 2.662 306 I HA -0.068 4.102 4.170 -0.000 0.000 0.285 306 I C 1.503 177.700 176.117 0.134 0.000 1.161 306 I CA 1.116 62.501 61.300 0.142 0.000 1.415 306 I CB -0.452 37.625 38.000 0.128 0.000 1.385 306 I HN 1.068 nan 8.210 nan 0.000 0.552 307 G N 5.021 113.922 108.800 0.168 0.000 2.175 307 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 307 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 307 G C 1.074 175.982 174.900 0.014 0.000 0.982 307 G CA 0.505 45.675 45.100 0.117 0.000 0.641 307 G HN 0.808 nan 8.290 nan 0.000 0.527 308 A N -0.122 122.718 122.820 0.035 0.000 1.969 308 A HA 0.255 4.575 4.320 -0.000 0.000 0.218 308 A C 1.697 179.237 177.584 -0.074 0.000 1.169 308 A CA 2.211 54.239 52.037 -0.015 0.000 0.635 308 A CB -0.397 18.598 19.000 -0.010 0.000 0.810 308 A HN 1.385 nan 8.150 nan 0.000 0.445 309 Q N -1.162 118.574 119.800 -0.107 0.000 2.461 309 Q HA -0.229 4.111 4.340 -0.000 0.000 0.273 309 Q C -0.715 175.261 176.000 -0.039 0.000 1.163 309 Q CA 1.055 56.730 55.803 -0.214 0.000 0.929 309 Q CB -1.380 27.077 28.738 -0.469 0.000 1.334 309 Q HN 0.757 nan 8.270 nan 0.000 0.499 310 D N -1.338 119.089 120.400 0.045 0.000 2.764 310 D HA 0.166 4.806 4.640 -0.000 0.000 0.293 310 D C -1.126 175.128 176.300 -0.077 0.000 1.287 310 D CA -0.719 53.287 54.000 0.010 0.000 0.768 310 D CB 0.944 41.717 40.800 -0.046 0.000 1.288 310 D HN -0.029 nan 8.370 nan 0.000 0.426 311 K N 0.836 121.136 120.400 -0.167 0.000 2.751 311 K HA 0.296 4.616 4.320 -0.000 0.000 0.252 311 K C -0.509 175.925 176.600 -0.276 0.000 1.277 311 K CA 0.054 56.116 56.287 -0.375 0.000 1.226 311 K CB 0.041 32.298 32.500 -0.406 0.000 1.658 311 K HN 0.125 nan 8.250 nan 0.000 0.303 312 T N 4.060 118.482 114.554 -0.221 0.000 2.738 312 T HA 0.189 4.539 4.350 -0.000 0.000 0.298 312 T C -2.317 172.312 174.700 -0.118 0.000 0.962 312 T CA -1.765 60.253 62.100 -0.135 0.000 0.972 312 T CB 0.885 69.703 68.868 -0.082 0.000 0.928 312 T HN 0.209 nan 8.240 nan 0.000 0.474 313 P HA 0.321 nan 4.420 nan 0.000 0.271 313 P C -0.714 176.583 177.300 -0.005 0.000 1.216 313 P CA -0.378 62.698 63.100 -0.041 0.000 0.771 313 P CB 0.600 32.276 31.700 -0.040 0.000 0.864 314 A N 2.903 125.747 122.820 0.039 0.000 2.279 314 A HA 0.552 4.872 4.320 -0.000 0.000 0.303 314 A C 1.263 178.863 177.584 0.027 0.000 1.108 314 A CA -0.006 52.061 52.037 0.050 0.000 0.830 314 A CB 0.245 19.304 19.000 0.098 0.000 1.106 314 A HN 0.595 nan 8.150 nan 0.000 0.493 315 T N -1.943 112.622 114.554 0.019 0.000 2.978 315 T HA 0.409 4.759 4.350 -0.000 0.000 0.248 315 T C 1.063 175.755 174.700 -0.013 0.000 1.018 315 T CA 0.925 63.018 62.100 -0.011 0.000 1.026 315 T CB -0.034 68.828 68.868 -0.010 0.000 1.032 315 T HN 0.982 nan 8.240 nan 0.000 0.485 316 G N -0.030 108.793 108.800 0.038 0.000 3.306 316 G HA2 0.402 4.362 3.960 -0.000 0.000 0.202 316 G HA3 0.402 4.362 3.960 -0.000 0.000 0.202 316 G C -0.190 174.749 174.900 0.065 0.000 1.673 316 G CA -0.626 44.513 45.100 0.064 0.000 0.776 316 G HN 0.283 nan 8.290 nan 0.000 0.740 317 Y N 1.339 121.714 120.300 0.124 0.000 2.470 317 Y HA 0.156 4.706 4.550 -0.000 0.000 0.302 317 Y C 1.723 177.673 175.900 0.083 0.000 1.194 317 Y CA -0.116 58.075 58.100 0.151 0.000 1.271 317 Y CB 0.509 39.053 38.460 0.140 0.000 1.092 317 Y HN 0.178 nan 8.280 nan 0.000 0.513 318 D N -0.828 119.683 120.400 0.185 0.000 2.310 318 D HA -0.128 4.511 4.640 -0.000 0.000 0.212 318 D C 1.851 178.213 176.300 0.103 0.000 0.965 318 D CA 1.330 55.406 54.000 0.127 0.000 0.879 318 D CB -0.004 40.855 40.800 0.097 0.000 0.921 318 D HN 0.349 nan 8.370 nan 0.000 0.510 319 S N -0.980 114.803 115.700 0.138 0.000 2.540 319 S HA 0.370 4.840 4.470 -0.000 0.000 0.218 319 S C 0.886 175.456 174.600 -0.051 0.000 0.977 319 S CA -0.515 57.770 58.200 0.143 0.000 0.918 319 S CB 0.482 63.870 63.200 0.314 0.000 0.806 319 S HN 0.138 nan 8.310 nan 0.000 0.496 320 A N 2.351 124.991 122.820 -0.299 0.000 2.302 320 A HA 0.545 4.865 4.320 -0.000 0.000 0.295 320 A C 0.669 177.775 177.584 -0.796 0.000 1.235 320 A CA -0.563 50.830 52.037 -1.073 0.000 0.876 320 A CB -0.129 17.987 19.000 -1.472 0.000 1.133 320 A HN 0.696 nan 8.150 nan 0.000 0.533 321 H N 0.239 118.985 119.070 -0.541 0.000 2.553 321 H HA 0.183 4.739 4.556 -0.000 0.000 0.265 321 H C -0.190 174.996 175.328 -0.237 0.000 0.964 321 H CA 0.229 56.107 56.048 -0.283 0.000 1.156 321 H CB -0.620 29.023 29.762 -0.198 0.000 1.411 321 H HN 0.731 nan 8.280 nan 0.000 0.558 322 Y N -0.755 119.327 120.300 -0.364 0.000 4.604 322 Y HA -0.252 4.298 4.550 -0.000 0.000 0.230 322 Y C -0.253 175.550 175.900 -0.162 0.000 1.066 322 Y CA 0.384 58.295 58.100 -0.315 0.000 1.990 322 Y CB -2.330 35.948 38.460 -0.304 0.000 1.619 322 Y HN 0.250 nan 8.280 nan 0.000 0.649 323 L N -0.244 121.058 121.223 0.131 0.000 2.365 323 L HA 0.489 4.829 4.340 -0.000 0.000 0.267 323 L C 0.732 177.620 176.870 0.030 0.000 1.033 323 L CA -1.353 53.462 54.840 -0.042 0.000 0.802 323 L CB 0.428 42.250 42.059 -0.394 0.000 1.267 323 L HN -0.126 nan 8.230 nan 0.000 0.457 324 M N 1.968 121.588 119.600 0.033 0.000 2.455 324 M HA 0.222 4.702 4.480 -0.000 0.000 0.331 324 M C 0.307 176.644 176.300 0.062 0.000 1.481 324 M CA -0.186 55.170 55.300 0.094 0.000 1.362 324 M CB -0.205 32.482 32.600 0.145 0.000 1.564 324 M HN 0.674 nan 8.290 nan 0.000 0.458 325 A N 3.815 126.669 122.820 0.056 0.000 2.346 325 A HA 0.066 4.386 4.320 -0.000 0.000 0.255 325 A C 1.185 178.797 177.584 0.047 0.000 1.113 325 A CA -0.364 51.650 52.037 -0.038 0.000 0.798 325 A CB 0.140 19.102 19.000 -0.064 0.000 1.073 325 A HN 0.987 nan 8.150 nan 0.000 0.502 326 W N -0.583 120.556 121.300 -0.268 0.000 2.350 326 W HA -0.083 4.577 4.660 -0.000 0.000 0.289 326 W C -0.202 176.361 176.519 0.073 0.000 1.215 326 W CA 2.507 59.714 57.345 -0.230 0.000 1.236 326 W CB -0.087 29.160 29.460 -0.354 0.000 1.130 326 W HN 0.716 nan 8.180 nan 0.000 0.541 327 Y N -3.341 117.052 120.300 0.155 0.000 2.741 327 Y HA 0.435 4.985 4.550 -0.000 0.000 0.339 327 Y C -0.963 175.031 175.900 0.156 0.000 1.226 327 Y CA -1.620 56.558 58.100 0.129 0.000 1.072 327 Y CB 0.160 38.705 38.460 0.141 0.000 1.331 327 Y HN -0.372 nan 8.280 nan 0.000 0.453 328 T N 1.332 116.175 114.554 0.482 0.000 2.885 328 T HA 0.905 5.255 4.350 -0.000 0.000 0.285 328 T C -0.687 174.402 174.700 0.647 0.000 1.019 328 T CA -0.254 62.138 62.100 0.487 0.000 1.010 328 T CB 1.547 70.608 68.868 0.321 0.000 1.022 328 T HN 1.059 nan 8.240 nan 0.000 0.466 329 A N 2.239 125.428 122.820 0.616 0.000 2.414 329 A HA 0.884 5.204 4.320 -0.000 0.000 0.306 329 A C -1.554 176.279 177.584 0.414 0.000 1.054 329 A CA -1.094 51.245 52.037 0.503 0.000 0.724 329 A CB 1.164 20.397 19.000 0.389 0.000 1.267 329 A HN 1.008 nan 8.150 nan 0.000 0.418 330 W N 0.957 122.098 121.300 -0.266 0.000 3.118 330 W HA 0.805 5.465 4.660 -0.000 0.000 0.328 330 W C -0.196 175.641 176.519 -1.137 0.000 1.239 330 W CA -0.395 56.475 57.345 -0.792 0.000 1.176 330 W CB 0.995 30.258 29.460 -0.329 0.000 1.433 330 W HN 1.288 nan 8.180 nan 0.000 0.562 331 G N -0.037 107.604 108.800 -1.931 0.000 2.606 331 G HA2 0.751 4.710 3.960 -0.000 0.000 0.300 331 G HA3 0.751 4.710 3.960 -0.000 0.000 0.300 331 G C -1.035 172.570 174.900 -2.158 0.000 1.360 331 G CA -0.152 43.633 45.100 -2.190 0.000 0.783 331 G HN 1.588 nan 8.290 nan 0.000 0.484 332 G N -2.054 105.332 108.800 -2.356 0.000 2.441 332 G HA2 0.673 4.633 3.960 -0.000 0.000 0.294 332 G HA3 0.673 4.633 3.960 -0.000 0.000 0.294 332 G C -0.211 173.657 174.900 -1.720 0.000 1.393 332 G CA 0.371 44.497 45.100 -1.623 0.000 0.796 332 G HN 1.459 nan 8.290 nan 0.000 0.494 333 G N -1.214 106.522 108.800 -1.774 0.000 2.503 333 G HA2 0.496 4.456 3.960 -0.000 0.000 0.257 333 G HA3 0.496 4.456 3.960 -0.000 0.000 0.257 333 G C 0.642 175.388 174.900 -0.256 0.000 1.214 333 G CA -0.420 43.963 45.100 -1.195 0.000 0.839 333 G HN 0.525 nan 8.290 nan 0.000 0.559 334 I N 1.253 121.788 120.570 -0.058 0.000 2.499 334 I HA 0.081 4.251 4.170 -0.000 0.000 0.243 334 I C 2.769 178.908 176.117 0.037 0.000 1.085 334 I CA 0.973 62.304 61.300 0.052 0.000 1.422 334 I CB -0.051 37.978 38.000 0.049 0.000 1.165 334 I HN 0.607 nan 8.210 nan 0.000 0.440 335 G N 0.581 109.415 108.800 0.057 0.000 2.534 335 G HA2 0.274 4.234 3.960 -0.000 0.000 0.217 335 G HA3 0.274 4.234 3.960 -0.000 0.000 0.217 335 G C 0.470 175.437 174.900 0.111 0.000 1.128 335 G CA 0.734 45.882 45.100 0.080 0.000 0.784 335 G HN 0.434 nan 8.290 nan 0.000 0.542 336 A N -0.469 122.438 122.820 0.145 0.000 2.569 336 A HA 0.699 5.019 4.320 -0.000 0.000 0.290 336 A C -0.292 177.378 177.584 0.143 0.000 1.136 336 A CA -0.098 52.061 52.037 0.204 0.000 0.710 336 A CB 1.115 20.321 19.000 0.343 0.000 1.303 336 A HN 0.627 nan 8.150 nan 0.000 0.413 337 S N 1.642 117.467 115.700 0.209 0.000 2.423 337 S HA 0.720 5.190 4.470 -0.000 0.000 0.317 337 S C -0.623 174.161 174.600 0.307 0.000 1.065 337 S CA -0.476 57.817 58.200 0.154 0.000 1.111 337 S CB -0.361 62.921 63.200 0.137 0.000 0.968 337 S HN 1.363 nan 8.310 nan 0.000 0.474 338 W N 0.457 121.849 121.300 0.153 0.000 3.419 338 W HA 0.732 5.392 4.660 -0.000 0.000 0.298 338 W C -1.660 174.961 176.519 0.170 0.000 1.260 338 W CA -1.252 56.186 57.345 0.155 0.000 1.199 338 W CB 0.894 30.439 29.460 0.141 0.000 1.349 338 W HN 0.819 nan 8.180 nan 0.000 0.557 339 A N 3.015 126.099 122.820 0.440 0.000 2.587 339 A HA 0.946 5.266 4.320 -0.000 0.000 0.293 339 A C -1.570 176.329 177.584 0.525 0.000 1.087 339 A CA -0.764 51.432 52.037 0.265 0.000 0.692 339 A CB 1.973 21.110 19.000 0.227 0.000 1.291 339 A HN 1.082 nan 8.150 nan 0.000 0.407 340 W N 0.639 122.148 121.300 0.348 0.000 3.075 340 W HA 0.809 5.469 4.660 -0.000 0.000 0.334 340 W C -1.547 175.198 176.519 0.377 0.000 1.243 340 W CA -0.726 56.873 57.345 0.424 0.000 1.170 340 W CB 1.355 31.010 29.460 0.326 0.000 1.452 340 W HN 0.918 nan 8.180 nan 0.000 0.572 341 K N 2.316 123.149 120.400 0.720 0.000 2.523 341 K HA 0.582 4.902 4.320 -0.000 0.000 0.257 341 K C -1.342 175.653 176.600 0.657 0.000 0.932 341 K CA -0.579 55.985 56.287 0.462 0.000 0.812 341 K CB 2.655 35.236 32.500 0.136 0.000 1.326 341 K HN 0.626 nan 8.250 nan 0.000 0.433 342 I N 0.116 121.016 120.570 0.551 0.000 2.646 342 I HA 0.653 4.823 4.170 -0.000 0.000 0.299 342 I C 0.268 176.487 176.117 0.171 0.000 1.036 342 I CA -0.925 60.556 61.300 0.302 0.000 1.074 342 I CB 2.027 40.169 38.000 0.236 0.000 1.258 342 I HN 0.669 nan 8.210 nan 0.000 0.430 343 G N 2.285 111.006 108.800 -0.131 0.000 2.714 343 G HA2 0.494 4.454 3.960 -0.000 0.000 0.197 343 G HA3 0.494 4.454 3.960 -0.000 0.000 0.197 343 G C -1.080 173.674 174.900 -0.243 0.000 1.449 343 G CA -0.470 44.545 45.100 -0.142 0.000 1.065 343 G HN 0.836 nan 8.290 nan 0.000 0.575 344 C N -1.870 117.239 119.300 -0.319 0.000 2.985 344 C HA 0.635 5.095 4.460 -0.000 0.000 0.332 344 C C 1.281 176.057 174.990 -0.357 0.000 1.164 344 C CA -0.249 58.450 59.018 -0.532 0.000 1.347 344 C CB 1.105 28.264 27.740 -0.968 0.000 1.764 344 C HN 0.559 nan 8.230 nan 0.000 0.489 345 S N 1.700 117.065 115.700 -0.559 0.000 2.524 345 S HA 0.157 4.626 4.470 -0.000 0.000 0.216 345 S C 0.220 174.520 174.600 -0.500 0.000 0.987 345 S CA 0.288 58.216 58.200 -0.453 0.000 0.909 345 S CB -0.272 62.638 63.200 -0.483 0.000 0.781 345 S HN 0.801 nan 8.310 nan 0.000 0.521 346 H N 1.071 119.969 119.070 -0.286 0.000 2.459 346 H HA 0.719 5.275 4.556 0.000 0.000 0.332 346 H C -0.333 174.824 175.328 -0.286 0.000 1.094 346 H CA -0.833 55.032 56.048 -0.305 0.000 1.224 346 H CB 1.220 30.757 29.762 -0.376 0.000 1.449 346 H HN 0.143 nan 8.280 nan 0.000 0.484 347 A N 3.058 125.790 122.820 -0.146 0.000 2.371 347 A HA 0.395 4.715 4.320 -0.000 0.000 0.311 347 A C -1.194 176.435 177.584 0.075 0.000 1.068 347 A CA -0.628 51.340 52.037 -0.116 0.000 0.744 347 A CB 1.792 20.560 19.000 -0.387 0.000 1.239 347 A HN 0.776 nan 8.150 nan 0.000 0.435 348 H N 2.732 121.812 119.070 0.016 0.000 2.529 348 H HA 0.372 4.928 4.556 -0.000 0.000 0.348 348 H C 0.515 175.855 175.328 0.020 0.000 1.079 348 H CA -0.933 55.092 56.048 -0.038 0.000 1.198 348 H CB 1.190 30.849 29.762 -0.172 0.000 1.521 348 H HN 0.700 nan 8.280 nan 0.000 0.514 349 F N 3.249 123.240 119.950 0.069 0.000 2.250 349 F HA 0.023 4.549 4.527 -0.000 0.000 0.301 349 F C 1.735 177.580 175.800 0.074 0.000 1.077 349 F CA 1.350 59.291 58.000 -0.098 0.000 1.348 349 F CB -0.679 38.014 39.000 -0.512 0.000 1.040 349 F HN 0.516 nan 8.300 nan 0.000 0.509 350 G N -1.169 107.095 108.800 -0.893 0.000 2.509 350 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.218 350 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.218 350 G C 0.981 175.803 174.900 -0.131 0.000 1.124 350 G CA 0.566 45.130 45.100 -0.895 0.000 0.776 350 G HN 0.495 nan 8.290 nan 0.000 0.547 351 Y N 0.304 120.420 120.300 -0.306 0.000 2.449 351 Y HA 0.270 4.820 4.550 -0.000 0.000 0.254 351 Y C 1.109 176.985 175.900 -0.040 0.000 1.140 351 Y CA -0.707 57.293 58.100 -0.168 0.000 1.272 351 Y CB 0.235 38.572 38.460 -0.206 0.000 1.114 351 Y HN 0.097 nan 8.280 nan 0.000 0.525 352 Q N 0.723 120.605 119.800 0.137 0.000 2.340 352 Q HA 0.125 4.465 4.340 -0.000 0.000 0.249 352 Q C -0.201 175.935 176.000 0.226 0.000 0.957 352 Q CA 0.111 56.022 55.803 0.181 0.000 0.882 352 Q CB 0.766 29.610 28.738 0.175 0.000 1.235 352 Q HN 0.107 nan 8.270 nan 0.000 0.439 353 N N 2.243 121.077 118.700 0.223 0.000 2.707 353 N HA 0.178 4.918 4.740 -0.000 0.000 0.249 353 N C -2.271 173.361 175.510 0.202 0.000 1.299 353 N CA -1.542 51.622 53.050 0.189 0.000 0.769 353 N CB 1.160 39.695 38.487 0.080 0.000 1.236 353 N HN 0.131 nan 8.380 nan 0.000 0.524 354 P HA -0.091 nan 4.420 nan 0.000 0.223 354 P C 1.423 178.793 177.300 0.117 0.000 1.151 354 P CA 0.476 63.681 63.100 0.175 0.000 0.787 354 P CB 0.214 31.943 31.700 0.048 0.000 0.788 355 F N 1.839 121.796 119.950 0.012 0.000 2.051 355 F HA -0.171 4.356 4.527 -0.000 0.000 0.296 355 F C 2.630 178.385 175.800 -0.074 0.000 1.122 355 F CA 1.695 59.699 58.000 0.006 0.000 1.201 355 F CB -0.899 38.088 39.000 -0.021 0.000 0.978 355 F HN -0.162 nan 8.300 nan 0.000 0.472 356 Q N 0.802 120.515 119.800 -0.146 0.000 2.112 356 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 356 Q C 2.356 178.039 176.000 -0.528 0.000 0.987 356 Q CA 2.018 57.595 55.803 -0.378 0.000 0.858 356 Q CB -1.165 27.429 28.738 -0.240 0.000 0.905 356 Q HN 0.551 nan 8.270 nan 0.000 0.420 357 G N 0.146 108.772 108.800 -0.290 0.000 2.491 357 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 357 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 357 G C 1.138 175.909 174.900 -0.216 0.000 1.180 357 G CA 0.884 45.903 45.100 -0.134 0.000 0.774 357 G HN 0.635 nan 8.290 nan 0.000 0.562 358 W N 0.970 121.899 121.300 -0.619 0.000 2.342 358 W HA -0.092 4.568 4.660 -0.000 0.000 0.297 358 W C 2.375 178.429 176.519 -0.775 0.000 1.213 358 W CA 1.782 58.512 57.345 -1.025 0.000 1.251 358 W CB -0.293 28.641 29.460 -0.876 0.000 1.136 358 W HN 0.047 nan 8.180 nan 0.000 0.526 359 V N 0.385 119.738 119.914 -0.935 0.000 2.270 359 V HA -0.310 3.810 4.120 -0.000 0.000 0.245 359 V C 2.567 178.173 176.094 -0.813 0.000 1.043 359 V CA 2.320 63.922 62.300 -1.164 0.000 1.014 359 V CB -1.303 29.805 31.823 -1.192 0.000 0.645 359 V HN 0.376 nan 8.190 nan 0.000 0.447 360 S N -0.012 115.254 115.700 -0.723 0.000 2.423 360 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 360 S C 1.910 176.301 174.600 -0.348 0.000 1.014 360 S CA 1.484 59.333 58.200 -0.585 0.000 0.965 360 S CB -0.167 62.399 63.200 -1.056 0.000 0.785 360 S HN 0.578 nan 8.310 nan 0.000 0.495 361 A N 0.368 122.999 122.820 -0.314 0.000 2.030 361 A HA 0.154 4.474 4.320 -0.000 0.000 0.215 361 A C 2.219 179.677 177.584 -0.210 0.000 1.164 361 A CA 1.453 53.437 52.037 -0.087 0.000 0.697 361 A CB -0.514 18.585 19.000 0.166 0.000 0.827 361 A HN 0.746 nan 8.150 nan 0.000 0.457 362 T N -4.804 109.452 114.554 -0.497 0.000 2.986 362 T HA 0.186 4.536 4.350 -0.000 0.000 0.264 362 T C 0.230 174.662 174.700 -0.445 0.000 0.964 362 T CA -0.265 61.554 62.100 -0.470 0.000 0.895 362 T CB 0.115 68.585 68.868 -0.664 0.000 1.163 362 T HN 0.115 nan 8.240 nan 0.000 0.517 363 Q N 2.446 121.950 119.800 -0.492 0.000 2.331 363 Q HA 0.420 4.760 4.340 -0.000 0.000 0.257 363 Q C 1.206 177.122 176.000 -0.140 0.000 0.957 363 Q CA 0.051 55.662 55.803 -0.319 0.000 0.923 363 Q CB 1.798 30.347 28.738 -0.314 0.000 1.212 363 Q HN 0.517 nan 8.270 nan 0.000 0.443 364 S N 1.771 117.400 115.700 -0.119 0.000 2.402 364 S HA -0.153 4.316 4.470 -0.000 0.000 0.229 364 S C 0.848 175.376 174.600 -0.121 0.000 1.021 364 S CA 1.171 59.309 58.200 -0.104 0.000 0.974 364 S CB 0.118 63.261 63.200 -0.094 0.000 0.800 364 S HN 0.477 nan 8.310 nan 0.000 0.484 365 D N 1.050 121.368 120.400 -0.138 0.000 2.221 365 D HA -0.051 4.589 4.640 -0.000 0.000 0.204 365 D C 0.666 176.692 176.300 -0.457 0.000 0.982 365 D CA 1.006 54.828 54.000 -0.296 0.000 0.857 365 D CB -0.335 40.244 40.800 -0.367 0.000 0.934 365 D HN 0.559 nan 8.370 nan 0.000 0.475 366 F N 0.391 120.217 119.950 -0.206 0.000 2.639 366 F HA 0.342 4.869 4.527 -0.000 0.000 0.300 366 F C 0.887 176.577 175.800 -0.183 0.000 1.109 366 F CA -0.575 57.298 58.000 -0.211 0.000 1.335 366 F CB 0.052 38.892 39.000 -0.268 0.000 1.014 366 F HN -0.248 nan 8.300 nan 0.000 0.537 367 A N 1.595 124.384 122.820 -0.051 0.000 2.524 367 A HA 0.308 4.628 4.320 -0.000 0.000 0.250 367 A C -2.118 175.462 177.584 -0.006 0.000 1.078 367 A CA -1.154 50.859 52.037 -0.040 0.000 0.761 367 A CB -0.563 18.401 19.000 -0.059 0.000 1.012 367 A HN -0.003 nan 8.150 nan 0.000 0.500 368 P HA 0.014 nan 4.420 nan 0.000 0.264 368 P C 0.618 177.947 177.300 0.048 0.000 1.183 368 P CA 0.047 63.207 63.100 0.100 0.000 0.763 368 P CB 0.581 32.376 31.700 0.159 0.000 0.807 369 K N 2.065 122.500 120.400 0.059 0.000 2.296 369 K HA -0.017 4.303 4.320 -0.000 0.000 0.200 369 K C 0.589 177.083 176.600 -0.176 0.000 1.048 369 K CA 0.364 56.600 56.287 -0.085 0.000 0.966 369 K CB 0.037 32.448 32.500 -0.147 0.000 0.754 369 K HN 0.629 nan 8.250 nan 0.000 0.466 370 S N -0.093 115.522 115.700 -0.141 0.000 2.600 370 S HA 0.000 4.470 4.470 -0.000 0.000 0.265 370 S C 1.081 175.642 174.600 -0.065 0.000 1.325 370 S CA -0.103 58.010 58.200 -0.144 0.000 1.002 370 S CB 1.530 64.682 63.200 -0.080 0.000 0.921 370 S HN 0.287 nan 8.310 nan 0.000 0.554 371 S N 0.816 116.481 115.700 -0.059 0.000 2.461 371 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 371 S C 0.965 175.563 174.600 -0.003 0.000 1.005 371 S CA 0.286 58.467 58.200 -0.033 0.000 0.942 371 S CB -0.541 62.638 63.200 -0.036 0.000 0.776 371 S HN 0.740 nan 8.310 nan 0.000 0.514 372 N N 1.047 119.759 118.700 0.020 0.000 2.220 372 N HA 0.233 4.973 4.740 -0.000 0.000 0.195 372 N C 1.667 177.215 175.510 0.064 0.000 1.123 372 N CA 0.710 53.784 53.050 0.040 0.000 0.874 372 N CB -0.186 38.349 38.487 0.079 0.000 0.995 372 N HN 0.518 nan 8.380 nan 0.000 0.498 373 G N 1.812 110.667 108.800 0.092 0.000 2.476 373 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 373 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 373 G C 1.523 176.569 174.900 0.243 0.000 1.164 373 G CA 0.774 45.979 45.100 0.176 0.000 0.768 373 G HN 0.248 nan 8.290 nan 0.000 0.560 374 K N 0.411 120.909 120.400 0.163 0.000 2.032 374 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 374 K C 2.554 179.229 176.600 0.125 0.000 1.048 374 K CA 1.283 57.658 56.287 0.147 0.000 0.927 374 K CB -0.251 32.286 32.500 0.062 0.000 0.712 374 K HN 0.276 nan 8.250 nan 0.000 0.441 375 R N 0.628 121.160 120.500 0.052 0.000 2.083 375 R HA -0.160 4.179 4.340 -0.000 0.000 0.237 375 R C 1.544 177.821 176.300 -0.038 0.000 1.137 375 R CA 2.191 58.285 56.100 -0.010 0.000 0.951 375 R CB -0.251 30.015 30.300 -0.057 0.000 0.851 375 R HN 0.214 nan 8.270 nan 0.000 0.434 376 D N -0.571 119.807 120.400 -0.036 0.000 2.117 376 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 376 D C 1.656 177.881 176.300 -0.124 0.000 0.987 376 D CA 1.205 55.154 54.000 -0.085 0.000 0.829 376 D CB -0.432 40.332 40.800 -0.060 0.000 0.961 376 D HN 0.384 nan 8.370 nan 0.000 0.460 377 W N 1.035 122.374 121.300 0.065 0.000 2.436 377 W HA -0.097 4.563 4.660 -0.000 0.000 0.284 377 W C 2.532 179.133 176.519 0.136 0.000 1.225 377 W CA 0.988 58.389 57.345 0.093 0.000 1.271 377 W CB -0.374 29.125 29.460 0.066 0.000 1.114 377 W HN -0.108 nan 8.180 nan 0.000 0.559 378 T N -0.393 114.337 114.554 0.292 0.000 2.684 378 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 378 T C 1.598 176.241 174.700 -0.095 0.000 1.036 378 T CA 2.152 64.366 62.100 0.190 0.000 1.148 378 T CB -0.796 68.134 68.868 0.104 0.000 0.863 378 T HN 0.064 nan 8.240 nan 0.000 0.436 379 T N 1.386 115.818 114.554 -0.202 0.000 2.684 379 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 379 T C 2.331 176.809 174.700 -0.371 0.000 1.036 379 T CA 1.559 63.401 62.100 -0.431 0.000 1.148 379 T CB -0.515 67.867 68.868 -0.809 0.000 0.863 379 T HN 0.364 nan 8.240 nan 0.000 0.436 380 S N 0.630 116.223 115.700 -0.178 0.000 2.356 380 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 380 S C 2.054 176.716 174.600 0.103 0.000 1.032 380 S CA 1.715 59.900 58.200 -0.025 0.000 1.005 380 S CB -0.576 62.585 63.200 -0.066 0.000 0.867 380 S HN 0.748 nan 8.310 nan 0.000 0.449 381 Y N 1.073 121.477 120.300 0.174 0.000 2.274 381 Y HA 0.088 4.638 4.550 -0.000 0.000 0.290 381 Y C 1.941 177.865 175.900 0.039 0.000 1.145 381 Y CA 1.458 59.646 58.100 0.146 0.000 1.203 381 Y CB -0.462 38.103 38.460 0.175 0.000 0.984 381 Y HN 0.143 nan 8.280 nan 0.000 0.533 382 K N 0.080 120.096 120.400 -0.641 0.000 2.097 382 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 382 K C 2.215 178.728 176.600 -0.146 0.000 1.050 382 K CA 1.312 57.324 56.287 -0.458 0.000 0.938 382 K CB -0.166 32.033 32.500 -0.500 0.000 0.718 382 K HN 0.161 nan 8.250 nan 0.000 0.442 383 R N 1.821 122.239 120.500 -0.138 0.000 2.075 383 R HA -0.089 4.250 4.340 -0.000 0.000 0.232 383 R C 2.016 178.386 176.300 0.116 0.000 1.126 383 R CA 1.593 57.657 56.100 -0.059 0.000 0.963 383 R CB -0.235 29.959 30.300 -0.178 0.000 0.858 383 R HN 0.221 nan 8.270 nan 0.000 0.435 384 Q N -0.139 119.724 119.800 0.105 0.000 2.096 384 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 384 Q C 2.146 178.349 176.000 0.338 0.000 0.982 384 Q CA 1.766 57.694 55.803 0.208 0.000 0.850 384 Q CB -0.210 28.680 28.738 0.255 0.000 0.901 384 Q HN 0.347 nan 8.270 nan 0.000 0.422 385 L N 0.543 121.890 121.223 0.207 0.000 2.083 385 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 385 L C 2.182 179.162 176.870 0.183 0.000 1.083 385 L CA 1.136 56.071 54.840 0.158 0.000 0.752 385 L CB -0.317 41.720 42.059 -0.036 0.000 0.899 385 L HN 0.258 nan 8.230 nan 0.000 0.433 386 E N -0.538 119.772 120.200 0.184 0.000 2.106 386 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 386 E C 2.020 178.592 176.600 -0.046 0.000 0.984 386 E CA 0.974 57.443 56.400 0.115 0.000 0.806 386 E CB -0.104 29.769 29.700 0.288 0.000 0.750 386 E HN 0.285 nan 8.360 nan 0.000 0.458 387 F N 0.936 120.789 119.950 -0.161 0.000 2.043 387 F HA -0.286 4.241 4.527 0.000 0.000 0.297 387 F C 1.856 177.467 175.800 -0.314 0.000 1.121 387 F CA 1.568 59.221 58.000 -0.578 0.000 1.199 387 F CB -0.744 37.959 39.000 -0.495 0.000 0.968 387 F HN 0.033 nan 8.300 nan 0.000 0.478 388 Y N 0.435 120.646 120.300 -0.147 0.000 2.151 388 Y HA -0.332 4.218 4.550 -0.000 0.000 0.284 388 Y C 2.679 178.397 175.900 -0.303 0.000 1.166 388 Y CA 2.158 60.115 58.100 -0.239 0.000 1.163 388 Y CB -0.928 37.457 38.460 -0.125 0.000 0.974 388 Y HN 0.219 nan 8.280 nan 0.000 0.511 389 Q N -1.775 117.985 119.800 -0.067 0.000 2.046 389 Q HA -0.245 4.095 4.340 -0.000 0.000 0.200 389 Q C 2.046 178.009 176.000 -0.063 0.000 0.975 389 Q CA 1.547 57.269 55.803 -0.134 0.000 0.836 389 Q CB -0.632 28.125 28.738 0.031 0.000 0.896 389 Q HN 0.643 nan 8.270 nan 0.000 0.428 390 W N 1.325 122.358 121.300 -0.445 0.000 2.342 390 W HA -0.164 4.497 4.660 0.000 0.000 0.297 390 W C 1.213 177.613 176.519 -0.198 0.000 1.213 390 W CA 1.289 58.489 57.345 -0.241 0.000 1.251 390 W CB -0.139 29.056 29.460 -0.443 0.000 1.136 390 W HN 0.049 nan 8.180 nan 0.000 0.526 391 L N 0.460 121.379 121.223 -0.506 0.000 2.591 391 L HA 0.063 4.403 4.340 -0.000 0.000 0.228 391 L C 1.257 177.809 176.870 -0.530 0.000 1.133 391 L CA 0.077 54.459 54.840 -0.764 0.000 0.880 391 L CB -0.669 40.842 42.059 -0.913 0.000 1.033 391 L HN -0.122 nan 8.230 nan 0.000 0.450 392 Q N 1.555 121.164 119.800 -0.318 0.000 2.286 392 Q HA 0.111 4.451 4.340 -0.000 0.000 0.267 392 Q C 0.460 176.418 176.000 -0.070 0.000 1.028 392 Q CA -0.308 55.367 55.803 -0.213 0.000 0.901 392 Q CB 0.860 29.421 28.738 -0.296 0.000 1.183 392 Q HN 0.356 nan 8.270 nan 0.000 0.392 393 S N 3.025 118.657 115.700 -0.113 0.000 2.596 393 S HA 0.240 4.709 4.470 -0.000 0.000 0.260 393 S C 1.174 175.723 174.600 -0.085 0.000 1.336 393 S CA -0.201 57.935 58.200 -0.108 0.000 0.993 393 S CB 1.066 64.223 63.200 -0.072 0.000 0.923 393 S HN 0.783 nan 8.310 nan 0.000 0.567 394 A N 0.711 123.437 122.820 -0.157 0.000 1.940 394 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 394 A C 1.976 179.535 177.584 -0.042 0.000 1.176 394 A CA 1.931 53.911 52.037 -0.095 0.000 0.631 394 A CB -1.098 17.811 19.000 -0.153 0.000 0.814 394 A HN 0.885 nan 8.150 nan 0.000 0.446 395 E N -2.114 118.018 120.200 -0.113 0.000 2.230 395 E HA 0.289 4.639 4.350 -0.000 0.000 0.192 395 E C 1.447 177.912 176.600 -0.226 0.000 0.987 395 E CA 1.024 57.349 56.400 -0.124 0.000 0.841 395 E CB -0.009 29.596 29.700 -0.159 0.000 0.783 395 E HN 0.748 nan 8.360 nan 0.000 0.481 396 G N -0.539 108.052 108.800 -0.347 0.000 2.480 396 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.193 396 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.193 396 G C 0.634 175.321 174.900 -0.357 0.000 1.004 396 G CA -0.374 44.594 45.100 -0.220 0.000 0.696 396 G HN 0.523 nan 8.290 nan 0.000 0.478 397 G N 0.605 108.715 108.800 -1.150 0.000 2.527 397 G HA2 0.503 4.463 3.960 -0.000 0.000 0.248 397 G HA3 0.503 4.463 3.960 -0.000 0.000 0.248 397 G C 0.209 174.999 174.900 -0.182 0.000 1.231 397 G CA -0.218 44.324 45.100 -0.930 0.000 0.838 397 G HN 0.410 nan 8.290 nan 0.000 0.570 398 I N 1.366 121.855 120.570 -0.136 0.000 2.342 398 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 398 I C 1.030 176.611 176.117 -0.893 0.000 1.010 398 I CA -0.997 59.933 61.300 -0.617 0.000 1.308 398 I CB 0.446 37.738 38.000 -1.180 0.000 1.400 398 I HN 0.529 nan 8.210 nan 0.000 0.488 399 A N 4.851 127.064 122.820 -1.012 0.000 2.267 399 A HA 0.598 4.918 4.320 -0.000 0.000 0.271 399 A C 1.408 178.347 177.584 -1.075 0.000 1.131 399 A CA 0.254 51.403 52.037 -1.480 0.000 0.818 399 A CB -0.197 18.217 19.000 -0.976 0.000 1.118 399 A HN 0.871 nan 8.150 nan 0.000 0.501 400 G N -1.237 106.956 108.800 -1.012 0.000 2.453 400 G HA2 0.378 4.338 3.960 -0.000 0.000 0.215 400 G HA3 0.378 4.338 3.960 -0.000 0.000 0.215 400 G C 0.867 175.329 174.900 -0.730 0.000 1.201 400 G CA 1.467 46.042 45.100 -0.874 0.000 0.784 400 G HN 2.054 nan 8.290 nan 0.000 0.545 401 G N -1.780 106.647 108.800 -0.622 0.000 2.441 401 G HA2 0.595 4.555 3.960 -0.000 0.000 0.222 401 G HA3 0.595 4.555 3.960 -0.000 0.000 0.222 401 G C -1.342 173.521 174.900 -0.061 0.000 1.254 401 G CA 0.251 45.189 45.100 -0.269 0.000 0.959 401 G HN 1.518 nan 8.290 nan 0.000 0.474 402 A N -1.778 121.120 122.820 0.130 0.000 2.610 402 A HA 0.948 5.268 4.320 -0.000 0.000 0.291 402 A C -0.721 176.883 177.584 0.033 0.000 1.086 402 A CA 0.554 52.690 52.037 0.164 0.000 0.677 402 A CB 1.501 20.773 19.000 0.452 0.000 1.278 402 A HN 1.926 nan 8.150 nan 0.000 0.414 403 T N -0.637 113.951 114.554 0.057 0.000 2.912 403 T HA 0.448 4.798 4.350 -0.000 0.000 0.299 403 T C 0.049 174.832 174.700 0.139 0.000 1.052 403 T CA -0.292 61.853 62.100 0.076 0.000 0.996 403 T CB 1.465 70.419 68.868 0.143 0.000 1.070 403 T HN 0.675 nan 8.240 nan 0.000 0.465 404 N N 1.867 120.636 118.700 0.116 0.000 2.336 404 N HA 0.185 4.925 4.740 -0.000 0.000 0.189 404 N C -0.293 175.373 175.510 0.260 0.000 1.113 404 N CA 0.039 53.241 53.050 0.252 0.000 0.858 404 N CB 0.429 39.061 38.487 0.242 0.000 0.970 404 N HN 0.343 nan 8.380 nan 0.000 0.471 405 S N 0.252 116.008 115.700 0.095 0.000 2.389 405 S HA 0.129 4.599 4.470 -0.000 0.000 0.201 405 S C -1.386 173.255 174.600 0.068 0.000 1.422 405 S CA -0.761 57.344 58.200 -0.158 0.000 1.216 405 S CB -0.338 62.420 63.200 -0.735 0.000 1.130 405 S HN 0.293 nan 8.310 nan 0.000 0.465 406 W N 4.649 126.004 121.300 0.092 0.000 2.308 406 W HA 0.096 4.756 4.660 -0.000 0.000 0.324 406 W C 0.098 176.623 176.519 0.010 0.000 1.387 406 W CA 0.518 57.916 57.345 0.089 0.000 1.250 406 W CB 0.043 29.640 29.460 0.229 0.000 1.257 406 W HN 0.851 nan 8.180 nan 0.000 0.554 407 N N 3.019 121.418 118.700 -0.502 0.000 2.753 407 N HA -0.204 4.536 4.740 -0.000 0.000 0.251 407 N C 0.865 176.258 175.510 -0.196 0.000 1.097 407 N CA 1.965 54.808 53.050 -0.345 0.000 0.786 407 N CB -1.552 36.838 38.487 -0.161 0.000 1.137 407 N HN 0.894 nan 8.380 nan 0.000 0.566 408 G N -0.356 108.357 108.800 -0.146 0.000 2.203 408 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.263 408 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.263 408 G C 0.566 175.384 174.900 -0.137 0.000 1.012 408 G CA 0.820 45.856 45.100 -0.106 0.000 0.749 408 G HN 0.608 nan 8.290 nan 0.000 0.512 409 R N -1.433 119.012 120.500 -0.093 0.000 2.615 409 R HA 0.305 4.644 4.340 -0.000 0.000 0.448 409 R C 0.226 176.638 176.300 0.187 0.000 1.009 409 R CA -0.565 55.584 56.100 0.081 0.000 1.111 409 R CB 0.390 30.722 30.300 0.054 0.000 1.461 409 R HN 0.415 nan 8.270 nan 0.000 0.587 410 Y N 0.753 121.160 120.300 0.179 0.000 3.225 410 Y HA -0.307 4.243 4.550 -0.000 0.000 0.211 410 Y C 0.101 176.077 175.900 0.127 0.000 1.223 410 Y CA 0.496 58.687 58.100 0.151 0.000 1.284 410 Y CB -2.114 36.392 38.460 0.076 0.000 1.367 410 Y HN 0.269 nan 8.280 nan 0.000 0.566 411 E N 0.637 120.999 120.200 0.271 0.000 2.392 411 E HA 0.148 4.498 4.350 -0.000 0.000 0.259 411 E C 0.362 177.062 176.600 0.168 0.000 1.108 411 E CA -0.948 55.591 56.400 0.232 0.000 0.916 411 E CB 0.463 30.353 29.700 0.316 0.000 0.989 411 E HN 0.005 nan 8.360 nan 0.000 0.432 412 K N 2.034 122.458 120.400 0.040 0.000 2.484 412 K HA -0.007 4.313 4.320 -0.000 0.000 0.280 412 K C -0.551 175.982 176.600 -0.111 0.000 1.013 412 K CA 0.371 56.604 56.287 -0.090 0.000 1.029 412 K CB -0.025 32.432 32.500 -0.073 0.000 0.902 412 K HN 0.332 nan 8.250 nan 0.000 0.481 413 Y N 2.633 122.782 120.300 -0.252 0.000 2.712 413 Y HA 0.023 4.573 4.550 -0.000 0.000 0.333 413 Y C -1.512 174.091 175.900 -0.495 0.000 1.225 413 Y CA -2.454 55.310 58.100 -0.559 0.000 1.499 413 Y CB -1.020 37.237 38.460 -0.338 0.000 1.288 413 Y HN 0.435 nan 8.280 nan 0.000 0.575 414 P HA 0.073 nan 4.420 nan 0.000 0.267 414 P C -0.593 176.625 177.300 -0.138 0.000 1.201 414 P CA -0.130 62.816 63.100 -0.257 0.000 0.775 414 P CB 0.520 32.072 31.700 -0.246 0.000 0.854 415 A N 2.376 125.156 122.820 -0.067 0.000 2.565 415 A HA 0.363 4.682 4.320 -0.000 0.000 0.237 415 A C 1.605 179.176 177.584 -0.021 0.000 1.053 415 A CA 0.786 52.804 52.037 -0.031 0.000 0.755 415 A CB -1.423 17.569 19.000 -0.014 0.000 0.980 415 A HN 0.927 nan 8.150 nan 0.000 0.506 416 G N 1.903 110.702 108.800 -0.003 0.000 2.184 416 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.264 416 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.264 416 G C 0.505 175.416 174.900 0.018 0.000 0.975 416 G CA 0.689 45.796 45.100 0.011 0.000 0.642 416 G HN 1.306 nan 8.290 nan 0.000 0.536 417 T N 1.417 115.967 114.554 -0.007 0.000 2.871 417 T HA 0.385 4.735 4.350 -0.000 0.000 0.296 417 T C 0.793 175.540 174.700 0.078 0.000 0.998 417 T CA 0.998 63.092 62.100 -0.010 0.000 1.162 417 T CB 1.234 70.007 68.868 -0.158 0.000 0.947 417 T HN 0.483 nan 8.240 nan 0.000 0.536 418 S N 2.589 118.377 115.700 0.146 0.000 2.564 418 S HA 0.468 4.938 4.470 -0.000 0.000 0.278 418 S C 0.429 175.259 174.600 0.383 0.000 1.333 418 S CA -0.684 57.667 58.200 0.252 0.000 1.048 418 S CB 0.187 63.517 63.200 0.215 0.000 0.900 418 S HN 0.880 nan 8.310 nan 0.000 0.505 419 T N 1.619 116.384 114.554 0.353 0.000 2.901 419 T HA 0.700 5.050 4.350 -0.000 0.000 0.293 419 T C -1.121 173.542 174.700 -0.062 0.000 1.084 419 T CA -0.728 61.500 62.100 0.212 0.000 1.008 419 T CB 1.326 70.288 68.868 0.157 0.000 1.170 419 T HN 0.480 nan 8.240 nan 0.000 0.509 420 F N 2.034 121.704 119.950 -0.467 0.000 2.659 420 F HA 0.449 4.976 4.527 -0.000 0.000 0.342 420 F C -0.823 174.909 175.800 -0.113 0.000 1.168 420 F CA -1.099 56.484 58.000 -0.695 0.000 1.003 420 F CB 0.735 38.839 39.000 -1.493 0.000 1.267 420 F HN 0.815 nan 8.300 nan 0.000 0.463 421 Y N 4.365 124.397 120.300 -0.446 0.000 3.225 421 Y HA -0.199 4.351 4.550 -0.000 0.000 0.211 421 Y C 1.454 177.324 175.900 -0.049 0.000 1.223 421 Y CA 1.352 59.295 58.100 -0.262 0.000 1.284 421 Y CB -1.215 37.027 38.460 -0.364 0.000 1.367 421 Y HN 1.137 nan 8.280 nan 0.000 0.566 422 G N -1.665 107.193 108.800 0.096 0.000 2.199 422 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.254 422 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.254 422 G C 0.299 175.389 174.900 0.317 0.000 0.982 422 G CA 0.157 45.372 45.100 0.192 0.000 0.632 422 G HN 0.390 nan 8.290 nan 0.000 0.529 423 M N 1.217 120.963 119.600 0.245 0.000 2.277 423 M HA 0.599 5.079 4.480 -0.000 0.000 0.350 423 M C 0.679 177.032 176.300 0.088 0.000 1.180 423 M CA -0.016 55.417 55.300 0.223 0.000 1.103 423 M CB 1.628 34.347 32.600 0.197 0.000 1.577 423 M HN 0.406 nan 8.290 nan 0.000 0.459 424 A N 2.913 125.620 122.820 -0.188 0.000 2.366 424 A HA 0.245 4.565 4.320 -0.000 0.000 0.272 424 A C -0.889 176.808 177.584 0.188 0.000 1.135 424 A CA -0.380 51.482 52.037 -0.292 0.000 0.804 424 A CB 0.012 18.501 19.000 -0.853 0.000 1.064 424 A HN 0.758 nan 8.150 nan 0.000 0.499 425 Y N 3.372 123.833 120.300 0.269 0.000 2.610 425 Y HA 0.331 4.881 4.550 -0.000 0.000 0.332 425 Y C 0.149 176.118 175.900 0.116 0.000 1.201 425 Y CA 0.702 58.956 58.100 0.256 0.000 1.465 425 Y CB 0.607 39.125 38.460 0.096 0.000 1.283 425 Y HN 0.851 nan 8.280 nan 0.000 0.563 426 V N 5.900 125.272 119.914 -0.903 0.000 2.686 426 V HA 0.466 4.586 4.120 -0.000 0.000 0.306 426 V C -2.493 172.819 176.094 -1.303 0.000 1.065 426 V CA -2.092 59.654 62.300 -0.925 0.000 0.894 426 V CB 1.976 33.473 31.823 -0.542 0.000 1.004 426 V HN 0.647 nan 8.190 nan 0.000 0.424 427 P HA -0.040 nan 4.420 nan 0.000 0.219 427 P C 0.247 176.945 177.300 -1.003 0.000 1.150 427 P CA 1.319 63.870 63.100 -0.915 0.000 0.814 427 P CB 0.009 31.438 31.700 -0.452 0.000 0.787 428 H N -1.001 117.817 119.070 -0.421 0.000 2.448 428 H HA 0.357 4.913 4.556 -0.000 0.000 0.237 428 H C -2.443 172.637 175.328 -0.414 0.000 1.391 428 H CA -2.293 53.564 56.048 -0.319 0.000 1.477 428 H CB 0.484 30.155 29.762 -0.151 0.000 1.520 428 H HN 0.106 nan 8.280 nan 0.000 0.502 429 P HA -0.078 nan 4.420 nan 0.000 0.266 429 P C 1.148 178.014 177.300 -0.724 0.000 1.195 429 P CA 0.418 63.199 63.100 -0.532 0.000 0.768 429 P CB 1.310 32.742 31.700 -0.446 0.000 0.838 430 V N 0.800 120.171 119.914 -0.905 0.000 0.481 430 V HA -0.317 3.803 4.120 -0.000 0.000 0.092 430 V C 0.251 175.757 176.094 -0.980 0.000 2.400 430 V CA 1.574 63.153 62.300 -1.202 0.000 3.646 430 V CB -2.278 28.323 31.823 -2.037 0.000 0.927 430 V HN 0.551 nan 8.190 nan 0.000 0.973 431 Y N -1.611 118.370 120.300 -0.532 0.000 2.462 431 Y HA 0.756 5.306 4.550 -0.000 0.000 0.346 431 Y C 0.421 176.193 175.900 -0.213 0.000 0.976 431 Y CA -0.228 57.669 58.100 -0.339 0.000 1.044 431 Y CB 1.979 40.240 38.460 -0.331 0.000 1.230 431 Y HN 0.123 nan 8.280 nan 0.000 0.455 432 A N 0.674 123.505 122.820 0.019 0.000 2.382 432 A HA 0.139 4.459 4.320 -0.000 0.000 0.228 432 A C -0.202 177.367 177.584 -0.025 0.000 1.217 432 A CA 0.230 52.240 52.037 -0.046 0.000 0.923 432 A CB 0.281 19.250 19.000 -0.051 0.000 0.979 432 A HN 0.614 nan 8.150 nan 0.000 0.515 433 D N 1.000 121.415 120.400 0.025 0.000 2.378 433 D HA 0.429 5.069 4.640 -0.000 0.000 0.265 433 D C -2.928 173.408 176.300 0.061 0.000 1.229 433 D CA -1.568 52.461 54.000 0.047 0.000 0.914 433 D CB 1.405 42.252 40.800 0.077 0.000 1.140 433 D HN 0.071 nan 8.370 nan 0.000 0.516 434 P HA 0.354 nan 4.420 nan 0.000 0.277 434 P C 0.349 177.656 177.300 0.011 0.000 1.271 434 P CA -0.567 62.562 63.100 0.048 0.000 0.795 434 P CB 0.600 32.356 31.700 0.092 0.000 1.101 435 G N 0.047 108.770 108.800 -0.127 0.000 2.265 435 G HA2 0.118 4.078 3.960 -0.000 0.000 0.240 435 G HA3 0.118 4.078 3.960 -0.000 0.000 0.240 435 G C 1.102 176.101 174.900 0.165 0.000 1.270 435 G CA 0.173 45.069 45.100 -0.340 0.000 0.901 435 G HN 0.526 nan 8.290 nan 0.000 0.507 436 S N 1.156 117.033 115.700 0.296 0.000 2.537 436 S HA -0.110 4.360 4.470 -0.000 0.000 0.240 436 S C 1.456 176.502 174.600 0.743 0.000 0.981 436 S CA 1.037 59.504 58.200 0.446 0.000 0.948 436 S CB 0.022 63.337 63.200 0.192 0.000 0.759 436 S HN 0.539 nan 8.310 nan 0.000 0.531 437 N N 0.716 119.885 118.700 0.782 0.000 2.235 437 N HA 0.191 4.931 4.740 -0.000 0.000 0.231 437 N C 1.151 177.178 175.510 0.861 0.000 1.177 437 N CA -0.151 53.327 53.050 0.714 0.000 0.874 437 N CB 0.027 38.563 38.487 0.081 0.000 1.097 437 N HN 0.573 nan 8.380 nan 0.000 0.518 438 Q N -0.955 119.311 119.800 0.777 0.000 2.167 438 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 438 Q C -0.248 176.120 176.000 0.613 0.000 0.970 438 Q CA 0.644 56.821 55.803 0.624 0.000 0.855 438 Q CB 0.033 29.016 28.738 0.408 0.000 0.911 438 Q HN 0.373 nan 8.270 nan 0.000 0.438 439 W N 0.806 122.349 121.300 0.405 0.000 2.446 439 W HA 0.020 4.679 4.660 -0.001 0.000 0.316 439 W C 0.421 177.136 176.519 0.327 0.000 1.376 439 W CA -0.792 56.704 57.345 0.251 0.000 1.300 439 W CB 0.002 29.461 29.460 -0.002 0.000 1.351 439 W HN 0.153 nan 8.180 nan 0.000 0.530 440 F N 4.928 124.833 119.950 -0.076 0.000 2.250 440 F HA -0.075 4.452 4.527 0.000 0.000 0.301 440 F C 1.997 177.467 175.800 -0.551 0.000 1.077 440 F CA 2.276 60.198 58.000 -0.130 0.000 1.348 440 F CB -0.488 38.462 39.000 -0.082 0.000 1.040 440 F HN 0.456 nan 8.300 nan 0.000 0.509 441 G N -0.113 107.586 108.800 -1.836 0.000 2.469 441 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 441 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 441 G C 1.736 175.717 174.900 -1.532 0.000 1.150 441 G CA 1.035 44.703 45.100 -2.387 0.000 0.763 441 G HN 0.472 nan 8.290 nan 0.000 0.561 442 F N 0.691 120.123 119.950 -0.865 0.000 2.202 442 F HA -0.148 4.378 4.527 -0.000 0.000 0.301 442 F C 3.103 178.907 175.800 0.007 0.000 1.082 442 F CA 0.956 58.805 58.000 -0.252 0.000 1.313 442 F CB 0.027 38.992 39.000 -0.058 0.000 1.024 442 F HN 0.083 nan 8.300 nan 0.000 0.495 443 Q N 0.475 120.405 119.800 0.216 0.000 2.045 443 Q HA -0.229 4.111 4.340 -0.000 0.000 0.206 443 Q C 2.586 178.741 176.000 0.259 0.000 0.991 443 Q CA 1.786 57.807 55.803 0.364 0.000 0.851 443 Q CB -1.080 27.702 28.738 0.073 0.000 0.911 443 Q HN 0.469 nan 8.270 nan 0.000 0.418 444 A N 0.218 123.033 122.820 -0.008 0.000 1.855 444 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 444 A C 1.867 179.650 177.584 0.331 0.000 1.191 444 A CA 1.216 53.389 52.037 0.226 0.000 0.613 444 A CB -1.096 18.012 19.000 0.180 0.000 0.829 444 A HN 0.388 nan 8.150 nan 0.000 0.442 445 W N 0.176 121.531 121.300 0.091 0.000 2.304 445 W HA -0.170 4.490 4.660 0.000 0.000 0.315 445 W C 3.019 179.615 176.519 0.129 0.000 1.233 445 W CA 1.453 58.887 57.345 0.148 0.000 1.261 445 W CB -1.185 28.363 29.460 0.145 0.000 1.150 445 W HN 0.372 nan 8.180 nan 0.000 0.494 446 S N -1.585 114.344 115.700 0.381 0.000 2.404 446 S HA -0.045 4.425 4.470 -0.000 0.000 0.223 446 S C 1.896 176.637 174.600 0.236 0.000 1.040 446 S CA 0.810 59.209 58.200 0.332 0.000 0.957 446 S CB -0.307 63.084 63.200 0.317 0.000 0.826 446 S HN -0.110 nan 8.310 nan 0.000 0.491 447 M N 1.707 121.337 119.600 0.051 0.000 2.279 447 M HA -0.018 4.462 4.480 -0.000 0.000 0.264 447 M C 2.174 178.330 176.300 -0.239 0.000 1.062 447 M CA 1.075 56.151 55.300 -0.374 0.000 1.099 447 M CB -1.332 30.507 32.600 -1.269 0.000 1.394 447 M HN 0.430 nan 8.290 nan 0.000 0.426 448 Q N 1.027 120.810 119.800 -0.029 0.000 2.135 448 Q HA -0.181 4.158 4.340 -0.000 0.000 0.204 448 Q C 1.926 177.955 176.000 0.048 0.000 0.981 448 Q CA 1.651 57.507 55.803 0.087 0.000 0.856 448 Q CB -0.110 28.772 28.738 0.241 0.000 0.902 448 Q HN 0.497 nan 8.270 nan 0.000 0.425 449 R N -0.792 119.730 120.500 0.036 0.000 2.073 449 R HA -0.046 4.293 4.340 -0.000 0.000 0.229 449 R C 2.485 178.795 176.300 0.016 0.000 1.120 449 R CA 1.229 57.343 56.100 0.023 0.000 0.967 449 R CB -0.237 30.114 30.300 0.085 0.000 0.862 449 R HN 0.067 nan 8.270 nan 0.000 0.436 450 V N 1.117 120.973 119.914 -0.097 0.000 2.332 450 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 450 V C 2.321 178.436 176.094 0.035 0.000 1.055 450 V CA 1.562 63.778 62.300 -0.139 0.000 1.038 450 V CB -0.380 31.167 31.823 -0.460 0.000 0.651 450 V HN 0.273 nan 8.190 nan 0.000 0.450 451 M N -0.410 119.203 119.600 0.023 0.000 2.080 451 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 451 M C 2.157 178.532 176.300 0.125 0.000 1.068 451 M CA 1.540 56.923 55.300 0.138 0.000 1.109 451 M CB -1.412 31.280 32.600 0.154 0.000 1.342 451 M HN 0.439 nan 8.290 nan 0.000 0.405 452 E N -0.807 119.400 120.200 0.011 0.000 2.070 452 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 452 E C 2.019 178.607 176.600 -0.019 0.000 1.004 452 E CA 1.747 58.074 56.400 -0.120 0.000 0.805 452 E CB -0.529 28.831 29.700 -0.567 0.000 0.744 452 E HN 0.542 nan 8.360 nan 0.000 0.451 453 Y N 0.482 120.799 120.300 0.028 0.000 2.081 453 Y HA -0.358 4.192 4.550 -0.000 0.000 0.280 453 Y C 2.270 178.070 175.900 -0.167 0.000 1.163 453 Y CA 2.052 60.130 58.100 -0.037 0.000 1.135 453 Y CB -0.597 37.836 38.460 -0.045 0.000 0.970 453 Y HN 0.101 nan 8.280 nan 0.000 0.498 454 Y N 0.226 120.397 120.300 -0.216 0.000 2.181 454 Y HA -0.247 4.303 4.550 -0.000 0.000 0.288 454 Y C 2.486 178.263 175.900 -0.205 0.000 1.146 454 Y CA 1.642 59.569 58.100 -0.289 0.000 1.164 454 Y CB -0.760 37.672 38.460 -0.046 0.000 0.982 454 Y HN 0.292 nan 8.280 nan 0.000 0.515 455 L N -0.006 121.189 121.223 -0.047 0.000 2.013 455 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 455 L C 2.106 179.100 176.870 0.206 0.000 1.073 455 L CA 2.118 57.009 54.840 0.085 0.000 0.753 455 L CB -0.345 41.766 42.059 0.086 0.000 0.890 455 L HN 0.279 nan 8.230 nan 0.000 0.432 456 E N -0.981 119.204 120.200 -0.025 0.000 2.285 456 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 456 E C 1.901 178.356 176.600 -0.242 0.000 0.997 456 E CA 1.521 57.883 56.400 -0.064 0.000 0.845 456 E CB 0.052 29.595 29.700 -0.263 0.000 0.782 456 E HN 0.663 nan 8.360 nan 0.000 0.491 457 T N -4.120 110.029 114.554 -0.674 0.000 3.000 457 T HA 0.286 4.636 4.350 -0.000 0.000 0.248 457 T C 1.654 175.633 174.700 -1.201 0.000 1.034 457 T CA 0.706 62.336 62.100 -0.784 0.000 1.060 457 T CB 0.509 68.740 68.868 -1.063 0.000 0.983 457 T HN 0.162 nan 8.240 nan 0.000 0.482 458 G N 2.069 109.719 108.800 -1.916 0.000 2.168 458 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.263 458 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.263 458 G C -0.126 174.215 174.900 -0.932 0.000 0.977 458 G CA 0.279 43.856 45.100 -2.538 0.000 0.659 458 G HN 0.795 nan 8.290 nan 0.000 0.533 459 D N 0.585 120.657 120.400 -0.547 0.000 2.426 459 D HA 0.378 5.018 4.640 -0.000 0.000 0.261 459 D C 1.502 177.865 176.300 0.105 0.000 1.245 459 D CA 0.686 54.609 54.000 -0.129 0.000 0.917 459 D CB 0.415 41.205 40.800 -0.016 0.000 1.123 459 D HN 0.089 nan 8.370 nan 0.000 0.508 460 S N 1.831 117.579 115.700 0.078 0.000 2.481 460 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 460 S C 1.987 176.631 174.600 0.073 0.000 0.996 460 S CA 0.754 59.016 58.200 0.102 0.000 0.942 460 S CB -0.081 63.170 63.200 0.085 0.000 0.768 460 S HN 0.684 nan 8.310 nan 0.000 0.520 461 S N 0.646 116.404 115.700 0.096 0.000 2.465 461 S HA -0.001 4.469 4.470 -0.000 0.000 0.241 461 S C 1.389 176.037 174.600 0.080 0.000 1.000 461 S CA 0.645 58.907 58.200 0.104 0.000 0.964 461 S CB -0.272 63.007 63.200 0.131 0.000 0.763 461 S HN 0.302 nan 8.310 nan 0.000 0.512 462 V N 0.663 120.604 119.914 0.045 0.000 3.621 462 V HA 0.268 4.388 4.120 -0.000 0.000 0.285 462 V C 2.165 178.152 176.094 -0.179 0.000 1.346 462 V CA 0.375 62.657 62.300 -0.031 0.000 1.104 462 V CB 0.031 31.890 31.823 0.059 0.000 0.913 462 V HN 0.458 nan 8.190 nan 0.000 0.432 463 K N 0.679 120.965 120.400 -0.191 0.000 2.025 463 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 463 K C 1.931 178.474 176.600 -0.095 0.000 1.049 463 K CA 1.727 57.867 56.287 -0.246 0.000 0.933 463 K CB 0.011 32.440 32.500 -0.118 0.000 0.714 463 K HN 0.399 nan 8.250 nan 0.000 0.438 464 N N 1.179 119.864 118.700 -0.026 0.000 2.120 464 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 464 N C 1.726 177.216 175.510 -0.033 0.000 1.024 464 N CA 1.078 54.135 53.050 0.012 0.000 0.852 464 N CB -0.424 38.103 38.487 0.066 0.000 1.003 464 N HN 0.164 nan 8.380 nan 0.000 0.424 465 L N 1.199 122.365 121.223 -0.095 0.000 1.990 465 L HA -0.085 4.255 4.340 -0.000 0.000 0.213 465 L C 1.989 178.823 176.870 -0.060 0.000 1.072 465 L CA 1.484 56.240 54.840 -0.139 0.000 0.755 465 L CB -0.615 41.348 42.059 -0.159 0.000 0.889 465 L HN 0.109 nan 8.230 nan 0.000 0.432 466 I N -0.614 119.903 120.570 -0.088 0.000 2.179 466 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 466 I C 2.466 178.573 176.117 -0.015 0.000 1.088 466 I CA 1.151 62.413 61.300 -0.062 0.000 1.357 466 I CB -0.440 37.477 38.000 -0.138 0.000 1.051 466 I HN 0.263 nan 8.210 nan 0.000 0.409 467 K N 0.854 121.246 120.400 -0.014 0.000 2.032 467 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 467 K C 2.063 178.695 176.600 0.052 0.000 1.048 467 K CA 1.433 57.727 56.287 0.013 0.000 0.927 467 K CB -0.478 32.067 32.500 0.075 0.000 0.712 467 K HN 0.271 nan 8.250 nan 0.000 0.441 468 K N -0.250 120.200 120.400 0.084 0.000 2.057 468 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 468 K C 2.051 178.762 176.600 0.185 0.000 1.049 468 K CA 1.375 57.731 56.287 0.115 0.000 0.931 468 K CB -0.245 32.313 32.500 0.098 0.000 0.714 468 K HN 0.181 nan 8.250 nan 0.000 0.440 469 W N 0.626 121.944 121.300 0.030 0.000 2.358 469 W HA -0.198 4.462 4.660 0.000 0.000 0.303 469 W C 1.560 178.175 176.519 0.160 0.000 1.208 469 W CA 1.249 58.676 57.345 0.138 0.000 1.274 469 W CB -0.275 29.232 29.460 0.079 0.000 1.138 469 W HN -0.175 nan 8.180 nan 0.000 0.515 470 V N 1.091 121.108 119.914 0.172 0.000 2.287 470 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 470 V C 2.056 178.083 176.094 -0.112 0.000 1.053 470 V CA 2.434 64.681 62.300 -0.088 0.000 1.027 470 V CB -1.059 30.579 31.823 -0.310 0.000 0.646 470 V HN 0.064 nan 8.190 nan 0.000 0.447 471 D N -1.232 119.158 120.400 -0.017 0.000 2.123 471 D HA -0.233 4.406 4.640 -0.000 0.000 0.196 471 D C 1.678 177.987 176.300 0.016 0.000 0.992 471 D CA 1.501 55.508 54.000 0.012 0.000 0.833 471 D CB -0.342 40.495 40.800 0.060 0.000 0.954 471 D HN 0.669 nan 8.370 nan 0.000 0.455 472 W N 1.273 122.473 121.300 -0.166 0.000 2.355 472 W HA -0.160 4.500 4.660 -0.001 0.000 0.309 472 W C 2.129 178.504 176.519 -0.240 0.000 1.206 472 W CA 0.965 58.201 57.345 -0.183 0.000 1.284 472 W CB -0.646 28.697 29.460 -0.194 0.000 1.145 472 W HN -0.201 nan 8.180 nan 0.000 0.502 473 V N 1.123 120.708 119.914 -0.549 0.000 2.379 473 V HA -0.307 3.813 4.120 -0.000 0.000 0.245 473 V C 2.422 178.245 176.094 -0.451 0.000 1.044 473 V CA 2.038 63.893 62.300 -0.742 0.000 1.036 473 V CB -0.658 30.635 31.823 -0.883 0.000 0.664 473 V HN 0.104 nan 8.190 nan 0.000 0.453 474 M N 0.579 120.007 119.600 -0.286 0.000 2.144 474 M HA -0.142 4.337 4.480 -0.000 0.000 0.260 474 M C 2.388 178.584 176.300 -0.173 0.000 1.067 474 M CA 2.319 57.515 55.300 -0.174 0.000 1.095 474 M CB -1.582 30.960 32.600 -0.096 0.000 1.365 474 M HN 0.631 nan 8.290 nan 0.000 0.406 475 S N -0.933 114.654 115.700 -0.188 0.000 2.561 475 S HA -0.013 4.457 4.470 -0.000 0.000 0.225 475 S C 1.453 175.927 174.600 -0.210 0.000 0.977 475 S CA 0.576 58.683 58.200 -0.156 0.000 0.926 475 S CB -0.020 63.128 63.200 -0.087 0.000 0.769 475 S HN 0.403 nan 8.310 nan 0.000 0.533 476 E N 0.488 120.497 120.200 -0.319 0.000 2.434 476 E HA 0.365 4.715 4.350 -0.000 0.000 0.207 476 E C 0.217 176.677 176.600 -0.233 0.000 0.929 476 E CA -0.123 56.095 56.400 -0.304 0.000 1.001 476 E CB 0.268 29.632 29.700 -0.559 0.000 1.016 476 E HN 0.568 nan 8.360 nan 0.000 0.502 477 I N 2.117 122.546 120.570 -0.235 0.000 2.588 477 I HA -0.021 4.149 4.170 -0.000 0.000 0.283 477 I C 0.458 176.467 176.117 -0.180 0.000 1.119 477 I CA 0.478 61.685 61.300 -0.156 0.000 1.419 477 I CB 0.453 38.389 38.000 -0.107 0.000 1.394 477 I HN -0.393 nan 8.210 nan 0.000 0.562 478 K N 7.444 127.735 120.400 -0.182 0.000 2.339 478 K HA 0.567 4.887 4.320 -0.000 0.000 0.264 478 K C -1.219 175.180 176.600 -0.335 0.000 0.986 478 K CA -0.482 55.578 56.287 -0.378 0.000 0.866 478 K CB 1.398 33.581 32.500 -0.528 0.000 1.103 478 K HN 0.454 nan 8.250 nan 0.000 0.441 479 L N 4.325 125.339 121.223 -0.349 0.000 2.305 479 L HA 0.445 4.785 4.340 -0.000 0.000 0.284 479 L C -0.778 175.918 176.870 -0.291 0.000 1.013 479 L CA -1.038 53.694 54.840 -0.181 0.000 0.819 479 L CB 0.489 42.510 42.059 -0.064 0.000 1.227 479 L HN 0.492 nan 8.230 nan 0.000 0.417 480 Y N 1.001 121.333 120.300 0.054 0.000 2.352 480 Y HA 0.152 4.702 4.550 -0.000 0.000 0.326 480 Y C 1.168 177.087 175.900 0.031 0.000 1.166 480 Y CA -0.602 57.514 58.100 0.026 0.000 1.182 480 Y CB 1.142 39.614 38.460 0.020 0.000 1.216 480 Y HN 0.550 nan 8.280 nan 0.000 0.474 481 D N 0.684 121.188 120.400 0.173 0.000 2.221 481 D HA -0.174 4.466 4.640 -0.000 0.000 0.204 481 D C 1.199 177.557 176.300 0.097 0.000 0.982 481 D CA 1.543 55.601 54.000 0.096 0.000 0.857 481 D CB -0.216 40.623 40.800 0.064 0.000 0.934 481 D HN 0.708 nan 8.370 nan 0.000 0.475 482 D N -0.818 119.656 120.400 0.123 0.000 2.336 482 D HA 0.082 4.722 4.640 -0.000 0.000 0.229 482 D C 1.477 177.866 176.300 0.147 0.000 1.061 482 D CA 0.726 54.786 54.000 0.101 0.000 0.875 482 D CB -0.326 40.508 40.800 0.058 0.000 0.904 482 D HN 0.198 nan 8.370 nan 0.000 0.525 483 G N -0.038 108.868 108.800 0.177 0.000 2.179 483 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 483 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 483 G C 0.558 175.650 174.900 0.321 0.000 0.977 483 G CA 0.750 45.984 45.100 0.224 0.000 0.641 483 G HN 0.793 nan 8.290 nan 0.000 0.533 484 T N -1.176 113.561 114.554 0.305 0.000 2.770 484 T HA 0.769 5.119 4.350 -0.000 0.000 0.281 484 T C 0.039 175.074 174.700 0.559 0.000 0.981 484 T CA 0.090 62.409 62.100 0.364 0.000 0.955 484 T CB 1.871 70.829 68.868 0.149 0.000 1.060 484 T HN 1.581 nan 8.240 nan 0.000 0.531 485 F N -2.009 118.154 119.950 0.355 0.000 2.662 485 F HA 0.844 5.371 4.527 0.000 0.000 0.312 485 F C -1.250 174.735 175.800 0.308 0.000 1.113 485 F CA -1.553 56.624 58.000 0.296 0.000 0.951 485 F CB 1.080 40.191 39.000 0.184 0.000 1.344 485 F HN 0.910 nan 8.300 nan 0.000 0.462 486 A N 2.429 125.282 122.820 0.054 0.000 2.486 486 A HA 0.840 5.160 4.320 -0.000 0.000 0.300 486 A C -1.181 176.464 177.584 0.101 0.000 1.048 486 A CA -0.748 51.234 52.037 -0.091 0.000 0.696 486 A CB 1.444 20.466 19.000 0.037 0.000 1.278 486 A HN 1.237 nan 8.150 nan 0.000 0.405 487 I N -1.140 119.495 120.570 0.109 0.000 2.957 487 I HA 0.723 4.893 4.170 -0.000 0.000 0.310 487 I C -2.872 173.198 176.117 -0.077 0.000 1.063 487 I CA -3.177 58.144 61.300 0.036 0.000 1.033 487 I CB 2.084 40.134 38.000 0.083 0.000 1.230 487 I HN 0.229 nan 8.210 nan 0.000 0.447 488 P HA 0.050 nan 4.420 nan 0.000 0.266 488 P C -0.166 176.873 177.300 -0.435 0.000 1.195 488 P CA 0.238 62.899 63.100 -0.732 0.000 0.768 488 P CB 1.004 31.924 31.700 -1.300 0.000 0.838 489 S N 0.842 116.398 115.700 -0.239 0.000 2.807 489 S HA 0.114 4.584 4.470 -0.000 0.000 0.247 489 S C 0.002 174.699 174.600 0.162 0.000 1.078 489 S CA 0.237 58.461 58.200 0.040 0.000 0.867 489 S CB 0.103 63.338 63.200 0.058 0.000 0.797 489 S HN 0.394 nan 8.310 nan 0.000 0.515 490 D N 1.018 121.452 120.400 0.057 0.000 2.481 490 D HA 0.568 5.207 4.640 -0.000 0.000 0.244 490 D C -1.335 175.020 176.300 0.092 0.000 1.057 490 D CA -0.306 53.779 54.000 0.142 0.000 0.848 490 D CB 1.847 42.708 40.800 0.102 0.000 1.388 490 D HN 0.113 nan 8.370 nan 0.000 0.475 491 L N 1.057 122.398 121.223 0.195 0.000 2.354 491 L HA 0.472 4.812 4.340 -0.000 0.000 0.269 491 L C -0.057 176.846 176.870 0.054 0.000 1.005 491 L CA -0.671 54.224 54.840 0.092 0.000 0.819 491 L CB 1.659 43.862 42.059 0.241 0.000 1.311 491 L HN 0.386 nan 8.230 nan 0.000 0.423 492 E N 1.053 121.154 120.200 -0.165 0.000 2.248 492 E HA 0.472 4.822 4.350 -0.000 0.000 0.267 492 E C -1.885 174.540 176.600 -0.292 0.000 0.877 492 E CA -0.529 55.841 56.400 -0.051 0.000 0.759 492 E CB 1.432 31.132 29.700 -0.000 0.000 1.182 492 E HN 0.463 nan 8.360 nan 0.000 0.418 493 W N 1.979 123.354 121.300 0.125 0.000 2.761 493 W HA 0.495 5.155 4.660 0.000 0.000 0.340 493 W C -0.414 176.152 176.519 0.077 0.000 1.072 493 W CA -0.475 56.908 57.345 0.064 0.000 1.215 493 W CB 2.132 31.585 29.460 -0.011 0.000 1.420 493 W HN 0.472 nan 8.180 nan 0.000 0.519 494 S N 1.658 117.541 115.700 0.304 0.000 2.556 494 S HA 0.908 5.377 4.470 -0.000 0.000 0.271 494 S C -0.126 174.582 174.600 0.180 0.000 1.135 494 S CA -0.188 58.145 58.200 0.222 0.000 0.858 494 S CB 1.529 64.829 63.200 0.165 0.000 1.114 494 S HN 1.708 nan 8.310 nan 0.000 0.468 495 G N 1.294 110.170 108.800 0.127 0.000 2.632 495 G HA2 0.040 4.000 3.960 -0.000 0.000 0.224 495 G HA3 0.040 4.000 3.960 -0.000 0.000 0.224 495 G C -1.247 173.605 174.900 -0.081 0.000 1.341 495 G CA -0.339 44.782 45.100 0.034 0.000 0.880 495 G HN 1.021 nan 8.290 nan 0.000 0.566 496 Q N 0.223 119.875 119.800 -0.248 0.000 2.377 496 Q HA 0.495 4.835 4.340 -0.000 0.000 0.279 496 Q C -2.528 173.129 176.000 -0.572 0.000 1.049 496 Q CA -1.690 53.766 55.803 -0.579 0.000 0.825 496 Q CB 3.404 31.963 28.738 -0.298 0.000 1.401 496 Q HN 0.585 nan 8.270 nan 0.000 0.404 497 P HA -0.034 nan 4.420 nan 0.000 0.271 497 P C -0.805 176.359 177.300 -0.228 0.000 1.233 497 P CA -0.117 62.647 63.100 -0.560 0.000 0.789 497 P CB 0.636 31.740 31.700 -0.994 0.000 0.951 498 D N 0.278 120.646 120.400 -0.053 0.000 2.399 498 D HA 0.050 4.690 4.640 -0.000 0.000 0.241 498 D C 0.319 176.828 176.300 0.348 0.000 1.133 498 D CA 0.482 54.536 54.000 0.089 0.000 0.890 498 D CB -0.057 40.771 40.800 0.047 0.000 1.201 498 D HN 0.225 nan 8.370 nan 0.000 0.432 499 T N 1.959 116.692 114.554 0.298 0.000 2.891 499 T HA -0.142 4.208 4.350 -0.000 0.000 0.296 499 T C 0.378 175.296 174.700 0.363 0.000 1.025 499 T CA 0.047 62.362 62.100 0.359 0.000 1.149 499 T CB 0.190 69.154 68.868 0.161 0.000 1.007 499 T HN 0.257 nan 8.240 nan 0.000 0.528 500 W N 3.093 124.450 121.300 0.095 0.000 2.251 500 W HA 0.144 4.804 4.660 -0.000 0.000 0.327 500 W C 0.465 176.888 176.519 -0.159 0.000 1.361 500 W CA -0.087 57.236 57.345 -0.035 0.000 1.234 500 W CB 0.558 29.815 29.460 -0.338 0.000 1.212 500 W HN 0.566 nan 8.180 nan 0.000 0.557 501 T N 3.543 117.637 114.554 -0.767 0.000 3.332 501 T HA 0.231 4.581 4.350 -0.000 0.000 0.304 501 T C 0.796 174.986 174.700 -0.850 0.000 0.971 501 T CA 0.551 62.268 62.100 -0.639 0.000 0.954 501 T CB -0.446 68.219 68.868 -0.337 0.000 1.175 501 T HN 0.865 nan 8.240 nan 0.000 0.519 502 G N 1.176 109.013 108.800 -1.606 0.000 2.194 502 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.236 502 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.236 502 G C 0.171 174.578 174.900 -0.822 0.000 0.987 502 G CA 0.263 44.780 45.100 -0.971 0.000 0.635 502 G HN 0.619 nan 8.290 nan 0.000 0.520 503 T N -0.164 113.764 114.554 -1.044 0.000 2.952 503 T HA 0.465 4.815 4.350 -0.000 0.000 0.305 503 T C -1.071 173.527 174.700 -0.171 0.000 1.064 503 T CA -0.561 61.311 62.100 -0.381 0.000 1.008 503 T CB 2.144 70.893 68.868 -0.199 0.000 1.078 503 T HN 0.486 nan 8.240 nan 0.000 0.459 504 Y N 3.114 123.479 120.300 0.108 0.000 2.544 504 Y HA 0.223 4.773 4.550 -0.000 0.000 0.330 504 Y C 1.766 177.725 175.900 0.099 0.000 1.136 504 Y CA 0.026 58.277 58.100 0.252 0.000 1.417 504 Y CB 0.721 39.335 38.460 0.258 0.000 1.229 504 Y HN 0.812 nan 8.280 nan 0.000 0.532 505 T N 0.925 115.255 114.554 -0.373 0.000 3.065 505 T HA 0.277 4.627 4.350 -0.000 0.000 0.252 505 T C 1.422 175.763 174.700 -0.600 0.000 1.099 505 T CA 0.496 62.371 62.100 -0.376 0.000 1.063 505 T CB -0.228 68.517 68.868 -0.205 0.000 0.948 505 T HN 1.245 nan 8.240 nan 0.000 0.506 506 G N 1.866 109.859 108.800 -1.345 0.000 2.234 506 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.235 506 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.235 506 G C 0.248 174.868 174.900 -0.466 0.000 0.997 506 G CA -0.103 44.484 45.100 -0.855 0.000 0.623 506 G HN 0.599 nan 8.290 nan 0.000 0.514 507 N N -0.330 118.123 118.700 -0.411 0.000 2.669 507 N HA -0.145 4.595 4.740 -0.000 0.000 0.266 507 N C -1.128 174.239 175.510 -0.238 0.000 1.024 507 N CA 1.344 54.250 53.050 -0.240 0.000 0.766 507 N CB -0.376 38.007 38.487 -0.172 0.000 0.898 507 N HN 0.503 nan 8.380 nan 0.000 0.548 508 P HA -0.053 nan 4.420 nan 0.000 0.234 508 P C 0.174 177.361 177.300 -0.190 0.000 1.167 508 P CA 1.058 64.066 63.100 -0.154 0.000 0.763 508 P CB 0.169 31.821 31.700 -0.080 0.000 0.835 509 N N -1.000 117.567 118.700 -0.221 0.000 2.204 509 N HA 0.140 4.880 4.740 -0.000 0.000 0.219 509 N C -0.379 174.944 175.510 -0.312 0.000 1.151 509 N CA -0.314 52.628 53.050 -0.179 0.000 0.867 509 N CB 0.199 38.650 38.487 -0.061 0.000 1.043 509 N HN 0.011 nan 8.380 nan 0.000 0.516 510 L N 1.665 122.590 121.223 -0.498 0.000 2.280 510 L HA 0.363 4.703 4.340 -0.000 0.000 0.287 510 L C -1.123 175.438 176.870 -0.516 0.000 1.023 510 L CA -0.616 53.991 54.840 -0.389 0.000 0.819 510 L CB 0.196 42.050 42.059 -0.342 0.000 1.212 510 L HN 0.134 nan 8.230 nan 0.000 0.420 511 H N 3.771 122.848 119.070 0.011 0.000 2.572 511 H HA 0.580 5.136 4.556 0.000 0.000 0.359 511 H C -1.032 174.208 175.328 -0.147 0.000 1.134 511 H CA -0.674 55.342 56.048 -0.054 0.000 1.187 511 H CB 2.603 32.334 29.762 -0.052 0.000 1.597 511 H HN 0.431 nan 8.280 nan 0.000 0.524 512 V N 2.897 122.643 119.914 -0.281 0.000 2.628 512 V HA 0.482 4.602 4.120 -0.000 0.000 0.306 512 V C -0.536 175.365 176.094 -0.322 0.000 1.045 512 V CA -0.692 61.166 62.300 -0.737 0.000 0.905 512 V CB 2.180 33.202 31.823 -1.335 0.000 0.997 512 V HN 0.772 nan 8.190 nan 0.000 0.436 513 R N 4.429 124.757 120.500 -0.287 0.000 2.561 513 R HA 0.670 5.010 4.340 -0.000 0.000 0.297 513 R C -1.690 174.554 176.300 -0.094 0.000 0.969 513 R CA -0.600 55.438 56.100 -0.103 0.000 0.879 513 R CB 2.176 32.434 30.300 -0.070 0.000 1.178 513 R HN 0.596 nan 8.270 nan 0.000 0.445 514 V N 4.170 124.058 119.914 -0.044 0.000 2.439 514 V HA 0.067 4.187 4.120 -0.000 0.000 0.271 514 V C 1.330 177.307 176.094 -0.195 0.000 1.040 514 V CA 0.285 62.484 62.300 -0.168 0.000 1.002 514 V CB 1.090 32.708 31.823 -0.343 0.000 1.000 514 V HN 1.029 nan 8.190 nan 0.000 0.477 515 T N -0.091 114.362 114.554 -0.168 0.000 3.040 515 T HA 0.228 4.577 4.350 -0.000 0.000 0.250 515 T C 0.534 175.164 174.700 -0.116 0.000 1.058 515 T CA 0.409 62.451 62.100 -0.096 0.000 0.988 515 T CB 0.177 69.029 68.868 -0.025 0.000 0.993 515 T HN 0.804 nan 8.240 nan 0.000 0.519 516 S N -0.480 115.063 115.700 -0.262 0.000 2.587 516 S HA 0.684 5.154 4.470 -0.000 0.000 0.269 516 S C -2.030 172.296 174.600 -0.456 0.000 1.154 516 S CA -1.079 56.997 58.200 -0.206 0.000 0.824 516 S CB 1.008 64.186 63.200 -0.038 0.000 1.118 516 S HN 0.235 nan 8.310 nan 0.000 0.462 517 Y N -0.256 120.026 120.300 -0.031 0.000 2.562 517 Y HA 0.888 5.438 4.550 -0.001 0.000 0.343 517 Y C 0.976 176.849 175.900 -0.044 0.000 1.025 517 Y CA 0.033 58.096 58.100 -0.062 0.000 1.082 517 Y CB 2.368 40.787 38.460 -0.069 0.000 1.264 517 Y HN 1.241 nan 8.280 nan 0.000 0.478 518 G N -0.680 108.176 108.800 0.094 0.000 2.753 518 G HA2 0.427 4.387 3.960 -0.000 0.000 0.303 518 G HA3 0.427 4.387 3.960 -0.000 0.000 0.303 518 G C -0.767 174.077 174.900 -0.092 0.000 1.242 518 G CA -0.524 44.585 45.100 0.014 0.000 0.810 518 G HN 0.402 nan 8.290 nan 0.000 0.515 519 T N 0.534 115.016 114.554 -0.121 0.000 3.475 519 T HA 0.199 4.549 4.350 -0.000 0.000 0.310 519 T C -0.414 174.191 174.700 -0.159 0.000 0.963 519 T CA -0.267 61.648 62.100 -0.308 0.000 0.985 519 T CB -0.154 68.525 68.868 -0.314 0.000 1.198 519 T HN 0.474 nan 8.240 nan 0.000 0.508 520 D N 2.064 122.465 120.400 0.001 0.000 2.479 520 D HA 0.008 4.648 4.640 -0.000 0.000 0.257 520 D C 1.345 177.594 176.300 -0.084 0.000 1.230 520 D CA 0.256 54.270 54.000 0.023 0.000 0.912 520 D CB 0.656 41.568 40.800 0.188 0.000 1.130 520 D HN 0.386 nan 8.370 nan 0.000 0.515 521 L N 3.751 124.802 121.223 -0.287 0.000 2.109 521 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 521 L C 2.601 179.229 176.870 -0.404 0.000 1.086 521 L CA 1.048 55.726 54.840 -0.269 0.000 0.760 521 L CB -0.385 41.557 42.059 -0.195 0.000 0.910 521 L HN 0.488 nan 8.230 nan 0.000 0.437 522 G N 0.007 108.135 108.800 -1.119 0.000 2.418 522 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 522 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 522 G C 1.575 176.573 174.900 0.164 0.000 1.158 522 G CA 1.003 45.714 45.100 -0.649 0.000 0.771 522 G HN 0.187 nan 8.290 nan 0.000 0.545 523 V N 1.514 121.521 119.914 0.155 0.000 2.358 523 V HA -0.068 4.052 4.120 -0.000 0.000 0.246 523 V C 3.310 179.551 176.094 0.245 0.000 1.047 523 V CA 1.807 64.265 62.300 0.264 0.000 1.035 523 V CB -0.874 31.075 31.823 0.211 0.000 0.658 523 V HN 0.474 nan 8.190 nan 0.000 0.452 524 A N 0.899 123.824 122.820 0.175 0.000 1.883 524 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 524 A C 2.440 180.090 177.584 0.111 0.000 1.186 524 A CA 2.233 54.350 52.037 0.133 0.000 0.624 524 A CB -1.359 17.674 19.000 0.055 0.000 0.822 524 A HN 0.524 nan 8.150 nan 0.000 0.444 525 G N -1.152 107.715 108.800 0.112 0.000 2.421 525 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 525 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 525 G C 1.952 176.979 174.900 0.211 0.000 1.171 525 G CA 1.549 46.728 45.100 0.132 0.000 0.775 525 G HN 0.583 nan 8.290 nan 0.000 0.543 526 S N -0.156 115.746 115.700 0.337 0.000 2.368 526 S HA -0.102 4.367 4.470 -0.000 0.000 0.225 526 S C 2.339 177.152 174.600 0.354 0.000 1.030 526 S CA 1.449 59.907 58.200 0.430 0.000 0.999 526 S CB -0.299 63.295 63.200 0.657 0.000 0.844 526 S HN 0.215 nan 8.310 nan 0.000 0.459 527 L N 1.727 123.145 121.223 0.324 0.000 2.046 527 L HA 0.124 4.464 4.340 -0.000 0.000 0.208 527 L C 2.489 179.510 176.870 0.251 0.000 1.077 527 L CA 2.022 57.061 54.840 0.331 0.000 0.747 527 L CB -1.192 41.065 42.059 0.329 0.000 0.896 527 L HN 0.335 nan 8.230 nan 0.000 0.432 528 A N -0.388 122.534 122.820 0.170 0.000 1.877 528 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 528 A C 2.229 179.893 177.584 0.133 0.000 1.186 528 A CA 1.763 53.865 52.037 0.109 0.000 0.620 528 A CB -0.984 18.040 19.000 0.040 0.000 0.822 528 A HN 0.615 nan 8.150 nan 0.000 0.443 529 N N 0.787 119.577 118.700 0.150 0.000 2.036 529 N HA -0.179 4.561 4.740 -0.000 0.000 0.195 529 N C 1.851 177.482 175.510 0.202 0.000 1.037 529 N CA 2.280 55.422 53.050 0.154 0.000 0.855 529 N CB -0.583 37.998 38.487 0.157 0.000 1.033 529 N HN 0.365 nan 8.380 nan 0.000 0.423 530 A N 1.180 124.154 122.820 0.258 0.000 1.873 530 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 530 A C 2.626 180.404 177.584 0.323 0.000 1.193 530 A CA 1.507 53.715 52.037 0.286 0.000 0.629 530 A CB -0.980 18.240 19.000 0.366 0.000 0.826 530 A HN 0.392 nan 8.150 nan 0.000 0.447 531 L N -0.991 120.422 121.223 0.316 0.000 2.083 531 L HA -0.168 4.171 4.340 -0.000 0.000 0.209 531 L C 3.057 180.107 176.870 0.301 0.000 1.083 531 L CA 0.982 56.013 54.840 0.320 0.000 0.752 531 L CB -0.512 41.676 42.059 0.216 0.000 0.899 531 L HN 0.455 nan 8.230 nan 0.000 0.433 532 A N -0.401 122.553 122.820 0.224 0.000 1.872 532 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 532 A C 2.376 180.105 177.584 0.242 0.000 1.187 532 A CA 2.092 54.280 52.037 0.252 0.000 0.614 532 A CB -0.892 18.241 19.000 0.221 0.000 0.826 532 A HN 0.342 nan 8.150 nan 0.000 0.442 533 T N -1.073 113.567 114.554 0.143 0.000 2.684 533 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 533 T C 1.795 176.549 174.700 0.090 0.000 1.036 533 T CA 1.866 63.969 62.100 0.004 0.000 1.148 533 T CB -0.523 68.373 68.868 0.046 0.000 0.863 533 T HN 0.592 nan 8.240 nan 0.000 0.436 534 Y N 2.390 122.765 120.300 0.125 0.000 2.097 534 Y HA -0.118 4.432 4.550 -0.000 0.000 0.282 534 Y C 2.546 178.563 175.900 0.195 0.000 1.152 534 Y CA 1.089 59.302 58.100 0.188 0.000 1.136 534 Y CB -1.009 37.579 38.460 0.212 0.000 0.975 534 Y HN 0.170 nan 8.280 nan 0.000 0.498 535 A N 1.032 123.848 122.820 -0.005 0.000 1.892 535 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 535 A C 2.501 180.130 177.584 0.075 0.000 1.188 535 A CA 2.547 54.563 52.037 -0.035 0.000 0.631 535 A CB -1.712 17.380 19.000 0.154 0.000 0.822 535 A HN 0.733 nan 8.150 nan 0.000 0.447 536 A N -0.258 122.619 122.820 0.095 0.000 1.908 536 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 536 A C 2.516 179.997 177.584 -0.172 0.000 1.181 536 A CA 2.406 54.338 52.037 -0.176 0.000 0.627 536 A CB -1.069 17.541 19.000 -0.649 0.000 0.818 536 A HN 1.186 nan 8.150 nan 0.000 0.445 537 A N -0.335 122.418 122.820 -0.112 0.000 1.933 537 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 537 A C 2.435 180.044 177.584 0.041 0.000 1.175 537 A CA 2.537 54.578 52.037 0.006 0.000 0.628 537 A CB -1.402 17.687 19.000 0.150 0.000 0.814 537 A HN 0.799 nan 8.150 nan 0.000 0.444 538 T N -1.955 112.561 114.554 -0.064 0.000 2.821 538 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 538 T C 1.740 176.438 174.700 -0.002 0.000 1.046 538 T CA 1.539 63.626 62.100 -0.022 0.000 1.139 538 T CB -0.305 68.451 68.868 -0.187 0.000 0.871 538 T HN 0.644 nan 8.240 nan 0.000 0.454 539 E N 1.153 121.329 120.200 -0.040 0.000 2.072 539 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 539 E C 2.527 179.049 176.600 -0.130 0.000 0.982 539 E CA 0.553 56.928 56.400 -0.042 0.000 0.803 539 E CB -0.120 29.580 29.700 0.000 0.000 0.755 539 E HN 0.555 nan 8.360 nan 0.000 0.453 540 R N -0.858 119.495 120.500 -0.245 0.000 2.092 540 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 540 R C 1.183 177.090 176.300 -0.655 0.000 1.119 540 R CA 1.846 57.623 56.100 -0.538 0.000 0.970 540 R CB -0.100 29.731 30.300 -0.781 0.000 0.864 540 R HN 0.278 nan 8.270 nan 0.000 0.440 541 W N -0.946 120.283 121.300 -0.119 0.000 2.901 541 W HA 0.278 4.938 4.660 -0.000 0.000 0.281 541 W C 1.364 177.871 176.519 -0.019 0.000 1.167 541 W CA -0.371 56.912 57.345 -0.104 0.000 1.506 541 W CB 0.723 30.042 29.460 -0.235 0.000 0.985 541 W HN 0.043 nan 8.180 nan 0.000 0.590 542 E N -0.066 120.257 120.200 0.205 0.000 2.481 542 E HA 0.175 4.525 4.350 -0.000 0.000 0.198 542 E C 1.634 178.296 176.600 0.103 0.000 1.027 542 E CA 0.443 56.947 56.400 0.173 0.000 0.900 542 E CB 0.374 30.183 29.700 0.183 0.000 0.993 542 E HN 0.197 nan 8.360 nan 0.000 0.482 543 G N 2.560 111.397 108.800 0.061 0.000 2.168 543 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 543 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 543 G C 0.205 175.128 174.900 0.038 0.000 0.997 543 G CA 0.883 46.005 45.100 0.037 0.000 0.708 543 G HN 0.177 nan 8.290 nan 0.000 0.520 544 K N -0.332 120.093 120.400 0.042 0.000 2.635 544 K HA 0.373 4.692 4.320 -0.000 0.000 0.266 544 K C -0.469 176.153 176.600 0.038 0.000 1.033 544 K CA -1.023 55.289 56.287 0.042 0.000 0.919 544 K CB 0.906 33.438 32.500 0.053 0.000 1.289 544 K HN 0.364 nan 8.250 nan 0.000 0.463 545 L N 3.838 125.084 121.223 0.038 0.000 2.513 545 L HA 0.121 4.461 4.340 -0.000 0.000 0.272 545 L C -0.042 176.846 176.870 0.030 0.000 1.187 545 L CA 0.763 55.629 54.840 0.044 0.000 0.895 545 L CB 0.454 42.563 42.059 0.084 0.000 1.147 545 L HN 0.550 nan 8.230 nan 0.000 0.483 546 D N 3.618 124.020 120.400 0.002 0.000 2.402 546 D HA 0.026 4.666 4.640 -0.000 0.000 0.235 546 D C 0.756 177.070 176.300 0.022 0.000 1.226 546 D CA 0.127 54.148 54.000 0.036 0.000 0.918 546 D CB 0.978 41.823 40.800 0.075 0.000 1.043 546 D HN 0.761 nan 8.370 nan 0.000 0.506 547 T N 3.397 117.957 114.554 0.010 0.000 2.777 547 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 547 T C 1.844 176.524 174.700 -0.034 0.000 1.040 547 T CA 0.834 62.914 62.100 -0.034 0.000 1.141 547 T CB 0.240 69.099 68.868 -0.016 0.000 0.868 547 T HN 0.407 nan 8.240 nan 0.000 0.444 548 K N 1.525 121.931 120.400 0.011 0.000 2.063 548 K HA -0.025 4.295 4.320 -0.000 0.000 0.208 548 K C 2.586 179.201 176.600 0.026 0.000 1.048 548 K CA 1.388 57.684 56.287 0.015 0.000 0.928 548 K CB -0.544 31.977 32.500 0.035 0.000 0.713 548 K HN 0.358 nan 8.250 nan 0.000 0.442 549 A N 1.979 124.851 122.820 0.087 0.000 1.898 549 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 549 A C 2.297 179.902 177.584 0.036 0.000 1.181 549 A CA 1.387 53.509 52.037 0.140 0.000 0.620 549 A CB -0.498 18.731 19.000 0.382 0.000 0.819 549 A HN 0.263 nan 8.150 nan 0.000 0.442 550 R N -0.246 120.207 120.500 -0.078 0.000 2.080 550 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 550 R C 1.439 177.598 176.300 -0.236 0.000 1.137 550 R CA 2.133 58.049 56.100 -0.307 0.000 0.943 550 R CB -0.471 29.458 30.300 -0.618 0.000 0.846 550 R HN 0.447 nan 8.270 nan 0.000 0.431 551 D N 0.334 120.640 120.400 -0.157 0.000 2.117 551 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 551 D C 1.793 178.053 176.300 -0.067 0.000 0.987 551 D CA 1.251 55.189 54.000 -0.104 0.000 0.829 551 D CB -0.258 40.499 40.800 -0.071 0.000 0.961 551 D HN 0.199 nan 8.370 nan 0.000 0.460 552 M N 1.199 120.772 119.600 -0.045 0.000 2.117 552 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 552 M C 1.915 178.197 176.300 -0.029 0.000 1.065 552 M CA 1.366 56.649 55.300 -0.028 0.000 1.114 552 M CB -0.518 32.075 32.600 -0.013 0.000 1.361 552 M HN -0.022 nan 8.290 nan 0.000 0.408 553 A N -0.267 122.536 122.820 -0.028 0.000 1.908 553 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 553 A C 2.376 179.909 177.584 -0.086 0.000 1.181 553 A CA 2.299 54.317 52.037 -0.032 0.000 0.627 553 A CB -1.454 17.538 19.000 -0.014 0.000 0.818 553 A HN 0.667 nan 8.150 nan 0.000 0.445 554 A N -0.701 122.050 122.820 -0.114 0.000 1.929 554 A HA -0.087 4.232 4.320 -0.000 0.000 0.216 554 A C 1.929 179.522 177.584 0.014 0.000 1.176 554 A CA 1.448 53.421 52.037 -0.106 0.000 0.628 554 A CB -0.385 18.582 19.000 -0.056 0.000 0.816 554 A HN 0.477 nan 8.150 nan 0.000 0.444 555 E N 0.194 120.391 120.200 -0.005 0.000 2.085 555 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 555 E C 2.032 178.618 176.600 -0.023 0.000 0.994 555 E CA 1.184 57.587 56.400 0.006 0.000 0.801 555 E CB -0.430 29.264 29.700 -0.010 0.000 0.743 555 E HN 0.674 nan 8.360 nan 0.000 0.453 556 L N 0.295 121.472 121.223 -0.077 0.000 2.027 556 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 556 L C 2.628 179.413 176.870 -0.141 0.000 1.074 556 L CA 0.683 55.401 54.840 -0.204 0.000 0.745 556 L CB -0.501 41.466 42.059 -0.153 0.000 0.898 556 L HN -0.033 nan 8.230 nan 0.000 0.433 557 V N 0.295 120.200 119.914 -0.014 0.000 2.287 557 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 557 V C 2.269 178.531 176.094 0.281 0.000 1.053 557 V CA 1.979 64.341 62.300 0.102 0.000 1.027 557 V CB -0.697 31.156 31.823 0.050 0.000 0.646 557 V HN 0.493 nan 8.190 nan 0.000 0.447 558 N N 0.285 119.178 118.700 0.322 0.000 2.120 558 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 558 N C 1.960 177.765 175.510 0.492 0.000 1.024 558 N CA 1.445 54.800 53.050 0.508 0.000 0.852 558 N CB -0.360 38.294 38.487 0.278 0.000 1.003 558 N HN 0.494 nan 8.380 nan 0.000 0.424 559 R N 0.341 121.005 120.500 0.273 0.000 2.153 559 R HA 0.178 4.518 4.340 -0.000 0.000 0.218 559 R C 2.116 178.656 176.300 0.400 0.000 1.072 559 R CA 0.883 57.176 56.100 0.322 0.000 0.990 559 R CB -0.126 30.303 30.300 0.214 0.000 0.889 559 R HN 0.165 nan 8.270 nan 0.000 0.452 560 A N 1.127 124.069 122.820 0.203 0.000 1.873 560 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 560 A C 1.848 179.749 177.584 0.529 0.000 1.186 560 A CA 0.803 53.055 52.037 0.358 0.000 0.616 560 A CB -0.831 18.240 19.000 0.117 0.000 0.823 560 A HN 0.579 nan 8.150 nan 0.000 0.442 561 W N -0.728 120.754 121.300 0.303 0.000 2.379 561 W HA -0.212 4.448 4.660 -0.000 0.000 0.307 561 W C 2.029 178.767 176.519 0.364 0.000 1.200 561 W CA 1.938 59.461 57.345 0.297 0.000 1.297 561 W CB -0.474 29.108 29.460 0.203 0.000 1.140 561 W HN 0.483 nan 8.180 nan 0.000 0.507 562 Y N 2.414 122.921 120.300 0.344 0.000 2.114 562 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 562 Y C 2.230 178.149 175.900 0.033 0.000 1.143 562 Y CA 2.428 60.639 58.100 0.185 0.000 1.135 562 Y CB -1.026 37.624 38.460 0.316 0.000 0.980 562 Y HN -0.087 nan 8.280 nan 0.000 0.499 563 N N -1.087 117.574 118.700 -0.065 0.000 2.467 563 N HA -0.045 4.695 4.740 -0.000 0.000 0.184 563 N C 0.016 175.062 175.510 -0.773 0.000 1.106 563 N CA 0.770 53.527 53.050 -0.489 0.000 0.892 563 N CB 0.010 38.254 38.487 -0.406 0.000 0.969 563 N HN 0.358 nan 8.380 nan 0.000 0.454 564 F N -0.801 119.132 119.950 -0.028 0.000 2.817 564 F HA 0.206 4.733 4.527 -0.000 0.000 0.319 564 F C 0.174 175.910 175.800 -0.107 0.000 1.136 564 F CA -0.923 57.057 58.000 -0.032 0.000 1.177 564 F CB -0.188 38.842 39.000 0.050 0.000 1.088 564 F HN -0.120 nan 8.300 nan 0.000 0.520 565 Y N 1.472 121.615 120.300 -0.262 0.000 2.578 565 Y HA 0.147 4.697 4.550 -0.000 0.000 0.339 565 Y C 0.242 176.011 175.900 -0.219 0.000 1.231 565 Y CA -0.552 57.293 58.100 -0.425 0.000 1.461 565 Y CB 0.678 38.787 38.460 -0.586 0.000 1.323 565 Y HN 0.160 nan 8.280 nan 0.000 0.590 566 C N 6.615 125.494 119.300 -0.702 0.000 2.264 566 C HA 0.358 4.818 4.460 -0.000 0.000 0.322 566 C C 1.399 176.168 174.990 -0.367 0.000 1.210 566 C CA -0.171 58.644 59.018 -0.340 0.000 1.539 566 C CB -0.816 26.848 27.740 -0.127 0.000 2.167 566 C HN 1.068 nan 8.230 nan 0.000 0.463 567 S N 3.079 118.751 115.700 -0.046 0.000 2.392 567 S HA -0.177 4.293 4.470 -0.000 0.000 0.232 567 S C 1.906 176.519 174.600 0.021 0.000 1.041 567 S CA 2.366 60.617 58.200 0.085 0.000 1.026 567 S CB -0.160 63.081 63.200 0.068 0.000 0.845 567 S HN 1.046 nan 8.310 nan 0.000 0.465 568 E N 0.192 120.374 120.200 -0.029 0.000 2.512 568 E HA 0.357 4.707 4.350 -0.000 0.000 0.195 568 E C 1.157 177.728 176.600 -0.049 0.000 1.083 568 E CA 0.672 57.054 56.400 -0.031 0.000 0.873 568 E CB -1.441 28.236 29.700 -0.038 0.000 0.897 568 E HN 0.792 nan 8.360 nan 0.000 0.514 569 G N 0.441 109.187 108.800 -0.091 0.000 2.198 569 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 569 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 569 G C 0.923 175.790 174.900 -0.055 0.000 1.042 569 G CA 0.601 45.655 45.100 -0.077 0.000 0.791 569 G HN 0.514 nan 8.290 nan 0.000 0.502 570 K N -0.591 119.767 120.400 -0.071 0.000 2.353 570 K HA 0.444 4.764 4.320 -0.000 0.000 0.195 570 K C 1.721 178.416 176.600 0.158 0.000 1.031 570 K CA 0.622 56.919 56.287 0.016 0.000 1.079 570 K CB 0.735 33.124 32.500 -0.184 0.000 0.857 570 K HN 1.219 nan 8.250 nan 0.000 0.535 571 G N 1.032 109.844 108.800 0.020 0.000 2.246 571 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.196 571 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.196 571 G C -0.775 174.073 174.900 -0.087 0.000 1.180 571 G CA -0.341 44.793 45.100 0.057 0.000 1.291 571 G HN 0.096 nan 8.290 nan 0.000 0.508 572 V N -1.422 118.533 119.914 0.068 0.000 2.994 572 V HA 0.951 5.071 4.120 -0.000 0.000 0.318 572 V C 0.041 176.151 176.094 0.027 0.000 1.085 572 V CA -0.375 61.941 62.300 0.026 0.000 0.998 572 V CB 1.462 33.363 31.823 0.131 0.000 1.063 572 V HN 1.914 nan 8.190 nan 0.000 0.447 573 V N 0.868 120.770 119.914 -0.021 0.000 2.971 573 V HA 0.661 4.781 4.120 -0.000 0.000 0.309 573 V C 0.042 176.136 176.094 0.001 0.000 1.130 573 V CA 0.079 62.257 62.300 -0.203 0.000 0.964 573 V CB 2.729 34.316 31.823 -0.393 0.000 1.029 573 V HN 1.225 nan 8.190 nan 0.000 0.427 574 T N 3.985 118.506 114.554 -0.055 0.000 2.902 574 T HA 0.464 4.814 4.350 -0.000 0.000 0.280 574 T C -0.742 173.984 174.700 0.042 0.000 0.992 574 T CA -0.219 61.880 62.100 -0.001 0.000 1.015 574 T CB 1.128 70.003 68.868 0.011 0.000 1.044 574 T HN 0.763 nan 8.240 nan 0.000 0.520 575 E N 1.572 121.833 120.200 0.102 0.000 2.220 575 E HA 0.312 4.662 4.350 -0.000 0.000 0.256 575 E C -1.105 175.504 176.600 0.016 0.000 0.881 575 E CA -0.578 55.851 56.400 0.047 0.000 0.766 575 E CB 0.635 30.388 29.700 0.090 0.000 1.187 575 E HN 0.717 nan 8.360 nan 0.000 0.419 576 E N 2.978 123.150 120.200 -0.047 0.000 2.274 576 E HA 0.603 4.953 4.350 -0.000 0.000 0.269 576 E C -1.254 175.286 176.600 -0.100 0.000 0.891 576 E CA -1.181 55.193 56.400 -0.043 0.000 0.784 576 E CB 1.578 31.283 29.700 0.007 0.000 1.225 576 E HN 0.373 nan 8.360 nan 0.000 0.412 577 A N 3.904 126.675 122.820 -0.082 0.000 2.440 577 A HA 0.334 4.654 4.320 -0.000 0.000 0.251 577 A C -0.075 177.415 177.584 -0.155 0.000 1.089 577 A CA -0.546 51.425 52.037 -0.110 0.000 0.779 577 A CB 0.217 19.176 19.000 -0.069 0.000 1.022 577 A HN 0.552 nan 8.150 nan 0.000 0.492 578 R N 2.758 123.106 120.500 -0.252 0.000 2.724 578 R HA 0.335 4.675 4.340 -0.000 0.000 0.284 578 R C 0.973 177.126 176.300 -0.245 0.000 1.481 578 R CA 0.298 56.156 56.100 -0.404 0.000 1.652 578 R CB 0.331 30.004 30.300 -1.045 0.000 1.175 578 R HN 0.833 nan 8.270 nan 0.000 0.613 579 A N 1.631 124.385 122.820 -0.110 0.000 1.978 579 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 579 A C 1.600 179.170 177.584 -0.024 0.000 1.170 579 A CA 1.860 53.871 52.037 -0.043 0.000 0.636 579 A CB -0.137 18.848 19.000 -0.025 0.000 0.810 579 A HN 0.559 nan 8.150 nan 0.000 0.448 580 D N -1.313 119.077 120.400 -0.017 0.000 2.311 580 D HA -0.213 4.427 4.640 -0.000 0.000 0.212 580 D C 1.235 177.503 176.300 -0.052 0.000 0.972 580 D CA 0.947 54.935 54.000 -0.019 0.000 0.887 580 D CB -0.652 40.237 40.800 0.149 0.000 0.915 580 D HN 0.500 nan 8.370 nan 0.000 0.497 581 Y N 1.924 122.181 120.300 -0.072 0.000 2.574 581 Y HA -0.066 4.484 4.550 -0.000 0.000 0.294 581 Y C 2.216 178.031 175.900 -0.141 0.000 1.142 581 Y CA 0.294 58.386 58.100 -0.013 0.000 1.314 581 Y CB -0.605 37.935 38.460 0.133 0.000 0.991 581 Y HN 0.252 nan 8.280 nan 0.000 0.555 582 K N 0.322 120.737 120.400 0.026 0.000 2.286 582 K HA -0.196 4.124 4.320 -0.000 0.000 0.203 582 K C 1.731 178.181 176.600 -0.250 0.000 1.045 582 K CA 1.505 57.810 56.287 0.030 0.000 0.935 582 K CB -0.364 32.223 32.500 0.145 0.000 0.737 582 K HN 0.208 nan 8.250 nan 0.000 0.460 583 R N -0.237 119.901 120.500 -0.603 0.000 2.235 583 R HA 0.018 4.358 4.340 -0.000 0.000 0.213 583 R C 1.780 177.594 176.300 -0.810 0.000 1.059 583 R CA 0.840 56.415 56.100 -0.875 0.000 0.997 583 R CB -0.349 28.976 30.300 -1.624 0.000 0.884 583 R HN 0.165 nan 8.270 nan 0.000 0.462 584 F N -0.120 119.239 119.950 -0.984 0.000 2.115 584 F HA -0.276 4.251 4.527 -0.000 0.000 0.300 584 F C 1.392 176.773 175.800 -0.699 0.000 1.092 584 F CA 1.800 59.307 58.000 -0.821 0.000 1.245 584 F CB -0.034 38.111 39.000 -1.425 0.000 0.995 584 F HN -0.016 nan 8.300 nan 0.000 0.481 585 F N -2.288 117.631 119.950 -0.050 0.000 2.712 585 F HA 0.145 4.672 4.527 -0.000 0.000 0.297 585 F C 1.905 177.655 175.800 -0.084 0.000 1.114 585 F CA 0.022 57.939 58.000 -0.137 0.000 1.305 585 F CB -0.242 38.400 39.000 -0.597 0.000 1.086 585 F HN -0.187 nan 8.300 nan 0.000 0.599 586 E N -0.053 120.147 120.200 0.000 0.000 2.307 586 E HA -0.043 4.307 4.350 -0.000 0.000 0.195 586 E C 0.703 177.330 176.600 0.044 0.000 0.975 586 E CA -0.030 56.406 56.400 0.060 0.000 0.878 586 E CB 0.147 29.883 29.700 0.060 0.000 0.845 586 E HN 0.028 nan 8.360 nan 0.000 0.488 587 Q N 2.547 122.343 119.800 -0.007 0.000 2.300 587 Q HA -0.013 4.327 4.340 -0.000 0.000 0.262 587 Q C -0.703 175.375 176.000 0.129 0.000 1.109 587 Q CA 0.275 56.104 55.803 0.042 0.000 0.905 587 Q CB 0.264 29.018 28.738 0.026 0.000 1.280 587 Q HN 0.032 nan 8.270 nan 0.000 0.426 588 E N 2.302 122.574 120.200 0.120 0.000 2.384 588 E HA 0.198 4.548 4.350 -0.000 0.000 0.266 588 E C -1.083 175.612 176.600 0.158 0.000 1.012 588 E CA -0.350 56.130 56.400 0.132 0.000 0.901 588 E CB 0.680 30.449 29.700 0.116 0.000 0.967 588 E HN 0.420 nan 8.360 nan 0.000 0.435 589 V N 5.238 125.243 119.914 0.152 0.000 2.435 589 V HA 0.117 4.236 4.120 -0.000 0.000 0.290 589 V C -0.543 175.631 176.094 0.133 0.000 1.030 589 V CA -0.730 61.666 62.300 0.159 0.000 0.881 589 V CB 0.950 32.852 31.823 0.133 0.000 0.983 589 V HN 0.636 nan 8.190 nan 0.000 0.445 590 Y N 5.088 125.419 120.300 0.052 0.000 2.377 590 Y HA 0.532 5.082 4.550 -0.000 0.000 0.330 590 Y C -0.306 175.577 175.900 -0.029 0.000 1.108 590 Y CA 0.037 58.149 58.100 0.021 0.000 1.308 590 Y CB 1.065 39.542 38.460 0.028 0.000 1.216 590 Y HN 0.393 nan 8.280 nan 0.000 0.518 591 V N 8.385 127.731 119.914 -0.946 0.000 2.686 591 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 591 V C -2.357 173.138 176.094 -0.999 0.000 1.065 591 V CA -2.227 59.608 62.300 -0.775 0.000 0.894 591 V CB 1.825 33.453 31.823 -0.324 0.000 1.004 591 V HN 0.721 nan 8.190 nan 0.000 0.424 592 P HA 0.154 nan 4.420 nan 0.000 0.265 592 P C -0.092 177.149 177.300 -0.100 0.000 1.193 592 P CA 0.160 63.106 63.100 -0.256 0.000 0.765 592 P CB 0.421 32.101 31.700 -0.034 0.000 0.823 593 A N 3.530 126.325 122.820 -0.041 0.000 2.584 593 A HA 0.352 4.672 4.320 -0.000 0.000 0.239 593 A C 1.649 179.255 177.584 0.037 0.000 1.043 593 A CA 0.926 52.964 52.037 0.002 0.000 0.756 593 A CB -1.398 17.616 19.000 0.023 0.000 0.963 593 A HN 0.910 nan 8.150 nan 0.000 0.511 594 G N 0.896 109.714 108.800 0.029 0.000 2.199 594 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 594 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 594 G C 0.085 175.003 174.900 0.030 0.000 0.982 594 G CA 0.442 45.554 45.100 0.020 0.000 0.632 594 G HN 1.300 nan 8.290 nan 0.000 0.529 595 W N 2.526 123.755 121.300 -0.119 0.000 2.351 595 W HA 0.622 5.282 4.660 -0.000 0.000 0.311 595 W C 0.595 177.027 176.519 -0.144 0.000 1.168 595 W CA 0.155 57.412 57.345 -0.146 0.000 1.200 595 W CB 1.294 30.651 29.460 -0.172 0.000 1.221 595 W HN 0.638 nan 8.180 nan 0.000 0.519 596 S N 4.632 120.025 115.700 -0.512 0.000 2.546 596 S HA 0.967 5.436 4.470 -0.000 0.000 0.274 596 S C -0.595 173.474 174.600 -0.884 0.000 1.121 596 S CA -0.499 57.467 58.200 -0.391 0.000 0.887 596 S CB 1.874 64.933 63.200 -0.236 0.000 1.094 596 S HN 1.012 nan 8.310 nan 0.000 0.474 597 G N 0.495 109.030 108.800 -0.441 0.000 2.559 597 G HA2 0.696 4.656 3.960 -0.000 0.000 0.291 597 G HA3 0.696 4.656 3.960 -0.000 0.000 0.291 597 G C -1.109 173.746 174.900 -0.074 0.000 1.424 597 G CA -0.150 44.717 45.100 -0.388 0.000 0.786 597 G HN 1.437 nan 8.290 nan 0.000 0.485 598 T N -1.528 113.010 114.554 -0.026 0.000 2.893 598 T HA 0.663 5.013 4.350 -0.000 0.000 0.293 598 T C 0.237 175.031 174.700 0.156 0.000 1.027 598 T CA -0.910 61.225 62.100 0.059 0.000 0.988 598 T CB 1.740 70.629 68.868 0.034 0.000 1.043 598 T HN 0.468 nan 8.240 nan 0.000 0.461 599 M N 1.952 121.633 119.600 0.134 0.000 2.198 599 M HA 0.245 4.725 4.480 -0.000 0.000 0.315 599 M C -1.519 174.738 176.300 -0.071 0.000 1.134 599 M CA -2.386 52.973 55.300 0.099 0.000 1.171 599 M CB -0.076 32.510 32.600 -0.023 0.000 1.413 599 M HN 0.416 nan 8.290 nan 0.000 0.467 600 P HA -0.170 nan 4.420 nan 0.000 0.216 600 P C 0.766 177.896 177.300 -0.284 0.000 1.150 600 P CA 1.480 64.205 63.100 -0.624 0.000 0.843 600 P CB -0.136 30.928 31.700 -1.060 0.000 0.787 601 N N -1.030 117.486 118.700 -0.307 0.000 2.515 601 N HA -0.000 4.740 4.740 -0.000 0.000 0.191 601 N C 1.227 176.655 175.510 -0.137 0.000 1.182 601 N CA 1.125 54.033 53.050 -0.236 0.000 0.879 601 N CB -1.001 37.295 38.487 -0.319 0.000 0.984 601 N HN 0.231 nan 8.380 nan 0.000 0.453 602 G N -0.287 108.462 108.800 -0.086 0.000 2.195 602 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.246 602 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.246 602 G C -0.619 174.258 174.900 -0.038 0.000 0.984 602 G CA 0.095 45.170 45.100 -0.042 0.000 0.633 602 G HN 0.467 nan 8.290 nan 0.000 0.525 603 D N 1.547 121.913 120.400 -0.057 0.000 2.487 603 D HA 0.251 4.891 4.640 -0.000 0.000 0.243 603 D C 0.835 177.141 176.300 0.010 0.000 1.154 603 D CA 0.615 54.596 54.000 -0.031 0.000 0.876 603 D CB 0.602 41.374 40.800 -0.047 0.000 1.161 603 D HN 0.389 nan 8.370 nan 0.000 0.478 604 K N 2.418 122.827 120.400 0.015 0.000 2.339 604 K HA 0.270 4.590 4.320 -0.000 0.000 0.286 604 K C 0.116 176.754 176.600 0.063 0.000 1.050 604 K CA -0.225 56.079 56.287 0.028 0.000 0.956 604 K CB 0.754 33.261 32.500 0.013 0.000 0.990 604 K HN 0.313 nan 8.250 nan 0.000 0.475 605 I N 4.788 125.424 120.570 0.109 0.000 2.297 605 I HA 0.091 4.261 4.170 -0.000 0.000 0.291 605 I C 0.045 176.281 176.117 0.199 0.000 1.033 605 I CA -0.094 61.314 61.300 0.180 0.000 1.253 605 I CB 0.451 38.646 38.000 0.324 0.000 1.396 605 I HN 0.627 nan 8.210 nan 0.000 0.476 606 Q N 6.075 125.946 119.800 0.118 0.000 2.578 606 Q HA 0.518 4.858 4.340 -0.000 0.000 0.284 606 Q C -3.066 172.947 176.000 0.021 0.000 0.960 606 Q CA -2.121 53.734 55.803 0.088 0.000 0.809 606 Q CB 1.658 30.425 28.738 0.049 0.000 1.462 606 Q HN 0.111 nan 8.270 nan 0.000 0.392 607 P HA 0.093 nan 4.420 nan 0.000 0.265 607 P C 0.627 177.923 177.300 -0.007 0.000 1.187 607 P CA 2.013 65.078 63.100 -0.059 0.000 0.766 607 P CB 0.399 32.061 31.700 -0.063 0.000 0.820 608 G N 2.168 110.972 108.800 0.006 0.000 2.232 608 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.226 608 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.226 608 G C 0.292 175.227 174.900 0.059 0.000 0.996 608 G CA 0.073 45.197 45.100 0.039 0.000 0.626 608 G HN 0.705 nan 8.290 nan 0.000 0.509 609 I N -0.458 120.144 120.570 0.054 0.000 2.872 609 I HA 0.502 4.672 4.170 -0.000 0.000 0.291 609 I C 0.431 176.612 176.117 0.106 0.000 1.216 609 I CA -0.286 61.060 61.300 0.076 0.000 1.424 609 I CB 0.449 38.489 38.000 0.066 0.000 1.351 609 I HN -0.157 nan 8.210 nan 0.000 0.592 610 K N 4.124 124.605 120.400 0.134 0.000 2.177 610 K HA 0.242 4.562 4.320 -0.000 0.000 0.238 610 K C 0.340 177.068 176.600 0.214 0.000 1.015 610 K CA -0.660 55.734 56.287 0.180 0.000 0.922 610 K CB 0.781 33.400 32.500 0.199 0.000 1.127 610 K HN 0.746 nan 8.250 nan 0.000 0.469 611 F N 1.107 121.113 119.950 0.093 0.000 2.091 611 F HA -0.268 4.259 4.527 0.000 0.000 0.299 611 F C 1.884 177.753 175.800 0.115 0.000 1.103 611 F CA 1.548 59.606 58.000 0.096 0.000 1.228 611 F CB -0.142 38.918 39.000 0.099 0.000 0.984 611 F HN 0.486 nan 8.300 nan 0.000 0.477 612 I N 0.803 121.583 120.570 0.349 0.000 2.493 612 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 612 I C 1.662 177.883 176.117 0.173 0.000 1.160 612 I CA 1.566 63.068 61.300 0.337 0.000 1.445 612 I CB -0.813 37.482 38.000 0.492 0.000 1.086 612 I HN 0.110 nan 8.210 nan 0.000 0.433 613 D N 0.372 120.850 120.400 0.131 0.000 2.348 613 D HA -0.024 4.615 4.640 -0.000 0.000 0.216 613 D C 1.799 178.115 176.300 0.027 0.000 0.970 613 D CA 1.440 55.491 54.000 0.084 0.000 0.889 613 D CB 0.001 40.855 40.800 0.091 0.000 0.912 613 D HN 0.631 nan 8.370 nan 0.000 0.524 614 I N -3.323 117.240 120.570 -0.012 0.000 4.081 614 I HA 0.306 4.476 4.170 -0.000 0.000 0.333 614 I C 0.560 176.614 176.117 -0.105 0.000 1.413 614 I CA -0.310 60.968 61.300 -0.036 0.000 1.110 614 I CB 0.490 38.495 38.000 0.009 0.000 1.082 614 I HN -0.325 nan 8.210 nan 0.000 0.402 615 R N 0.310 120.738 120.500 -0.120 0.000 2.776 615 R HA 0.284 4.624 4.340 -0.000 0.000 0.391 615 R C 0.872 177.134 176.300 -0.063 0.000 1.116 615 R CA -0.121 55.874 56.100 -0.175 0.000 1.056 615 R CB 0.462 30.701 30.300 -0.101 0.000 1.369 615 R HN 0.088 nan 8.270 nan 0.000 0.590 616 T N 1.151 115.643 114.554 -0.103 0.000 2.778 616 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 616 T C 1.525 176.163 174.700 -0.103 0.000 1.050 616 T CA 1.466 63.529 62.100 -0.063 0.000 1.137 616 T CB 0.035 68.849 68.868 -0.089 0.000 0.860 616 T HN 0.303 nan 8.240 nan 0.000 0.468 617 K N -0.228 120.022 120.400 -0.249 0.000 2.281 617 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 617 K C 1.743 178.394 176.600 0.085 0.000 1.046 617 K CA 0.907 57.059 56.287 -0.225 0.000 0.938 617 K CB -0.200 31.939 32.500 -0.602 0.000 0.737 617 K HN 0.365 nan 8.250 nan 0.000 0.458 618 Y N 1.407 121.821 120.300 0.189 0.000 2.315 618 Y HA -0.151 4.399 4.550 0.000 0.000 0.288 618 Y C 1.904 177.821 175.900 0.029 0.000 1.154 618 Y CA 0.955 59.246 58.100 0.320 0.000 1.229 618 Y CB -0.169 38.600 38.460 0.515 0.000 0.980 618 Y HN -0.005 nan 8.280 nan 0.000 0.540 619 R N -0.487 119.935 120.500 -0.131 0.000 2.193 619 R HA -0.156 4.183 4.340 -0.000 0.000 0.229 619 R C 1.399 177.439 176.300 -0.434 0.000 1.110 619 R CA 1.102 56.705 56.100 -0.828 0.000 0.988 619 R CB -0.039 29.908 30.300 -0.588 0.000 0.871 619 R HN 0.277 nan 8.270 nan 0.000 0.458 620 Q N 0.370 120.104 119.800 -0.110 0.000 2.320 620 Q HA 0.070 4.410 4.340 -0.000 0.000 0.201 620 Q C -0.220 175.834 176.000 0.090 0.000 0.910 620 Q CA 0.241 56.037 55.803 -0.011 0.000 0.946 620 Q CB 0.085 28.820 28.738 -0.006 0.000 1.062 620 Q HN 0.278 nan 8.270 nan 0.000 0.503 621 D N 1.627 122.142 120.400 0.191 0.000 2.382 621 D HA 0.028 4.668 4.640 -0.000 0.000 0.245 621 D C -1.544 174.872 176.300 0.194 0.000 1.120 621 D CA -1.693 52.456 54.000 0.248 0.000 0.890 621 D CB 1.838 42.894 40.800 0.427 0.000 1.201 621 D HN -0.100 nan 8.370 nan 0.000 0.433 622 P HA -0.128 nan 4.420 nan 0.000 0.221 622 P C 0.555 177.897 177.300 0.069 0.000 1.145 622 P CA 0.940 64.058 63.100 0.030 0.000 0.795 622 P CB 0.068 31.713 31.700 -0.093 0.000 0.775 623 Y N -2.832 117.518 120.300 0.082 0.000 2.458 623 Y HA 0.102 4.652 4.550 -0.000 0.000 0.256 623 Y C 2.138 178.072 175.900 0.057 0.000 1.159 623 Y CA -1.020 57.109 58.100 0.050 0.000 1.261 623 Y CB -0.755 37.722 38.460 0.029 0.000 1.119 623 Y HN -0.072 nan 8.280 nan 0.000 0.524 624 Y N 0.896 121.286 120.300 0.150 0.000 2.145 624 Y HA -0.249 4.301 4.550 0.000 0.000 0.286 624 Y C 1.896 177.874 175.900 0.131 0.000 1.145 624 Y CA 2.091 60.239 58.100 0.079 0.000 1.148 624 Y CB -0.130 38.396 38.460 0.111 0.000 0.981 624 Y HN 0.002 nan 8.280 nan 0.000 0.507 625 D N 0.612 121.164 120.400 0.253 0.000 2.116 625 D HA -0.253 4.387 4.640 -0.000 0.000 0.193 625 D C 2.313 178.638 176.300 0.042 0.000 0.998 625 D CA 2.106 56.202 54.000 0.160 0.000 0.836 625 D CB -0.496 40.412 40.800 0.179 0.000 0.951 625 D HN 0.480 nan 8.370 nan 0.000 0.449 626 I N 0.822 121.435 120.570 0.072 0.000 2.208 626 I HA -0.228 3.941 4.170 -0.000 0.000 0.245 626 I C 2.605 178.704 176.117 -0.029 0.000 1.097 626 I CA 0.950 62.274 61.300 0.039 0.000 1.363 626 I CB -0.145 37.924 38.000 0.115 0.000 1.051 626 I HN -0.023 nan 8.210 nan 0.000 0.413 627 V N -1.334 118.533 119.914 -0.078 0.000 2.488 627 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 627 V C 2.354 178.462 176.094 0.023 0.000 1.046 627 V CA 1.175 63.432 62.300 -0.072 0.000 1.053 627 V CB -0.927 30.766 31.823 -0.217 0.000 0.679 627 V HN 0.414 nan 8.190 nan 0.000 0.458 628 Y N 1.637 121.765 120.300 -0.287 0.000 2.200 628 Y HA -0.072 4.478 4.550 0.000 0.000 0.290 628 Y C 2.588 178.379 175.900 -0.182 0.000 1.137 628 Y CA 2.291 60.156 58.100 -0.392 0.000 1.163 628 Y CB -0.385 37.585 38.460 -0.817 0.000 0.988 628 Y HN 0.361 nan 8.280 nan 0.000 0.518 629 Q N -0.363 119.294 119.800 -0.240 0.000 2.167 629 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 629 Q C 2.488 178.365 176.000 -0.205 0.000 0.970 629 Q CA 1.162 56.806 55.803 -0.266 0.000 0.855 629 Q CB -0.297 28.368 28.738 -0.120 0.000 0.911 629 Q HN 0.572 nan 8.270 nan 0.000 0.438 630 A N 0.513 123.269 122.820 -0.107 0.000 1.883 630 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 630 A C 1.919 179.472 177.584 -0.053 0.000 1.186 630 A CA 1.516 53.516 52.037 -0.062 0.000 0.624 630 A CB -0.961 18.030 19.000 -0.015 0.000 0.822 630 A HN 0.534 nan 8.150 nan 0.000 0.444 631 Y N 0.735 120.946 120.300 -0.149 0.000 2.114 631 Y HA -0.216 4.334 4.550 0.000 0.000 0.282 631 Y C 1.895 177.649 175.900 -0.243 0.000 1.165 631 Y CA 1.976 59.995 58.100 -0.135 0.000 1.148 631 Y CB -0.465 37.953 38.460 -0.070 0.000 0.972 631 Y HN 0.218 nan 8.280 nan 0.000 0.504 632 L N -0.036 120.835 121.223 -0.588 0.000 2.191 632 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 632 L C 2.204 178.843 176.870 -0.386 0.000 1.103 632 L CA 1.404 55.882 54.840 -0.603 0.000 0.769 632 L CB -0.429 41.296 42.059 -0.556 0.000 0.908 632 L HN 0.173 nan 8.230 nan 0.000 0.438 633 R N 0.068 120.401 120.500 -0.278 0.000 2.310 633 R HA 0.139 4.479 4.340 -0.000 0.000 0.202 633 R C 1.093 177.295 176.300 -0.164 0.000 0.933 633 R CA 0.541 56.529 56.100 -0.187 0.000 1.054 633 R CB 0.091 30.311 30.300 -0.134 0.000 0.985 633 R HN 0.366 nan 8.270 nan 0.000 0.489 634 G N 2.042 110.722 108.800 -0.199 0.000 2.272 634 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.280 634 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.280 634 G C -0.455 174.403 174.900 -0.070 0.000 1.067 634 G CA 0.239 45.260 45.100 -0.133 0.000 0.902 634 G HN 0.404 nan 8.290 nan 0.000 0.500 635 E N -0.676 119.491 120.200 -0.055 0.000 2.312 635 E HA 0.687 5.037 4.350 -0.000 0.000 0.267 635 E C 0.406 177.000 176.600 -0.010 0.000 0.894 635 E CA -0.533 55.846 56.400 -0.036 0.000 0.773 635 E CB 1.690 31.361 29.700 -0.049 0.000 1.241 635 E HN 0.689 nan 8.360 nan 0.000 0.432 636 A N 3.264 126.072 122.820 -0.020 0.000 2.492 636 A HA 0.286 4.606 4.320 -0.000 0.000 0.254 636 A C -2.087 175.468 177.584 -0.048 0.000 1.091 636 A CA -0.996 51.023 52.037 -0.030 0.000 0.768 636 A CB -0.430 18.541 19.000 -0.049 0.000 1.028 636 A HN 0.285 nan 8.150 nan 0.000 0.498 637 P HA 0.257 nan 4.420 nan 0.000 0.275 637 P C -0.645 176.571 177.300 -0.140 0.000 1.228 637 P CA -0.105 62.947 63.100 -0.079 0.000 0.786 637 P CB 0.923 32.592 31.700 -0.052 0.000 0.927 638 V N 4.037 123.873 119.914 -0.131 0.000 2.394 638 V HA 0.309 4.429 4.120 -0.000 0.000 0.282 638 V C 0.462 176.425 176.094 -0.219 0.000 1.031 638 V CA -0.358 61.853 62.300 -0.148 0.000 0.881 638 V CB 0.862 32.631 31.823 -0.089 0.000 0.982 638 V HN 0.375 nan 8.190 nan 0.000 0.451 639 L N 4.726 125.763 121.223 -0.310 0.000 2.354 639 L HA 0.619 4.959 4.340 -0.000 0.000 0.269 639 L C -0.184 176.425 176.870 -0.435 0.000 1.005 639 L CA -0.396 54.123 54.840 -0.536 0.000 0.819 639 L CB 2.110 43.630 42.059 -0.899 0.000 1.311 639 L HN 0.504 nan 8.230 nan 0.000 0.423 640 N N 1.772 120.257 118.700 -0.358 0.000 2.407 640 N HA 0.460 5.200 4.740 -0.000 0.000 0.277 640 N C -1.572 173.749 175.510 -0.315 0.000 0.995 640 N CA -0.352 52.558 53.050 -0.234 0.000 0.903 640 N CB 1.620 40.069 38.487 -0.063 0.000 1.218 640 N HN 0.447 nan 8.380 nan 0.000 0.487 641 Y N 0.105 120.342 120.300 -0.104 0.000 2.462 641 Y HA 0.292 4.842 4.550 -0.000 0.000 0.346 641 Y C -0.225 175.498 175.900 -0.295 0.000 0.976 641 Y CA -1.028 57.006 58.100 -0.111 0.000 1.044 641 Y CB 1.746 40.147 38.460 -0.099 0.000 1.230 641 Y HN 0.455 nan 8.280 nan 0.000 0.455 642 H N 1.457 120.614 119.070 0.145 0.000 2.539 642 H HA 0.371 4.927 4.556 -0.000 0.000 0.247 642 H C -0.734 174.611 175.328 0.029 0.000 1.363 642 H CA -0.899 55.202 56.048 0.089 0.000 1.371 642 H CB 0.192 29.992 29.762 0.063 0.000 1.438 642 H HN 0.364 nan 8.280 nan 0.000 0.523 643 R N 1.133 121.555 120.500 -0.130 0.000 2.442 643 R HA 0.029 4.369 4.340 -0.000 0.000 0.291 643 R C 0.627 176.857 176.300 -0.116 0.000 1.069 643 R CA -0.306 55.592 56.100 -0.338 0.000 1.022 643 R CB 0.510 30.255 30.300 -0.926 0.000 0.976 643 R HN 0.477 nan 8.270 nan 0.000 0.443 644 F N 4.470 124.338 119.950 -0.136 0.000 2.065 644 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 644 F C 1.893 177.626 175.800 -0.111 0.000 1.112 644 F CA 1.718 59.655 58.000 -0.105 0.000 1.212 644 F CB -0.150 38.770 39.000 -0.133 0.000 0.975 644 F HN 0.725 nan 8.300 nan 0.000 0.476 645 W N 0.371 121.563 121.300 -0.180 0.000 2.374 645 W HA -0.206 4.454 4.660 -0.000 0.000 0.288 645 W C 1.897 178.262 176.519 -0.257 0.000 1.218 645 W CA 1.607 58.652 57.345 -0.500 0.000 1.245 645 W CB -1.648 27.463 29.460 -0.582 0.000 1.126 645 W HN 0.263 nan 8.180 nan 0.000 0.545 646 H N 0.956 119.514 119.070 -0.853 0.000 2.321 646 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 646 H C 2.282 177.429 175.328 -0.301 0.000 1.087 646 H CA 1.684 57.328 56.048 -0.673 0.000 1.319 646 H CB 0.165 29.550 29.762 -0.627 0.000 1.379 646 H HN 0.089 nan 8.280 nan 0.000 0.501 647 E N 0.565 120.667 120.200 -0.162 0.000 2.077 647 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 647 E C 2.511 179.002 176.600 -0.182 0.000 0.989 647 E CA 0.641 56.941 56.400 -0.168 0.000 0.800 647 E CB -0.361 29.143 29.700 -0.327 0.000 0.746 647 E HN 0.278 nan 8.360 nan 0.000 0.452 648 V N 2.021 121.766 119.914 -0.282 0.000 2.323 648 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 648 V C 2.045 178.156 176.094 0.029 0.000 1.041 648 V CA 1.661 63.873 62.300 -0.147 0.000 1.025 648 V CB -0.443 31.289 31.823 -0.152 0.000 0.656 648 V HN 0.091 nan 8.190 nan 0.000 0.451 649 D N 0.042 120.503 120.400 0.101 0.000 2.133 649 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 649 D C 1.999 178.359 176.300 0.099 0.000 0.997 649 D CA 1.389 55.518 54.000 0.216 0.000 0.840 649 D CB -0.090 40.981 40.800 0.451 0.000 0.947 649 D HN 0.333 nan 8.370 nan 0.000 0.452 650 L N 0.804 122.065 121.223 0.064 0.000 2.027 650 L HA -0.038 4.301 4.340 -0.000 0.000 0.206 650 L C 2.197 179.110 176.870 0.073 0.000 1.074 650 L CA 1.923 56.807 54.840 0.073 0.000 0.745 650 L CB -0.888 41.232 42.059 0.102 0.000 0.898 650 L HN -0.041 nan 8.230 nan 0.000 0.433 651 A N -0.797 122.064 122.820 0.070 0.000 1.873 651 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 651 A C 2.271 179.993 177.584 0.230 0.000 1.193 651 A CA 2.474 54.603 52.037 0.155 0.000 0.629 651 A CB -1.336 17.723 19.000 0.099 0.000 0.826 651 A HN 0.312 nan 8.150 nan 0.000 0.447 652 V N -0.132 119.816 119.914 0.056 0.000 2.392 652 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 652 V C 3.033 179.041 176.094 -0.143 0.000 1.059 652 V CA 2.006 64.206 62.300 -0.166 0.000 1.051 652 V CB -1.327 30.133 31.823 -0.605 0.000 0.658 652 V HN 0.661 nan 8.190 nan 0.000 0.455 653 A N -0.423 122.360 122.820 -0.061 0.000 1.877 653 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 653 A C 2.239 179.794 177.584 -0.049 0.000 1.186 653 A CA 2.345 54.366 52.037 -0.028 0.000 0.620 653 A CB -0.524 18.486 19.000 0.017 0.000 0.822 653 A HN 0.491 nan 8.150 nan 0.000 0.443 654 M N -0.499 119.100 119.600 -0.002 0.000 2.108 654 M HA -0.188 4.292 4.480 -0.000 0.000 0.257 654 M C 2.251 178.538 176.300 -0.023 0.000 1.071 654 M CA 1.695 57.012 55.300 0.029 0.000 1.093 654 M CB -0.701 31.982 32.600 0.137 0.000 1.345 654 M HN 0.519 nan 8.290 nan 0.000 0.403 655 G N -0.652 108.080 108.800 -0.112 0.000 2.408 655 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.217 655 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.217 655 G C 1.470 176.200 174.900 -0.283 0.000 1.150 655 G CA 0.770 45.653 45.100 -0.363 0.000 0.776 655 G HN 0.337 nan 8.290 nan 0.000 0.542 656 V N 0.674 120.502 119.914 -0.145 0.000 2.358 656 V HA -0.081 4.039 4.120 -0.000 0.000 0.246 656 V C 2.807 178.943 176.094 0.070 0.000 1.047 656 V CA 0.969 63.269 62.300 0.001 0.000 1.035 656 V CB -0.355 31.524 31.823 0.094 0.000 0.658 656 V HN 0.201 nan 8.190 nan 0.000 0.452 657 L N 0.579 121.814 121.223 0.019 0.000 2.012 657 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 657 L C 2.652 179.560 176.870 0.064 0.000 1.073 657 L CA 2.400 57.277 54.840 0.062 0.000 0.748 657 L CB -1.652 40.236 42.059 -0.285 0.000 0.891 657 L HN 0.330 nan 8.230 nan 0.000 0.431 658 A N -1.783 121.021 122.820 -0.026 0.000 1.933 658 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 658 A C 2.341 179.790 177.584 -0.224 0.000 1.175 658 A CA 2.275 54.264 52.037 -0.079 0.000 0.628 658 A CB -0.829 18.083 19.000 -0.146 0.000 0.814 658 A HN 0.457 nan 8.150 nan 0.000 0.444 659 T N -1.820 112.513 114.554 -0.369 0.000 2.809 659 T HA -0.041 4.309 4.350 -0.000 0.000 0.260 659 T C 1.499 175.772 174.700 -0.710 0.000 1.039 659 T CA 1.671 63.380 62.100 -0.651 0.000 1.141 659 T CB -0.311 67.999 68.868 -0.930 0.000 0.869 659 T HN 0.630 nan 8.240 nan 0.000 0.437 660 Y N -1.008 119.110 120.300 -0.304 0.000 2.507 660 Y HA 0.375 4.925 4.550 -0.000 0.000 0.263 660 Y C 0.239 175.593 175.900 -0.910 0.000 1.093 660 Y CA -0.387 57.350 58.100 -0.604 0.000 1.285 660 Y CB 0.545 38.559 38.460 -0.743 0.000 1.115 660 Y HN 0.087 nan 8.280 nan 0.000 0.533 661 F N 0.827 120.815 119.950 0.062 0.000 2.584 661 F HA 0.377 4.904 4.527 -0.000 0.000 0.328 661 F C -2.055 173.762 175.800 0.030 0.000 1.407 661 F CA -2.706 55.321 58.000 0.045 0.000 1.145 661 F CB 0.698 39.729 39.000 0.051 0.000 1.440 661 F HN -0.154 nan 8.300 nan 0.000 0.580 662 P HA -0.111 nan 4.420 nan 0.000 0.225 662 P C 0.590 177.930 177.300 0.066 0.000 1.148 662 P CA 1.273 64.392 63.100 0.031 0.000 0.779 662 P CB 0.455 32.125 31.700 -0.050 0.000 0.780 663 D N -1.121 119.338 120.400 0.099 0.000 2.348 663 D HA 0.097 4.737 4.640 -0.000 0.000 0.211 663 D C 1.131 177.493 176.300 0.103 0.000 0.998 663 D CA 0.352 54.400 54.000 0.080 0.000 0.873 663 D CB -0.073 40.769 40.800 0.070 0.000 0.925 663 D HN 0.259 nan 8.370 nan 0.000 0.524 664 M N 0.165 119.874 119.600 0.182 0.000 2.240 664 M HA 0.130 4.610 4.480 -0.000 0.000 0.333 664 M C 0.251 176.665 176.300 0.190 0.000 1.110 664 M CA 0.738 56.176 55.300 0.230 0.000 1.173 664 M CB 1.208 34.002 32.600 0.324 0.000 1.458 664 M HN -0.309 nan 8.290 nan 0.000 0.458 665 T N 1.307 115.907 114.554 0.076 0.000 2.952 665 T HA 0.302 4.652 4.350 -0.000 0.000 0.305 665 T C -1.412 173.109 174.700 -0.298 0.000 1.064 665 T CA -0.537 61.450 62.100 -0.188 0.000 1.008 665 T CB 0.884 69.705 68.868 -0.079 0.000 1.078 665 T HN 0.459 nan 8.240 nan 0.000 0.459 666 Y N 2.900 122.769 120.300 -0.717 0.000 2.597 666 Y HA 0.452 5.002 4.550 -0.000 0.000 0.336 666 Y C 0.043 175.848 175.900 -0.158 0.000 1.216 666 Y CA 0.198 58.052 58.100 -0.411 0.000 1.463 666 Y CB 0.067 38.283 38.460 -0.406 0.000 1.303 666 Y HN 0.684 nan 8.280 nan 0.000 0.576 667 K N 5.245 125.140 120.400 -0.841 0.000 2.469 667 K HA 0.676 4.996 4.320 -0.000 0.000 0.254 667 K C -1.135 174.838 176.600 -1.046 0.000 0.939 667 K CA -0.413 55.429 56.287 -0.741 0.000 0.812 667 K CB 0.758 33.053 32.500 -0.342 0.000 1.301 667 K HN 1.269 nan 8.250 nan 0.000 0.433 668 V N 1.037 120.507 119.914 -0.740 0.000 2.493 668 V HA 0.388 4.508 4.120 -0.000 0.000 0.292 668 V C -1.637 174.162 176.094 -0.492 0.000 1.016 668 V CA -1.158 60.727 62.300 -0.693 0.000 1.097 668 V CB -0.152 31.304 31.823 -0.612 0.000 0.947 668 V HN 0.860 nan 8.190 nan 0.000 0.479 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 63.005 63.100 -0.158 0.000 0.800 669 P CB 0.000 31.711 31.700 0.019 0.000 0.726