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 2c10_1_A DATA FIRST_RESID 41 DATA SEQUENCE cXXXXXXXXX XXXXXXXQLF ADLSREELTA VMRFLTQRLG PGLVDAAQAR DATA SEQUENCE PSDNCVFSVE LQLPPKAAAL AHLDRGSPPP AREALAIVFF GRQPQPNVSE DATA SEQUENCE LVVGPLPHPS YMRDVTVERH GGPLPYHRRP VLFQEYLDID QMIFNRELPQ DATA SEQUENCE ASGLLHHCCF YKHRGRNLVT MTTAPRGLQS GDRATWFGLY YNISGAGFFL DATA SEQUENCE HHVGLELLVN HKALDPARWT IQKVFYQGRY YDSLAQLEAQ FEAGLVNVVL DATA SEQUENCE IPDNGTGGSW SLKSPVPPGP APPLQFYPQG PRFSVQGSRV ASSLWTFSFG DATA SEQUENCE LGAFSGPRIF DVRFQGERLV YEISLQEALA IYGGNSPAAM TTRYVDGGFG DATA SEQUENCE MGKYTTPLTR GVDcPYLATY VDWHFLLESQ APKTIRDAFc VFEQNQGLPL DATA SEQUENCE RRHHSDLYSH YFGGLAETVL VVRSMSTLLN XDYVWDTVFH PSGAIEIRFY DATA SEQUENCE ATGYISSAFL FGATGKYGNQ VSEHTLGTVH THSAHFKVDL DVAGLENWVW DATA SEQUENCE AEDMVFVPMA VPWSPEHQLQ RLQVTRKLLE MEEQAAFLVG SATPRYLYLA DATA SEQUENCE SNHSNKWGHP RGYRIQMLSF AGEPLPQNSS MARGFSWERY QLAVTQRKEE DATA SEQUENCE EPSSSSVFNQ NDPWAPTVDF SDFINNETIA GKDLVAWVTA GFLHIPHAED DATA SEQUENCE IPNTVTVGNG VGFFLRPYNF FDEDPSFYSA DSIYFRGDQD AGAcEVNPLA DATA SEQUENCE cLPQAAAcAP DLPAFSHGGF SH 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 41 c HA 0.000 nan 4.570 nan 0.000 0.325 41 c C 0.000 174.145 174.090 0.092 0.000 1.270 41 c CA 0.000 56.394 56.329 0.109 0.000 1.963 41 c CB 0.000 42.608 42.510 0.163 0.000 2.134 59 L N -0.260 120.788 121.223 -0.292 0.000 2.189 59 L HA -0.092 4.251 4.340 0.004 0.000 0.214 59 L C 1.272 177.711 176.870 -0.719 0.000 1.097 59 L CA 2.187 56.658 54.840 -0.616 0.000 0.764 59 L CB -0.273 41.183 42.059 -1.005 0.000 0.900 59 L HN 0.516 nan 8.230 nan 0.000 0.436 60 F N -1.637 118.188 119.950 -0.208 0.000 2.706 60 F HA 0.414 4.943 4.527 0.004 0.000 0.313 60 F C 1.270 176.962 175.800 -0.180 0.000 1.096 60 F CA -0.325 57.484 58.000 -0.320 0.000 1.219 60 F CB -0.230 38.510 39.000 -0.434 0.000 1.051 60 F HN -0.148 nan 8.300 nan 0.000 0.568 61 A N 0.878 123.689 122.820 -0.014 0.000 2.520 61 A HA 0.108 4.431 4.320 0.004 0.000 0.245 61 A C 0.090 177.682 177.584 0.013 0.000 1.072 61 A CA -0.412 51.605 52.037 -0.033 0.000 0.761 61 A CB -0.141 18.820 19.000 -0.063 0.000 1.004 61 A HN 0.120 nan 8.150 nan 0.000 0.499 62 D N 1.166 121.615 120.400 0.081 0.000 2.443 62 D HA 0.098 4.741 4.640 0.004 0.000 0.234 62 D C 0.495 176.835 176.300 0.067 0.000 1.172 62 D CA 0.535 54.625 54.000 0.149 0.000 0.878 62 D CB 0.310 41.307 40.800 0.328 0.000 1.204 62 D HN 0.456 nan 8.370 nan 0.000 0.453 63 L N 1.311 122.558 121.223 0.039 0.000 2.490 63 L HA 0.012 4.354 4.340 0.004 0.000 0.274 63 L C 1.348 178.198 176.870 -0.034 0.000 1.201 63 L CA -0.139 54.690 54.840 -0.018 0.000 0.869 63 L CB 0.108 42.147 42.059 -0.033 0.000 1.123 63 L HN 0.382 nan 8.230 nan 0.000 0.484 64 S N 3.096 118.756 115.700 -0.067 0.000 2.655 64 S HA 0.284 4.757 4.470 0.004 0.000 0.265 64 S C 1.145 175.626 174.600 -0.197 0.000 1.240 64 S CA -0.722 57.403 58.200 -0.125 0.000 0.986 64 S CB 1.199 64.322 63.200 -0.127 0.000 0.985 64 S HN 0.605 nan 8.310 nan 0.000 0.562 65 R N 0.649 120.949 120.500 -0.332 0.000 2.115 65 R HA -0.185 4.158 4.340 0.004 0.000 0.239 65 R C 2.397 178.587 176.300 -0.185 0.000 1.133 65 R CA 2.153 58.078 56.100 -0.292 0.000 0.935 65 R CB -0.728 29.364 30.300 -0.347 0.000 0.853 65 R HN 0.866 nan 8.270 nan 0.000 0.433 66 E N 0.592 120.695 120.200 -0.161 0.000 2.085 66 E HA -0.230 4.123 4.350 0.004 0.000 0.194 66 E C 1.828 178.365 176.600 -0.104 0.000 0.994 66 E CA 1.486 57.817 56.400 -0.115 0.000 0.801 66 E CB 0.116 29.754 29.700 -0.104 0.000 0.743 66 E HN 0.409 nan 8.360 nan 0.000 0.453 67 E N 0.109 120.239 120.200 -0.115 0.000 2.072 67 E HA -0.165 4.187 4.350 0.004 0.000 0.191 67 E C 2.290 178.838 176.600 -0.088 0.000 0.985 67 E CA 0.783 57.120 56.400 -0.107 0.000 0.801 67 E CB -0.024 29.611 29.700 -0.108 0.000 0.750 67 E HN 0.266 nan 8.360 nan 0.000 0.452 68 L N 0.751 121.917 121.223 -0.096 0.000 2.017 68 L HA -0.200 4.142 4.340 0.004 0.000 0.208 68 L C 2.620 179.451 176.870 -0.065 0.000 1.073 68 L CA 1.389 56.178 54.840 -0.084 0.000 0.745 68 L CB -0.752 41.234 42.059 -0.121 0.000 0.894 68 L HN 0.159 nan 8.230 nan 0.000 0.432 69 T N 0.004 114.513 114.554 -0.075 0.000 2.635 69 T HA -0.272 4.080 4.350 0.004 0.000 0.267 69 T C 2.003 176.693 174.700 -0.017 0.000 1.040 69 T CA 1.584 63.654 62.100 -0.050 0.000 1.156 69 T CB -0.396 68.437 68.868 -0.058 0.000 0.863 69 T HN 0.475 nan 8.240 nan 0.000 0.430 70 A N 0.757 123.563 122.820 -0.022 0.000 1.908 70 A HA -0.062 4.261 4.320 0.004 0.000 0.218 70 A C 2.610 180.218 177.584 0.039 0.000 1.181 70 A CA 1.509 53.549 52.037 0.005 0.000 0.627 70 A CB -0.977 18.003 19.000 -0.033 0.000 0.818 70 A HN 0.375 nan 8.150 nan 0.000 0.445 71 V N -0.795 119.126 119.914 0.013 0.000 2.379 71 V HA -0.243 3.880 4.120 0.004 0.000 0.245 71 V C 2.533 178.692 176.094 0.108 0.000 1.044 71 V CA 2.190 64.523 62.300 0.055 0.000 1.036 71 V CB -0.607 31.224 31.823 0.013 0.000 0.664 71 V HN 0.640 nan 8.190 nan 0.000 0.453 72 M N 0.366 119.998 119.600 0.054 0.000 2.086 72 M HA -0.145 4.337 4.480 0.004 0.000 0.261 72 M C 2.220 178.555 176.300 0.059 0.000 1.067 72 M CA 1.846 57.172 55.300 0.044 0.000 1.116 72 M CB -0.825 31.778 32.600 0.006 0.000 1.348 72 M HN 0.177 nan 8.290 nan 0.000 0.407 73 R N -1.274 119.264 120.500 0.064 0.000 2.083 73 R HA -0.215 4.128 4.340 0.004 0.000 0.237 73 R C 2.201 178.565 176.300 0.105 0.000 1.137 73 R CA 2.054 58.195 56.100 0.069 0.000 0.951 73 R CB -0.717 29.623 30.300 0.068 0.000 0.851 73 R HN 0.438 nan 8.270 nan 0.000 0.434 74 F N 1.169 121.118 119.950 -0.001 0.000 2.134 74 F HA -0.129 4.400 4.527 0.004 0.000 0.299 74 F C 1.875 177.686 175.800 0.020 0.000 1.097 74 F CA 1.379 59.382 58.000 0.005 0.000 1.264 74 F CB -0.174 38.819 39.000 -0.010 0.000 1.001 74 F HN -0.007 nan 8.300 nan 0.000 0.479 75 L N -0.339 120.943 121.223 0.098 0.000 2.046 75 L HA -0.239 4.103 4.340 0.004 0.000 0.208 75 L C 2.552 179.401 176.870 -0.034 0.000 1.077 75 L CA 1.888 56.742 54.840 0.024 0.000 0.747 75 L CB -1.299 40.810 42.059 0.084 0.000 0.896 75 L HN 0.271 nan 8.230 nan 0.000 0.432 76 T N -3.358 111.185 114.554 -0.017 0.000 2.833 76 T HA -0.230 4.122 4.350 0.004 0.000 0.269 76 T C 1.779 176.447 174.700 -0.053 0.000 1.054 76 T CA 1.065 63.154 62.100 -0.019 0.000 1.135 76 T CB -0.282 68.585 68.868 -0.002 0.000 0.869 76 T HN 0.353 nan 8.240 nan 0.000 0.466 77 Q N 0.163 119.900 119.800 -0.105 0.000 2.079 77 Q HA 0.038 4.380 4.340 0.004 0.000 0.200 77 Q C 2.683 178.568 176.000 -0.191 0.000 0.974 77 Q CA 0.965 56.681 55.803 -0.146 0.000 0.840 77 Q CB 0.033 28.657 28.738 -0.191 0.000 0.898 77 Q HN 0.379 nan 8.270 nan 0.000 0.430 78 R N -0.172 120.156 120.500 -0.287 0.000 2.189 78 R HA 0.119 4.461 4.340 0.004 0.000 0.203 78 R C 1.908 178.161 176.300 -0.079 0.000 1.012 78 R CA 0.429 56.377 56.100 -0.254 0.000 1.015 78 R CB 0.053 30.077 30.300 -0.461 0.000 0.938 78 R HN 0.271 nan 8.270 nan 0.000 0.472 79 L N 0.492 121.703 121.223 -0.021 0.000 2.599 79 L HA 0.105 4.447 4.340 0.004 0.000 0.230 79 L C 0.834 177.753 176.870 0.082 0.000 1.141 79 L CA 0.366 55.257 54.840 0.086 0.000 0.877 79 L CB -0.422 41.714 42.059 0.128 0.000 1.009 79 L HN 0.292 nan 8.230 nan 0.000 0.447 80 G N 0.463 109.280 108.800 0.028 0.000 2.760 80 G HA2 -0.205 3.757 3.960 0.004 0.000 0.246 80 G HA3 -0.205 3.757 3.960 0.004 0.000 0.246 80 G C -2.193 172.728 174.900 0.035 0.000 1.359 80 G CA -0.383 44.734 45.100 0.028 0.000 0.861 80 G HN 0.071 nan 8.290 nan 0.000 0.541 81 P HA 0.152 nan 4.420 nan 0.000 0.236 81 P C 1.667 178.992 177.300 0.043 0.000 1.177 81 P CA 1.419 64.537 63.100 0.030 0.000 0.773 81 P CB -0.022 31.692 31.700 0.023 0.000 0.878 82 G N -0.237 108.599 108.800 0.060 0.000 2.882 82 G HA2 -0.012 3.950 3.960 0.004 0.000 0.206 82 G HA3 -0.012 3.950 3.960 0.004 0.000 0.206 82 G C 0.221 175.168 174.900 0.077 0.000 1.155 82 G CA -0.037 45.107 45.100 0.073 0.000 0.800 82 G HN 0.214 nan 8.290 nan 0.000 0.524 83 L N 1.411 122.672 121.223 0.063 0.000 2.290 83 L HA 0.555 4.897 4.340 0.004 0.000 0.284 83 L C -0.359 176.539 176.870 0.046 0.000 1.078 83 L CA -0.472 54.399 54.840 0.051 0.000 0.815 83 L CB 1.718 43.800 42.059 0.038 0.000 1.162 83 L HN -0.135 nan 8.230 nan 0.000 0.435 84 V N 3.679 123.624 119.914 0.051 0.000 2.769 84 V HA 0.311 4.433 4.120 0.004 0.000 0.312 84 V C -0.396 175.731 176.094 0.056 0.000 1.061 84 V CA -1.080 61.254 62.300 0.057 0.000 0.931 84 V CB 1.892 33.758 31.823 0.072 0.000 1.010 84 V HN 0.672 nan 8.190 nan 0.000 0.433 85 D N 2.445 122.879 120.400 0.055 0.000 2.520 85 D HA 0.046 4.689 4.640 0.004 0.000 0.243 85 D C 1.066 177.417 176.300 0.085 0.000 1.160 85 D CA 0.742 54.778 54.000 0.060 0.000 0.877 85 D CB 1.664 42.499 40.800 0.058 0.000 1.150 85 D HN 0.705 nan 8.370 nan 0.000 0.494 86 A N 4.270 127.140 122.820 0.083 0.000 2.070 86 A HA -0.047 4.276 4.320 0.004 0.000 0.220 86 A C 2.133 179.820 177.584 0.171 0.000 1.159 86 A CA 1.598 53.703 52.037 0.115 0.000 0.656 86 A CB -0.351 18.695 19.000 0.076 0.000 0.800 86 A HN 0.668 nan 8.150 nan 0.000 0.453 87 A N -0.858 122.058 122.820 0.160 0.000 2.024 87 A HA -0.156 4.166 4.320 0.004 0.000 0.220 87 A C 1.753 179.449 177.584 0.186 0.000 1.164 87 A CA 1.673 53.825 52.037 0.192 0.000 0.643 87 A CB -0.255 18.828 19.000 0.137 0.000 0.806 87 A HN 0.647 nan 8.150 nan 0.000 0.451 88 Q N -1.186 118.704 119.800 0.151 0.000 2.084 88 Q HA 0.480 4.822 4.340 0.004 0.000 0.230 88 Q C -0.040 176.045 176.000 0.141 0.000 0.806 88 Q CA 0.064 55.951 55.803 0.140 0.000 1.083 88 Q CB 0.883 29.683 28.738 0.103 0.000 1.208 88 Q HN 0.486 nan 8.270 nan 0.000 0.462 89 A N 1.527 124.445 122.820 0.163 0.000 2.488 89 A HA 0.289 4.611 4.320 0.004 0.000 0.249 89 A C 0.062 177.757 177.584 0.184 0.000 1.083 89 A CA -0.129 52.008 52.037 0.167 0.000 0.768 89 A CB 0.291 19.403 19.000 0.188 0.000 1.017 89 A HN 0.271 nan 8.150 nan 0.000 0.496 90 R N 2.718 123.312 120.500 0.157 0.000 2.615 90 R HA 0.208 4.550 4.340 0.004 0.000 0.270 90 R C -1.831 174.594 176.300 0.208 0.000 1.081 90 R CA -1.514 54.677 56.100 0.152 0.000 1.154 90 R CB -0.023 30.335 30.300 0.096 0.000 1.063 90 R HN 0.434 nan 8.270 nan 0.000 0.519 91 P HA -0.175 nan 4.420 nan 0.000 0.218 91 P C 0.766 178.249 177.300 0.305 0.000 1.146 91 P CA 1.401 64.688 63.100 0.312 0.000 0.813 91 P CB 0.198 32.103 31.700 0.342 0.000 0.778 92 S N -2.999 112.814 115.700 0.187 0.000 2.605 92 S HA 0.086 4.558 4.470 0.004 0.000 0.217 92 S C 0.577 175.246 174.600 0.116 0.000 0.958 92 S CA -0.345 57.924 58.200 0.115 0.000 0.919 92 S CB -0.588 62.651 63.200 0.065 0.000 0.780 92 S HN -0.022 nan 8.310 nan 0.000 0.507 93 D N 2.839 123.337 120.400 0.163 0.000 2.329 93 D HA 0.292 4.935 4.640 0.004 0.000 0.246 93 D C -0.411 175.995 176.300 0.177 0.000 1.111 93 D CA -0.124 53.966 54.000 0.150 0.000 0.941 93 D CB 0.514 41.401 40.800 0.146 0.000 1.169 93 D HN 0.164 nan 8.370 nan 0.000 0.441 94 N N 0.142 118.926 118.700 0.140 0.000 2.455 94 N HA 0.341 5.083 4.740 0.004 0.000 0.280 94 N C -0.330 175.216 175.510 0.060 0.000 1.055 94 N CA -0.307 52.805 53.050 0.102 0.000 0.961 94 N CB 0.835 39.394 38.487 0.119 0.000 1.121 94 N HN 0.425 nan 8.380 nan 0.000 0.476 95 C N -0.969 118.345 119.300 0.022 0.000 3.285 95 C HA 0.567 5.029 4.460 0.004 0.000 0.325 95 C C -0.613 174.331 174.990 -0.077 0.000 1.304 95 C CA -0.952 58.069 59.018 0.004 0.000 1.319 95 C CB 0.527 28.305 27.740 0.065 0.000 1.640 95 C HN 0.349 nan 8.230 nan 0.000 0.477 96 V N 2.889 122.767 119.914 -0.061 0.000 2.368 96 V HA 0.249 4.372 4.120 0.004 0.000 0.266 96 V C 0.704 176.752 176.094 -0.077 0.000 1.045 96 V CA 0.135 62.398 62.300 -0.061 0.000 0.899 96 V CB 0.643 32.456 31.823 -0.015 0.000 1.006 96 V HN 0.890 nan 8.190 nan 0.000 0.470 97 F N 4.260 123.987 119.950 -0.371 0.000 2.206 97 F HA 0.067 4.596 4.527 0.004 0.000 0.298 97 F C 1.188 176.943 175.800 -0.076 0.000 1.090 97 F CA 0.934 58.669 58.000 -0.442 0.000 1.323 97 F CB 0.373 38.851 39.000 -0.871 0.000 1.028 97 F HN 0.615 nan 8.300 nan 0.000 0.492 98 S N -1.143 114.526 115.700 -0.051 0.000 2.565 98 S HA 0.615 5.088 4.470 0.004 0.000 0.274 98 S C -1.590 173.052 174.600 0.071 0.000 1.144 98 S CA -0.855 57.316 58.200 -0.049 0.000 0.849 98 S CB 1.423 64.606 63.200 -0.029 0.000 1.103 98 S HN -0.020 nan 8.310 nan 0.000 0.455 99 V N 2.085 122.025 119.914 0.042 0.000 2.623 99 V HA 0.821 4.944 4.120 0.004 0.000 0.304 99 V C -0.545 175.578 176.094 0.049 0.000 1.054 99 V CA -0.332 62.006 62.300 0.062 0.000 0.882 99 V CB 1.288 33.130 31.823 0.032 0.000 1.002 99 V HN 1.158 nan 8.190 nan 0.000 0.424 100 E N 3.924 124.175 120.200 0.085 0.000 2.454 100 E HA 0.633 4.985 4.350 0.004 0.000 0.279 100 E C -1.235 175.424 176.600 0.099 0.000 1.029 100 E CA -1.228 55.224 56.400 0.086 0.000 0.831 100 E CB 1.906 31.675 29.700 0.115 0.000 1.405 100 E HN 0.392 nan 8.360 nan 0.000 0.463 101 L N 1.451 122.735 121.223 0.102 0.000 2.525 101 L HA 0.094 4.437 4.340 0.004 0.000 0.278 101 L C -0.264 176.671 176.870 0.109 0.000 1.218 101 L CA 0.523 55.413 54.840 0.083 0.000 0.878 101 L CB 0.569 42.676 42.059 0.081 0.000 1.127 101 L HN 0.616 nan 8.230 nan 0.000 0.492 102 Q N 4.655 124.505 119.800 0.083 0.000 2.349 102 Q HA 0.375 4.718 4.340 0.004 0.000 0.254 102 Q C -1.042 175.001 176.000 0.072 0.000 0.980 102 Q CA -0.048 55.815 55.803 0.100 0.000 0.924 102 Q CB 0.460 29.255 28.738 0.095 0.000 1.209 102 Q HN 0.701 nan 8.270 nan 0.000 0.445 103 L N 6.759 128.046 121.223 0.106 0.000 2.525 103 L HA 0.174 4.516 4.340 0.004 0.000 0.278 103 L C -1.685 175.224 176.870 0.064 0.000 1.218 103 L CA -1.255 53.636 54.840 0.086 0.000 0.878 103 L CB 0.013 42.182 42.059 0.185 0.000 1.127 103 L HN 0.624 nan 8.230 nan 0.000 0.492 104 P HA 0.208 nan 4.420 nan 0.000 0.278 104 P C -2.529 174.815 177.300 0.074 0.000 1.238 104 P CA -1.639 61.453 63.100 -0.013 0.000 0.794 104 P CB -0.017 31.595 31.700 -0.147 0.000 0.955 105 P HA -0.013 nan 4.420 nan 0.000 0.262 105 P C 0.997 178.343 177.300 0.077 0.000 1.182 105 P CA 0.178 63.314 63.100 0.061 0.000 0.761 105 P CB 0.746 32.464 31.700 0.030 0.000 0.795 106 K N 3.405 123.831 120.400 0.044 0.000 2.032 106 K HA -0.204 4.118 4.320 0.004 0.000 0.209 106 K C 1.916 178.510 176.600 -0.010 0.000 1.048 106 K CA 1.766 58.025 56.287 -0.046 0.000 0.927 106 K CB -0.607 31.699 32.500 -0.324 0.000 0.712 106 K HN 0.432 nan 8.250 nan 0.000 0.441 107 A N 1.002 123.812 122.820 -0.017 0.000 1.892 107 A HA -0.195 4.128 4.320 0.004 0.000 0.218 107 A C 2.366 179.974 177.584 0.040 0.000 1.188 107 A CA 2.280 54.320 52.037 0.004 0.000 0.631 107 A CB -1.047 17.952 19.000 -0.003 0.000 0.822 107 A HN 0.539 nan 8.150 nan 0.000 0.447 108 A N -0.486 122.359 122.820 0.042 0.000 1.898 108 A HA 0.233 4.555 4.320 0.004 0.000 0.216 108 A C 2.517 180.151 177.584 0.083 0.000 1.181 108 A CA 1.949 54.015 52.037 0.047 0.000 0.620 108 A CB -1.029 17.983 19.000 0.019 0.000 0.819 108 A HN 1.106 nan 8.150 nan 0.000 0.442 109 A N -0.017 122.866 122.820 0.105 0.000 1.883 109 A HA -0.108 4.214 4.320 0.004 0.000 0.217 109 A C 2.170 179.899 177.584 0.242 0.000 1.186 109 A CA 1.628 53.762 52.037 0.161 0.000 0.624 109 A CB -0.649 18.513 19.000 0.270 0.000 0.822 109 A HN 0.478 nan 8.150 nan 0.000 0.444 110 L N -1.026 120.338 121.223 0.234 0.000 2.093 110 L HA -0.163 4.179 4.340 0.004 0.000 0.208 110 L C 3.117 180.066 176.870 0.132 0.000 1.085 110 L CA 0.918 55.879 54.840 0.201 0.000 0.755 110 L CB -0.652 41.498 42.059 0.152 0.000 0.904 110 L HN 0.459 nan 8.230 nan 0.000 0.435 111 A N -0.161 122.725 122.820 0.111 0.000 1.908 111 A HA -0.319 4.003 4.320 0.004 0.000 0.218 111 A C 2.129 179.772 177.584 0.098 0.000 1.181 111 A CA 2.194 54.283 52.037 0.086 0.000 0.627 111 A CB -0.853 18.190 19.000 0.071 0.000 0.818 111 A HN 0.545 nan 8.150 nan 0.000 0.445 112 H N -0.307 118.782 119.070 0.032 0.000 2.326 112 H HA 0.049 4.607 4.556 0.004 0.000 0.301 112 H C 1.669 177.017 175.328 0.034 0.000 1.081 112 H CA 1.930 57.989 56.048 0.018 0.000 1.334 112 H CB -0.255 29.502 29.762 -0.008 0.000 1.385 112 H HN 0.353 nan 8.280 nan 0.000 0.504 113 L N -0.313 120.889 121.223 -0.035 0.000 2.217 113 L HA -0.055 4.287 4.340 0.004 0.000 0.211 113 L C 1.313 178.158 176.870 -0.041 0.000 1.107 113 L CA 1.153 55.951 54.840 -0.069 0.000 0.783 113 L CB 0.000 42.127 42.059 0.113 0.000 0.919 113 L HN 0.341 nan 8.230 nan 0.000 0.442 114 D N -1.100 119.302 120.400 0.004 0.000 2.470 114 D HA 0.029 4.671 4.640 0.004 0.000 0.238 114 D C 1.837 178.137 176.300 -0.000 0.000 1.054 114 D CA 0.436 54.446 54.000 0.016 0.000 0.896 114 D CB 0.365 41.197 40.800 0.053 0.000 1.118 114 D HN 0.022 nan 8.370 nan 0.000 0.497 115 R N -0.263 120.237 120.500 0.001 0.000 2.397 115 R HA 0.321 4.664 4.340 0.004 0.000 0.241 115 R C 1.050 177.344 176.300 -0.010 0.000 0.914 115 R CA 0.579 56.681 56.100 0.003 0.000 1.071 115 R CB 0.768 31.080 30.300 0.020 0.000 1.116 115 R HN 0.132 nan 8.270 nan 0.000 0.524 116 G N 0.158 108.932 108.800 -0.044 0.000 2.148 116 G HA2 -0.297 3.666 3.960 0.004 0.000 0.254 116 G HA3 -0.297 3.666 3.960 0.004 0.000 0.254 116 G C 0.088 175.000 174.900 0.019 0.000 0.981 116 G CA 0.399 45.467 45.100 -0.054 0.000 0.670 116 G HN 0.304 nan 8.290 nan 0.000 0.528 117 S N 1.242 116.977 115.700 0.058 0.000 2.580 117 S HA 0.439 4.911 4.470 0.004 0.000 0.266 117 S C -1.812 172.895 174.600 0.178 0.000 1.354 117 S CA -0.445 57.812 58.200 0.095 0.000 1.008 117 S CB 0.757 64.005 63.200 0.079 0.000 0.898 117 S HN 0.266 nan 8.310 nan 0.000 0.555 118 P HA 0.176 nan 4.420 nan 0.000 0.268 118 P C -2.364 174.927 177.300 -0.016 0.000 1.204 118 P CA -1.050 62.086 63.100 0.061 0.000 0.768 118 P CB -0.445 31.264 31.700 0.015 0.000 0.842 119 P HA 0.033 nan 4.420 nan 0.000 0.265 119 P C -2.253 174.907 177.300 -0.234 0.000 1.187 119 P CA -0.688 62.102 63.100 -0.517 0.000 0.766 119 P CB -0.772 30.561 31.700 -0.611 0.000 0.820 120 P HA 0.110 nan 4.420 nan 0.000 0.272 120 P C -0.425 176.807 177.300 -0.113 0.000 1.230 120 P CA -0.301 62.733 63.100 -0.110 0.000 0.788 120 P CB 0.422 32.068 31.700 -0.090 0.000 0.949 121 A N 3.130 125.917 122.820 -0.055 0.000 2.545 121 A HA 0.024 4.346 4.320 0.004 0.000 0.253 121 A C 0.757 178.307 177.584 -0.057 0.000 1.074 121 A CA -0.034 51.983 52.037 -0.032 0.000 0.760 121 A CB -0.481 18.552 19.000 0.055 0.000 1.005 121 A HN 0.366 nan 8.150 nan 0.000 0.506 122 R N 2.394 122.837 120.500 -0.096 0.000 2.404 122 R HA 0.126 4.469 4.340 0.004 0.000 0.315 122 R C -0.279 175.964 176.300 -0.094 0.000 1.032 122 R CA 0.627 56.660 56.100 -0.113 0.000 0.992 122 R CB -0.025 30.192 30.300 -0.138 0.000 0.959 122 R HN 0.846 nan 8.270 nan 0.000 0.428 123 E N 0.877 121.039 120.200 -0.063 0.000 2.343 123 E HA 0.584 4.936 4.350 0.004 0.000 0.270 123 E C -1.170 175.418 176.600 -0.020 0.000 0.895 123 E CA -0.916 55.459 56.400 -0.041 0.000 0.767 123 E CB 2.186 31.906 29.700 0.033 0.000 1.248 123 E HN 0.595 nan 8.360 nan 0.000 0.440 124 A N 1.689 124.501 122.820 -0.014 0.000 2.355 124 A HA 0.654 4.977 4.320 0.004 0.000 0.324 124 A C -1.392 176.240 177.584 0.079 0.000 1.117 124 A CA -0.609 51.445 52.037 0.028 0.000 0.785 124 A CB 0.875 19.880 19.000 0.008 0.000 1.254 124 A HN 0.469 nan 8.150 nan 0.000 0.453 125 L N 1.861 123.155 121.223 0.118 0.000 2.287 125 L HA 0.737 5.079 4.340 0.004 0.000 0.287 125 L C 0.132 177.109 176.870 0.179 0.000 1.022 125 L CA 0.086 55.024 54.840 0.163 0.000 0.814 125 L CB 1.269 43.447 42.059 0.197 0.000 1.217 125 L HN 0.824 nan 8.230 nan 0.000 0.420 126 A N 6.270 129.201 122.820 0.186 0.000 2.318 126 A HA 0.702 5.024 4.320 0.004 0.000 0.324 126 A C -0.649 177.080 177.584 0.242 0.000 1.170 126 A CA -0.510 51.640 52.037 0.188 0.000 0.810 126 A CB 0.510 19.600 19.000 0.151 0.000 1.198 126 A HN 0.699 nan 8.150 nan 0.000 0.484 127 I N 2.913 123.654 120.570 0.285 0.000 2.315 127 I HA 0.346 4.519 4.170 0.004 0.000 0.291 127 I C -0.573 175.696 176.117 0.254 0.000 1.006 127 I CA -0.387 61.133 61.300 0.367 0.000 1.265 127 I CB 1.580 39.910 38.000 0.549 0.000 1.387 127 I HN 0.329 nan 8.210 nan 0.000 0.475 128 V N 6.837 126.883 119.914 0.221 0.000 2.555 128 V HA 0.390 4.512 4.120 0.004 0.000 0.302 128 V C -0.307 175.911 176.094 0.206 0.000 1.038 128 V CA -0.633 61.668 62.300 0.002 0.000 0.887 128 V CB 1.808 33.434 31.823 -0.329 0.000 0.991 128 V HN 0.428 nan 8.190 nan 0.000 0.434 129 F N 3.711 123.584 119.950 -0.129 0.000 2.334 129 F HA 0.451 4.980 4.527 0.004 0.000 0.367 129 F C -0.111 175.694 175.800 0.008 0.000 1.115 129 F CA -0.504 57.528 58.000 0.053 0.000 1.116 129 F CB 0.781 39.844 39.000 0.106 0.000 1.230 129 F HN 0.428 nan 8.300 nan 0.000 0.484 130 F N 2.064 122.253 119.950 0.399 0.000 2.425 130 F HA 0.226 4.755 4.527 0.004 0.000 0.354 130 F C 1.295 177.078 175.800 -0.028 0.000 1.162 130 F CA -0.309 57.795 58.000 0.174 0.000 1.250 130 F CB 0.723 39.783 39.000 0.101 0.000 1.579 130 F HN 0.569 nan 8.300 nan 0.000 0.589 131 G N 0.883 109.759 108.800 0.126 0.000 2.777 131 G HA2 -0.110 3.853 3.960 0.004 0.000 0.211 131 G HA3 -0.110 3.853 3.960 0.004 0.000 0.211 131 G C 1.167 176.031 174.900 -0.061 0.000 1.149 131 G CA -0.167 44.837 45.100 -0.160 0.000 0.785 131 G HN 0.285 nan 8.290 nan 0.000 0.536 132 R N 1.236 121.771 120.500 0.059 0.000 4.306 132 R HA 0.314 4.657 4.340 0.004 0.000 0.266 132 R C -0.006 176.316 176.300 0.036 0.000 1.624 132 R CA -0.355 55.779 56.100 0.056 0.000 1.487 132 R CB -0.798 29.559 30.300 0.096 0.000 1.441 132 R HN 0.530 nan 8.270 nan 0.000 0.750 133 Q N -0.742 119.050 119.800 -0.014 0.000 2.647 133 Q HA 0.327 4.670 4.340 0.004 0.000 0.283 133 Q C -2.376 173.593 176.000 -0.051 0.000 0.943 133 Q CA -1.726 54.061 55.803 -0.027 0.000 0.813 133 Q CB 1.219 29.940 28.738 -0.028 0.000 1.477 133 Q HN -0.030 nan 8.270 nan 0.000 0.393 134 P HA -0.209 nan 4.420 nan 0.000 0.216 134 P C -0.253 177.016 177.300 -0.051 0.000 1.154 134 P CA 1.542 64.618 63.100 -0.040 0.000 0.865 134 P CB 0.172 31.854 31.700 -0.031 0.000 0.789 135 Q N -0.002 119.763 119.800 -0.059 0.000 2.560 135 Q HA 0.379 4.721 4.340 0.004 0.000 0.238 135 Q C -2.541 173.402 176.000 -0.095 0.000 1.079 135 Q CA -2.205 53.560 55.803 -0.062 0.000 0.866 135 Q CB 0.711 29.423 28.738 -0.043 0.000 1.153 135 Q HN 0.240 nan 8.270 nan 0.000 0.530 136 P HA -0.023 nan 4.420 nan 0.000 0.265 136 P C -0.361 176.840 177.300 -0.165 0.000 1.193 136 P CA 0.328 63.214 63.100 -0.356 0.000 0.765 136 P CB 0.520 31.748 31.700 -0.788 0.000 0.823 137 N N 1.036 119.739 118.700 0.005 0.000 2.732 137 N HA 0.499 5.241 4.740 0.004 0.000 0.259 137 N C -1.819 173.906 175.510 0.357 0.000 1.402 137 N CA -1.089 52.071 53.050 0.184 0.000 0.829 137 N CB 1.246 39.784 38.487 0.085 0.000 1.495 137 N HN 0.156 nan 8.380 nan 0.000 0.511 138 V N -0.237 119.780 119.914 0.171 0.000 2.513 138 V HA 0.828 4.950 4.120 0.004 0.000 0.299 138 V C -0.988 175.212 176.094 0.177 0.000 1.035 138 V CA -0.149 62.246 62.300 0.160 0.000 0.889 138 V CB 1.232 32.977 31.823 -0.130 0.000 0.988 138 V HN 0.812 nan 8.190 nan 0.000 0.440 139 S N 4.618 120.524 115.700 0.343 0.000 2.500 139 S HA 0.558 5.031 4.470 0.004 0.000 0.301 139 S C -0.836 173.961 174.600 0.329 0.000 1.092 139 S CA -0.655 57.744 58.200 0.332 0.000 1.030 139 S CB 1.608 65.090 63.200 0.469 0.000 1.031 139 S HN 0.901 nan 8.310 nan 0.000 0.483 140 E N 1.962 122.336 120.200 0.290 0.000 2.227 140 E HA 0.482 4.835 4.350 0.004 0.000 0.282 140 E C -1.072 175.676 176.600 0.246 0.000 1.015 140 E CA -0.299 56.278 56.400 0.296 0.000 0.823 140 E CB 0.881 30.759 29.700 0.297 0.000 1.081 140 E HN 0.394 nan 8.360 nan 0.000 0.396 141 L N 2.983 124.351 121.223 0.242 0.000 2.381 141 L HA 0.430 4.772 4.340 0.004 0.000 0.274 141 L C -0.725 176.264 176.870 0.198 0.000 0.988 141 L CA -1.157 53.816 54.840 0.221 0.000 0.824 141 L CB 1.759 43.964 42.059 0.242 0.000 1.263 141 L HN 0.263 nan 8.230 nan 0.000 0.410 142 V N 4.121 124.149 119.914 0.191 0.000 2.461 142 V HA 0.329 4.452 4.120 0.004 0.000 0.275 142 V C 0.098 176.302 176.094 0.183 0.000 1.047 142 V CA -0.342 62.068 62.300 0.183 0.000 0.955 142 V CB 1.808 33.748 31.823 0.194 0.000 0.988 142 V HN 0.440 nan 8.190 nan 0.000 0.471 143 V N 4.383 124.345 119.914 0.080 0.000 2.540 143 V HA 0.991 5.114 4.120 0.004 0.000 0.302 143 V C 0.449 176.350 176.094 -0.322 0.000 1.035 143 V CA 0.119 62.375 62.300 -0.074 0.000 0.873 143 V CB 1.529 33.353 31.823 0.001 0.000 0.992 143 V HN 1.069 nan 8.190 nan 0.000 0.428 144 G N 5.109 113.381 108.800 -0.880 0.000 2.550 144 G HA2 0.717 4.679 3.960 0.004 0.000 0.293 144 G HA3 0.717 4.679 3.960 0.004 0.000 0.293 144 G C -3.533 170.571 174.900 -1.325 0.000 1.402 144 G CA -0.914 43.596 45.100 -0.983 0.000 0.784 144 G HN 0.491 nan 8.290 nan 0.000 0.482 145 P HA 0.625 nan 4.420 nan 0.000 0.283 145 P C -0.634 176.498 177.300 -0.280 0.000 1.278 145 P CA -0.714 62.204 63.100 -0.304 0.000 0.834 145 P CB 1.444 33.086 31.700 -0.098 0.000 1.150 146 L N 2.110 123.200 121.223 -0.220 0.000 2.343 146 L HA 0.395 4.738 4.340 0.004 0.000 0.275 146 L C -1.036 175.692 176.870 -0.237 0.000 1.056 146 L CA -1.402 53.301 54.840 -0.229 0.000 0.804 146 L CB 1.034 42.978 42.059 -0.191 0.000 1.203 146 L HN 0.358 nan 8.230 nan 0.000 0.440 147 P HA 0.017 nan 4.420 nan 0.000 0.226 147 P C -0.280 176.737 177.300 -0.472 0.000 1.161 147 P CA 0.711 63.541 63.100 -0.449 0.000 0.804 147 P CB 0.216 31.563 31.700 -0.587 0.000 0.829 148 H N 0.823 119.819 119.070 -0.123 0.000 2.690 148 H HA 0.398 4.956 4.556 0.004 0.000 0.280 148 H C -2.322 172.868 175.328 -0.230 0.000 1.138 148 H CA -2.369 53.600 56.048 -0.133 0.000 1.241 148 H CB -0.066 29.646 29.762 -0.082 0.000 1.394 148 H HN 0.086 nan 8.280 nan 0.000 0.489 149 P HA -0.033 nan 4.420 nan 0.000 0.269 149 P C 0.554 177.357 177.300 -0.829 0.000 1.209 149 P CA 0.054 62.755 63.100 -0.664 0.000 0.776 149 P CB 1.364 32.546 31.700 -0.864 0.000 0.876 150 S N 1.244 116.442 115.700 -0.836 0.000 2.648 150 S HA 0.145 4.617 4.470 0.004 0.000 0.270 150 S C -0.277 174.288 174.600 -0.060 0.000 1.082 150 S CA -0.282 57.715 58.200 -0.338 0.000 1.116 150 S CB -0.170 62.988 63.200 -0.070 0.000 1.040 150 S HN 0.420 nan 8.310 nan 0.000 0.572 151 Y N 0.100 120.310 120.300 -0.149 0.000 2.605 151 Y HA 0.843 5.396 4.550 0.004 0.000 0.343 151 Y C -0.692 175.318 175.900 0.183 0.000 1.036 151 Y CA -1.534 56.618 58.100 0.087 0.000 1.065 151 Y CB 1.317 39.805 38.460 0.046 0.000 1.288 151 Y HN 0.133 nan 8.280 nan 0.000 0.481 152 M N 3.406 123.283 119.600 0.460 0.000 2.149 152 M HA 0.427 4.910 4.480 0.004 0.000 0.273 152 M C -1.861 174.615 176.300 0.293 0.000 0.972 152 M CA -0.532 54.991 55.300 0.371 0.000 0.984 152 M CB 1.559 34.380 32.600 0.367 0.000 1.699 152 M HN 0.964 nan 8.290 nan 0.000 0.462 153 R N 3.042 123.705 120.500 0.271 0.000 2.393 153 R HA 0.285 4.627 4.340 0.004 0.000 0.315 153 R C -1.373 175.023 176.300 0.161 0.000 0.952 153 R CA -0.464 55.747 56.100 0.184 0.000 0.842 153 R CB 1.253 31.647 30.300 0.157 0.000 1.163 153 R HN 0.684 nan 8.270 nan 0.000 0.450 154 D N 4.150 124.627 120.400 0.128 0.000 2.336 154 D HA 0.026 4.669 4.640 0.004 0.000 0.249 154 D C 0.939 177.294 176.300 0.092 0.000 1.213 154 D CA -0.189 53.884 54.000 0.122 0.000 0.870 154 D CB 1.395 42.254 40.800 0.098 0.000 1.076 154 D HN 0.375 nan 8.370 nan 0.000 0.483 155 V N 1.316 121.289 119.914 0.099 0.000 3.542 155 V HA 0.095 4.217 4.120 0.004 0.000 0.296 155 V C 1.645 177.750 176.094 0.019 0.000 1.364 155 V CA 0.179 62.513 62.300 0.056 0.000 1.118 155 V CB -0.235 31.625 31.823 0.061 0.000 0.972 155 V HN 0.393 nan 8.190 nan 0.000 0.430 156 T N 1.910 116.501 114.554 0.061 0.000 2.622 156 T HA -0.172 4.181 4.350 0.004 0.000 0.266 156 T C 1.973 176.688 174.700 0.024 0.000 1.047 156 T CA 2.346 64.489 62.100 0.071 0.000 1.159 156 T CB -0.308 68.638 68.868 0.130 0.000 0.863 156 T HN 0.426 nan 8.240 nan 0.000 0.422 157 V N 1.486 121.421 119.914 0.035 0.000 2.287 157 V HA -0.210 3.913 4.120 0.004 0.000 0.248 157 V C 2.493 178.589 176.094 0.003 0.000 1.053 157 V CA 2.062 64.379 62.300 0.030 0.000 1.027 157 V CB -0.769 31.068 31.823 0.023 0.000 0.646 157 V HN 0.542 nan 8.190 nan 0.000 0.447 158 E N 0.269 120.461 120.200 -0.013 0.000 2.086 158 E HA -0.295 4.057 4.350 0.004 0.000 0.200 158 E C 2.439 178.999 176.600 -0.067 0.000 1.012 158 E CA 1.922 58.306 56.400 -0.027 0.000 0.812 158 E CB -0.063 29.627 29.700 -0.017 0.000 0.743 158 E HN 0.539 nan 8.360 nan 0.000 0.453 159 R N -1.421 118.977 120.500 -0.171 0.000 2.153 159 R HA -0.005 4.337 4.340 0.004 0.000 0.218 159 R C 1.517 177.636 176.300 -0.302 0.000 1.072 159 R CA 1.085 56.989 56.100 -0.327 0.000 0.990 159 R CB 0.153 30.084 30.300 -0.614 0.000 0.889 159 R HN 0.314 nan 8.270 nan 0.000 0.452 160 H N -2.217 116.885 119.070 0.053 0.000 3.058 160 H HA 0.286 4.844 4.556 0.004 0.000 0.266 160 H C 1.230 176.574 175.328 0.025 0.000 1.135 160 H CA 0.562 56.635 56.048 0.041 0.000 1.174 160 H CB 1.465 31.243 29.762 0.026 0.000 1.581 160 H HN 0.377 nan 8.280 nan 0.000 0.553 161 G N 0.567 109.426 108.800 0.100 0.000 2.212 161 G HA2 -0.214 3.748 3.960 0.004 0.000 0.266 161 G HA3 -0.214 3.748 3.960 0.004 0.000 0.266 161 G C 0.677 175.610 174.900 0.055 0.000 0.978 161 G CA 0.562 45.700 45.100 0.063 0.000 0.632 161 G HN 0.877 nan 8.290 nan 0.000 0.537 162 G N -0.963 107.880 108.800 0.073 0.000 2.550 162 G HA2 0.749 4.711 3.960 0.004 0.000 0.293 162 G HA3 0.749 4.711 3.960 0.004 0.000 0.293 162 G C -3.150 171.780 174.900 0.050 0.000 1.402 162 G CA 0.022 45.150 45.100 0.047 0.000 0.784 162 G HN 0.385 nan 8.290 nan 0.000 0.482 163 P HA 0.286 nan 4.420 nan 0.000 0.272 163 P C -0.233 177.048 177.300 -0.032 0.000 1.223 163 P CA -0.216 62.890 63.100 0.009 0.000 0.784 163 P CB 1.134 32.834 31.700 -0.001 0.000 0.923 164 L N 4.291 125.466 121.223 -0.081 0.000 2.369 164 L HA 0.228 4.570 4.340 0.004 0.000 0.279 164 L C -1.905 174.837 176.870 -0.213 0.000 1.108 164 L CA -1.913 52.785 54.840 -0.237 0.000 0.852 164 L CB 0.156 41.940 42.059 -0.459 0.000 1.169 164 L HN 0.194 nan 8.230 nan 0.000 0.452 165 P HA -0.081 nan 4.420 nan 0.000 0.269 165 P C 0.074 177.190 177.300 -0.306 0.000 1.209 165 P CA -0.050 62.930 63.100 -0.200 0.000 0.776 165 P CB 0.448 32.028 31.700 -0.199 0.000 0.876 166 Y N 2.674 122.819 120.300 -0.259 0.000 2.333 166 Y HA -0.236 4.316 4.550 0.004 0.000 0.290 166 Y C 2.299 178.022 175.900 -0.296 0.000 1.144 166 Y CA 1.728 59.669 58.100 -0.264 0.000 1.228 166 Y CB -0.590 37.794 38.460 -0.125 0.000 0.985 166 Y HN 0.510 nan 8.280 nan 0.000 0.542 167 H N -1.574 117.432 119.070 -0.106 0.000 2.563 167 H HA 0.065 4.624 4.556 0.004 0.000 0.272 167 H C 1.573 176.793 175.328 -0.180 0.000 1.005 167 H CA 0.754 56.712 56.048 -0.150 0.000 1.171 167 H CB -0.214 29.504 29.762 -0.074 0.000 1.351 167 H HN 0.336 nan 8.280 nan 0.000 0.602 168 R N 1.135 121.282 120.500 -0.589 0.000 2.200 168 R HA 0.017 4.359 4.340 0.004 0.000 0.208 168 R C 0.375 176.518 176.300 -0.262 0.000 1.033 168 R CA 0.012 55.897 56.100 -0.358 0.000 1.000 168 R CB 0.146 30.204 30.300 -0.403 0.000 0.906 168 R HN 0.325 nan 8.270 nan 0.000 0.462 169 R N 1.953 122.138 120.500 -0.524 0.000 2.538 169 R HA 0.085 4.427 4.340 0.004 0.000 0.282 169 R C -2.598 173.443 176.300 -0.432 0.000 1.009 169 R CA -1.554 54.147 56.100 -0.665 0.000 1.063 169 R CB -0.934 28.342 30.300 -1.707 0.000 0.945 169 R HN -0.180 nan 8.270 nan 0.000 0.414 170 P HA -0.089 nan 4.420 nan 0.000 0.266 170 P C -0.535 176.675 177.300 -0.150 0.000 1.193 170 P CA -0.146 62.806 63.100 -0.247 0.000 0.770 170 P CB 0.393 31.958 31.700 -0.225 0.000 0.836 171 V N 4.440 124.289 119.914 -0.107 0.000 2.529 171 V HA -0.030 4.093 4.120 0.004 0.000 0.292 171 V C 0.930 176.968 176.094 -0.093 0.000 1.028 171 V CA 0.238 62.438 62.300 -0.168 0.000 1.074 171 V CB -0.466 31.099 31.823 -0.431 0.000 0.958 171 V HN 0.348 nan 8.190 nan 0.000 0.481 172 L N 4.470 125.705 121.223 0.019 0.000 2.464 172 L HA 0.259 4.602 4.340 0.004 0.000 0.264 172 L C 1.263 178.253 176.870 0.201 0.000 1.199 172 L CA -0.026 54.909 54.840 0.158 0.000 0.818 172 L CB 0.266 42.483 42.059 0.265 0.000 1.102 172 L HN 0.543 nan 8.230 nan 0.000 0.473 173 F N 0.064 120.266 119.950 0.421 0.000 2.126 173 F HA -0.294 4.236 4.527 0.004 0.000 0.299 173 F C 2.529 178.543 175.800 0.356 0.000 1.096 173 F CA 1.280 59.557 58.000 0.461 0.000 1.255 173 F CB -0.123 39.075 39.000 0.330 0.000 0.997 173 F HN 0.597 nan 8.300 nan 0.000 0.479 174 Q N 0.926 120.998 119.800 0.452 0.000 2.096 174 Q HA -0.240 4.102 4.340 0.004 0.000 0.204 174 Q C 1.954 178.136 176.000 0.303 0.000 0.982 174 Q CA 1.881 57.879 55.803 0.325 0.000 0.850 174 Q CB -0.420 28.476 28.738 0.264 0.000 0.901 174 Q HN 0.498 nan 8.270 nan 0.000 0.422 175 E N -1.357 119.008 120.200 0.274 0.000 2.077 175 E HA -0.212 4.141 4.350 0.004 0.000 0.193 175 E C 1.658 178.383 176.600 0.208 0.000 0.989 175 E CA 1.183 57.737 56.400 0.257 0.000 0.800 175 E CB -0.208 29.578 29.700 0.143 0.000 0.746 175 E HN 0.594 nan 8.360 nan 0.000 0.452 176 Y N 0.401 120.875 120.300 0.290 0.000 2.224 176 Y HA -0.192 4.361 4.550 0.004 0.000 0.289 176 Y C 2.300 178.323 175.900 0.204 0.000 1.146 176 Y CA 0.624 58.874 58.100 0.251 0.000 1.182 176 Y CB 0.021 38.689 38.460 0.347 0.000 0.983 176 Y HN 0.102 nan 8.280 nan 0.000 0.524 177 L N -0.255 121.193 121.223 0.375 0.000 2.027 177 L HA -0.239 4.103 4.340 0.004 0.000 0.206 177 L C 1.827 178.830 176.870 0.222 0.000 1.074 177 L CA 1.388 56.384 54.840 0.259 0.000 0.745 177 L CB -0.521 41.672 42.059 0.222 0.000 0.898 177 L HN 0.281 nan 8.230 nan 0.000 0.433 178 D N 0.215 120.764 120.400 0.250 0.000 2.144 178 D HA -0.169 4.473 4.640 0.004 0.000 0.199 178 D C 2.214 178.707 176.300 0.322 0.000 0.984 178 D CA 1.234 55.378 54.000 0.241 0.000 0.834 178 D CB -0.091 40.843 40.800 0.225 0.000 0.955 178 D HN 0.339 nan 8.370 nan 0.000 0.465 179 I N 1.130 121.905 120.570 0.341 0.000 2.226 179 I HA -0.250 3.923 4.170 0.004 0.000 0.245 179 I C 1.871 178.013 176.117 0.043 0.000 1.100 179 I CA 1.093 62.481 61.300 0.146 0.000 1.374 179 I CB -0.130 37.759 38.000 -0.186 0.000 1.057 179 I HN -0.157 nan 8.210 nan 0.000 0.413 180 D N 0.386 120.850 120.400 0.108 0.000 2.144 180 D HA -0.182 4.461 4.640 0.004 0.000 0.200 180 D C 2.232 178.725 176.300 0.321 0.000 0.978 180 D CA 1.036 55.184 54.000 0.246 0.000 0.833 180 D CB -0.204 40.768 40.800 0.286 0.000 0.961 180 D HN 0.357 nan 8.370 nan 0.000 0.470 181 Q N -0.309 119.617 119.800 0.209 0.000 2.061 181 Q HA -0.157 4.185 4.340 0.004 0.000 0.204 181 Q C 2.186 178.273 176.000 0.144 0.000 0.984 181 Q CA 1.046 56.949 55.803 0.167 0.000 0.846 181 Q CB -0.131 28.675 28.738 0.113 0.000 0.902 181 Q HN 0.321 nan 8.270 nan 0.000 0.421 182 M N 0.275 119.952 119.600 0.129 0.000 2.080 182 M HA -0.214 4.269 4.480 0.004 0.000 0.260 182 M C 1.948 178.272 176.300 0.040 0.000 1.068 182 M CA 1.602 56.963 55.300 0.101 0.000 1.109 182 M CB -0.114 32.590 32.600 0.173 0.000 1.342 182 M HN 0.223 nan 8.290 nan 0.000 0.405 183 I N -0.216 120.337 120.570 -0.028 0.000 2.113 183 I HA -0.315 3.858 4.170 0.004 0.000 0.238 183 I C 2.020 177.989 176.117 -0.248 0.000 1.070 183 I CA 1.635 62.800 61.300 -0.224 0.000 1.332 183 I CB -0.456 37.260 38.000 -0.473 0.000 1.044 183 I HN 0.225 nan 8.210 nan 0.000 0.402 184 F N 0.492 120.449 119.950 0.010 0.000 2.367 184 F HA -0.056 4.474 4.527 0.004 0.000 0.298 184 F C 2.136 177.967 175.800 0.051 0.000 1.094 184 F CA 1.173 59.197 58.000 0.039 0.000 1.409 184 F CB -0.490 38.526 39.000 0.027 0.000 1.064 184 F HN 0.094 nan 8.300 nan 0.000 0.528 185 N N -0.539 118.276 118.700 0.192 0.000 2.368 185 N HA 0.047 4.789 4.740 0.004 0.000 0.178 185 N C 1.639 177.199 175.510 0.083 0.000 1.021 185 N CA 0.316 53.441 53.050 0.127 0.000 0.875 185 N CB 0.127 38.674 38.487 0.099 0.000 1.020 185 N HN 0.126 nan 8.380 nan 0.000 0.433 186 R N 0.108 120.643 120.500 0.059 0.000 2.225 186 R HA 0.176 4.519 4.340 0.004 0.000 0.194 186 R C 1.099 177.407 176.300 0.015 0.000 0.957 186 R CA 0.509 56.632 56.100 0.038 0.000 1.042 186 R CB 0.402 30.724 30.300 0.037 0.000 1.004 186 R HN 0.175 nan 8.270 nan 0.000 0.509 187 E N 0.995 121.188 120.200 -0.012 0.000 2.110 187 E HA 0.075 4.427 4.350 0.004 0.000 0.194 187 E C 2.136 178.679 176.600 -0.095 0.000 0.944 187 E CA 0.351 56.719 56.400 -0.053 0.000 0.899 187 E CB -0.201 29.455 29.700 -0.074 0.000 0.907 187 E HN 0.099 nan 8.360 nan 0.000 0.473 188 L N 2.138 123.277 121.223 -0.141 0.000 2.079 188 L HA -0.130 4.213 4.340 0.004 0.000 0.210 188 L C -0.521 176.236 176.870 -0.187 0.000 1.081 188 L CA 1.278 55.990 54.840 -0.214 0.000 0.752 188 L CB -1.692 40.215 42.059 -0.253 0.000 0.896 188 L HN 0.134 nan 8.230 nan 0.000 0.433 189 P HA -0.195 nan 4.420 nan 0.000 0.221 189 P C 1.226 178.518 177.300 -0.015 0.000 1.145 189 P CA 1.238 64.372 63.100 0.058 0.000 0.795 189 P CB -0.049 31.729 31.700 0.130 0.000 0.775 190 Q N -0.595 119.172 119.800 -0.055 0.000 2.364 190 Q HA 0.036 4.379 4.340 0.004 0.000 0.207 190 Q C 1.442 177.378 176.000 -0.108 0.000 0.970 190 Q CA 1.125 56.893 55.803 -0.059 0.000 0.888 190 Q CB -0.195 28.511 28.738 -0.054 0.000 0.951 190 Q HN 0.217 nan 8.270 nan 0.000 0.469 191 A N -0.321 122.381 122.820 -0.196 0.000 2.637 191 A HA 0.194 4.517 4.320 0.004 0.000 0.293 191 A C 1.442 178.827 177.584 -0.332 0.000 1.216 191 A CA -0.171 51.700 52.037 -0.276 0.000 0.956 191 A CB 0.268 19.039 19.000 -0.380 0.000 1.174 191 A HN 0.124 nan 8.150 nan 0.000 0.525 192 S N 0.265 115.840 115.700 -0.208 0.000 2.380 192 S HA -0.181 4.291 4.470 0.004 0.000 0.229 192 S C 2.081 176.720 174.600 0.065 0.000 1.043 192 S CA 2.419 60.557 58.200 -0.104 0.000 1.038 192 S CB -0.322 62.986 63.200 0.180 0.000 0.872 192 S HN 0.803 nan 8.310 nan 0.000 0.456 193 G N 1.316 110.154 108.800 0.063 0.000 2.421 193 G HA2 -0.176 3.786 3.960 0.004 0.000 0.216 193 G HA3 -0.176 3.786 3.960 0.004 0.000 0.216 193 G C 1.387 176.216 174.900 -0.119 0.000 1.171 193 G CA 1.129 46.305 45.100 0.126 0.000 0.775 193 G HN 0.520 nan 8.290 nan 0.000 0.543 194 L N 0.584 121.476 121.223 -0.551 0.000 1.994 194 L HA 0.064 4.407 4.340 0.004 0.000 0.208 194 L C 2.723 179.225 176.870 -0.613 0.000 1.071 194 L CA 1.498 55.658 54.840 -1.133 0.000 0.745 194 L CB -0.526 40.863 42.059 -1.116 0.000 0.892 194 L HN 0.221 nan 8.230 nan 0.000 0.431 195 L N -1.174 119.741 121.223 -0.515 0.000 2.083 195 L HA -0.252 4.091 4.340 0.004 0.000 0.209 195 L C 2.538 179.300 176.870 -0.179 0.000 1.083 195 L CA 1.514 56.095 54.840 -0.433 0.000 0.752 195 L CB -0.949 40.634 42.059 -0.794 0.000 0.899 195 L HN 0.404 nan 8.230 nan 0.000 0.433 196 H N -1.786 117.260 119.070 -0.040 0.000 2.352 196 H HA -0.244 4.314 4.556 0.004 0.000 0.299 196 H C 2.351 177.652 175.328 -0.044 0.000 1.097 196 H CA 2.076 58.160 56.048 0.060 0.000 1.311 196 H CB -0.013 29.808 29.762 0.099 0.000 1.377 196 H HN 0.351 nan 8.280 nan 0.000 0.504 197 H N -0.504 118.537 119.070 -0.048 0.000 2.395 197 H HA -0.091 4.467 4.556 0.004 0.000 0.299 197 H C 2.227 177.444 175.328 -0.186 0.000 1.070 197 H CA 1.725 57.722 56.048 -0.085 0.000 1.356 197 H CB -0.135 29.620 29.762 -0.011 0.000 1.401 197 H HN 0.554 nan 8.280 nan 0.000 0.524 198 C N -2.232 116.932 119.300 -0.226 0.000 2.611 198 C HA 0.322 4.784 4.460 0.004 0.000 0.282 198 C C 1.730 176.589 174.990 -0.219 0.000 1.321 198 C CA 0.060 58.947 59.018 -0.218 0.000 1.747 198 C CB -0.700 26.993 27.740 -0.079 0.000 2.124 198 C HN 0.616 nan 8.230 nan 0.000 0.531 199 C N -0.755 118.437 119.300 -0.180 0.000 3.359 199 C HA 0.484 4.946 4.460 0.004 0.000 0.258 199 C C 0.351 175.552 174.990 0.353 0.000 1.840 199 C CA -0.598 58.506 59.018 0.144 0.000 1.746 199 C CB -2.181 25.593 27.740 0.057 0.000 3.306 199 C HN 0.588 nan 8.230 nan 0.000 0.485 200 F N -0.920 119.133 119.950 0.173 0.000 3.100 200 F HA -0.256 4.274 4.527 0.004 0.000 0.283 200 F C 0.521 176.403 175.800 0.137 0.000 0.900 200 F CA 0.508 58.590 58.000 0.136 0.000 1.010 200 F CB -2.409 36.639 39.000 0.080 0.000 1.029 200 F HN 0.538 nan 8.300 nan 0.000 0.637 201 Y N 1.665 121.985 120.300 0.033 0.000 2.425 201 Y HA 0.483 5.035 4.550 0.004 0.000 0.331 201 Y C 0.471 176.257 175.900 -0.188 0.000 1.157 201 Y CA -0.401 57.636 58.100 -0.105 0.000 1.372 201 Y CB 0.580 38.876 38.460 -0.274 0.000 1.253 201 Y HN 0.058 nan 8.280 nan 0.000 0.536 202 K N 4.513 124.593 120.400 -0.533 0.000 2.371 202 K HA 0.206 4.528 4.320 0.004 0.000 0.251 202 K C -1.095 175.188 176.600 -0.527 0.000 0.934 202 K CA -0.892 55.226 56.287 -0.281 0.000 0.798 202 K CB 0.680 33.169 32.500 -0.019 0.000 1.204 202 K HN 0.737 nan 8.250 nan 0.000 0.427 203 H N 3.408 122.318 119.070 -0.267 0.000 3.140 203 H HA -0.017 4.542 4.556 0.004 0.000 0.316 203 H C -0.372 174.858 175.328 -0.164 0.000 0.986 203 H CA 0.399 56.358 56.048 -0.148 0.000 1.397 203 H CB 0.257 30.049 29.762 0.049 0.000 1.377 203 H HN 0.568 nan 8.280 nan 0.000 0.585 204 R N 0.873 121.268 120.500 -0.176 0.000 3.301 204 R HA -0.143 4.199 4.340 0.004 0.000 0.249 204 R C 0.214 176.361 176.300 -0.254 0.000 0.964 204 R CA 1.145 57.138 56.100 -0.178 0.000 0.653 204 R CB -2.156 28.051 30.300 -0.155 0.000 1.043 204 R HN 0.937 nan 8.270 nan 0.000 0.454 205 G N -0.199 108.416 108.800 -0.308 0.000 2.482 205 G HA2 0.615 4.577 3.960 0.004 0.000 0.317 205 G HA3 0.615 4.577 3.960 0.004 0.000 0.317 205 G C -0.139 174.638 174.900 -0.205 0.000 1.241 205 G CA -0.834 44.106 45.100 -0.267 0.000 0.967 205 G HN 0.145 nan 8.290 nan 0.000 0.482 206 R N 1.553 121.939 120.500 -0.191 0.000 2.868 206 R HA 0.104 4.447 4.340 0.004 0.000 0.289 206 R C 0.650 176.873 176.300 -0.128 0.000 1.443 206 R CA -0.494 55.468 56.100 -0.231 0.000 1.651 206 R CB 0.533 30.558 30.300 -0.458 0.000 1.242 206 R HN 0.744 nan 8.270 nan 0.000 0.621 207 N N 0.802 119.494 118.700 -0.014 0.000 2.494 207 N HA -0.044 4.699 4.740 0.004 0.000 0.182 207 N C 0.297 175.896 175.510 0.147 0.000 1.076 207 N CA 0.417 53.506 53.050 0.066 0.000 0.908 207 N CB 0.447 39.011 38.487 0.128 0.000 0.967 207 N HN 0.253 nan 8.380 nan 0.000 0.449 208 L N 1.014 122.335 121.223 0.163 0.000 2.334 208 L HA 0.567 4.910 4.340 0.004 0.000 0.272 208 L C 0.033 176.987 176.870 0.140 0.000 1.020 208 L CA -1.285 53.669 54.840 0.189 0.000 0.812 208 L CB 1.990 44.206 42.059 0.261 0.000 1.264 208 L HN -0.147 nan 8.230 nan 0.000 0.439 209 V N -2.172 117.782 119.914 0.066 0.000 3.102 209 V HA 0.809 4.931 4.120 0.004 0.000 0.312 209 V C -0.135 176.016 176.094 0.094 0.000 1.135 209 V CA -0.640 61.652 62.300 -0.013 0.000 1.022 209 V CB 1.707 33.278 31.823 -0.421 0.000 1.056 209 V HN 0.849 nan 8.190 nan 0.000 0.436 210 T N -0.099 114.536 114.554 0.135 0.000 2.945 210 T HA 0.787 5.139 4.350 0.004 0.000 0.286 210 T C -0.544 174.355 174.700 0.332 0.000 1.025 210 T CA -0.631 61.627 62.100 0.263 0.000 1.039 210 T CB 1.818 70.797 68.868 0.186 0.000 1.068 210 T HN 1.094 nan 8.240 nan 0.000 0.497 211 M N 2.330 122.284 119.600 0.590 0.000 2.213 211 M HA 0.373 4.855 4.480 0.004 0.000 0.286 211 M C -0.240 176.378 176.300 0.529 0.000 1.008 211 M CA -0.488 55.141 55.300 0.549 0.000 0.937 211 M CB 2.183 35.106 32.600 0.539 0.000 1.600 211 M HN 0.942 nan 8.290 nan 0.000 0.450 212 T N 2.744 117.533 114.554 0.391 0.000 2.900 212 T HA 0.414 4.766 4.350 0.004 0.000 0.307 212 T C 0.197 174.976 174.700 0.132 0.000 1.065 212 T CA 0.287 62.397 62.100 0.017 0.000 1.105 212 T CB 0.403 69.452 68.868 0.301 0.000 0.979 212 T HN 0.847 nan 8.240 nan 0.000 0.544 213 T N 0.582 115.133 114.554 -0.005 0.000 2.841 213 T HA 0.877 5.229 4.350 0.004 0.000 0.276 213 T C -0.571 174.201 174.700 0.121 0.000 1.003 213 T CA -0.515 61.622 62.100 0.062 0.000 0.995 213 T CB 1.503 70.343 68.868 -0.046 0.000 1.260 213 T HN 1.068 nan 8.240 nan 0.000 0.581 214 A N 0.791 123.599 122.820 -0.021 0.000 2.599 214 A HA 0.777 5.100 4.320 0.004 0.000 0.294 214 A C -3.128 174.436 177.584 -0.034 0.000 1.055 214 A CA -1.531 50.554 52.037 0.081 0.000 0.683 214 A CB 0.828 20.011 19.000 0.305 0.000 1.278 214 A HN 0.702 nan 8.150 nan 0.000 0.412 215 P HA 0.319 nan 4.420 nan 0.000 0.275 215 P C -0.825 176.578 177.300 0.172 0.000 1.270 215 P CA -0.117 63.022 63.100 0.065 0.000 0.791 215 P CB 0.454 32.098 31.700 -0.094 0.000 1.089 216 R N 0.128 120.765 120.500 0.228 0.000 2.664 216 R HA 0.644 4.986 4.340 0.004 0.000 0.281 216 R C 0.442 176.845 176.300 0.172 0.000 1.383 216 R CA -0.353 55.844 56.100 0.161 0.000 1.563 216 R CB 0.352 30.700 30.300 0.081 0.000 1.131 216 R HN 0.861 nan 8.270 nan 0.000 0.599 217 G N 0.239 109.168 108.800 0.215 0.000 2.315 217 G HA2 -0.094 3.868 3.960 0.004 0.000 0.296 217 G HA3 -0.094 3.868 3.960 0.004 0.000 0.296 217 G C -0.418 174.517 174.900 0.059 0.000 1.289 217 G CA -0.980 44.151 45.100 0.051 0.000 0.996 217 G HN 0.265 nan 8.290 nan 0.000 0.487 218 L N 0.315 121.337 121.223 -0.335 0.000 3.086 218 L HA 0.437 4.780 4.340 0.004 0.000 0.274 218 L C 0.711 176.946 176.870 -1.059 0.000 1.184 218 L CA 0.398 55.021 54.840 -0.362 0.000 1.002 218 L CB 0.567 42.526 42.059 -0.167 0.000 1.383 218 L HN 0.844 nan 8.230 nan 0.000 0.582 219 Q N -1.837 116.995 119.800 -1.612 0.000 2.630 219 Q HA 0.374 4.716 4.340 0.004 0.000 0.295 219 Q C -0.873 174.437 176.000 -1.150 0.000 0.944 219 Q CA -0.715 54.166 55.803 -1.536 0.000 0.766 219 Q CB 1.491 29.816 28.738 -0.689 0.000 1.471 219 Q HN -0.124 nan 8.270 nan 0.000 0.416 220 S N -0.721 114.675 115.700 -0.506 0.000 2.544 220 S HA 0.407 4.880 4.470 0.004 0.000 0.290 220 S C 1.023 175.418 174.600 -0.343 0.000 1.276 220 S CA 1.684 59.817 58.200 -0.111 0.000 1.075 220 S CB -0.504 62.725 63.200 0.050 0.000 0.849 220 S HN 1.250 nan 8.310 nan 0.000 0.494 221 G N 4.407 112.862 108.800 -0.575 0.000 2.238 221 G HA2 -0.170 3.793 3.960 0.004 0.000 0.217 221 G HA3 -0.170 3.793 3.960 0.004 0.000 0.217 221 G C -0.234 174.374 174.900 -0.487 0.000 0.996 221 G CA -0.036 44.503 45.100 -0.935 0.000 0.632 221 G HN 0.662 nan 8.290 nan 0.000 0.503 222 D N 0.026 120.228 120.400 -0.330 0.000 2.357 222 D HA 0.555 5.197 4.640 0.004 0.000 0.242 222 D C 0.912 177.126 176.300 -0.144 0.000 1.153 222 D CA 0.220 54.080 54.000 -0.232 0.000 0.918 222 D CB 0.798 41.437 40.800 -0.268 0.000 1.181 222 D HN 0.374 nan 8.370 nan 0.000 0.435 223 R N 0.138 120.515 120.500 -0.205 0.000 2.797 223 R HA 0.488 4.830 4.340 0.004 0.000 0.230 223 R C -1.736 174.298 176.300 -0.444 0.000 1.591 223 R CA -0.251 55.653 56.100 -0.327 0.000 1.501 223 R CB 0.288 30.336 30.300 -0.421 0.000 1.524 223 R HN 0.402 nan 8.270 nan 0.000 0.711 224 A N 1.175 123.864 122.820 -0.219 0.000 2.319 224 A HA 0.661 4.983 4.320 0.004 0.000 0.310 224 A C -0.692 176.851 177.584 -0.069 0.000 1.152 224 A CA -0.464 51.484 52.037 -0.149 0.000 0.783 224 A CB 1.714 20.609 19.000 -0.176 0.000 1.184 224 A HN 0.265 nan 8.150 nan 0.000 0.474 225 T N 1.850 116.414 114.554 0.017 0.000 2.841 225 T HA 0.429 4.781 4.350 0.004 0.000 0.283 225 T C -0.866 173.761 174.700 -0.123 0.000 1.000 225 T CA -0.039 62.035 62.100 -0.042 0.000 0.977 225 T CB 0.631 69.448 68.868 -0.085 0.000 0.979 225 T HN 0.583 nan 8.240 nan 0.000 0.446 226 W N 2.889 124.139 121.300 -0.083 0.000 2.345 226 W HA 0.516 5.178 4.660 0.004 0.000 0.308 226 W C -0.575 175.871 176.519 -0.122 0.000 1.273 226 W CA -0.714 56.621 57.345 -0.017 0.000 1.243 226 W CB 0.260 29.716 29.460 -0.006 0.000 1.260 226 W HN 0.513 nan 8.180 nan 0.000 0.509 227 F N 2.658 122.820 119.950 0.355 0.000 2.427 227 F HA 0.545 5.075 4.527 0.004 0.000 0.346 227 F C 1.037 176.999 175.800 0.270 0.000 1.120 227 F CA -0.802 57.371 58.000 0.289 0.000 1.033 227 F CB 1.054 40.169 39.000 0.191 0.000 1.126 227 F HN 0.317 nan 8.300 nan 0.000 0.462 228 G N 3.007 112.073 108.800 0.443 0.000 2.537 228 G HA2 0.589 4.551 3.960 0.004 0.000 0.273 228 G HA3 0.589 4.551 3.960 0.004 0.000 0.273 228 G C -1.278 173.589 174.900 -0.054 0.000 1.189 228 G CA -0.518 44.688 45.100 0.176 0.000 0.881 228 G HN 0.535 nan 8.290 nan 0.000 0.535 229 L N 0.173 121.055 121.223 -0.570 0.000 2.346 229 L HA 0.583 4.926 4.340 0.004 0.000 0.276 229 L C -1.158 175.248 176.870 -0.773 0.000 1.006 229 L CA -0.670 53.919 54.840 -0.420 0.000 0.817 229 L CB 1.891 43.786 42.059 -0.273 0.000 1.272 229 L HN 0.529 nan 8.230 nan 0.000 0.421 230 Y N 0.719 120.907 120.300 -0.188 0.000 2.562 230 Y HA 0.419 4.972 4.550 0.004 0.000 0.345 230 Y C -0.835 174.999 175.900 -0.109 0.000 1.045 230 Y CA -0.958 57.067 58.100 -0.126 0.000 1.028 230 Y CB 1.291 39.814 38.460 0.106 0.000 1.297 230 Y HN 0.239 nan 8.280 nan 0.000 0.463 231 Y N 1.238 121.695 120.300 0.261 0.000 2.544 231 Y HA 0.005 4.558 4.550 0.004 0.000 0.330 231 Y C 0.836 176.786 175.900 0.084 0.000 1.136 231 Y CA -0.389 57.808 58.100 0.163 0.000 1.417 231 Y CB 0.106 38.671 38.460 0.176 0.000 1.229 231 Y HN 0.481 nan 8.280 nan 0.000 0.532 232 N N 4.355 123.157 118.700 0.170 0.000 2.498 232 N HA 0.019 4.761 4.740 0.004 0.000 0.277 232 N C -0.944 174.596 175.510 0.050 0.000 1.208 232 N CA -0.012 53.052 53.050 0.024 0.000 1.029 232 N CB -0.324 38.138 38.487 -0.041 0.000 1.403 232 N HN 0.349 nan 8.380 nan 0.000 0.500 233 I N 1.324 121.936 120.570 0.070 0.000 2.471 233 I HA -0.001 4.172 4.170 0.004 0.000 0.286 233 I C 0.889 177.013 176.117 0.011 0.000 1.079 233 I CA -0.179 61.140 61.300 0.031 0.000 1.398 233 I CB 0.359 38.353 38.000 -0.012 0.000 1.403 233 I HN 0.347 nan 8.210 nan 0.000 0.530 234 S N 4.778 120.478 115.700 -0.000 0.000 2.448 234 S HA 0.426 4.899 4.470 0.004 0.000 0.279 234 S C 1.087 175.686 174.600 -0.002 0.000 1.195 234 S CA 0.354 58.545 58.200 -0.015 0.000 1.051 234 S CB 0.030 63.212 63.200 -0.031 0.000 0.948 234 S HN 1.060 nan 8.310 nan 0.000 0.493 235 G N 3.004 111.798 108.800 -0.011 0.000 2.184 235 G HA2 -0.060 3.902 3.960 0.004 0.000 0.264 235 G HA3 -0.060 3.902 3.960 0.004 0.000 0.264 235 G C 0.174 175.102 174.900 0.047 0.000 0.975 235 G CA 0.147 45.247 45.100 -0.001 0.000 0.642 235 G HN 1.420 nan 8.290 nan 0.000 0.536 236 A N -1.143 121.707 122.820 0.051 0.000 2.552 236 A HA 0.938 5.260 4.320 0.004 0.000 0.288 236 A C 0.537 178.079 177.584 -0.071 0.000 1.193 236 A CA 0.366 52.458 52.037 0.091 0.000 0.713 236 A CB 0.534 19.624 19.000 0.150 0.000 1.305 236 A HN 1.828 nan 8.150 nan 0.000 0.424 237 G N -0.270 108.359 108.800 -0.285 0.000 2.334 237 G HA2 0.401 4.364 3.960 0.004 0.000 0.261 237 G HA3 0.401 4.364 3.960 0.004 0.000 0.261 237 G C 0.381 174.901 174.900 -0.633 0.000 1.257 237 G CA 0.391 44.896 45.100 -0.993 0.000 0.935 237 G HN 1.231 nan 8.290 nan 0.000 0.480 238 F N 1.428 120.891 119.950 -0.811 0.000 2.661 238 F HA 0.198 4.728 4.527 0.004 0.000 0.298 238 F C 1.505 177.038 175.800 -0.445 0.000 1.137 238 F CA -0.490 57.219 58.000 -0.486 0.000 1.454 238 F CB -0.521 38.188 39.000 -0.484 0.000 1.103 238 F HN 0.364 nan 8.300 nan 0.000 0.577 239 F N 1.094 120.559 119.950 -0.808 0.000 2.365 239 F HA 0.002 4.531 4.527 0.004 0.000 0.300 239 F C 1.666 177.384 175.800 -0.136 0.000 1.090 239 F CA 0.699 58.317 58.000 -0.636 0.000 1.408 239 F CB -0.801 37.785 39.000 -0.690 0.000 1.060 239 F HN 0.023 nan 8.300 nan 0.000 0.534 240 L N 0.035 121.235 121.223 -0.038 0.000 2.629 240 L HA 0.069 4.411 4.340 0.004 0.000 0.230 240 L C 0.189 176.754 176.870 -0.510 0.000 1.151 240 L CA 0.298 54.997 54.840 -0.235 0.000 0.924 240 L CB -0.459 41.374 42.059 -0.376 0.000 1.137 240 L HN 0.270 nan 8.230 nan 0.000 0.457 241 H N -1.151 118.078 119.070 0.265 0.000 2.535 241 H HA 0.210 4.768 4.556 0.004 0.000 0.232 241 H C -0.368 175.200 175.328 0.401 0.000 1.405 241 H CA -0.334 55.899 56.048 0.309 0.000 1.224 241 H CB 0.309 30.226 29.762 0.257 0.000 1.763 241 H HN 0.128 nan 8.280 nan 0.000 0.529 242 H N 1.302 120.558 119.070 0.310 0.000 2.848 242 H HA 0.024 4.582 4.556 0.004 0.000 0.317 242 H C 0.803 176.098 175.328 -0.054 0.000 1.046 242 H CA 0.244 56.279 56.048 -0.021 0.000 1.470 242 H CB 1.389 31.174 29.762 0.038 0.000 1.483 242 H HN 0.175 nan 8.280 nan 0.000 0.548 243 V N 4.164 123.836 119.914 -0.405 0.000 3.406 243 V HA 0.005 4.127 4.120 0.004 0.000 0.263 243 V C 1.705 177.593 176.094 -0.343 0.000 1.172 243 V CA 1.342 63.411 62.300 -0.384 0.000 1.140 243 V CB 0.044 31.544 31.823 -0.538 0.000 0.784 243 V HN 1.142 nan 8.190 nan 0.000 0.467 244 G N 0.162 108.869 108.800 -0.154 0.000 2.176 244 G HA2 -0.214 3.748 3.960 0.004 0.000 0.232 244 G HA3 -0.214 3.748 3.960 0.004 0.000 0.232 244 G C -0.124 174.734 174.900 -0.069 0.000 0.986 244 G CA 0.192 45.199 45.100 -0.155 0.000 0.643 244 G HN 0.383 nan 8.290 nan 0.000 0.522 245 L N 1.672 122.871 121.223 -0.041 0.000 2.289 245 L HA 0.797 5.140 4.340 0.004 0.000 0.285 245 L C -0.154 176.774 176.870 0.096 0.000 1.049 245 L CA -0.736 54.164 54.840 0.100 0.000 0.804 245 L CB 1.013 43.086 42.059 0.023 0.000 1.195 245 L HN 0.265 nan 8.230 nan 0.000 0.428 246 E N 5.833 126.189 120.200 0.260 0.000 2.292 246 E HA 0.558 4.910 4.350 0.004 0.000 0.272 246 E C -1.531 175.365 176.600 0.494 0.000 0.881 246 E CA -0.717 55.899 56.400 0.359 0.000 0.754 246 E CB 2.447 32.348 29.700 0.336 0.000 1.201 246 E HN 0.474 nan 8.360 nan 0.000 0.425 247 L N 2.464 123.970 121.223 0.473 0.000 2.385 247 L HA 0.428 4.770 4.340 0.004 0.000 0.273 247 L C -0.995 175.965 176.870 0.149 0.000 0.990 247 L CA -1.114 53.906 54.840 0.300 0.000 0.821 247 L CB 1.623 43.765 42.059 0.137 0.000 1.279 247 L HN 0.321 nan 8.230 nan 0.000 0.412 248 L N 4.431 125.467 121.223 -0.313 0.000 2.259 248 L HA 0.412 4.755 4.340 0.004 0.000 0.288 248 L C -0.555 176.161 176.870 -0.258 0.000 1.051 248 L CA -0.065 54.341 54.840 -0.722 0.000 0.824 248 L CB 1.184 42.375 42.059 -1.446 0.000 1.206 248 L HN 0.296 nan 8.230 nan 0.000 0.429 249 V N 5.236 125.123 119.914 -0.045 0.000 2.348 249 V HA 0.292 4.414 4.120 0.004 0.000 0.270 249 V C 0.283 176.403 176.094 0.044 0.000 1.037 249 V CA -0.675 61.657 62.300 0.055 0.000 0.872 249 V CB 0.996 32.914 31.823 0.159 0.000 1.002 249 V HN 0.753 nan 8.190 nan 0.000 0.464 250 N N 4.200 122.878 118.700 -0.036 0.000 2.415 250 N HA 0.115 4.857 4.740 0.004 0.000 0.250 250 N C 0.320 175.694 175.510 -0.227 0.000 1.127 250 N CA -0.249 52.738 53.050 -0.104 0.000 0.945 250 N CB 0.178 38.620 38.487 -0.076 0.000 1.196 250 N HN 0.862 nan 8.380 nan 0.000 0.499 251 H N 0.824 119.540 119.070 -0.590 0.000 2.505 251 H HA 0.322 4.881 4.556 0.004 0.000 0.260 251 H C 1.117 176.015 175.328 -0.717 0.000 1.168 251 H CA -0.651 54.536 56.048 -1.434 0.000 0.945 251 H CB 0.522 29.162 29.762 -1.870 0.000 1.800 251 H HN 0.376 nan 8.280 nan 0.000 0.586 252 K N 1.231 121.389 120.400 -0.404 0.000 2.057 252 K HA 0.099 4.421 4.320 0.004 0.000 0.206 252 K C 0.938 177.611 176.600 0.121 0.000 1.050 252 K CA 0.694 56.887 56.287 -0.157 0.000 0.935 252 K CB -0.111 32.318 32.500 -0.118 0.000 0.715 252 K HN 0.424 nan 8.250 nan 0.000 0.439 253 A N 1.349 124.348 122.820 0.297 0.000 2.531 253 A HA 0.027 4.349 4.320 0.004 0.000 0.236 253 A C 1.074 178.940 177.584 0.470 0.000 1.062 253 A CA 0.002 52.260 52.037 0.368 0.000 0.760 253 A CB 0.112 19.325 19.000 0.356 0.000 0.995 253 A HN 0.409 nan 8.150 nan 0.000 0.501 254 L N 0.517 121.900 121.223 0.266 0.000 2.275 254 L HA -0.059 4.284 4.340 0.004 0.000 0.215 254 L C 0.633 177.576 176.870 0.122 0.000 1.119 254 L CA 0.840 55.816 54.840 0.226 0.000 0.790 254 L CB -0.256 41.888 42.059 0.141 0.000 0.919 254 L HN 0.756 nan 8.230 nan 0.000 0.443 255 D N -0.174 120.250 120.400 0.040 0.000 2.359 255 D HA 0.157 4.799 4.640 0.004 0.000 0.230 255 D C -1.750 174.312 176.300 -0.396 0.000 1.118 255 D CA -2.375 51.556 54.000 -0.114 0.000 0.844 255 D CB 1.644 42.403 40.800 -0.069 0.000 1.059 255 D HN -0.186 nan 8.370 nan 0.000 0.493 256 P HA -0.100 nan 4.420 nan 0.000 0.219 256 P C 0.970 177.754 177.300 -0.860 0.000 1.146 256 P CA 1.040 63.151 63.100 -1.650 0.000 0.808 256 P CB 0.190 31.099 31.700 -1.318 0.000 0.779 257 A N -0.130 122.441 122.820 -0.416 0.000 2.076 257 A HA -0.168 4.154 4.320 0.004 0.000 0.220 257 A C 1.952 179.477 177.584 -0.098 0.000 1.160 257 A CA 1.260 53.181 52.037 -0.193 0.000 0.653 257 A CB -0.713 18.217 19.000 -0.118 0.000 0.801 257 A HN 0.081 nan 8.150 nan 0.000 0.455 258 R N -1.390 119.052 120.500 -0.096 0.000 2.359 258 R HA 0.037 4.379 4.340 0.004 0.000 0.231 258 R C -0.682 175.753 176.300 0.226 0.000 0.913 258 R CA -0.357 55.775 56.100 0.053 0.000 1.075 258 R CB -0.029 30.309 30.300 0.064 0.000 1.087 258 R HN 0.542 nan 8.270 nan 0.000 0.515 259 W N 1.973 123.299 121.300 0.043 0.000 2.161 259 W HA 0.187 4.849 4.660 0.004 0.000 0.344 259 W C 1.020 177.560 176.519 0.034 0.000 1.262 259 W CA -0.343 57.034 57.345 0.053 0.000 1.270 259 W CB 0.358 29.866 29.460 0.081 0.000 1.126 259 W HN -0.089 nan 8.180 nan 0.000 0.598 260 T N -0.670 114.032 114.554 0.247 0.000 2.864 260 T HA 0.590 4.942 4.350 0.004 0.000 0.299 260 T C -0.878 173.863 174.700 0.068 0.000 1.166 260 T CA -1.012 61.163 62.100 0.124 0.000 1.007 260 T CB 1.742 70.656 68.868 0.077 0.000 1.219 260 T HN 0.099 nan 8.240 nan 0.000 0.506 261 I N 2.423 123.016 120.570 0.039 0.000 2.297 261 I HA 0.259 4.431 4.170 0.004 0.000 0.291 261 I C 1.307 177.417 176.117 -0.012 0.000 1.033 261 I CA -0.179 61.123 61.300 0.004 0.000 1.253 261 I CB 0.876 38.883 38.000 0.012 0.000 1.396 261 I HN 0.848 nan 8.210 nan 0.000 0.476 262 Q N 3.453 123.214 119.800 -0.064 0.000 2.269 262 Q HA 0.006 4.349 4.340 0.004 0.000 0.201 262 Q C 0.140 176.127 176.000 -0.023 0.000 0.946 262 Q CA 0.960 56.727 55.803 -0.061 0.000 0.877 262 Q CB 0.481 29.152 28.738 -0.112 0.000 0.963 262 Q HN 0.394 nan 8.270 nan 0.000 0.472 263 K N -0.677 119.704 120.400 -0.031 0.000 2.578 263 K HA 0.388 4.710 4.320 0.004 0.000 0.269 263 K C -1.925 174.820 176.600 0.242 0.000 0.941 263 K CA -0.368 56.003 56.287 0.140 0.000 0.847 263 K CB 2.367 35.013 32.500 0.244 0.000 1.397 263 K HN -0.194 nan 8.250 nan 0.000 0.422 264 V N 3.018 123.166 119.914 0.390 0.000 2.769 264 V HA 0.640 4.762 4.120 0.004 0.000 0.312 264 V C -1.226 175.206 176.094 0.563 0.000 1.061 264 V CA -0.813 61.736 62.300 0.415 0.000 0.931 264 V CB 1.676 33.644 31.823 0.241 0.000 1.010 264 V HN 0.707 nan 8.190 nan 0.000 0.433 265 F N 4.336 124.462 119.950 0.294 0.000 2.562 265 F HA 0.665 5.195 4.527 0.004 0.000 0.319 265 F C -1.516 174.345 175.800 0.102 0.000 1.154 265 F CA -0.637 57.396 58.000 0.056 0.000 0.931 265 F CB 1.501 40.371 39.000 -0.216 0.000 1.198 265 F HN 0.517 nan 8.300 nan 0.000 0.444 266 Y N 5.560 125.652 120.300 -0.346 0.000 2.373 266 Y HA 0.304 4.857 4.550 0.004 0.000 0.336 266 Y C 0.007 175.636 175.900 -0.451 0.000 0.979 266 Y CA -0.906 57.007 58.100 -0.312 0.000 1.080 266 Y CB 1.371 39.636 38.460 -0.326 0.000 1.190 266 Y HN 0.735 nan 8.280 nan 0.000 0.446 267 Q N 4.701 123.863 119.800 -1.064 0.000 2.395 267 Q HA -0.264 4.078 4.340 0.004 0.000 0.326 267 Q C 0.948 176.519 176.000 -0.716 0.000 1.302 267 Q CA 1.404 56.712 55.803 -0.825 0.000 0.949 267 Q CB -1.468 26.658 28.738 -1.020 0.000 1.204 267 Q HN 1.337 nan 8.270 nan 0.000 0.444 268 G N -0.567 107.488 108.800 -1.242 0.000 2.159 268 G HA2 -0.276 3.687 3.960 0.004 0.000 0.227 268 G HA3 -0.276 3.687 3.960 0.004 0.000 0.227 268 G C -0.063 174.023 174.900 -1.357 0.000 0.986 268 G CA 0.142 44.106 45.100 -1.893 0.000 0.651 268 G HN 0.332 nan 8.290 nan 0.000 0.523 269 R N -1.172 118.459 120.500 -1.448 0.000 2.698 269 R HA 0.552 4.895 4.340 0.004 0.000 0.275 269 R C -1.073 174.711 176.300 -0.861 0.000 1.001 269 R CA -0.865 54.728 56.100 -0.845 0.000 0.896 269 R CB 1.311 31.338 30.300 -0.455 0.000 1.218 269 R HN 0.124 nan 8.270 nan 0.000 0.462 270 Y N 1.041 121.130 120.300 -0.351 0.000 2.301 270 Y HA 0.370 4.923 4.550 0.004 0.000 0.325 270 Y C -0.328 175.362 175.900 -0.350 0.000 1.203 270 Y CA 0.094 58.152 58.100 -0.070 0.000 1.255 270 Y CB 0.889 39.410 38.460 0.102 0.000 1.232 270 Y HN 0.378 nan 8.280 nan 0.000 0.501 271 Y N 0.086 120.520 120.300 0.223 0.000 2.534 271 Y HA 0.220 4.772 4.550 0.004 0.000 0.345 271 Y C 0.313 176.302 175.900 0.149 0.000 1.031 271 Y CA -1.276 56.903 58.100 0.131 0.000 1.022 271 Y CB 1.521 40.017 38.460 0.060 0.000 1.292 271 Y HN 0.541 nan 8.280 nan 0.000 0.459 272 D N 0.433 120.977 120.400 0.240 0.000 2.234 272 D HA 0.010 4.652 4.640 0.004 0.000 0.205 272 D C 0.075 176.453 176.300 0.131 0.000 0.962 272 D CA 1.134 55.229 54.000 0.158 0.000 0.855 272 D CB 0.301 41.163 40.800 0.103 0.000 0.951 272 D HN 0.422 nan 8.370 nan 0.000 0.500 273 S N -1.616 114.163 115.700 0.131 0.000 2.588 273 S HA 0.330 4.803 4.470 0.004 0.000 0.269 273 S C 0.569 175.183 174.600 0.024 0.000 1.157 273 S CA -0.785 57.456 58.200 0.068 0.000 0.824 273 S CB 1.019 64.245 63.200 0.044 0.000 1.126 273 S HN -0.073 nan 8.310 nan 0.000 0.464 274 L N 0.889 122.095 121.223 -0.029 0.000 2.187 274 L HA -0.031 4.311 4.340 0.004 0.000 0.213 274 L C 2.826 179.634 176.870 -0.103 0.000 1.100 274 L CA 1.796 56.572 54.840 -0.107 0.000 0.765 274 L CB -0.753 41.233 42.059 -0.122 0.000 0.904 274 L HN 0.946 nan 8.230 nan 0.000 0.437 275 A N -0.557 122.235 122.820 -0.047 0.000 1.897 275 A HA -0.228 4.095 4.320 0.004 0.000 0.215 275 A C 2.286 179.862 177.584 -0.014 0.000 1.181 275 A CA 1.420 53.439 52.037 -0.031 0.000 0.620 275 A CB -0.451 18.544 19.000 -0.009 0.000 0.821 275 A HN 0.481 nan 8.150 nan 0.000 0.443 276 Q N -0.641 119.170 119.800 0.018 0.000 2.084 276 Q HA -0.176 4.167 4.340 0.004 0.000 0.202 276 Q C 1.956 177.985 176.000 0.049 0.000 0.978 276 Q CA 1.720 57.560 55.803 0.062 0.000 0.844 276 Q CB -0.281 28.528 28.738 0.118 0.000 0.898 276 Q HN 0.488 nan 8.270 nan 0.000 0.426 277 L N 1.339 122.526 121.223 -0.060 0.000 2.012 277 L HA -0.188 4.155 4.340 0.004 0.000 0.210 277 L C 2.219 178.959 176.870 -0.217 0.000 1.073 277 L CA 2.490 57.125 54.840 -0.341 0.000 0.748 277 L CB -0.817 40.868 42.059 -0.623 0.000 0.891 277 L HN 0.308 nan 8.230 nan 0.000 0.431 278 E N -0.075 120.032 120.200 -0.155 0.000 2.077 278 E HA -0.153 4.199 4.350 0.004 0.000 0.193 278 E C 2.081 178.704 176.600 0.038 0.000 0.989 278 E CA 1.640 57.999 56.400 -0.068 0.000 0.800 278 E CB -0.461 29.191 29.700 -0.080 0.000 0.746 278 E HN 0.552 nan 8.360 nan 0.000 0.452 279 A N 0.238 123.065 122.820 0.012 0.000 1.877 279 A HA -0.222 4.100 4.320 0.004 0.000 0.216 279 A C 2.255 179.852 177.584 0.022 0.000 1.186 279 A CA 1.803 53.851 52.037 0.018 0.000 0.620 279 A CB -0.734 18.275 19.000 0.016 0.000 0.822 279 A HN 0.377 nan 8.150 nan 0.000 0.443 280 Q N -1.882 117.946 119.800 0.047 0.000 2.170 280 Q HA -0.140 4.202 4.340 0.004 0.000 0.203 280 Q C 1.718 177.750 176.000 0.054 0.000 0.976 280 Q CA 1.696 57.541 55.803 0.069 0.000 0.858 280 Q CB -0.273 28.562 28.738 0.161 0.000 0.907 280 Q HN 0.739 nan 8.270 nan 0.000 0.433 281 F N 1.087 120.980 119.950 -0.094 0.000 2.113 281 F HA -0.124 4.405 4.527 0.004 0.000 0.297 281 F C 1.655 177.391 175.800 -0.105 0.000 1.103 281 F CA 1.647 59.574 58.000 -0.120 0.000 1.248 281 F CB -0.034 38.852 39.000 -0.190 0.000 0.999 281 F HN 0.045 nan 8.300 nan 0.000 0.475 282 E N 0.230 120.285 120.200 -0.241 0.000 2.153 282 E HA -0.140 4.213 4.350 0.004 0.000 0.194 282 E C 2.113 178.556 176.600 -0.261 0.000 0.988 282 E CA 0.830 57.042 56.400 -0.315 0.000 0.811 282 E CB -0.359 29.286 29.700 -0.091 0.000 0.746 282 E HN 0.487 nan 8.360 nan 0.000 0.466 283 A N 0.257 122.979 122.820 -0.164 0.000 2.239 283 A HA 0.165 4.488 4.320 0.004 0.000 0.209 283 A C 1.763 179.268 177.584 -0.133 0.000 1.171 283 A CA 0.921 52.890 52.037 -0.113 0.000 0.768 283 A CB -0.384 18.585 19.000 -0.052 0.000 0.790 283 A HN 0.351 nan 8.150 nan 0.000 0.478 284 G N -2.044 106.627 108.800 -0.214 0.000 2.157 284 G HA2 -0.237 3.725 3.960 0.004 0.000 0.248 284 G HA3 -0.237 3.725 3.960 0.004 0.000 0.248 284 G C 0.661 175.498 174.900 -0.105 0.000 0.979 284 G CA 0.524 45.505 45.100 -0.198 0.000 0.650 284 G HN 0.764 nan 8.290 nan 0.000 0.529 285 L N 0.477 121.666 121.223 -0.056 0.000 2.375 285 L HA 0.461 4.804 4.340 0.004 0.000 0.215 285 L C 1.239 178.145 176.870 0.060 0.000 1.108 285 L CA 0.726 55.573 54.840 0.010 0.000 0.830 285 L CB 0.606 42.686 42.059 0.034 0.000 0.959 285 L HN 0.127 nan 8.230 nan 0.000 0.457 286 V N 1.402 121.370 119.914 0.090 0.000 2.334 286 V HA 0.187 4.310 4.120 0.004 0.000 0.267 286 V C -0.314 175.889 176.094 0.181 0.000 1.040 286 V CA -0.593 61.814 62.300 0.178 0.000 0.866 286 V CB 0.337 32.307 31.823 0.245 0.000 1.019 286 V HN 0.324 nan 8.190 nan 0.000 0.468 287 N N 3.666 122.452 118.700 0.143 0.000 2.405 287 N HA 0.303 5.045 4.740 0.004 0.000 0.260 287 N C -0.618 174.990 175.510 0.163 0.000 1.152 287 N CA -0.337 52.796 53.050 0.137 0.000 0.948 287 N CB 1.263 39.813 38.487 0.105 0.000 1.111 287 N HN 0.465 nan 8.380 nan 0.000 0.485 288 V N 3.401 123.441 119.914 0.210 0.000 2.364 288 V HA 0.148 4.270 4.120 0.004 0.000 0.272 288 V C 0.364 176.541 176.094 0.138 0.000 1.036 288 V CA -0.786 61.638 62.300 0.206 0.000 0.880 288 V CB 1.246 33.265 31.823 0.326 0.000 0.991 288 V HN 0.363 nan 8.190 nan 0.000 0.460 289 V N 7.004 126.947 119.914 0.049 0.000 2.555 289 V HA 0.213 4.335 4.120 0.004 0.000 0.286 289 V C 0.268 176.338 176.094 -0.041 0.000 1.044 289 V CA -0.227 62.106 62.300 0.055 0.000 1.026 289 V CB 1.262 33.189 31.823 0.174 0.000 0.981 289 V HN 0.619 nan 8.190 nan 0.000 0.480 290 L N 6.821 128.038 121.223 -0.010 0.000 2.268 290 L HA 0.452 4.794 4.340 0.004 0.000 0.289 290 L C -0.217 176.647 176.870 -0.009 0.000 1.064 290 L CA -0.054 54.775 54.840 -0.019 0.000 0.824 290 L CB 0.416 42.475 42.059 0.001 0.000 1.202 290 L HN 0.488 nan 8.230 nan 0.000 0.433 291 I N 6.085 126.680 120.570 0.041 0.000 2.312 291 I HA 0.231 4.403 4.170 0.004 0.000 0.291 291 I C -1.721 174.705 176.117 0.515 0.000 1.031 291 I CA -1.825 59.609 61.300 0.223 0.000 1.293 291 I CB 0.750 38.923 38.000 0.289 0.000 1.403 291 I HN 0.370 nan 8.210 nan 0.000 0.484 292 P HA 0.038 nan 4.420 nan 0.000 0.272 292 P C -0.445 177.000 177.300 0.241 0.000 1.223 292 P CA -0.058 63.264 63.100 0.370 0.000 0.784 292 P CB 0.889 32.755 31.700 0.276 0.000 0.923 293 D N -0.267 119.928 120.400 -0.341 0.000 2.431 293 D HA 0.105 4.748 4.640 0.004 0.000 0.213 293 D C -0.136 175.895 176.300 -0.450 0.000 1.130 293 D CA -0.056 53.515 54.000 -0.715 0.000 0.834 293 D CB -0.221 39.663 40.800 -1.527 0.000 0.985 293 D HN 0.138 nan 8.370 nan 0.000 0.504 294 N N -0.884 117.388 118.700 -0.714 0.000 2.416 294 N HA 0.685 5.428 4.740 0.004 0.000 0.276 294 N C -0.751 173.749 175.510 -1.683 0.000 1.261 294 N CA -0.115 52.310 53.050 -1.041 0.000 0.790 294 N CB 2.249 40.382 38.487 -0.591 0.000 1.554 294 N HN 0.151 nan 8.380 nan 0.000 0.481 295 G N -1.045 106.657 108.800 -1.830 0.000 2.428 295 G HA2 0.470 4.433 3.960 0.004 0.000 0.304 295 G HA3 0.470 4.433 3.960 0.004 0.000 0.304 295 G C -1.568 172.862 174.900 -0.783 0.000 1.303 295 G CA -0.187 43.994 45.100 -1.532 0.000 0.825 295 G HN 0.729 nan 8.290 nan 0.000 0.484 296 T N -3.007 111.339 114.554 -0.347 0.000 2.916 296 T HA 0.925 5.277 4.350 0.004 0.000 0.292 296 T C 0.559 175.383 174.700 0.208 0.000 1.055 296 T CA 0.541 62.633 62.100 -0.014 0.000 1.009 296 T CB 1.661 70.513 68.868 -0.028 0.000 1.118 296 T HN 2.747 nan 8.240 nan 0.000 0.497 297 G N 0.300 109.227 108.800 0.211 0.000 2.549 297 G HA2 0.239 4.202 3.960 0.004 0.000 0.404 297 G HA3 0.239 4.202 3.960 0.004 0.000 0.404 297 G C 0.769 175.814 174.900 0.242 0.000 1.292 297 G CA -0.051 45.175 45.100 0.209 0.000 0.935 297 G HN 1.578 nan 8.290 nan 0.000 0.512 298 G N -0.270 108.634 108.800 0.173 0.000 2.450 298 G HA2 0.097 4.059 3.960 0.004 0.000 0.220 298 G HA3 0.097 4.059 3.960 0.004 0.000 0.220 298 G C 2.012 177.000 174.900 0.146 0.000 1.130 298 G CA 2.291 47.472 45.100 0.135 0.000 0.760 298 G HN 2.066 nan 8.290 nan 0.000 0.557 299 S N -1.907 113.871 115.700 0.130 0.000 2.631 299 S HA 0.129 4.601 4.470 0.004 0.000 0.217 299 S C 1.272 175.765 174.600 -0.179 0.000 0.958 299 S CA 0.031 58.202 58.200 -0.050 0.000 0.920 299 S CB -0.298 62.795 63.200 -0.178 0.000 0.776 299 S HN 0.613 nan 8.310 nan 0.000 0.517 300 W N 1.357 122.806 121.300 0.248 0.000 2.701 300 W HA 0.402 5.065 4.660 0.004 0.000 0.254 300 W C 0.790 177.381 176.519 0.120 0.000 1.017 300 W CA 0.138 57.594 57.345 0.184 0.000 1.326 300 W CB 0.387 29.905 29.460 0.097 0.000 0.881 300 W HN 0.401 nan 8.180 nan 0.000 0.647 301 S N -0.795 115.094 115.700 0.316 0.000 2.656 301 S HA 0.509 4.981 4.470 0.004 0.000 0.273 301 S C -0.536 174.174 174.600 0.182 0.000 1.168 301 S CA -0.684 57.647 58.200 0.218 0.000 0.817 301 S CB 1.250 64.547 63.200 0.163 0.000 1.146 301 S HN -0.009 nan 8.310 nan 0.000 0.475 302 L N 0.204 121.512 121.223 0.143 0.000 2.766 302 L HA 0.444 4.786 4.340 0.004 0.000 0.242 302 L C 0.727 177.633 176.870 0.060 0.000 1.136 302 L CA -0.010 54.889 54.840 0.098 0.000 0.933 302 L CB 0.241 42.363 42.059 0.105 0.000 1.241 302 L HN 0.632 nan 8.230 nan 0.000 0.522 303 K N 1.308 121.744 120.400 0.061 0.000 2.276 303 K HA 0.147 4.469 4.320 0.004 0.000 0.285 303 K C 0.101 176.720 176.600 0.031 0.000 1.062 303 K CA -0.054 56.255 56.287 0.037 0.000 0.918 303 K CB 1.217 33.736 32.500 0.032 0.000 1.055 303 K HN -0.122 nan 8.250 nan 0.000 0.477 304 S N 4.779 120.489 115.700 0.016 0.000 2.533 304 S HA 0.139 4.611 4.470 0.004 0.000 0.282 304 S C -1.260 173.346 174.600 0.010 0.000 1.304 304 S CA -1.298 56.909 58.200 0.012 0.000 1.063 304 S CB 0.652 63.852 63.200 0.001 0.000 0.881 304 S HN 0.561 nan 8.310 nan 0.000 0.493 305 P HA 0.101 nan 4.420 nan 0.000 0.245 305 P C -0.383 176.918 177.300 0.002 0.000 1.212 305 P CA 0.147 63.253 63.100 0.010 0.000 0.774 305 P CB -0.009 31.700 31.700 0.015 0.000 0.999 306 V N 3.873 123.787 119.914 -0.000 0.000 2.394 306 V HA 0.262 4.384 4.120 0.004 0.000 0.282 306 V C -1.838 174.250 176.094 -0.010 0.000 1.031 306 V CA -1.865 60.432 62.300 -0.005 0.000 0.881 306 V CB 1.132 32.952 31.823 -0.005 0.000 0.982 306 V HN 0.059 nan 8.190 nan 0.000 0.451 307 P HA 0.217 nan 4.420 nan 0.000 0.269 307 P C -2.474 174.814 177.300 -0.020 0.000 1.209 307 P CA -0.932 62.158 63.100 -0.017 0.000 0.776 307 P CB -0.309 31.382 31.700 -0.016 0.000 0.876 308 P HA 0.130 nan 4.420 nan 0.000 0.266 308 P C 0.398 177.681 177.300 -0.027 0.000 1.195 308 P CA 0.263 63.346 63.100 -0.030 0.000 0.768 308 P CB 0.460 32.137 31.700 -0.038 0.000 0.838 309 G N 2.282 111.066 108.800 -0.027 0.000 3.039 309 G HA2 0.561 4.524 3.960 0.004 0.000 0.159 309 G HA3 0.561 4.524 3.960 0.004 0.000 0.159 309 G C -2.371 172.511 174.900 -0.029 0.000 1.284 309 G CA -0.948 44.136 45.100 -0.025 0.000 0.996 309 G HN 0.359 nan 8.290 nan 0.000 0.592 310 P HA 0.404 nan 4.420 nan 0.000 0.265 310 P C -0.069 177.211 177.300 -0.033 0.000 1.187 310 P CA -0.048 63.035 63.100 -0.029 0.000 0.766 310 P CB 0.596 32.282 31.700 -0.024 0.000 0.820 311 A N 4.575 127.371 122.820 -0.040 0.000 2.477 311 A HA 0.372 4.694 4.320 0.004 0.000 0.246 311 A C -1.532 176.030 177.584 -0.037 0.000 1.078 311 A CA -0.784 51.225 52.037 -0.047 0.000 0.770 311 A CB -1.081 17.882 19.000 -0.061 0.000 1.011 311 A HN 0.484 nan 8.150 nan 0.000 0.494 312 P HA 0.348 nan 4.420 nan 0.000 0.274 312 P C -2.512 174.776 177.300 -0.020 0.000 1.237 312 P CA -1.056 62.029 63.100 -0.024 0.000 0.793 312 P CB -0.512 31.174 31.700 -0.023 0.000 0.977 313 P HA 0.162 nan 4.420 nan 0.000 0.267 313 P C -0.894 176.412 177.300 0.010 0.000 1.200 313 P CA -0.026 63.077 63.100 0.005 0.000 0.772 313 P CB 0.352 32.062 31.700 0.016 0.000 0.855 314 L N 1.299 122.537 121.223 0.025 0.000 2.436 314 L HA 0.424 4.766 4.340 0.004 0.000 0.268 314 L C -0.582 176.346 176.870 0.097 0.000 0.974 314 L CA -0.669 54.191 54.840 0.033 0.000 0.826 314 L CB 2.152 44.205 42.059 -0.011 0.000 1.291 314 L HN 0.348 nan 8.230 nan 0.000 0.406 315 Q N 3.447 123.295 119.800 0.081 0.000 2.241 315 Q HA 0.641 4.984 4.340 0.004 0.000 0.254 315 Q C -1.475 174.579 176.000 0.090 0.000 0.917 315 Q CA -0.505 55.349 55.803 0.085 0.000 0.919 315 Q CB 1.236 29.993 28.738 0.031 0.000 1.237 315 Q HN 0.623 nan 8.270 nan 0.000 0.434 316 F N 0.571 120.451 119.950 -0.117 0.000 2.629 316 F HA 0.557 5.085 4.527 0.002 0.000 0.316 316 F C -1.776 173.965 175.800 -0.098 0.000 1.081 316 F CA -1.321 56.561 58.000 -0.197 0.000 0.954 316 F CB 0.988 39.942 39.000 -0.078 0.000 1.337 316 F HN 0.309 nan 8.300 nan 0.000 0.474 317 Y N 2.157 122.462 120.300 0.007 0.000 2.518 317 Y HA 0.403 4.955 4.550 0.003 0.000 0.344 317 Y C -1.979 173.880 175.900 -0.067 0.000 0.982 317 Y CA -2.959 55.084 58.100 -0.096 0.000 1.234 317 Y CB 0.323 38.801 38.460 0.030 0.000 1.114 317 Y HN 0.426 nan 8.280 nan 0.000 0.515 318 P HA -0.183 nan 4.420 nan 0.000 0.217 318 P C 0.080 177.468 177.300 0.147 0.000 1.151 318 P CA 1.758 64.884 63.100 0.044 0.000 0.849 318 P CB 0.304 31.961 31.700 -0.071 0.000 0.787 319 Q N -1.077 118.784 119.800 0.101 0.000 2.182 319 Q HA 0.452 4.795 4.340 0.004 0.000 0.305 319 Q C 0.265 176.310 176.000 0.075 0.000 0.880 319 Q CA -0.222 55.632 55.803 0.084 0.000 1.131 319 Q CB 0.720 29.485 28.738 0.047 0.000 1.237 319 Q HN 0.109 nan 8.270 nan 0.000 0.447 320 G N 2.098 110.979 108.800 0.136 0.000 2.781 320 G HA2 -0.178 3.785 3.960 0.004 0.000 0.683 320 G HA3 -0.178 3.785 3.960 0.004 0.000 0.683 320 G C -2.781 172.115 174.900 -0.006 0.000 1.390 320 G CA -1.195 43.972 45.100 0.111 0.000 0.850 320 G HN 0.133 nan 8.290 nan 0.000 0.557 321 P HA 0.308 nan 4.420 nan 0.000 0.270 321 P C 0.267 177.302 177.300 -0.442 0.000 1.223 321 P CA -0.012 62.743 63.100 -0.575 0.000 0.785 321 P CB 0.530 31.865 31.700 -0.609 0.000 0.923 322 R N 0.280 120.518 120.500 -0.436 0.000 2.577 322 R HA 0.294 4.637 4.340 0.004 0.000 0.344 322 R C -0.299 175.996 176.300 -0.008 0.000 1.037 322 R CA -0.084 55.920 56.100 -0.160 0.000 1.102 322 R CB -0.128 30.122 30.300 -0.083 0.000 1.313 322 R HN 0.520 nan 8.270 nan 0.000 0.561 323 F N -1.823 118.041 119.950 -0.143 0.000 2.631 323 F HA 0.644 5.175 4.527 0.005 0.000 0.308 323 F C -0.606 175.142 175.800 -0.086 0.000 1.097 323 F CA -1.434 56.502 58.000 -0.107 0.000 0.952 323 F CB 1.149 40.085 39.000 -0.107 0.000 1.307 323 F HN -0.187 nan 8.300 nan 0.000 0.450 324 S N 1.070 116.793 115.700 0.039 0.000 2.578 324 S HA 0.874 5.346 4.470 0.004 0.000 0.301 324 S C -1.303 173.359 174.600 0.104 0.000 1.091 324 S CA -0.744 57.445 58.200 -0.018 0.000 1.032 324 S CB 1.780 64.959 63.200 -0.034 0.000 1.064 324 S HN 0.787 nan 8.310 nan 0.000 0.508 325 V N 2.564 122.534 119.914 0.094 0.000 2.376 325 V HA 0.467 4.589 4.120 0.004 0.000 0.287 325 V C -0.641 175.506 176.094 0.089 0.000 1.015 325 V CA -0.458 61.925 62.300 0.139 0.000 0.834 325 V CB 0.988 32.940 31.823 0.215 0.000 1.001 325 V HN 0.940 nan 8.190 nan 0.000 0.428 326 Q N 3.351 123.186 119.800 0.058 0.000 2.347 326 Q HA 0.556 4.898 4.340 0.004 0.000 0.265 326 Q C 0.850 176.854 176.000 0.007 0.000 1.024 326 Q CA 0.092 55.911 55.803 0.028 0.000 0.731 326 Q CB 2.255 30.995 28.738 0.004 0.000 1.245 326 Q HN 1.031 nan 8.270 nan 0.000 0.472 327 G N 2.140 110.949 108.800 0.016 0.000 2.601 327 G HA2 -0.372 3.590 3.960 0.004 0.000 0.306 327 G HA3 -0.372 3.590 3.960 0.004 0.000 0.306 327 G C 0.662 175.494 174.900 -0.112 0.000 1.172 327 G CA 0.583 45.669 45.100 -0.023 0.000 0.966 327 G HN 0.516 nan 8.290 nan 0.000 0.542 328 S N 1.312 116.870 115.700 -0.237 0.000 2.539 328 S HA 0.299 4.772 4.470 0.004 0.000 0.221 328 S C 0.937 175.260 174.600 -0.462 0.000 0.987 328 S CA 0.053 57.874 58.200 -0.633 0.000 0.929 328 S CB 0.288 63.166 63.200 -0.536 0.000 0.832 328 S HN 0.552 nan 8.310 nan 0.000 0.492 329 R N 1.422 121.833 120.500 -0.147 0.000 2.312 329 R HA 0.541 4.884 4.340 0.004 0.000 0.311 329 R C -0.990 175.259 176.300 -0.085 0.000 1.004 329 R CA -0.258 55.788 56.100 -0.090 0.000 0.902 329 R CB 1.395 31.657 30.300 -0.065 0.000 1.073 329 R HN 0.029 nan 8.270 nan 0.000 0.457 330 V N 1.811 121.520 119.914 -0.341 0.000 2.630 330 V HA 0.720 4.843 4.120 0.004 0.000 0.305 330 V C -0.234 175.572 176.094 -0.481 0.000 1.046 330 V CA -0.610 61.401 62.300 -0.480 0.000 0.934 330 V CB 1.750 32.986 31.823 -0.979 0.000 1.003 330 V HN 0.936 nan 8.190 nan 0.000 0.451 331 A N 3.030 125.719 122.820 -0.219 0.000 2.427 331 A HA 0.874 5.196 4.320 0.004 0.000 0.298 331 A C -0.380 177.197 177.584 -0.012 0.000 1.036 331 A CA -0.136 51.824 52.037 -0.129 0.000 0.701 331 A CB 1.997 20.949 19.000 -0.080 0.000 1.250 331 A HN 1.072 nan 8.150 nan 0.000 0.412 332 S N 0.290 115.999 115.700 0.015 0.000 2.745 332 S HA 0.626 5.099 4.470 0.004 0.000 0.306 332 S C 1.161 175.764 174.600 0.005 0.000 1.137 332 S CA 0.293 58.532 58.200 0.065 0.000 0.900 332 S CB 1.081 64.358 63.200 0.128 0.000 1.176 332 S HN 1.835 nan 8.310 nan 0.000 0.520 333 S N 0.191 115.886 115.700 -0.009 0.000 2.442 333 S HA -0.027 4.446 4.470 0.004 0.000 0.236 333 S C 1.424 175.925 174.600 -0.164 0.000 1.007 333 S CA 1.057 59.216 58.200 -0.070 0.000 0.965 333 S CB -0.900 62.267 63.200 -0.055 0.000 0.773 333 S HN 0.648 nan 8.310 nan 0.000 0.504 334 L N -2.273 118.837 121.223 -0.190 0.000 2.467 334 L HA 0.441 4.783 4.340 0.004 0.000 0.213 334 L C 0.370 176.883 176.870 -0.596 0.000 1.053 334 L CA -0.162 54.355 54.840 -0.539 0.000 0.847 334 L CB 0.051 41.762 42.059 -0.580 0.000 1.075 334 L HN 0.292 nan 8.230 nan 0.000 0.479 335 W N -0.720 120.516 121.300 -0.106 0.000 2.761 335 W HA 0.540 5.202 4.660 0.004 0.000 0.340 335 W C -0.242 176.218 176.519 -0.097 0.000 1.072 335 W CA -0.450 56.875 57.345 -0.033 0.000 1.215 335 W CB 1.908 31.357 29.460 -0.019 0.000 1.420 335 W HN -0.418 nan 8.180 nan 0.000 0.519 336 T N 3.327 118.037 114.554 0.259 0.000 2.916 336 T HA 0.708 5.060 4.350 0.004 0.000 0.298 336 T C -1.328 173.480 174.700 0.181 0.000 1.031 336 T CA -0.372 61.761 62.100 0.056 0.000 0.993 336 T CB 0.800 69.695 68.868 0.045 0.000 1.045 336 T HN 0.304 nan 8.240 nan 0.000 0.454 337 F N -0.258 119.688 119.950 -0.008 0.000 2.900 337 F HA 0.790 5.320 4.527 0.005 0.000 0.321 337 F C -1.210 174.614 175.800 0.040 0.000 1.160 337 F CA -1.117 56.879 58.000 -0.006 0.000 0.890 337 F CB 0.966 39.914 39.000 -0.086 0.000 1.334 337 F HN 0.419 nan 8.300 nan 0.000 0.459 338 S N 0.885 116.810 115.700 0.375 0.000 2.521 338 S HA 0.839 5.311 4.470 0.004 0.000 0.295 338 S C -1.336 173.481 174.600 0.363 0.000 1.098 338 S CA -0.592 57.758 58.200 0.249 0.000 0.999 338 S CB 0.787 64.088 63.200 0.168 0.000 1.034 338 S HN 0.969 nan 8.310 nan 0.000 0.483 339 F N 1.821 121.887 119.950 0.193 0.000 2.593 339 F HA 1.027 5.556 4.527 0.003 0.000 0.320 339 F C 0.261 176.070 175.800 0.014 0.000 1.060 339 F CA -0.432 57.631 58.000 0.105 0.000 0.940 339 F CB 1.191 40.229 39.000 0.064 0.000 1.268 339 F HN 0.788 nan 8.300 nan 0.000 0.475 340 G N 0.762 109.676 108.800 0.189 0.000 2.494 340 G HA2 0.563 4.526 3.960 0.004 0.000 0.308 340 G HA3 0.563 4.526 3.960 0.004 0.000 0.308 340 G C -2.758 172.367 174.900 0.375 0.000 1.263 340 G CA -0.867 44.346 45.100 0.188 0.000 0.840 340 G HN 0.873 nan 8.290 nan 0.000 0.479 341 L N 0.784 122.196 121.223 0.315 0.000 2.580 341 L HA 0.682 5.025 4.340 0.004 0.000 0.266 341 L C 0.404 177.348 176.870 0.124 0.000 0.955 341 L CA -0.040 54.828 54.840 0.047 0.000 0.886 341 L CB 1.391 43.159 42.059 -0.485 0.000 1.263 341 L HN 1.100 nan 8.230 nan 0.000 0.406 342 G N 2.522 111.363 108.800 0.068 0.000 2.403 342 G HA2 0.445 4.407 3.960 0.004 0.000 0.259 342 G HA3 0.445 4.407 3.960 0.004 0.000 0.259 342 G C 0.941 175.842 174.900 0.001 0.000 1.244 342 G CA 0.093 45.256 45.100 0.106 0.000 0.849 342 G HN 1.053 nan 8.290 nan 0.000 0.532 343 A N 2.242 125.050 122.820 -0.020 0.000 1.948 343 A HA -0.055 4.267 4.320 0.004 0.000 0.220 343 A C 1.736 179.013 177.584 -0.511 0.000 1.177 343 A CA 1.686 53.533 52.037 -0.317 0.000 0.636 343 A CB -0.299 18.234 19.000 -0.778 0.000 0.815 343 A HN 0.667 nan 8.150 nan 0.000 0.449 344 F N -1.004 119.005 119.950 0.098 0.000 2.592 344 F HA 0.058 4.588 4.527 0.004 0.000 0.280 344 F C 2.594 178.378 175.800 -0.026 0.000 1.083 344 F CA 0.633 58.667 58.000 0.056 0.000 1.365 344 F CB -0.033 38.998 39.000 0.052 0.000 1.100 344 F HN 0.214 nan 8.300 nan 0.000 0.633 345 S N -0.456 115.303 115.700 0.098 0.000 2.501 345 S HA 0.517 4.989 4.470 0.004 0.000 0.220 345 S C 1.251 175.704 174.600 -0.244 0.000 0.997 345 S CA 0.354 58.519 58.200 -0.059 0.000 0.919 345 S CB -0.207 62.985 63.200 -0.013 0.000 0.778 345 S HN 0.603 nan 8.310 nan 0.000 0.523 346 G N 1.573 110.237 108.800 -0.226 0.000 2.545 346 G HA2 -0.093 3.870 3.960 0.004 0.000 0.216 346 G HA3 -0.093 3.870 3.960 0.004 0.000 0.216 346 G C -3.217 171.497 174.900 -0.310 0.000 1.314 346 G CA -0.702 44.172 45.100 -0.377 0.000 0.906 346 G HN 0.378 nan 8.290 nan 0.000 0.563 347 P HA 0.368 nan 4.420 nan 0.000 0.265 347 P C -0.119 177.110 177.300 -0.118 0.000 1.193 347 P CA 0.507 63.516 63.100 -0.152 0.000 0.765 347 P CB 0.360 31.978 31.700 -0.136 0.000 0.823 348 R N 2.424 122.913 120.500 -0.018 0.000 2.698 348 R HA 0.777 5.120 4.340 0.004 0.000 0.275 348 R C -1.347 174.881 176.300 -0.120 0.000 1.001 348 R CA -0.929 55.089 56.100 -0.137 0.000 0.896 348 R CB 1.547 31.765 30.300 -0.137 0.000 1.218 348 R HN 0.271 nan 8.270 nan 0.000 0.462 349 I N 1.914 122.277 120.570 -0.345 0.000 2.647 349 I HA 0.519 4.691 4.170 0.004 0.000 0.295 349 I C -1.215 174.546 176.117 -0.594 0.000 1.078 349 I CA -0.986 60.164 61.300 -0.250 0.000 1.048 349 I CB 2.164 40.059 38.000 -0.174 0.000 1.239 349 I HN 0.514 nan 8.210 nan 0.000 0.421 350 F N 2.318 122.120 119.950 -0.246 0.000 2.576 350 F HA 0.278 4.808 4.527 0.004 0.000 0.313 350 F C 0.069 175.593 175.800 -0.460 0.000 1.078 350 F CA -0.566 57.059 58.000 -0.625 0.000 0.921 350 F CB 1.588 39.784 39.000 -1.339 0.000 1.232 350 F HN 0.487 nan 8.300 nan 0.000 0.459 351 D N 1.719 121.946 120.400 -0.289 0.000 2.737 351 D HA -0.155 4.487 4.640 0.004 0.000 0.238 351 D C -1.095 175.267 176.300 0.104 0.000 1.157 351 D CA 0.277 54.237 54.000 -0.066 0.000 0.694 351 D CB -0.563 40.238 40.800 0.002 0.000 1.021 351 D HN 0.161 nan 8.370 nan 0.000 0.420 352 V N 2.970 122.959 119.914 0.126 0.000 2.405 352 V HA 0.252 4.375 4.120 0.004 0.000 0.264 352 V C 1.145 177.429 176.094 0.316 0.000 1.048 352 V CA 0.187 62.648 62.300 0.269 0.000 0.966 352 V CB 0.874 32.844 31.823 0.246 0.000 1.015 352 V HN 0.178 nan 8.190 nan 0.000 0.477 353 R N 4.491 125.208 120.500 0.361 0.000 2.387 353 R HA 0.476 4.818 4.340 0.004 0.000 0.314 353 R C -1.077 175.420 176.300 0.328 0.000 0.958 353 R CA -0.592 55.685 56.100 0.295 0.000 0.846 353 R CB 2.054 32.463 30.300 0.180 0.000 1.147 353 R HN 0.577 nan 8.270 nan 0.000 0.447 354 F N 2.696 122.682 119.950 0.061 0.000 2.404 354 F HA 0.109 4.638 4.527 0.005 0.000 0.354 354 F C 0.576 176.331 175.800 -0.074 0.000 1.122 354 F CA -0.066 57.790 58.000 -0.239 0.000 1.080 354 F CB 0.983 39.793 39.000 -0.316 0.000 1.131 354 F HN 0.632 nan 8.300 nan 0.000 0.471 355 Q N 4.488 123.883 119.800 -0.675 0.000 2.411 355 Q HA -0.260 4.082 4.340 0.004 0.000 0.305 355 Q C 1.085 177.015 176.000 -0.117 0.000 1.273 355 Q CA 1.056 56.605 55.803 -0.423 0.000 0.895 355 Q CB -1.424 27.050 28.738 -0.440 0.000 1.198 355 Q HN 1.311 nan 8.270 nan 0.000 0.470 356 G N -0.273 108.495 108.800 -0.053 0.000 2.217 356 G HA2 -0.338 3.624 3.960 0.004 0.000 0.246 356 G HA3 -0.338 3.624 3.960 0.004 0.000 0.246 356 G C -0.156 174.795 174.900 0.085 0.000 0.990 356 G CA 0.264 45.374 45.100 0.016 0.000 0.627 356 G HN 0.465 nan 8.290 nan 0.000 0.522 357 E N 0.400 120.692 120.200 0.153 0.000 2.151 357 E HA 0.582 4.935 4.350 0.004 0.000 0.275 357 E C 0.431 177.170 176.600 0.231 0.000 0.936 357 E CA -1.046 55.478 56.400 0.206 0.000 0.777 357 E CB 0.642 30.509 29.700 0.278 0.000 1.108 357 E HN 0.329 nan 8.360 nan 0.000 0.401 358 R N 4.989 125.605 120.500 0.194 0.000 2.404 358 R HA 0.072 4.415 4.340 0.004 0.000 0.315 358 R C 0.437 176.825 176.300 0.146 0.000 1.032 358 R CA 0.165 56.372 56.100 0.179 0.000 0.992 358 R CB 0.322 30.724 30.300 0.170 0.000 0.959 358 R HN 0.736 nan 8.270 nan 0.000 0.428 359 L N 3.941 125.210 121.223 0.076 0.000 2.253 359 L HA 0.196 4.539 4.340 0.004 0.000 0.205 359 L C -0.065 176.744 176.870 -0.101 0.000 1.078 359 L CA 0.209 54.960 54.840 -0.150 0.000 0.805 359 L CB 0.401 42.248 42.059 -0.353 0.000 0.963 359 L HN 0.346 nan 8.230 nan 0.000 0.459 360 V N -1.718 118.198 119.914 0.003 0.000 2.733 360 V HA 0.109 4.231 4.120 0.004 0.000 0.306 360 V C 0.029 176.160 176.094 0.062 0.000 1.084 360 V CA -0.761 61.543 62.300 0.006 0.000 0.905 360 V CB 2.007 33.797 31.823 -0.055 0.000 1.010 360 V HN 0.057 nan 8.190 nan 0.000 0.424 361 Y N 3.306 123.600 120.300 -0.011 0.000 2.206 361 Y HA 0.202 4.755 4.550 0.004 0.000 0.292 361 Y C 1.011 176.893 175.900 -0.029 0.000 1.123 361 Y CA 1.840 59.957 58.100 0.027 0.000 1.142 361 Y CB 0.570 39.073 38.460 0.072 0.000 1.006 361 Y HN 0.693 nan 8.280 nan 0.000 0.518 362 E N 0.370 120.550 120.200 -0.033 0.000 2.290 362 E HA 0.424 4.777 4.350 0.004 0.000 0.274 362 E C -1.882 174.527 176.600 -0.320 0.000 0.889 362 E CA -0.590 55.589 56.400 -0.368 0.000 0.760 362 E CB 1.354 30.999 29.700 -0.092 0.000 1.206 362 E HN 0.227 nan 8.360 nan 0.000 0.419 363 I N 3.707 124.018 120.570 -0.433 0.000 2.439 363 I HA 0.317 4.489 4.170 0.004 0.000 0.285 363 I C -0.889 175.051 176.117 -0.295 0.000 1.021 363 I CA -0.422 60.711 61.300 -0.278 0.000 1.091 363 I CB 1.835 39.700 38.000 -0.224 0.000 1.242 363 I HN 0.531 nan 8.210 nan 0.000 0.439 364 S N 6.150 121.740 115.700 -0.184 0.000 2.546 364 S HA 0.623 5.095 4.470 0.004 0.000 0.274 364 S C -0.913 173.621 174.600 -0.110 0.000 1.121 364 S CA -0.864 57.237 58.200 -0.165 0.000 0.887 364 S CB 2.064 65.145 63.200 -0.198 0.000 1.094 364 S HN 0.442 nan 8.310 nan 0.000 0.474 365 L N 2.133 123.208 121.223 -0.247 0.000 2.461 365 L HA 0.382 4.724 4.340 0.004 0.000 0.272 365 L C 1.004 177.580 176.870 -0.491 0.000 1.197 365 L CA 0.821 55.285 54.840 -0.626 0.000 0.836 365 L CB 0.256 41.760 42.059 -0.925 0.000 1.105 365 L HN 0.875 nan 8.230 nan 0.000 0.477 366 Q N 1.699 121.148 119.800 -0.585 0.000 2.471 366 Q HA 0.284 4.626 4.340 0.004 0.000 0.259 366 Q C -0.261 175.499 176.000 -0.400 0.000 0.850 366 Q CA 0.194 55.789 55.803 -0.347 0.000 0.981 366 Q CB 1.141 29.774 28.738 -0.175 0.000 1.180 366 Q HN 0.684 nan 8.270 nan 0.000 0.571 367 E N -0.799 119.032 120.200 -0.615 0.000 2.401 367 E HA 0.654 5.006 4.350 0.004 0.000 0.280 367 E C -2.050 174.235 176.600 -0.525 0.000 1.039 367 E CA -0.374 55.742 56.400 -0.473 0.000 0.814 367 E CB 1.830 31.285 29.700 -0.409 0.000 1.275 367 E HN 0.100 nan 8.360 nan 0.000 0.448 368 A N 2.002 124.685 122.820 -0.228 0.000 2.414 368 A HA 0.833 5.155 4.320 0.004 0.000 0.306 368 A C -1.808 175.857 177.584 0.135 0.000 1.054 368 A CA -0.584 51.365 52.037 -0.147 0.000 0.724 368 A CB 1.075 19.847 19.000 -0.380 0.000 1.267 368 A HN 0.444 nan 8.150 nan 0.000 0.418 369 L N 1.604 122.962 121.223 0.225 0.000 2.436 369 L HA 0.860 5.202 4.340 0.004 0.000 0.268 369 L C -0.366 176.552 176.870 0.079 0.000 0.974 369 L CA -0.036 54.871 54.840 0.111 0.000 0.826 369 L CB 1.984 44.001 42.059 -0.070 0.000 1.291 369 L HN 1.117 nan 8.230 nan 0.000 0.406 370 A N 6.210 129.065 122.820 0.058 0.000 2.332 370 A HA 0.762 5.084 4.320 0.004 0.000 0.300 370 A C -1.096 176.430 177.584 -0.098 0.000 1.153 370 A CA -0.341 51.675 52.037 -0.036 0.000 0.764 370 A CB 0.631 19.702 19.000 0.118 0.000 1.174 370 A HN 0.624 nan 8.150 nan 0.000 0.467 371 I N 2.889 123.320 120.570 -0.232 0.000 2.355 371 I HA 0.318 4.491 4.170 0.004 0.000 0.288 371 I C -1.022 174.981 176.117 -0.190 0.000 0.999 371 I CA -0.406 60.791 61.300 -0.171 0.000 1.163 371 I CB 1.123 39.014 38.000 -0.183 0.000 1.316 371 I HN 0.662 nan 8.210 nan 0.000 0.454 372 Y N 3.758 124.009 120.300 -0.081 0.000 2.419 372 Y HA 0.666 5.218 4.550 0.004 0.000 0.328 372 Y C 0.855 176.739 175.900 -0.027 0.000 1.162 372 Y CA -0.256 57.819 58.100 -0.043 0.000 1.174 372 Y CB 2.024 40.422 38.460 -0.103 0.000 1.228 372 Y HN 0.529 nan 8.280 nan 0.000 0.473 373 G N -0.494 108.409 108.800 0.171 0.000 2.537 373 G HA2 0.687 4.650 3.960 0.004 0.000 0.308 373 G HA3 0.687 4.650 3.960 0.004 0.000 0.308 373 G C -0.881 174.087 174.900 0.113 0.000 1.237 373 G CA -0.501 44.687 45.100 0.146 0.000 0.968 373 G HN 0.938 nan 8.290 nan 0.000 0.481 374 G N -0.733 108.034 108.800 -0.056 0.000 2.328 374 G HA2 0.295 4.257 3.960 0.004 0.000 0.295 374 G HA3 0.295 4.257 3.960 0.004 0.000 0.295 374 G C -0.086 174.342 174.900 -0.787 0.000 1.413 374 G CA -0.426 44.504 45.100 -0.284 0.000 0.817 374 G HN 0.462 nan 8.290 nan 0.000 0.546 375 N N -0.709 117.633 118.700 -0.596 0.000 2.409 375 N HA 0.146 4.888 4.740 0.004 0.000 0.179 375 N C 0.773 176.153 175.510 -0.216 0.000 1.032 375 N CA 0.868 53.614 53.050 -0.508 0.000 0.898 375 N CB 0.254 38.464 38.487 -0.462 0.000 0.971 375 N HN 0.408 nan 8.380 nan 0.000 0.441 376 S N -0.243 115.259 115.700 -0.331 0.000 2.621 376 S HA 0.385 4.858 4.470 0.004 0.000 0.302 376 S C -1.860 172.284 174.600 -0.760 0.000 1.093 376 S CA -1.212 56.602 58.200 -0.643 0.000 1.017 376 S CB 2.380 65.326 63.200 -0.422 0.000 1.077 376 S HN -0.042 nan 8.310 nan 0.000 0.517 377 P HA -0.082 nan 4.420 nan 0.000 0.216 377 P C 1.209 177.926 177.300 -0.971 0.000 1.150 377 P CA 1.208 63.640 63.100 -1.114 0.000 0.837 377 P CB 0.036 30.576 31.700 -1.934 0.000 0.786 378 A N 0.408 122.738 122.820 -0.816 0.000 1.841 378 A HA -0.154 4.169 4.320 0.004 0.000 0.216 378 A C 2.393 179.798 177.584 -0.299 0.000 1.199 378 A CA 2.507 54.313 52.037 -0.384 0.000 0.621 378 A CB -1.727 17.194 19.000 -0.133 0.000 0.835 378 A HN 0.182 nan 8.150 nan 0.000 0.445 379 A N -0.984 121.659 122.820 -0.295 0.000 1.892 379 A HA -0.249 4.074 4.320 0.004 0.000 0.218 379 A C 2.321 179.806 177.584 -0.164 0.000 1.188 379 A CA 2.237 54.134 52.037 -0.233 0.000 0.631 379 A CB -0.658 18.234 19.000 -0.179 0.000 0.822 379 A HN 0.576 nan 8.150 nan 0.000 0.447 380 M N -0.326 119.134 119.600 -0.233 0.000 2.143 380 M HA -0.177 4.306 4.480 0.004 0.000 0.258 380 M C 1.655 177.900 176.300 -0.092 0.000 1.071 380 M CA 2.126 57.318 55.300 -0.180 0.000 1.088 380 M CB -0.221 32.224 32.600 -0.258 0.000 1.360 380 M HN 0.677 nan 8.290 nan 0.000 0.404 381 T N -4.248 110.245 114.554 -0.101 0.000 3.132 381 T HA 0.179 4.531 4.350 0.004 0.000 0.274 381 T C 0.289 174.970 174.700 -0.032 0.000 1.011 381 T CA -0.401 61.691 62.100 -0.013 0.000 0.899 381 T CB -0.309 68.599 68.868 0.067 0.000 1.089 381 T HN 0.050 nan 8.240 nan 0.000 0.543 382 T N 3.619 118.110 114.554 -0.105 0.000 2.779 382 T HA 0.449 4.801 4.350 0.004 0.000 0.296 382 T C -0.141 174.479 174.700 -0.133 0.000 0.938 382 T CA -0.262 61.703 62.100 -0.226 0.000 1.119 382 T CB 0.361 68.952 68.868 -0.461 0.000 0.891 382 T HN 0.211 nan 8.240 nan 0.000 0.526 383 R N 2.706 123.094 120.500 -0.187 0.000 2.607 383 R HA 0.255 4.597 4.340 0.004 0.000 0.278 383 R C -1.189 175.033 176.300 -0.130 0.000 1.637 383 R CA -0.461 55.549 56.100 -0.150 0.000 1.325 383 R CB 0.417 30.657 30.300 -0.101 0.000 1.211 383 R HN 0.654 nan 8.270 nan 0.000 0.565 384 Y N 1.198 121.527 120.300 0.048 0.000 2.496 384 Y HA 0.159 4.712 4.550 0.004 0.000 0.334 384 Y C 0.633 176.563 175.900 0.051 0.000 1.080 384 Y CA -0.475 57.691 58.100 0.110 0.000 1.355 384 Y CB 0.937 39.481 38.460 0.140 0.000 1.193 384 Y HN 0.119 nan 8.280 nan 0.000 0.523 385 V N 4.556 124.636 119.914 0.277 0.000 2.257 385 V HA 0.040 4.163 4.120 0.004 0.000 0.269 385 V C 0.283 176.538 176.094 0.267 0.000 1.040 385 V CA -0.670 61.748 62.300 0.197 0.000 0.813 385 V CB 0.807 32.725 31.823 0.157 0.000 1.065 385 V HN 0.852 nan 8.190 nan 0.000 0.457 386 D N 4.055 124.613 120.400 0.263 0.000 2.310 386 D HA -0.084 4.559 4.640 0.004 0.000 0.212 386 D C 2.073 178.533 176.300 0.266 0.000 0.965 386 D CA 1.380 55.562 54.000 0.304 0.000 0.879 386 D CB 0.349 41.275 40.800 0.210 0.000 0.921 386 D HN 0.690 nan 8.370 nan 0.000 0.510 387 G N 0.690 109.586 108.800 0.159 0.000 2.443 387 G HA2 -0.168 3.794 3.960 0.004 0.000 0.219 387 G HA3 -0.168 3.794 3.960 0.004 0.000 0.219 387 G C 1.668 176.647 174.900 0.130 0.000 1.131 387 G CA 0.756 45.944 45.100 0.148 0.000 0.775 387 G HN 0.357 nan 8.290 nan 0.000 0.547 388 G N -0.165 108.648 108.800 0.021 0.000 2.535 388 G HA2 -0.011 3.951 3.960 0.004 0.000 0.218 388 G HA3 -0.011 3.951 3.960 0.004 0.000 0.218 388 G C 1.318 176.048 174.900 -0.283 0.000 1.122 388 G CA 0.560 45.541 45.100 -0.198 0.000 0.769 388 G HN 0.428 nan 8.290 nan 0.000 0.549 389 F N 0.033 120.080 119.950 0.162 0.000 2.399 389 F HA 0.434 4.964 4.527 0.004 0.000 0.282 389 F C 1.489 177.559 175.800 0.450 0.000 1.027 389 F CA 0.777 58.904 58.000 0.212 0.000 1.333 389 F CB 0.208 39.078 39.000 -0.217 0.000 1.132 389 F HN 0.254 nan 8.300 nan 0.000 0.590 390 G N 0.436 109.550 108.800 0.524 0.000 3.393 390 G HA2 -0.065 3.897 3.960 0.004 0.000 0.676 390 G HA3 -0.065 3.897 3.960 0.004 0.000 0.676 390 G C -0.157 174.917 174.900 0.291 0.000 1.224 390 G CA -0.666 44.707 45.100 0.454 0.000 1.109 390 G HN 0.011 nan 8.290 nan 0.000 0.519 391 M N 2.044 121.719 119.600 0.124 0.000 2.296 391 M HA 0.119 4.601 4.480 0.004 0.000 0.265 391 M C 2.496 178.771 176.300 -0.042 0.000 1.064 391 M CA 2.676 58.012 55.300 0.061 0.000 1.109 391 M CB -0.272 32.251 32.600 -0.128 0.000 1.396 391 M HN 0.794 nan 8.290 nan 0.000 0.430 392 G N -0.614 108.092 108.800 -0.157 0.000 2.424 392 G HA2 -0.193 3.769 3.960 0.004 0.000 0.214 392 G HA3 -0.193 3.769 3.960 0.004 0.000 0.214 392 G C 1.561 176.309 174.900 -0.253 0.000 1.202 392 G CA 0.655 45.501 45.100 -0.424 0.000 0.793 392 G HN 0.403 nan 8.290 nan 0.000 0.534 393 K N -0.565 119.823 120.400 -0.020 0.000 2.089 393 K HA -0.162 4.160 4.320 0.004 0.000 0.210 393 K C 1.433 177.976 176.600 -0.097 0.000 1.048 393 K CA 1.381 57.647 56.287 -0.035 0.000 0.926 393 K CB -0.292 32.250 32.500 0.070 0.000 0.714 393 K HN 0.490 nan 8.250 nan 0.000 0.448 394 Y N 0.479 120.780 120.300 0.002 0.000 2.625 394 Y HA 0.128 4.680 4.550 0.004 0.000 0.285 394 Y C 0.265 176.168 175.900 0.005 0.000 1.168 394 Y CA -0.564 57.562 58.100 0.044 0.000 1.250 394 Y CB 0.661 39.184 38.460 0.104 0.000 1.130 394 Y HN -0.126 nan 8.280 nan 0.000 0.526 395 T N 1.444 116.006 114.554 0.013 0.000 2.940 395 T HA 0.168 4.521 4.350 0.004 0.000 0.309 395 T C 0.473 175.155 174.700 -0.029 0.000 1.056 395 T CA 0.277 62.337 62.100 -0.066 0.000 1.137 395 T CB 0.416 69.099 68.868 -0.309 0.000 0.976 395 T HN 0.342 nan 8.240 nan 0.000 0.547 396 T N 2.070 116.612 114.554 -0.020 0.000 2.907 396 T HA 0.613 4.965 4.350 0.004 0.000 0.292 396 T C -3.021 171.645 174.700 -0.056 0.000 1.043 396 T CA -2.382 59.708 62.100 -0.016 0.000 1.003 396 T CB 1.490 70.375 68.868 0.028 0.000 1.084 396 T HN 0.150 nan 8.240 nan 0.000 0.483 397 P HA 0.237 nan 4.420 nan 0.000 0.266 397 P C -0.699 176.533 177.300 -0.113 0.000 1.195 397 P CA -0.316 62.680 63.100 -0.172 0.000 0.768 397 P CB 0.275 31.739 31.700 -0.393 0.000 0.838 398 L N 2.260 123.442 121.223 -0.068 0.000 2.292 398 L HA 0.264 4.606 4.340 0.004 0.000 0.284 398 L C 0.737 177.572 176.870 -0.058 0.000 1.065 398 L CA -0.220 54.631 54.840 0.018 0.000 0.806 398 L CB 0.474 42.638 42.059 0.174 0.000 1.175 398 L HN 0.253 nan 8.230 nan 0.000 0.431 399 T N 3.643 118.231 114.554 0.056 0.000 2.727 399 T HA 0.127 4.480 4.350 0.004 0.000 0.295 399 T C 0.403 175.155 174.700 0.087 0.000 0.915 399 T CA -0.301 61.883 62.100 0.139 0.000 1.066 399 T CB 0.119 69.138 68.868 0.252 0.000 0.891 399 T HN 0.434 nan 8.240 nan 0.000 0.516 400 R N 2.493 122.936 120.500 -0.096 0.000 2.504 400 R HA 0.223 4.566 4.340 0.004 0.000 0.291 400 R C 1.379 177.804 176.300 0.208 0.000 0.974 400 R CA 1.417 57.434 56.100 -0.138 0.000 1.077 400 R CB -0.331 29.619 30.300 -0.583 0.000 0.926 400 R HN 0.987 nan 8.270 nan 0.000 0.407 401 G N 2.066 110.987 108.800 0.201 0.000 2.176 401 G HA2 -0.273 3.690 3.960 0.004 0.000 0.253 401 G HA3 -0.273 3.690 3.960 0.004 0.000 0.253 401 G C 0.280 175.266 174.900 0.143 0.000 0.979 401 G CA 0.212 45.472 45.100 0.268 0.000 0.641 401 G HN 0.511 nan 8.290 nan 0.000 0.530 402 V N -0.489 119.493 119.914 0.113 0.000 3.102 402 V HA 0.172 4.295 4.120 0.004 0.000 0.225 402 V C 2.031 178.142 176.094 0.029 0.000 1.301 402 V CA 1.437 63.771 62.300 0.057 0.000 1.308 402 V CB 0.107 31.967 31.823 0.061 0.000 1.129 402 V HN 0.156 nan 8.190 nan 0.000 0.502 403 D N -0.225 120.210 120.400 0.059 0.000 2.162 403 D HA 0.042 4.684 4.640 0.004 0.000 0.203 403 D C 0.509 176.826 176.300 0.027 0.000 0.967 403 D CA 1.039 55.066 54.000 0.045 0.000 0.840 403 D CB 0.259 41.107 40.800 0.081 0.000 0.972 403 D HN 0.406 nan 8.370 nan 0.000 0.482 404 c N -0.434 118.186 118.600 0.033 0.000 3.154 404 c HA 0.449 5.021 4.570 0.004 0.000 0.312 404 c C -2.413 171.556 174.090 -0.201 0.000 1.349 404 c CA -1.645 54.583 56.329 -0.168 0.000 1.518 404 c CB 1.793 44.208 42.510 -0.159 0.000 1.934 404 c HN 0.021 nan 8.230 nan 0.000 0.462 405 P HA 0.047 nan 4.420 nan 0.000 0.269 405 P C 0.139 177.431 177.300 -0.015 0.000 1.215 405 P CA 0.179 63.133 63.100 -0.243 0.000 0.780 405 P CB 0.276 31.748 31.700 -0.380 0.000 0.898 406 Y N 2.014 122.314 120.300 0.001 0.000 2.193 406 Y HA -0.164 4.388 4.550 0.003 0.000 0.285 406 Y C 1.539 177.522 175.900 0.139 0.000 1.166 406 Y CA 1.695 59.858 58.100 0.104 0.000 1.181 406 Y CB -0.246 38.259 38.460 0.075 0.000 0.976 406 Y HN 0.217 nan 8.280 nan 0.000 0.520 407 L N 0.203 121.541 121.223 0.191 0.000 2.685 407 L HA 0.273 4.616 4.340 0.004 0.000 0.233 407 L C 0.981 177.923 176.870 0.120 0.000 1.173 407 L CA -0.311 54.608 54.840 0.130 0.000 0.961 407 L CB -0.659 41.397 42.059 -0.004 0.000 1.217 407 L HN 0.148 nan 8.230 nan 0.000 0.478 408 A N -0.204 122.641 122.820 0.043 0.000 2.386 408 A HA 0.329 4.651 4.320 0.004 0.000 0.246 408 A C 0.363 177.910 177.584 -0.062 0.000 1.089 408 A CA 0.060 52.093 52.037 -0.007 0.000 0.790 408 A CB 0.141 18.919 19.000 -0.371 0.000 1.042 408 A HN 0.180 nan 8.150 nan 0.000 0.497 409 T N 1.587 116.184 114.554 0.071 0.000 2.780 409 T HA 0.458 4.810 4.350 0.004 0.000 0.294 409 T C -0.906 173.728 174.700 -0.110 0.000 0.949 409 T CA 0.643 62.793 62.100 0.083 0.000 1.074 409 T CB -0.135 68.878 68.868 0.242 0.000 0.910 409 T HN 0.363 nan 8.240 nan 0.000 0.501 410 Y N 1.518 121.900 120.300 0.136 0.000 2.387 410 Y HA 0.599 5.151 4.550 0.004 0.000 0.336 410 Y C 0.071 176.064 175.900 0.155 0.000 1.067 410 Y CA -0.899 57.273 58.100 0.120 0.000 1.114 410 Y CB 1.491 39.971 38.460 0.033 0.000 1.208 410 Y HN 0.290 nan 8.280 nan 0.000 0.458 411 V N 2.967 123.104 119.914 0.372 0.000 2.760 411 V HA 0.271 4.393 4.120 0.004 0.000 0.309 411 V C -0.800 175.541 176.094 0.411 0.000 1.077 411 V CA -1.183 61.342 62.300 0.375 0.000 0.910 411 V CB 1.909 33.993 31.823 0.435 0.000 1.008 411 V HN 0.668 nan 8.190 nan 0.000 0.424 412 D N 1.668 122.237 120.400 0.281 0.000 2.344 412 D HA 0.319 4.961 4.640 0.004 0.000 0.244 412 D C -0.792 175.647 176.300 0.231 0.000 1.134 412 D CA 0.084 54.189 54.000 0.175 0.000 0.930 412 D CB 1.199 42.016 40.800 0.027 0.000 1.175 412 D HN 0.565 nan 8.370 nan 0.000 0.437 413 W N 1.449 122.696 121.300 -0.089 0.000 2.785 413 W HA 0.268 4.930 4.660 0.004 0.000 0.333 413 W C -0.955 175.451 176.519 -0.188 0.000 1.062 413 W CA -0.470 56.856 57.345 -0.032 0.000 1.233 413 W CB 0.854 30.419 29.460 0.175 0.000 1.413 413 W HN 0.259 nan 8.180 nan 0.000 0.489 414 H N 6.056 124.914 119.070 -0.354 0.000 2.472 414 H HA 0.601 5.160 4.556 0.004 0.000 0.338 414 H C -0.772 174.019 175.328 -0.896 0.000 1.133 414 H CA -0.526 55.227 56.048 -0.493 0.000 1.216 414 H CB 1.535 31.121 29.762 -0.294 0.000 1.497 414 H HN 0.422 nan 8.280 nan 0.000 0.500 415 F N 0.547 120.097 119.950 -0.666 0.000 2.668 415 F HA 0.469 4.998 4.527 0.004 0.000 0.309 415 F C -2.000 173.607 175.800 -0.322 0.000 1.117 415 F CA -1.297 56.290 58.000 -0.689 0.000 0.951 415 F CB 1.345 39.755 39.000 -0.982 0.000 1.323 415 F HN 0.255 nan 8.300 nan 0.000 0.451 416 L N 4.069 125.229 121.223 -0.105 0.000 2.442 416 L HA 0.665 5.008 4.340 0.004 0.000 0.261 416 L C -1.937 174.949 176.870 0.027 0.000 1.000 416 L CA -0.832 53.956 54.840 -0.086 0.000 0.882 416 L CB 1.099 43.095 42.059 -0.104 0.000 1.207 416 L HN 0.744 nan 8.230 nan 0.000 0.443 417 L N 4.371 125.678 121.223 0.141 0.000 2.441 417 L HA 0.464 4.806 4.340 0.004 0.000 0.270 417 L C 0.267 177.168 176.870 0.052 0.000 0.973 417 L CA -0.696 54.160 54.840 0.027 0.000 0.842 417 L CB 1.868 43.953 42.059 0.043 0.000 1.239 417 L HN 0.540 nan 8.230 nan 0.000 0.406 418 E N 1.341 121.494 120.200 -0.078 0.000 2.360 418 E HA -0.226 4.126 4.350 0.004 0.000 0.238 418 E C -0.310 176.366 176.600 0.126 0.000 1.186 418 E CA 0.903 57.335 56.400 0.053 0.000 0.719 418 E CB -0.680 29.128 29.700 0.181 0.000 1.236 418 E HN 0.714 nan 8.360 nan 0.000 0.386 419 S N -2.025 113.713 115.700 0.063 0.000 2.643 419 S HA 0.358 4.830 4.470 0.004 0.000 0.270 419 S C 0.349 174.958 174.600 0.014 0.000 1.166 419 S CA -1.028 57.204 58.200 0.053 0.000 0.815 419 S CB 1.800 65.029 63.200 0.048 0.000 1.139 419 S HN -0.025 nan 8.310 nan 0.000 0.472 420 Q N -0.046 119.759 119.800 0.008 0.000 2.398 420 Q HA 0.422 4.765 4.340 0.004 0.000 0.204 420 Q C 0.538 176.521 176.000 -0.028 0.000 0.932 420 Q CA 1.000 56.801 55.803 -0.004 0.000 0.916 420 Q CB 0.594 29.335 28.738 0.004 0.000 1.024 420 Q HN 0.856 nan 8.270 nan 0.000 0.504 421 A N 1.848 124.637 122.820 -0.050 0.000 2.449 421 A HA 0.618 4.940 4.320 0.004 0.000 0.302 421 A C -2.618 174.875 177.584 -0.152 0.000 1.048 421 A CA -1.513 50.473 52.037 -0.085 0.000 0.708 421 A CB 1.486 20.443 19.000 -0.071 0.000 1.274 421 A HN -0.159 nan 8.150 nan 0.000 0.410 422 P HA 0.329 nan 4.420 nan 0.000 0.272 422 P C -0.790 176.270 177.300 -0.400 0.000 1.223 422 P CA 0.190 63.096 63.100 -0.323 0.000 0.784 422 P CB 0.822 32.357 31.700 -0.274 0.000 0.923 423 K N 0.271 120.228 120.400 -0.739 0.000 2.378 423 K HA 0.661 4.983 4.320 0.004 0.000 0.244 423 K C -0.420 175.750 176.600 -0.717 0.000 1.039 423 K CA -0.708 55.171 56.287 -0.679 0.000 0.863 423 K CB 1.625 33.725 32.500 -0.668 0.000 1.326 423 K HN 0.301 nan 8.250 nan 0.000 0.460 424 T N 0.925 115.332 114.554 -0.246 0.000 2.876 424 T HA 0.492 4.845 4.350 0.004 0.000 0.289 424 T C -0.560 174.270 174.700 0.216 0.000 1.014 424 T CA -0.636 61.472 62.100 0.014 0.000 0.986 424 T CB 0.853 69.779 68.868 0.097 0.000 1.021 424 T HN 0.305 nan 8.240 nan 0.000 0.458 425 I N 3.209 123.973 120.570 0.322 0.000 2.307 425 I HA 0.328 4.500 4.170 0.004 0.000 0.289 425 I C 0.680 176.870 176.117 0.121 0.000 1.021 425 I CA -0.719 60.732 61.300 0.252 0.000 1.224 425 I CB 0.778 38.962 38.000 0.306 0.000 1.376 425 I HN 0.304 nan 8.210 nan 0.000 0.470 426 R N 5.187 125.704 120.500 0.029 0.000 2.543 426 R HA 0.121 4.463 4.340 0.004 0.000 0.277 426 R C -0.375 175.905 176.300 -0.034 0.000 1.074 426 R CA -0.374 55.719 56.100 -0.012 0.000 1.076 426 R CB 0.288 30.544 30.300 -0.075 0.000 0.993 426 R HN 0.584 nan 8.270 nan 0.000 0.459 427 D N 0.798 121.216 120.400 0.030 0.000 2.723 427 D HA -0.201 4.441 4.640 0.004 0.000 0.236 427 D C 0.790 177.147 176.300 0.095 0.000 1.138 427 D CA 1.256 55.302 54.000 0.077 0.000 0.676 427 D CB -1.040 39.683 40.800 -0.128 0.000 1.069 427 D HN 0.751 nan 8.370 nan 0.000 0.430 428 A N -1.077 121.802 122.820 0.099 0.000 1.929 428 A HA 0.146 4.469 4.320 0.004 0.000 0.216 428 A C 0.735 178.157 177.584 -0.271 0.000 1.176 428 A CA 0.843 52.812 52.037 -0.112 0.000 0.628 428 A CB 0.137 19.041 19.000 -0.160 0.000 0.816 428 A HN 0.224 nan 8.150 nan 0.000 0.444 429 F N -1.348 118.691 119.950 0.149 0.000 2.538 429 F HA 0.527 5.057 4.527 0.004 0.000 0.325 429 F C 0.290 176.127 175.800 0.061 0.000 1.066 429 F CA -1.163 56.887 58.000 0.082 0.000 0.946 429 F CB 1.527 40.553 39.000 0.042 0.000 1.199 429 F HN 0.231 nan 8.300 nan 0.000 0.473 430 c N 1.078 119.779 118.600 0.170 0.000 2.498 430 c HA 0.965 5.538 4.570 0.004 0.000 0.316 430 c C -1.008 173.091 174.090 0.016 0.000 1.209 430 c CA -0.914 55.398 56.329 -0.028 0.000 1.518 430 c CB 0.602 42.989 42.510 -0.204 0.000 2.147 430 c HN 0.643 nan 8.230 nan 0.000 0.483 431 V N 3.947 123.859 119.914 -0.005 0.000 2.604 431 V HA 0.897 5.019 4.120 0.004 0.000 0.305 431 V C -0.322 175.849 176.094 0.128 0.000 1.043 431 V CA -0.201 62.040 62.300 -0.098 0.000 0.888 431 V CB 1.276 32.998 31.823 -0.168 0.000 0.995 431 V HN 1.068 nan 8.190 nan 0.000 0.429 432 F N 0.363 120.164 119.950 -0.247 0.000 2.703 432 F HA 0.664 5.193 4.527 0.003 0.000 0.308 432 F C -0.800 174.947 175.800 -0.089 0.000 1.126 432 F CA -0.995 57.015 58.000 0.016 0.000 0.959 432 F CB 1.300 40.379 39.000 0.132 0.000 1.297 432 F HN 0.391 nan 8.300 nan 0.000 0.441 433 E N 1.080 121.480 120.200 0.334 0.000 2.277 433 E HA 0.403 4.755 4.350 0.004 0.000 0.274 433 E C -1.373 175.486 176.600 0.433 0.000 1.022 433 E CA -0.814 55.719 56.400 0.222 0.000 0.853 433 E CB 1.840 31.688 29.700 0.247 0.000 1.086 433 E HN 0.590 nan 8.360 nan 0.000 0.397 434 Q N 2.669 122.619 119.800 0.250 0.000 2.275 434 Q HA 0.147 4.489 4.340 0.004 0.000 0.266 434 Q C -1.299 174.803 176.000 0.171 0.000 1.002 434 Q CA -0.632 55.337 55.803 0.276 0.000 0.761 434 Q CB 1.072 29.997 28.738 0.311 0.000 1.255 434 Q HN 0.331 nan 8.270 nan 0.000 0.446 435 N N 3.356 122.153 118.700 0.162 0.000 2.416 435 N HA -0.013 4.730 4.740 0.004 0.000 0.265 435 N C 0.172 175.747 175.510 0.108 0.000 1.195 435 N CA 0.347 53.469 53.050 0.121 0.000 0.943 435 N CB 0.977 39.525 38.487 0.101 0.000 1.115 435 N HN 0.678 nan 8.380 nan 0.000 0.481 436 Q N 2.816 122.677 119.800 0.103 0.000 2.291 436 Q HA -0.013 4.329 4.340 0.004 0.000 0.205 436 Q C 1.021 177.073 176.000 0.086 0.000 0.970 436 Q CA 0.996 56.858 55.803 0.097 0.000 0.876 436 Q CB -0.087 28.715 28.738 0.108 0.000 0.935 436 Q HN 0.916 nan 8.270 nan 0.000 0.455 437 G N 0.823 109.673 108.800 0.084 0.000 2.148 437 G HA2 -0.264 3.698 3.960 0.004 0.000 0.254 437 G HA3 -0.264 3.698 3.960 0.004 0.000 0.254 437 G C -0.287 174.657 174.900 0.073 0.000 0.981 437 G CA 0.543 45.686 45.100 0.072 0.000 0.670 437 G HN 0.299 nan 8.290 nan 0.000 0.528 438 L N 0.981 122.255 121.223 0.085 0.000 2.388 438 L HA 0.844 5.186 4.340 0.004 0.000 0.264 438 L C -2.205 174.725 176.870 0.099 0.000 0.998 438 L CA -2.368 52.524 54.840 0.086 0.000 0.817 438 L CB 2.069 44.179 42.059 0.085 0.000 1.338 438 L HN -0.081 nan 8.230 nan 0.000 0.414 439 P HA 0.097 nan 4.420 nan 0.000 0.279 439 P C 0.287 177.646 177.300 0.098 0.000 1.239 439 P CA -0.354 62.813 63.100 0.112 0.000 0.789 439 P CB 1.332 33.105 31.700 0.122 0.000 0.933 440 L N 2.906 124.191 121.223 0.103 0.000 2.109 440 L HA 0.019 4.362 4.340 0.004 0.000 0.207 440 L C 0.913 177.822 176.870 0.065 0.000 1.086 440 L CA 1.696 56.594 54.840 0.096 0.000 0.760 440 L CB -0.254 41.874 42.059 0.114 0.000 0.910 440 L HN 0.519 nan 8.230 nan 0.000 0.437 441 R N -1.027 119.509 120.500 0.061 0.000 2.663 441 R HA 0.605 4.947 4.340 0.004 0.000 0.267 441 R C -1.068 175.245 176.300 0.023 0.000 1.038 441 R CA -0.905 55.217 56.100 0.035 0.000 0.886 441 R CB 1.138 31.453 30.300 0.025 0.000 1.249 441 R HN -0.019 nan 8.270 nan 0.000 0.463 442 R N 1.777 122.278 120.500 0.002 0.000 2.579 442 R HA 0.279 4.621 4.340 0.004 0.000 0.260 442 R C -2.092 174.192 176.300 -0.026 0.000 1.103 442 R CA -0.771 55.291 56.100 -0.065 0.000 0.942 442 R CB 1.998 32.330 30.300 0.054 0.000 1.251 442 R HN 0.914 nan 8.270 nan 0.000 0.450 443 H N 2.120 121.003 119.070 -0.312 0.000 3.018 443 H HA 0.309 4.867 4.556 0.004 0.000 0.334 443 H C -1.724 173.456 175.328 -0.245 0.000 0.983 443 H CA -0.388 55.548 56.048 -0.187 0.000 1.363 443 H CB 0.981 30.695 29.762 -0.079 0.000 1.668 443 H HN 0.681 nan 8.280 nan 0.000 0.513 444 H N 3.040 121.748 119.070 -0.603 0.000 2.519 444 H HA 0.461 5.019 4.556 0.004 0.000 0.316 444 H C -0.815 174.003 175.328 -0.850 0.000 1.065 444 H CA -0.273 55.507 56.048 -0.448 0.000 1.264 444 H CB 0.954 30.661 29.762 -0.092 0.000 1.413 444 H HN 0.447 nan 8.280 nan 0.000 0.465 445 S N 3.623 118.609 115.700 -1.189 0.000 2.456 445 S HA 0.171 4.643 4.470 0.004 0.000 0.316 445 S C -0.172 173.977 174.600 -0.750 0.000 1.089 445 S CA -0.769 56.881 58.200 -0.917 0.000 1.101 445 S CB 0.622 63.116 63.200 -1.176 0.000 0.995 445 S HN 0.814 nan 8.310 nan 0.000 0.468 446 D N 3.186 123.301 120.400 -0.476 0.000 2.398 446 D HA 0.174 4.816 4.640 0.004 0.000 0.210 446 D C -0.504 175.573 176.300 -0.372 0.000 1.094 446 D CA 0.053 53.727 54.000 -0.543 0.000 0.839 446 D CB 0.476 41.108 40.800 -0.279 0.000 0.963 446 D HN 0.364 nan 8.370 nan 0.000 0.506 447 L N 0.476 121.560 121.223 -0.232 0.000 2.294 447 L HA 0.209 4.551 4.340 0.004 0.000 0.283 447 L C 0.039 176.856 176.870 -0.088 0.000 1.015 447 L CA -0.231 54.445 54.840 -0.273 0.000 0.831 447 L CB 0.152 42.003 42.059 -0.347 0.000 1.217 447 L HN 0.115 nan 8.230 nan 0.000 0.420 448 Y N 1.062 121.462 120.300 0.167 0.000 2.802 448 Y HA -0.376 4.177 4.550 0.004 0.000 0.485 448 Y C 0.897 176.892 175.900 0.160 0.000 1.190 448 Y CA 1.394 59.576 58.100 0.137 0.000 2.757 448 Y CB -1.384 37.136 38.460 0.101 0.000 0.919 448 Y HN 0.647 nan 8.280 nan 0.000 0.540 449 S N 0.390 116.329 115.700 0.399 0.000 2.557 449 S HA 0.490 4.962 4.470 0.004 0.000 0.291 449 S C -1.170 173.709 174.600 0.465 0.000 1.116 449 S CA -0.615 57.815 58.200 0.383 0.000 0.992 449 S CB 0.813 64.254 63.200 0.402 0.000 1.028 449 S HN 0.278 nan 8.310 nan 0.000 0.484 450 H N 4.361 123.513 119.070 0.136 0.000 2.597 450 H HA 0.491 5.050 4.556 0.004 0.000 0.303 450 H C -0.894 174.457 175.328 0.039 0.000 1.057 450 H CA -0.553 55.477 56.048 -0.029 0.000 1.261 450 H CB 0.616 30.365 29.762 -0.022 0.000 1.397 450 H HN 0.708 nan 8.280 nan 0.000 0.461 451 Y N 1.645 121.904 120.300 -0.067 0.000 2.689 451 Y HA 0.495 5.047 4.550 0.004 0.000 0.333 451 Y C -2.170 173.547 175.900 -0.306 0.000 1.208 451 Y CA -1.699 56.291 58.100 -0.183 0.000 1.055 451 Y CB 1.337 39.766 38.460 -0.052 0.000 1.304 451 Y HN 0.383 nan 8.280 nan 0.000 0.455 452 F N 0.848 120.462 119.950 -0.559 0.000 2.565 452 F HA 0.902 5.431 4.527 0.003 0.000 0.313 452 F C -0.657 174.970 175.800 -0.288 0.000 1.091 452 F CA -0.835 56.831 58.000 -0.556 0.000 0.915 452 F CB 2.487 40.988 39.000 -0.831 0.000 1.208 452 F HN 0.947 nan 8.300 nan 0.000 0.453 453 G N 2.457 110.752 108.800 -0.843 0.000 2.739 453 G HA2 0.600 4.562 3.960 0.004 0.000 0.291 453 G HA3 0.600 4.562 3.960 0.004 0.000 0.291 453 G C -1.263 173.254 174.900 -0.640 0.000 1.478 453 G CA -0.349 44.519 45.100 -0.386 0.000 1.062 453 G HN 1.132 nan 8.290 nan 0.000 0.532 454 G N -0.440 108.166 108.800 -0.324 0.000 2.600 454 G HA2 0.760 4.722 3.960 0.004 0.000 0.293 454 G HA3 0.760 4.722 3.960 0.004 0.000 0.293 454 G C -2.232 172.725 174.900 0.095 0.000 1.408 454 G CA -0.767 44.262 45.100 -0.117 0.000 0.782 454 G HN 1.463 nan 8.290 nan 0.000 0.482 455 L N -0.017 121.278 121.223 0.120 0.000 2.588 455 L HA 0.794 5.136 4.340 0.004 0.000 0.263 455 L C 0.067 177.018 176.870 0.135 0.000 0.935 455 L CA -0.442 54.475 54.840 0.128 0.000 0.891 455 L CB 1.358 43.474 42.059 0.096 0.000 1.318 455 L HN 1.351 nan 8.230 nan 0.000 0.409 456 A N 3.449 126.353 122.820 0.140 0.000 2.462 456 A HA 0.418 4.741 4.320 0.004 0.000 0.243 456 A C 0.044 177.701 177.584 0.122 0.000 1.076 456 A CA -0.128 51.985 52.037 0.127 0.000 0.773 456 A CB 0.160 19.230 19.000 0.117 0.000 1.010 456 A HN 0.790 nan 8.150 nan 0.000 0.493 457 E N 1.410 121.683 120.200 0.123 0.000 2.194 457 E HA 0.345 4.697 4.350 0.004 0.000 0.284 457 E C -0.809 175.865 176.600 0.123 0.000 1.035 457 E CA -0.171 56.310 56.400 0.135 0.000 0.836 457 E CB 0.554 30.348 29.700 0.157 0.000 1.070 457 E HN 0.578 nan 8.360 nan 0.000 0.401 458 T N 3.712 118.341 114.554 0.123 0.000 2.823 458 T HA 0.425 4.778 4.350 0.004 0.000 0.279 458 T C -0.440 174.312 174.700 0.087 0.000 0.998 458 T CA -0.703 61.462 62.100 0.109 0.000 0.994 458 T CB 1.290 70.228 68.868 0.116 0.000 0.960 458 T HN 0.407 nan 8.240 nan 0.000 0.448 459 V N 1.430 121.355 119.914 0.019 0.000 3.046 459 V HA 0.895 5.017 4.120 0.004 0.000 0.316 459 V C -1.031 174.986 176.094 -0.128 0.000 1.104 459 V CA -1.257 60.986 62.300 -0.095 0.000 1.006 459 V CB 1.812 33.460 31.823 -0.291 0.000 1.058 459 V HN 0.696 nan 8.190 nan 0.000 0.440 460 L N 2.657 123.775 121.223 -0.174 0.000 2.341 460 L HA 0.859 5.201 4.340 0.004 0.000 0.278 460 L C -0.820 175.848 176.870 -0.337 0.000 1.005 460 L CA -0.152 54.523 54.840 -0.274 0.000 0.818 460 L CB 1.763 43.712 42.059 -0.185 0.000 1.259 460 L HN 0.676 nan 8.230 nan 0.000 0.418 461 V N 5.423 124.959 119.914 -0.629 0.000 2.588 461 V HA 0.561 4.684 4.120 0.004 0.000 0.304 461 V C -0.661 175.109 176.094 -0.539 0.000 1.042 461 V CA -0.717 61.172 62.300 -0.686 0.000 0.877 461 V CB 1.996 33.110 31.823 -1.182 0.000 0.996 461 V HN 0.505 nan 8.190 nan 0.000 0.425 462 V N 5.302 125.046 119.914 -0.282 0.000 2.417 462 V HA 0.651 4.773 4.120 0.004 0.000 0.291 462 V C -0.043 176.012 176.094 -0.066 0.000 1.024 462 V CA -0.607 61.590 62.300 -0.172 0.000 0.861 462 V CB 1.622 33.367 31.823 -0.130 0.000 0.985 462 V HN 0.910 nan 8.190 nan 0.000 0.436 463 R N 2.828 123.354 120.500 0.044 0.000 2.673 463 R HA 0.772 5.115 4.340 0.004 0.000 0.281 463 R C -1.106 175.282 176.300 0.145 0.000 0.991 463 R CA -0.195 55.981 56.100 0.125 0.000 0.896 463 R CB 2.258 32.664 30.300 0.176 0.000 1.201 463 R HN 0.719 nan 8.270 nan 0.000 0.457 464 S N 2.843 118.635 115.700 0.154 0.000 2.588 464 S HA 0.664 5.137 4.470 0.004 0.000 0.275 464 S C -1.362 173.328 174.600 0.150 0.000 1.130 464 S CA -0.721 57.522 58.200 0.071 0.000 0.855 464 S CB 1.534 64.741 63.200 0.012 0.000 1.116 464 S HN 0.570 nan 8.310 nan 0.000 0.472 465 M N 2.651 122.296 119.600 0.076 0.000 2.267 465 M HA 0.387 4.869 4.480 0.004 0.000 0.289 465 M C -1.192 175.175 176.300 0.111 0.000 1.043 465 M CA -0.550 54.792 55.300 0.070 0.000 0.928 465 M CB 2.308 34.919 32.600 0.018 0.000 1.613 465 M HN 0.631 nan 8.290 nan 0.000 0.450 466 S N 1.112 116.939 115.700 0.212 0.000 2.454 466 S HA 0.677 5.149 4.470 0.004 0.000 0.306 466 S C -0.485 174.224 174.600 0.181 0.000 1.100 466 S CA -0.812 57.540 58.200 0.252 0.000 1.087 466 S CB 1.455 64.898 63.200 0.405 0.000 1.019 466 S HN 0.612 nan 8.310 nan 0.000 0.480 467 T N 3.635 118.282 114.554 0.154 0.000 2.801 467 T HA 0.456 4.809 4.350 0.004 0.000 0.306 467 T C -0.611 174.157 174.700 0.114 0.000 1.020 467 T CA -0.410 61.742 62.100 0.086 0.000 0.948 467 T CB -0.081 68.849 68.868 0.102 0.000 0.962 467 T HN 0.460 nan 8.240 nan 0.000 0.465 468 L N 5.610 126.793 121.223 -0.067 0.000 2.301 468 L HA 0.482 4.824 4.340 0.004 0.000 0.278 468 L C 0.648 177.305 176.870 -0.355 0.000 1.022 468 L CA -0.286 54.388 54.840 -0.276 0.000 0.854 468 L CB 0.240 42.092 42.059 -0.345 0.000 1.226 468 L HN 0.684 nan 8.230 nan 0.000 0.429 469 L N 0.488 121.575 121.223 -0.226 0.000 5.323 469 L HA -0.407 3.935 4.340 0.004 0.000 0.053 469 L C 0.872 177.512 176.870 -0.383 0.000 3.097 469 L CA 1.466 56.199 54.840 -0.180 0.000 1.447 469 L CB -1.065 40.815 42.059 -0.298 0.000 2.992 469 L HN 0.896 nan 8.230 nan 0.000 0.968 473 Y N 0.782 120.956 120.300 -0.211 0.000 2.359 473 Y HA 0.440 4.992 4.550 0.004 0.000 0.334 473 Y C 0.522 176.026 175.900 -0.660 0.000 1.058 473 Y CA -0.693 57.092 58.100 -0.525 0.000 1.244 473 Y CB 0.915 38.893 38.460 -0.804 0.000 1.187 473 Y HN 0.108 nan 8.280 nan 0.000 0.510 474 V N 3.985 123.694 119.914 -0.341 0.000 2.350 474 V HA 0.148 4.271 4.120 0.004 0.000 0.276 474 V C -0.942 175.052 176.094 -0.167 0.000 1.028 474 V CA -1.112 61.079 62.300 -0.183 0.000 0.860 474 V CB 0.168 32.006 31.823 0.025 0.000 0.990 474 V HN 0.672 nan 8.190 nan 0.000 0.453 475 W N 2.982 124.405 121.300 0.205 0.000 2.278 475 W HA 0.572 5.234 4.660 0.004 0.000 0.317 475 W C -0.291 176.276 176.519 0.081 0.000 1.030 475 W CA -0.578 56.862 57.345 0.158 0.000 1.334 475 W CB 0.889 30.397 29.460 0.080 0.000 1.215 475 W HN 0.411 nan 8.180 nan 0.000 0.405 476 D N 1.904 122.442 120.400 0.230 0.000 2.217 476 D HA 0.423 5.065 4.640 0.004 0.000 0.243 476 D C -0.414 175.792 176.300 -0.157 0.000 1.054 476 D CA -0.289 53.735 54.000 0.041 0.000 0.838 476 D CB 1.771 42.605 40.800 0.057 0.000 1.162 476 D HN 0.048 nan 8.370 nan 0.000 0.472 477 T N 1.355 115.748 114.554 -0.268 0.000 2.792 477 T HA 0.510 4.863 4.350 0.004 0.000 0.280 477 T C -0.427 173.868 174.700 -0.675 0.000 0.990 477 T CA -0.605 61.164 62.100 -0.551 0.000 0.960 477 T CB 1.207 69.726 68.868 -0.582 0.000 0.939 477 T HN -0.012 nan 8.240 nan 0.000 0.439 478 V N 4.069 123.488 119.914 -0.824 0.000 2.487 478 V HA 0.564 4.686 4.120 0.004 0.000 0.298 478 V C -1.045 174.500 176.094 -0.915 0.000 1.028 478 V CA -0.961 60.916 62.300 -0.704 0.000 0.860 478 V CB 1.267 32.803 31.823 -0.478 0.000 0.991 478 V HN 0.809 nan 8.190 nan 0.000 0.427 479 F N 3.382 122.961 119.950 -0.618 0.000 2.402 479 F HA 0.536 5.065 4.527 0.005 0.000 0.355 479 F C 0.713 176.370 175.800 -0.238 0.000 1.123 479 F CA -0.442 57.114 58.000 -0.739 0.000 1.021 479 F CB 0.902 39.005 39.000 -1.495 0.000 1.160 479 F HN 0.473 nan 8.300 nan 0.000 0.451 480 H N 4.169 123.426 119.070 0.312 0.000 2.483 480 H HA 0.188 4.747 4.556 0.004 0.000 0.338 480 H C -1.641 174.072 175.328 0.641 0.000 1.152 480 H CA -1.689 54.597 56.048 0.396 0.000 1.264 480 H CB 1.778 31.701 29.762 0.269 0.000 1.510 480 H HN 0.316 nan 8.280 nan 0.000 0.530 481 P HA -0.095 nan 4.420 nan 0.000 0.237 481 P C 1.077 178.587 177.300 0.349 0.000 1.178 481 P CA 0.757 64.127 63.100 0.451 0.000 0.766 481 P CB 0.148 32.022 31.700 0.289 0.000 0.876 482 S N -1.616 114.249 115.700 0.275 0.000 2.603 482 S HA 0.282 4.754 4.470 0.004 0.000 0.220 482 S C 1.645 176.173 174.600 -0.121 0.000 0.967 482 S CA 0.509 58.758 58.200 0.081 0.000 0.920 482 S CB -1.166 62.077 63.200 0.071 0.000 0.773 482 S HN 0.284 nan 8.310 nan 0.000 0.529 483 G N 0.476 109.182 108.800 -0.157 0.000 2.157 483 G HA2 -0.080 3.882 3.960 0.004 0.000 0.248 483 G HA3 -0.080 3.882 3.960 0.004 0.000 0.248 483 G C 0.190 175.266 174.900 0.292 0.000 0.979 483 G CA -0.125 44.650 45.100 -0.542 0.000 0.650 483 G HN 1.243 nan 8.290 nan 0.000 0.529 484 A N -0.155 122.890 122.820 0.375 0.000 2.316 484 A HA 0.808 5.131 4.320 0.004 0.000 0.284 484 A C 0.288 178.086 177.584 0.357 0.000 1.115 484 A CA -0.218 52.032 52.037 0.354 0.000 0.812 484 A CB 0.567 19.663 19.000 0.159 0.000 1.064 484 A HN 0.767 nan 8.150 nan 0.000 0.489 485 I N 0.878 121.544 120.570 0.160 0.000 2.493 485 I HA 0.422 4.594 4.170 0.004 0.000 0.298 485 I C 0.064 175.989 176.117 -0.320 0.000 0.998 485 I CA -0.289 60.880 61.300 -0.219 0.000 1.137 485 I CB 1.893 39.681 38.000 -0.354 0.000 1.310 485 I HN 0.785 nan 8.210 nan 0.000 0.445 486 E N 5.913 125.775 120.200 -0.562 0.000 2.224 486 E HA 0.511 4.863 4.350 0.004 0.000 0.265 486 E C -1.647 174.420 176.600 -0.889 0.000 0.878 486 E CA -0.749 55.150 56.400 -0.835 0.000 0.759 486 E CB 1.965 31.163 29.700 -0.837 0.000 1.164 486 E HN 0.426 nan 8.360 nan 0.000 0.414 487 I N 4.060 123.951 120.570 -1.132 0.000 2.339 487 I HA 0.409 4.582 4.170 0.004 0.000 0.290 487 I C -0.028 175.569 176.117 -0.867 0.000 0.994 487 I CA -0.166 60.474 61.300 -1.099 0.000 1.191 487 I CB 1.457 38.460 38.000 -1.662 0.000 1.343 487 I HN 0.400 nan 8.210 nan 0.000 0.458 488 R N 5.701 125.901 120.500 -0.500 0.000 2.686 488 R HA 0.714 5.057 4.340 0.004 0.000 0.283 488 R C -1.579 174.662 176.300 -0.098 0.000 0.978 488 R CA -0.709 55.169 56.100 -0.371 0.000 0.897 488 R CB 1.972 32.054 30.300 -0.364 0.000 1.192 488 R HN 0.526 nan 8.270 nan 0.000 0.457 489 F N 1.418 121.200 119.950 -0.280 0.000 2.576 489 F HA 0.629 5.158 4.527 0.004 0.000 0.313 489 F C -1.994 173.551 175.800 -0.424 0.000 1.078 489 F CA -0.954 56.946 58.000 -0.166 0.000 0.921 489 F CB 1.221 40.323 39.000 0.170 0.000 1.232 489 F HN 0.367 nan 8.300 nan 0.000 0.459 490 Y N 1.915 122.163 120.300 -0.088 0.000 2.499 490 Y HA 0.761 5.313 4.550 0.004 0.000 0.347 490 Y C -0.376 175.505 175.900 -0.032 0.000 0.987 490 Y CA -1.350 56.640 58.100 -0.183 0.000 1.044 490 Y CB 2.312 40.674 38.460 -0.163 0.000 1.245 490 Y HN 0.971 nan 8.280 nan 0.000 0.461 491 A N 1.921 124.792 122.820 0.085 0.000 2.267 491 A HA 0.667 4.990 4.320 0.004 0.000 0.315 491 A C -0.147 177.386 177.584 -0.085 0.000 1.297 491 A CA -0.354 51.663 52.037 -0.033 0.000 0.865 491 A CB 0.964 19.846 19.000 -0.196 0.000 1.165 491 A HN 0.731 nan 8.150 nan 0.000 0.513 492 T N 1.322 115.801 114.554 -0.124 0.000 2.678 492 T HA 0.836 5.188 4.350 0.004 0.000 0.260 492 T C 0.714 175.320 174.700 -0.157 0.000 0.932 492 T CA 1.039 63.063 62.100 -0.125 0.000 1.043 492 T CB 0.794 69.589 68.868 -0.123 0.000 1.413 492 T HN 2.580 nan 8.240 nan 0.000 0.568 493 G N -0.103 108.593 108.800 -0.174 0.000 2.568 493 G HA2 -0.143 3.819 3.960 0.004 0.000 0.222 493 G HA3 -0.143 3.819 3.960 0.004 0.000 0.222 493 G C -1.114 173.625 174.900 -0.269 0.000 1.321 493 G CA -0.082 44.895 45.100 -0.205 0.000 0.893 493 G HN 0.837 nan 8.290 nan 0.000 0.569 494 Y N 0.686 120.864 120.300 -0.204 0.000 2.301 494 Y HA 0.515 5.068 4.550 0.004 0.000 0.325 494 Y C 1.658 177.420 175.900 -0.231 0.000 1.203 494 Y CA 0.098 58.073 58.100 -0.208 0.000 1.255 494 Y CB 0.766 39.062 38.460 -0.274 0.000 1.232 494 Y HN 0.671 nan 8.280 nan 0.000 0.501 495 I N -0.640 119.960 120.570 0.051 0.000 2.823 495 I HA 0.337 4.509 4.170 0.004 0.000 0.290 495 I C 0.260 176.355 176.117 -0.036 0.000 1.091 495 I CA -0.372 60.945 61.300 0.028 0.000 1.365 495 I CB 0.990 39.030 38.000 0.067 0.000 1.427 495 I HN 0.378 nan 8.210 nan 0.000 0.583 496 S N 2.435 118.107 115.700 -0.046 0.000 2.537 496 S HA 0.497 4.969 4.470 0.004 0.000 0.275 496 S C -0.138 174.487 174.600 0.042 0.000 1.272 496 S CA -0.335 57.834 58.200 -0.051 0.000 1.050 496 S CB 0.289 63.378 63.200 -0.185 0.000 0.961 496 S HN 0.884 nan 8.310 nan 0.000 0.496 497 S N 2.864 118.633 115.700 0.115 0.000 2.667 497 S HA 0.939 5.412 4.470 0.004 0.000 0.292 497 S C -0.702 173.946 174.600 0.079 0.000 1.126 497 S CA -0.772 57.492 58.200 0.106 0.000 0.881 497 S CB 1.661 64.926 63.200 0.108 0.000 1.132 497 S HN 0.993 nan 8.310 nan 0.000 0.492 498 A N 0.708 123.502 122.820 -0.044 0.000 2.469 498 A HA 0.762 5.084 4.320 0.004 0.000 0.299 498 A C -0.939 176.598 177.584 -0.078 0.000 1.098 498 A CA -0.822 51.042 52.037 -0.289 0.000 0.737 498 A CB 0.833 19.672 19.000 -0.268 0.000 1.312 498 A HN 1.144 nan 8.150 nan 0.000 0.414 499 F N 1.049 120.882 119.950 -0.195 0.000 2.529 499 F HA 0.428 4.958 4.527 0.004 0.000 0.365 499 F C -0.026 175.860 175.800 0.144 0.000 1.102 499 F CA -0.344 57.699 58.000 0.071 0.000 1.271 499 F CB 0.440 39.516 39.000 0.125 0.000 1.120 499 F HN 0.461 nan 8.300 nan 0.000 0.579 500 L N 9.138 129.893 121.223 -0.779 0.000 2.313 500 L HA 0.391 4.733 4.340 0.004 0.000 0.282 500 L C -0.969 175.492 176.870 -0.682 0.000 1.092 500 L CA -0.013 54.489 54.840 -0.564 0.000 0.831 500 L CB -0.149 41.714 42.059 -0.326 0.000 1.159 500 L HN 0.608 nan 8.230 nan 0.000 0.442 501 F N 3.452 123.165 119.950 -0.396 0.000 2.662 501 F HA 0.909 5.438 4.527 0.004 0.000 0.312 501 F C 0.346 176.108 175.800 -0.064 0.000 1.113 501 F CA -0.276 57.606 58.000 -0.197 0.000 0.951 501 F CB 0.527 39.497 39.000 -0.050 0.000 1.344 501 F HN 0.860 nan 8.300 nan 0.000 0.462 502 G N 0.596 109.378 108.800 -0.030 0.000 2.641 502 G HA2 0.216 4.179 3.960 0.004 0.000 0.254 502 G HA3 0.216 4.179 3.960 0.004 0.000 0.254 502 G C -0.121 174.698 174.900 -0.135 0.000 1.315 502 G CA -0.086 44.968 45.100 -0.077 0.000 0.907 502 G HN 2.072 nan 8.290 nan 0.000 0.572 503 A N 0.145 122.914 122.820 -0.086 0.000 2.500 503 A HA 0.542 4.865 4.320 0.004 0.000 0.285 503 A C 0.966 178.504 177.584 -0.077 0.000 1.183 503 A CA 1.353 53.357 52.037 -0.055 0.000 0.851 503 A CB -0.527 18.462 19.000 -0.017 0.000 1.091 503 A HN 1.430 nan 8.150 nan 0.000 0.521 504 T N 1.956 116.461 114.554 -0.081 0.000 2.851 504 T HA 0.524 4.877 4.350 0.004 0.000 0.298 504 T C 1.364 176.021 174.700 -0.072 0.000 0.977 504 T CA 0.810 62.864 62.100 -0.076 0.000 1.126 504 T CB 1.171 69.996 68.868 -0.071 0.000 0.916 504 T HN 1.326 nan 8.240 nan 0.000 0.529 505 G N 2.631 111.375 108.800 -0.092 0.000 3.751 505 G HA2 -0.057 3.905 3.960 0.004 0.000 0.216 505 G HA3 -0.057 3.905 3.960 0.004 0.000 0.216 505 G C 0.733 175.521 174.900 -0.187 0.000 0.911 505 G CA -0.335 44.697 45.100 -0.113 0.000 0.869 505 G HN 0.582 nan 8.290 nan 0.000 0.462 506 K N -0.676 119.528 120.400 -0.327 0.000 2.380 506 K HA 0.399 4.721 4.320 0.004 0.000 0.198 506 K C 0.579 176.700 176.600 -0.799 0.000 1.070 506 K CA 0.086 56.005 56.287 -0.614 0.000 1.040 506 K CB 0.432 32.418 32.500 -0.856 0.000 0.903 506 K HN 0.340 nan 8.250 nan 0.000 0.549 507 Y N -0.834 119.425 120.300 -0.068 0.000 2.588 507 Y HA 0.371 4.923 4.550 0.004 0.000 0.247 507 Y C 0.521 176.392 175.900 -0.049 0.000 1.157 507 Y CA -0.208 57.856 58.100 -0.061 0.000 1.215 507 Y CB 1.824 40.234 38.460 -0.083 0.000 1.245 507 Y HN 0.043 nan 8.280 nan 0.000 0.534 508 G N 0.121 108.937 108.800 0.027 0.000 2.347 508 G HA2 -0.067 3.895 3.960 0.004 0.000 0.341 508 G HA3 -0.067 3.895 3.960 0.004 0.000 0.341 508 G C -1.648 173.252 174.900 0.000 0.000 1.287 508 G CA -1.236 43.874 45.100 0.017 0.000 0.984 508 G HN -0.048 nan 8.290 nan 0.000 0.526 509 N N 0.283 118.989 118.700 0.010 0.000 2.466 509 N HA 0.382 5.125 4.740 0.004 0.000 0.294 509 N C -0.024 175.485 175.510 -0.001 0.000 1.129 509 N CA -0.505 52.549 53.050 0.007 0.000 0.931 509 N CB 1.853 40.360 38.487 0.034 0.000 1.193 509 N HN 0.771 nan 8.380 nan 0.000 0.500 510 Q N 0.913 120.705 119.800 -0.013 0.000 2.289 510 Q HA 0.124 4.466 4.340 0.004 0.000 0.273 510 Q C 0.655 176.654 176.000 -0.002 0.000 1.029 510 Q CA -0.083 55.709 55.803 -0.019 0.000 0.896 510 Q CB 0.595 29.315 28.738 -0.031 0.000 1.182 510 Q HN 0.599 nan 8.270 nan 0.000 0.385 511 V N -0.283 119.628 119.914 -0.004 0.000 3.562 511 V HA 0.324 4.446 4.120 0.004 0.000 0.270 511 V C 0.103 176.197 176.094 -0.001 0.000 1.418 511 V CA 0.587 62.888 62.300 0.002 0.000 1.033 511 V CB 0.293 32.114 31.823 -0.004 0.000 0.820 511 V HN 0.662 nan 8.190 nan 0.000 0.441 512 S N -0.957 114.738 115.700 -0.009 0.000 2.703 512 S HA 0.594 5.066 4.470 0.004 0.000 0.273 512 S C -1.054 173.539 174.600 -0.011 0.000 1.178 512 S CA -0.542 57.656 58.200 -0.004 0.000 0.838 512 S CB 1.832 65.014 63.200 -0.031 0.000 1.178 512 S HN 0.175 nan 8.310 nan 0.000 0.494 513 E N 0.399 120.599 120.200 0.001 0.000 2.392 513 E HA 0.294 4.647 4.350 0.004 0.000 0.264 513 E C -0.069 176.511 176.600 -0.033 0.000 1.024 513 E CA 0.960 57.298 56.400 -0.103 0.000 0.903 513 E CB -0.426 29.188 29.700 -0.142 0.000 0.963 513 E HN 0.821 nan 8.360 nan 0.000 0.432 514 H N 0.406 119.534 119.070 0.097 0.000 3.141 514 H HA -0.171 4.388 4.556 0.004 0.000 0.260 514 H C -0.553 174.781 175.328 0.010 0.000 1.132 514 H CA 1.172 57.272 56.048 0.086 0.000 1.171 514 H CB -1.301 28.655 29.762 0.323 0.000 1.274 514 H HN 0.295 nan 8.280 nan 0.000 0.329 515 T N 0.980 115.568 114.554 0.057 0.000 2.809 515 T HA 0.473 4.826 4.350 0.004 0.000 0.284 515 T C -0.316 174.371 174.700 -0.022 0.000 0.992 515 T CA -0.742 61.376 62.100 0.030 0.000 0.957 515 T CB 1.861 70.740 68.868 0.018 0.000 0.942 515 T HN 0.197 nan 8.240 nan 0.000 0.439 516 L N 3.603 124.806 121.223 -0.034 0.000 2.264 516 L HA 0.725 5.067 4.340 0.004 0.000 0.289 516 L C 0.570 177.439 176.870 -0.002 0.000 1.044 516 L CA 0.009 54.828 54.840 -0.036 0.000 0.807 516 L CB 0.698 42.717 42.059 -0.067 0.000 1.192 516 L HN 0.723 nan 8.230 nan 0.000 0.425 517 G N 3.113 111.918 108.800 0.009 0.000 2.365 517 G HA2 0.366 4.329 3.960 0.004 0.000 0.293 517 G HA3 0.366 4.329 3.960 0.004 0.000 0.293 517 G C 0.031 174.962 174.900 0.051 0.000 1.128 517 G CA 0.025 45.140 45.100 0.026 0.000 0.971 517 G HN 0.766 nan 8.290 nan 0.000 0.422 518 T N 0.251 114.868 114.554 0.104 0.000 2.814 518 T HA 0.307 4.659 4.350 0.004 0.000 0.297 518 T C 0.607 175.450 174.700 0.239 0.000 0.956 518 T CA -0.710 61.491 62.100 0.169 0.000 1.123 518 T CB 1.700 70.695 68.868 0.211 0.000 0.902 518 T HN 0.483 nan 8.240 nan 0.000 0.528 519 V N 6.009 126.004 119.914 0.135 0.000 2.872 519 V HA 0.358 4.480 4.120 0.004 0.000 0.307 519 V C -0.015 176.065 176.094 -0.022 0.000 1.072 519 V CA 0.341 62.647 62.300 0.010 0.000 1.148 519 V CB -0.342 31.477 31.823 -0.006 0.000 0.954 519 V HN 1.241 nan 8.190 nan 0.000 0.490 520 H N 2.452 121.341 119.070 -0.301 0.000 2.987 520 H HA 0.413 4.971 4.556 0.004 0.000 0.316 520 H C -1.053 174.025 175.328 -0.417 0.000 1.380 520 H CA -0.286 55.434 56.048 -0.546 0.000 1.160 520 H CB 1.180 30.166 29.762 -1.293 0.000 1.865 520 H HN 0.675 nan 8.280 nan 0.000 0.521 521 T N -0.462 113.873 114.554 -0.365 0.000 2.895 521 T HA 0.424 4.777 4.350 0.004 0.000 0.283 521 T C -0.472 173.987 174.700 -0.403 0.000 1.014 521 T CA -0.799 61.108 62.100 -0.321 0.000 1.037 521 T CB 1.861 70.624 68.868 -0.176 0.000 1.006 521 T HN 0.632 nan 8.240 nan 0.000 0.468 522 H N 0.758 119.647 119.070 -0.302 0.000 2.492 522 H HA 0.694 5.252 4.556 0.004 0.000 0.345 522 H C -0.531 174.785 175.328 -0.019 0.000 1.136 522 H CA -0.747 55.202 56.048 -0.164 0.000 1.202 522 H CB 2.028 31.592 29.762 -0.328 0.000 1.524 522 H HN 0.679 nan 8.280 nan 0.000 0.506 523 S N 0.722 116.596 115.700 0.289 0.000 2.541 523 S HA 0.700 5.173 4.470 0.004 0.000 0.271 523 S C -0.924 173.882 174.600 0.345 0.000 1.133 523 S CA -0.758 57.676 58.200 0.390 0.000 0.876 523 S CB 2.462 65.874 63.200 0.353 0.000 1.105 523 S HN 0.831 nan 8.310 nan 0.000 0.470 524 A N 1.671 124.648 122.820 0.262 0.000 2.475 524 A HA 0.756 5.079 4.320 0.004 0.000 0.301 524 A C -1.402 176.027 177.584 -0.258 0.000 1.059 524 A CA -0.527 51.373 52.037 -0.228 0.000 0.710 524 A CB 1.231 19.843 19.000 -0.647 0.000 1.288 524 A HN 0.875 nan 8.150 nan 0.000 0.408 525 H N 1.397 119.873 119.070 -0.990 0.000 2.481 525 H HA 0.620 5.178 4.556 0.004 0.000 0.333 525 H C -1.713 173.161 175.328 -0.757 0.000 1.066 525 H CA -0.256 55.275 56.048 -0.861 0.000 1.209 525 H CB 0.793 29.607 29.762 -1.580 0.000 1.445 525 H HN 0.507 nan 8.280 nan 0.000 0.488 526 F N 2.845 122.489 119.950 -0.511 0.000 2.522 526 F HA 0.297 4.826 4.527 0.004 0.000 0.324 526 F C 0.302 175.872 175.800 -0.383 0.000 1.077 526 F CA -0.835 56.972 58.000 -0.320 0.000 0.944 526 F CB 1.696 40.681 39.000 -0.026 0.000 1.175 526 F HN 0.302 nan 8.300 nan 0.000 0.468 527 K N 2.268 122.595 120.400 -0.122 0.000 2.240 527 K HA 0.622 4.944 4.320 0.004 0.000 0.271 527 K C -1.584 174.827 176.600 -0.315 0.000 1.018 527 K CA -0.367 55.688 56.287 -0.387 0.000 0.874 527 K CB 1.115 33.393 32.500 -0.371 0.000 1.098 527 K HN 0.536 nan 8.250 nan 0.000 0.458 528 V N 4.493 124.162 119.914 -0.408 0.000 2.289 528 V HA 0.063 4.185 4.120 0.004 0.000 0.272 528 V C -0.638 175.307 176.094 -0.248 0.000 1.026 528 V CA -0.813 61.336 62.300 -0.252 0.000 0.807 528 V CB 0.911 32.606 31.823 -0.213 0.000 1.044 528 V HN 0.746 nan 8.190 nan 0.000 0.443 529 D N 4.587 124.875 120.400 -0.187 0.000 2.522 529 D HA 0.270 4.913 4.640 0.004 0.000 0.218 529 D C 0.053 176.339 176.300 -0.023 0.000 1.149 529 D CA -0.052 53.887 54.000 -0.101 0.000 0.981 529 D CB 0.318 41.111 40.800 -0.012 0.000 1.041 529 D HN 0.391 nan 8.370 nan 0.000 0.518 530 L N 2.439 123.640 121.223 -0.035 0.000 2.410 530 L HA 0.182 4.524 4.340 0.004 0.000 0.273 530 L C 0.333 177.228 176.870 0.042 0.000 1.152 530 L CA 0.120 54.958 54.840 -0.004 0.000 0.855 530 L CB 0.714 42.782 42.059 0.014 0.000 1.129 530 L HN 0.121 nan 8.230 nan 0.000 0.463 531 D N 2.864 123.306 120.400 0.070 0.000 2.460 531 D HA 0.177 4.819 4.640 0.004 0.000 0.268 531 D C -0.488 175.904 176.300 0.152 0.000 1.153 531 D CA -0.218 53.848 54.000 0.109 0.000 0.929 531 D CB 1.272 42.148 40.800 0.126 0.000 1.015 531 D HN 0.031 nan 8.370 nan 0.000 0.502 532 V N 1.608 121.642 119.914 0.199 0.000 2.390 532 V HA 0.227 4.350 4.120 0.004 0.000 0.260 532 V C 1.267 177.582 176.094 0.368 0.000 1.043 532 V CA -0.103 62.387 62.300 0.317 0.000 1.047 532 V CB -0.049 32.016 31.823 0.402 0.000 1.066 532 V HN 0.723 nan 8.190 nan 0.000 0.481 533 A N 3.742 126.799 122.820 0.396 0.000 2.783 533 A HA 0.110 4.433 4.320 0.004 0.000 0.292 533 A C 1.084 178.790 177.584 0.203 0.000 1.495 533 A CA 1.202 53.392 52.037 0.255 0.000 0.787 533 A CB -1.476 17.613 19.000 0.149 0.000 1.017 533 A HN 2.621 nan 8.150 nan 0.000 0.516 534 G N -3.502 105.416 108.800 0.196 0.000 2.357 534 G HA2 0.295 4.258 3.960 0.004 0.000 0.643 534 G HA3 0.295 4.258 3.960 0.004 0.000 0.643 534 G C 0.181 175.174 174.900 0.154 0.000 1.358 534 G CA -0.247 44.953 45.100 0.168 0.000 0.986 534 G HN 1.001 nan 8.290 nan 0.000 0.620 535 L N 0.172 121.462 121.223 0.112 0.000 2.056 535 L HA 0.110 4.452 4.340 0.004 0.000 0.207 535 L C 1.284 178.180 176.870 0.043 0.000 1.078 535 L CA 1.019 55.896 54.840 0.061 0.000 0.749 535 L CB -0.283 41.791 42.059 0.024 0.000 0.901 535 L HN 0.514 nan 8.230 nan 0.000 0.433 536 E N 2.083 122.321 120.200 0.063 0.000 2.220 536 E HA 0.143 4.496 4.350 0.004 0.000 0.272 536 E C -0.901 175.716 176.600 0.028 0.000 1.099 536 E CA 0.257 56.632 56.400 -0.040 0.000 0.907 536 E CB 0.052 29.750 29.700 -0.004 0.000 1.022 536 E HN 0.397 nan 8.360 nan 0.000 0.428 537 N N 2.078 120.704 118.700 -0.123 0.000 2.381 537 N HA 0.464 5.206 4.740 0.004 0.000 0.294 537 N C -0.658 174.765 175.510 -0.145 0.000 1.216 537 N CA -0.782 52.318 53.050 0.084 0.000 0.803 537 N CB 1.861 40.429 38.487 0.135 0.000 1.372 537 N HN 0.318 nan 8.380 nan 0.000 0.500 538 W N 0.589 121.913 121.300 0.040 0.000 2.882 538 W HA 0.539 5.202 4.660 0.004 0.000 0.345 538 W C -1.104 175.331 176.519 -0.141 0.000 1.125 538 W CA -0.578 56.709 57.345 -0.096 0.000 1.167 538 W CB 1.696 31.072 29.460 -0.139 0.000 1.431 538 W HN 0.067 nan 8.180 nan 0.000 0.543 539 V N 1.285 121.140 119.914 -0.098 0.000 2.448 539 V HA 0.339 4.461 4.120 0.004 0.000 0.295 539 V C -1.110 174.757 176.094 -0.378 0.000 1.025 539 V CA -0.550 61.669 62.300 -0.134 0.000 0.859 539 V CB 1.078 32.876 31.823 -0.042 0.000 0.988 539 V HN 0.412 nan 8.190 nan 0.000 0.431 540 W N 2.503 123.634 121.300 -0.282 0.000 2.573 540 W HA 0.768 5.431 4.660 0.004 0.000 0.326 540 W C 0.020 176.361 176.519 -0.297 0.000 1.049 540 W CA -0.604 56.504 57.345 -0.395 0.000 1.220 540 W CB 1.964 30.924 29.460 -0.833 0.000 1.373 540 W HN 0.633 nan 8.180 nan 0.000 0.507 541 A N 2.806 125.732 122.820 0.176 0.000 2.273 541 A HA 0.646 4.968 4.320 0.004 0.000 0.315 541 A C -0.727 176.987 177.584 0.217 0.000 1.256 541 A CA -0.574 51.569 52.037 0.176 0.000 0.851 541 A CB 0.581 19.685 19.000 0.173 0.000 1.172 541 A HN 0.687 nan 8.150 nan 0.000 0.508 542 E N 1.385 121.725 120.200 0.233 0.000 2.227 542 E HA 0.548 4.900 4.350 0.004 0.000 0.268 542 E C -1.110 175.567 176.600 0.128 0.000 0.907 542 E CA -0.618 55.888 56.400 0.177 0.000 0.786 542 E CB 2.059 31.857 29.700 0.164 0.000 1.191 542 E HN 0.746 nan 8.360 nan 0.000 0.411 543 D N 0.713 121.147 120.400 0.057 0.000 2.946 543 D HA 0.351 4.993 4.640 0.004 0.000 0.337 543 D C -1.343 174.939 176.300 -0.029 0.000 1.332 543 D CA -0.438 53.584 54.000 0.037 0.000 0.935 543 D CB 1.609 42.440 40.800 0.052 0.000 1.440 543 D HN 0.437 nan 8.370 nan 0.000 0.540 544 M N -0.015 119.557 119.600 -0.046 0.000 2.644 544 M HA 0.791 5.274 4.480 0.004 0.000 0.304 544 M C -1.472 174.744 176.300 -0.139 0.000 1.215 544 M CA -0.796 54.425 55.300 -0.131 0.000 0.871 544 M CB 2.683 35.180 32.600 -0.172 0.000 1.740 544 M HN 0.117 nan 8.290 nan 0.000 0.464 545 V N 1.418 121.183 119.914 -0.248 0.000 3.167 545 V HA 0.614 4.737 4.120 0.004 0.000 0.293 545 V C -2.159 173.745 176.094 -0.317 0.000 1.379 545 V CA -0.576 61.623 62.300 -0.167 0.000 1.019 545 V CB 2.826 34.624 31.823 -0.043 0.000 1.115 545 V HN 0.876 nan 8.190 nan 0.000 0.442 546 F N 3.847 123.806 119.950 0.014 0.000 2.458 546 F HA 0.735 5.265 4.527 0.004 0.000 0.336 546 F C 0.029 175.834 175.800 0.009 0.000 1.114 546 F CA -0.756 57.250 58.000 0.010 0.000 0.987 546 F CB 2.134 41.139 39.000 0.009 0.000 1.130 546 F HN 0.226 nan 8.300 nan 0.000 0.458 547 V N 4.835 124.856 119.914 0.179 0.000 2.378 547 V HA 0.347 4.469 4.120 0.004 0.000 0.288 547 V C -2.208 173.943 176.094 0.095 0.000 1.016 547 V CA -2.183 60.181 62.300 0.106 0.000 0.840 547 V CB 1.422 33.280 31.823 0.059 0.000 0.994 547 V HN 0.480 nan 8.190 nan 0.000 0.431 548 P HA 0.185 nan 4.420 nan 0.000 0.263 548 P C -0.752 176.559 177.300 0.019 0.000 1.195 548 P CA 0.360 63.481 63.100 0.036 0.000 0.762 548 P CB 0.395 32.106 31.700 0.020 0.000 0.799 549 M N 1.069 120.671 119.600 0.003 0.000 2.569 549 M HA 0.705 5.187 4.480 0.004 0.000 0.279 549 M C -0.627 175.645 176.300 -0.047 0.000 1.253 549 M CA -1.400 53.891 55.300 -0.016 0.000 0.867 549 M CB 2.041 34.634 32.600 -0.011 0.000 1.727 549 M HN 0.118 nan 8.290 nan 0.000 0.467 550 A N 1.302 124.087 122.820 -0.059 0.000 2.425 550 A HA 0.533 4.855 4.320 0.004 0.000 0.249 550 A C 0.058 177.545 177.584 -0.160 0.000 1.084 550 A CA -0.525 51.457 52.037 -0.092 0.000 0.781 550 A CB 0.160 19.115 19.000 -0.076 0.000 1.019 550 A HN 0.658 nan 8.150 nan 0.000 0.490 551 V N 5.126 124.888 119.914 -0.255 0.000 2.485 551 V HA 0.034 4.156 4.120 0.004 0.000 0.287 551 V C -1.302 174.509 176.094 -0.470 0.000 1.022 551 V CA -0.397 61.580 62.300 -0.538 0.000 1.067 551 V CB 0.668 32.013 31.823 -0.796 0.000 0.967 551 V HN 0.840 nan 8.190 nan 0.000 0.479 552 P HA -0.168 nan 4.420 nan 0.000 0.216 552 P C 1.277 178.595 177.300 0.030 0.000 1.157 552 P CA 1.910 64.977 63.100 -0.055 0.000 0.880 552 P CB 0.006 31.799 31.700 0.155 0.000 0.791 553 W N -2.347 118.968 121.300 0.025 0.000 3.256 553 W HA 0.413 5.075 4.660 0.004 0.000 0.269 553 W C 0.315 176.858 176.519 0.039 0.000 1.310 553 W CA 0.232 57.592 57.345 0.025 0.000 1.673 553 W CB -0.440 29.030 29.460 0.017 0.000 1.115 553 W HN -0.138 nan 8.180 nan 0.000 0.686 554 S N 0.680 116.248 115.700 -0.220 0.000 2.708 554 S HA 0.247 4.720 4.470 0.004 0.000 0.141 554 S C -2.088 172.452 174.600 -0.100 0.000 1.349 554 S CA -0.773 57.374 58.200 -0.088 0.000 1.206 554 S CB 0.109 63.283 63.200 -0.044 0.000 1.603 554 S HN -0.216 nan 8.310 nan 0.000 0.415 555 P HA -0.096 nan 4.420 nan 0.000 0.228 555 P C 1.369 178.613 177.300 -0.093 0.000 1.151 555 P CA 0.614 63.661 63.100 -0.089 0.000 0.770 555 P CB 0.024 31.692 31.700 -0.055 0.000 0.786 556 E N -0.941 119.191 120.200 -0.113 0.000 2.338 556 E HA -0.156 4.196 4.350 0.004 0.000 0.197 556 E C -0.024 176.386 176.600 -0.316 0.000 1.007 556 E CA 0.739 57.015 56.400 -0.207 0.000 0.849 556 E CB -0.584 28.962 29.700 -0.258 0.000 0.774 556 E HN 0.371 nan 8.360 nan 0.000 0.506 557 H N 0.023 119.030 119.070 -0.107 0.000 2.567 557 H HA 0.328 4.886 4.556 0.004 0.000 0.345 557 H C -0.226 175.024 175.328 -0.129 0.000 1.169 557 H CA -0.743 55.238 56.048 -0.112 0.000 1.227 557 H CB 1.312 30.997 29.762 -0.128 0.000 1.607 557 H HN -0.058 nan 8.280 nan 0.000 0.534 558 Q N 1.539 121.363 119.800 0.041 0.000 2.306 558 Q HA 0.365 4.707 4.340 0.004 0.000 0.265 558 Q C -1.118 174.861 176.000 -0.035 0.000 1.022 558 Q CA -1.078 54.713 55.803 -0.020 0.000 0.853 558 Q CB 2.630 31.360 28.738 -0.015 0.000 1.327 558 Q HN 0.396 nan 8.270 nan 0.000 0.449 559 L N -0.888 120.305 121.223 -0.051 0.000 2.309 559 L HA 0.543 4.886 4.340 0.004 0.000 0.261 559 L C -0.553 176.320 176.870 0.005 0.000 1.021 559 L CA -0.967 53.855 54.840 -0.030 0.000 0.823 559 L CB 0.964 42.998 42.059 -0.043 0.000 1.366 559 L HN 0.232 nan 8.230 nan 0.000 0.423 560 Q N 1.284 121.102 119.800 0.030 0.000 2.390 560 Q HA 0.388 4.730 4.340 0.004 0.000 0.249 560 Q C -0.764 175.382 176.000 0.244 0.000 0.996 560 Q CA -0.313 55.549 55.803 0.098 0.000 0.899 560 Q CB 1.509 30.214 28.738 -0.055 0.000 1.216 560 Q HN 0.564 nan 8.270 nan 0.000 0.465 561 R N 2.496 123.119 120.500 0.204 0.000 2.242 561 R HA 0.189 4.532 4.340 0.004 0.000 0.334 561 R C -0.687 175.692 176.300 0.131 0.000 1.071 561 R CA -0.468 55.721 56.100 0.149 0.000 0.922 561 R CB -0.058 30.288 30.300 0.076 0.000 1.023 561 R HN 0.388 nan 8.270 nan 0.000 0.458 562 L N 4.201 125.465 121.223 0.069 0.000 2.360 562 L HA 0.237 4.580 4.340 0.004 0.000 0.276 562 L C -0.724 176.040 176.870 -0.178 0.000 1.121 562 L CA 0.860 55.554 54.840 -0.243 0.000 0.845 562 L CB 0.738 42.663 42.059 -0.223 0.000 1.143 562 L HN 0.722 nan 8.230 nan 0.000 0.452 563 Q N 3.293 122.952 119.800 -0.234 0.000 2.456 563 Q HA 0.561 4.903 4.340 0.004 0.000 0.283 563 Q C -1.320 174.589 176.000 -0.152 0.000 1.084 563 Q CA -1.163 54.556 55.803 -0.140 0.000 0.801 563 Q CB 2.415 31.107 28.738 -0.077 0.000 1.434 563 Q HN 0.415 nan 8.270 nan 0.000 0.419 564 V N 1.563 121.413 119.914 -0.107 0.000 2.546 564 V HA 0.312 4.435 4.120 0.004 0.000 0.284 564 V C 0.293 176.360 176.094 -0.044 0.000 1.050 564 V CA -0.309 61.936 62.300 -0.092 0.000 0.981 564 V CB 1.078 32.844 31.823 -0.094 0.000 0.990 564 V HN 0.922 nan 8.190 nan 0.000 0.474 565 T N 3.160 117.701 114.554 -0.021 0.000 2.929 565 T HA 0.757 5.109 4.350 0.004 0.000 0.284 565 T C -0.419 174.318 174.700 0.062 0.000 1.014 565 T CA -0.881 61.233 62.100 0.024 0.000 1.051 565 T CB 1.873 70.762 68.868 0.035 0.000 1.028 565 T HN 0.703 nan 8.240 nan 0.000 0.485 566 R N 0.609 121.169 120.500 0.101 0.000 2.584 566 R HA 0.584 4.927 4.340 0.004 0.000 0.276 566 R C -1.703 174.731 176.300 0.223 0.000 1.046 566 R CA -0.778 55.425 56.100 0.171 0.000 0.906 566 R CB 1.583 31.964 30.300 0.136 0.000 1.215 566 R HN 0.813 nan 8.270 nan 0.000 0.449 567 K N 4.445 125.021 120.400 0.294 0.000 2.535 567 K HA 0.264 4.587 4.320 0.004 0.000 0.251 567 K C -1.714 175.007 176.600 0.202 0.000 0.942 567 K CA -0.833 55.590 56.287 0.227 0.000 0.798 567 K CB 1.622 34.208 32.500 0.143 0.000 1.267 567 K HN 0.433 nan 8.250 nan 0.000 0.434 568 L N 5.365 126.594 121.223 0.010 0.000 2.331 568 L HA 0.363 4.706 4.340 0.004 0.000 0.278 568 L C -1.165 175.592 176.870 -0.189 0.000 1.106 568 L CA 0.010 54.619 54.840 -0.385 0.000 0.824 568 L CB 0.611 42.349 42.059 -0.537 0.000 1.142 568 L HN 0.534 nan 8.230 nan 0.000 0.443 569 L N 6.077 127.180 121.223 -0.201 0.000 2.262 569 L HA 0.369 4.712 4.340 0.004 0.000 0.288 569 L C 0.781 177.583 176.870 -0.114 0.000 1.035 569 L CA -0.134 54.648 54.840 -0.097 0.000 0.820 569 L CB 0.903 42.940 42.059 -0.037 0.000 1.204 569 L HN 0.726 nan 8.230 nan 0.000 0.424 570 E N 2.586 122.735 120.200 -0.085 0.000 2.364 570 E HA 0.160 4.513 4.350 0.004 0.000 0.196 570 E C -0.000 176.555 176.600 -0.075 0.000 0.990 570 E CA 0.488 56.842 56.400 -0.077 0.000 0.886 570 E CB 0.512 30.183 29.700 -0.049 0.000 0.866 570 E HN 0.495 nan 8.360 nan 0.000 0.493 571 M N -0.048 119.512 119.600 -0.067 0.000 2.602 571 M HA 0.262 4.744 4.480 0.004 0.000 0.312 571 M C 0.684 176.944 176.300 -0.068 0.000 1.181 571 M CA -0.303 54.959 55.300 -0.063 0.000 0.910 571 M CB 1.404 33.973 32.600 -0.052 0.000 1.723 571 M HN -0.138 nan 8.290 nan 0.000 0.459 572 E N 0.722 120.884 120.200 -0.063 0.000 2.097 572 E HA -0.218 4.134 4.350 0.004 0.000 0.196 572 E C 1.192 177.742 176.600 -0.084 0.000 1.000 572 E CA 1.522 57.885 56.400 -0.062 0.000 0.804 572 E CB 0.279 29.945 29.700 -0.056 0.000 0.740 572 E HN 0.540 nan 8.360 nan 0.000 0.454 573 E N 0.724 120.876 120.200 -0.080 0.000 2.153 573 E HA -0.211 4.141 4.350 0.004 0.000 0.194 573 E C 1.984 178.500 176.600 -0.140 0.000 0.988 573 E CA 0.919 57.267 56.400 -0.085 0.000 0.811 573 E CB -0.207 29.460 29.700 -0.056 0.000 0.746 573 E HN 0.447 nan 8.360 nan 0.000 0.466 574 Q N -0.037 119.684 119.800 -0.132 0.000 2.226 574 Q HA -0.017 4.325 4.340 0.004 0.000 0.204 574 Q C 1.383 177.194 176.000 -0.316 0.000 0.975 574 Q CA 1.239 56.944 55.803 -0.163 0.000 0.866 574 Q CB 0.085 28.776 28.738 -0.080 0.000 0.915 574 Q HN 0.171 nan 8.270 nan 0.000 0.440 575 A N -0.129 122.527 122.820 -0.274 0.000 2.500 575 A HA 0.523 4.845 4.320 0.004 0.000 0.267 575 A C 0.201 177.592 177.584 -0.322 0.000 1.290 575 A CA -0.157 51.721 52.037 -0.265 0.000 0.928 575 A CB 0.432 19.432 19.000 0.001 0.000 1.066 575 A HN 0.174 nan 8.150 nan 0.000 0.516 576 A N 0.266 122.831 122.820 -0.425 0.000 2.253 576 A HA 0.705 5.027 4.320 0.004 0.000 0.316 576 A C -0.980 176.468 177.584 -0.226 0.000 1.327 576 A CA -0.255 51.697 52.037 -0.142 0.000 0.917 576 A CB -0.256 18.756 19.000 0.020 0.000 1.162 576 A HN 0.301 nan 8.150 nan 0.000 0.535 577 F N 3.245 123.391 119.950 0.327 0.000 2.382 577 F HA 0.379 4.909 4.527 0.004 0.000 0.361 577 F C 0.229 176.162 175.800 0.222 0.000 1.109 577 F CA -0.483 57.653 58.000 0.226 0.000 1.031 577 F CB 1.338 40.434 39.000 0.159 0.000 1.234 577 F HN 0.391 nan 8.300 nan 0.000 0.445 578 L N 3.283 124.645 121.223 0.231 0.000 2.467 578 L HA 0.191 4.533 4.340 0.004 0.000 0.270 578 L C 0.278 177.200 176.870 0.087 0.000 1.205 578 L CA -0.647 54.207 54.840 0.024 0.000 0.828 578 L CB 0.393 42.407 42.059 -0.075 0.000 1.101 578 L HN 0.266 nan 8.230 nan 0.000 0.479 579 V N 2.287 122.222 119.914 0.034 0.000 2.814 579 V HA 0.047 4.169 4.120 0.004 0.000 0.307 579 V C 1.295 177.419 176.094 0.050 0.000 1.089 579 V CA 1.611 63.947 62.300 0.060 0.000 1.212 579 V CB 0.459 32.305 31.823 0.040 0.000 0.912 579 V HN 1.125 nan 8.190 nan 0.000 0.497 580 G N 3.630 112.467 108.800 0.061 0.000 2.234 580 G HA2 -0.272 3.690 3.960 0.004 0.000 0.260 580 G HA3 -0.272 3.690 3.960 0.004 0.000 0.260 580 G C 0.505 175.440 174.900 0.058 0.000 0.987 580 G CA 0.308 45.439 45.100 0.051 0.000 0.625 580 G HN 0.779 nan 8.290 nan 0.000 0.532 581 S N 0.765 116.514 115.700 0.081 0.000 2.585 581 S HA 0.627 5.100 4.470 0.004 0.000 0.273 581 S C 0.785 175.433 174.600 0.080 0.000 1.339 581 S CA 0.262 58.524 58.200 0.103 0.000 1.028 581 S CB 1.237 64.545 63.200 0.180 0.000 0.906 581 S HN 1.507 nan 8.310 nan 0.000 0.528 582 A N 2.540 125.401 122.820 0.068 0.000 2.401 582 A HA 0.546 4.868 4.320 0.004 0.000 0.259 582 A C 0.614 178.188 177.584 -0.016 0.000 1.103 582 A CA -0.522 51.529 52.037 0.024 0.000 0.789 582 A CB -0.037 18.981 19.000 0.030 0.000 1.035 582 A HN 0.799 nan 8.150 nan 0.000 0.491 583 T N 0.464 114.933 114.554 -0.141 0.000 2.945 583 T HA 0.675 5.027 4.350 0.004 0.000 0.286 583 T C -2.777 171.774 174.700 -0.248 0.000 1.025 583 T CA -1.935 59.925 62.100 -0.400 0.000 1.039 583 T CB 0.825 69.330 68.868 -0.605 0.000 1.068 583 T HN 0.393 nan 8.240 nan 0.000 0.497 584 P HA 0.219 nan 4.420 nan 0.000 0.262 584 P C 0.720 177.985 177.300 -0.058 0.000 1.182 584 P CA -0.262 62.793 63.100 -0.076 0.000 0.761 584 P CB 0.500 32.189 31.700 -0.019 0.000 0.795 585 R N 1.561 122.072 120.500 0.019 0.000 2.120 585 R HA -0.103 4.239 4.340 0.004 0.000 0.234 585 R C 0.055 176.353 176.300 -0.003 0.000 1.123 585 R CA 1.333 57.447 56.100 0.024 0.000 0.975 585 R CB -0.159 30.208 30.300 0.112 0.000 0.866 585 R HN 0.517 nan 8.270 nan 0.000 0.446 586 Y N 0.025 120.290 120.300 -0.058 0.000 2.555 586 Y HA 0.315 4.867 4.550 0.004 0.000 0.326 586 Y C -0.782 175.149 175.900 0.052 0.000 0.984 586 Y CA -0.721 57.341 58.100 -0.063 0.000 1.298 586 Y CB 1.230 39.609 38.460 -0.136 0.000 1.094 586 Y HN -0.076 nan 8.280 nan 0.000 0.500 587 L N 6.312 127.603 121.223 0.113 0.000 2.313 587 L HA 0.665 5.008 4.340 0.004 0.000 0.283 587 L C -1.443 175.578 176.870 0.252 0.000 1.013 587 L CA -0.681 54.244 54.840 0.142 0.000 0.816 587 L CB 0.745 42.818 42.059 0.024 0.000 1.236 587 L HN 0.533 nan 8.230 nan 0.000 0.419 588 Y N 3.253 123.658 120.300 0.176 0.000 2.552 588 Y HA 0.650 5.202 4.550 0.004 0.000 0.337 588 Y C -1.839 174.244 175.900 0.305 0.000 1.094 588 Y CA -1.504 56.729 58.100 0.221 0.000 1.028 588 Y CB 0.945 39.545 38.460 0.233 0.000 1.321 588 Y HN 0.301 nan 8.280 nan 0.000 0.456 589 L N 3.410 124.887 121.223 0.423 0.000 2.325 589 L HA 0.911 5.253 4.340 0.004 0.000 0.279 589 L C -0.108 177.098 176.870 0.560 0.000 1.054 589 L CA -1.050 54.014 54.840 0.374 0.000 0.804 589 L CB 1.541 43.757 42.059 0.261 0.000 1.200 589 L HN 0.959 nan 8.230 nan 0.000 0.436 590 A N 1.986 125.151 122.820 0.575 0.000 2.475 590 A HA 0.595 4.918 4.320 0.004 0.000 0.301 590 A C -0.355 177.574 177.584 0.575 0.000 1.059 590 A CA -0.410 52.020 52.037 0.656 0.000 0.710 590 A CB 2.012 21.520 19.000 0.847 0.000 1.288 590 A HN 0.632 nan 8.150 nan 0.000 0.408 591 S N -0.224 115.765 115.700 0.483 0.000 2.633 591 S HA 0.095 4.567 4.470 0.004 0.000 0.257 591 S C 1.143 175.918 174.600 0.292 0.000 1.265 591 S CA 0.630 59.093 58.200 0.438 0.000 0.980 591 S CB 0.446 63.868 63.200 0.370 0.000 1.017 591 S HN 0.915 nan 8.310 nan 0.000 0.577 592 N N -0.801 117.960 118.700 0.101 0.000 2.415 592 N HA 0.117 4.860 4.740 0.004 0.000 0.174 592 N C -0.257 175.059 175.510 -0.323 0.000 1.048 592 N CA 0.455 53.286 53.050 -0.365 0.000 0.895 592 N CB -0.088 38.162 38.487 -0.395 0.000 1.036 592 N HN 0.637 nan 8.380 nan 0.000 0.449 593 H N -0.863 118.206 119.070 -0.001 0.000 2.488 593 H HA 0.465 5.023 4.556 0.004 0.000 0.347 593 H C -0.259 175.040 175.328 -0.048 0.000 1.174 593 H CA -0.359 55.670 56.048 -0.032 0.000 1.307 593 H CB 1.436 31.182 29.762 -0.027 0.000 1.517 593 H HN -0.085 nan 8.280 nan 0.000 0.554 594 S N 1.206 116.933 115.700 0.046 0.000 2.651 594 S HA 0.163 4.635 4.470 0.004 0.000 0.291 594 S C 0.087 174.639 174.600 -0.080 0.000 1.141 594 S CA -1.099 57.083 58.200 -0.030 0.000 1.027 594 S CB 0.620 63.777 63.200 -0.072 0.000 1.043 594 S HN 0.768 nan 8.310 nan 0.000 0.530 595 N N 1.344 119.986 118.700 -0.097 0.000 2.347 595 N HA 0.085 4.828 4.740 0.004 0.000 0.253 595 N C 0.706 176.060 175.510 -0.260 0.000 1.274 595 N CA -0.493 52.454 53.050 -0.171 0.000 0.941 595 N CB 0.105 38.525 38.487 -0.112 0.000 1.200 595 N HN 0.643 nan 8.380 nan 0.000 0.514 596 K N -0.585 119.530 120.400 -0.475 0.000 2.293 596 K HA -0.135 4.188 4.320 0.004 0.000 0.204 596 K C 0.180 176.376 176.600 -0.674 0.000 1.045 596 K CA 1.346 57.201 56.287 -0.720 0.000 0.933 596 K CB -0.176 31.657 32.500 -1.111 0.000 0.736 596 K HN 0.710 nan 8.250 nan 0.000 0.463 597 W N -0.132 121.141 121.300 -0.045 0.000 3.223 597 W HA 0.300 4.963 4.660 0.004 0.000 0.389 597 W C 0.965 177.384 176.519 -0.167 0.000 1.118 597 W CA -0.216 57.098 57.345 -0.051 0.000 1.902 597 W CB 0.606 30.081 29.460 0.026 0.000 1.094 597 W HN 0.245 nan 8.180 nan 0.000 0.666 598 G N 0.369 109.123 108.800 -0.076 0.000 2.159 598 G HA2 -0.261 3.702 3.960 0.004 0.000 0.256 598 G HA3 -0.261 3.702 3.960 0.004 0.000 0.256 598 G C -0.021 174.654 174.900 -0.375 0.000 0.977 598 G CA -0.232 44.731 45.100 -0.228 0.000 0.652 598 G HN 0.420 nan 8.290 nan 0.000 0.531 599 H N 0.524 119.564 119.070 -0.050 0.000 2.457 599 H HA 0.379 4.937 4.556 0.004 0.000 0.335 599 H C -2.459 172.809 175.328 -0.101 0.000 1.115 599 H CA -1.958 54.026 56.048 -0.107 0.000 1.219 599 H CB 1.680 31.355 29.762 -0.146 0.000 1.471 599 H HN 0.041 nan 8.280 nan 0.000 0.491 600 P HA -0.023 nan 4.420 nan 0.000 0.264 600 P C -0.050 177.317 177.300 0.112 0.000 1.193 600 P CA 0.096 63.229 63.100 0.055 0.000 0.763 600 P CB 0.444 32.182 31.700 0.065 0.000 0.810 601 R N 2.417 122.989 120.500 0.119 0.000 2.316 601 R HA 0.601 4.943 4.340 0.004 0.000 0.314 601 R C 0.491 177.007 176.300 0.358 0.000 1.069 601 R CA -0.476 55.702 56.100 0.130 0.000 0.959 601 R CB 0.108 30.358 30.300 -0.082 0.000 0.987 601 R HN 0.497 nan 8.270 nan 0.000 0.446 602 G N 2.010 111.037 108.800 0.377 0.000 2.619 602 G HA2 0.478 4.441 3.960 0.004 0.000 0.296 602 G HA3 0.478 4.441 3.960 0.004 0.000 0.296 602 G C -1.892 173.238 174.900 0.383 0.000 1.334 602 G CA -0.633 44.775 45.100 0.512 0.000 0.934 602 G HN 0.462 nan 8.290 nan 0.000 0.476 603 Y N 0.786 121.270 120.300 0.307 0.000 2.328 603 Y HA 0.466 5.018 4.550 0.004 0.000 0.336 603 Y C 0.872 176.909 175.900 0.228 0.000 0.960 603 Y CA -0.814 57.384 58.100 0.165 0.000 1.134 603 Y CB 1.642 40.122 38.460 0.033 0.000 1.166 603 Y HN 0.684 nan 8.280 nan 0.000 0.464 604 R N 3.961 124.576 120.500 0.191 0.000 2.500 604 R HA 0.657 4.999 4.340 0.004 0.000 0.277 604 R C -1.370 175.012 176.300 0.138 0.000 1.026 604 R CA -0.528 55.673 56.100 0.169 0.000 1.058 604 R CB 0.944 31.220 30.300 -0.040 0.000 1.078 604 R HN 0.666 nan 8.270 nan 0.000 0.509 605 I N 2.530 123.163 120.570 0.106 0.000 2.307 605 I HA 0.158 4.331 4.170 0.004 0.000 0.289 605 I C -0.126 176.001 176.117 0.018 0.000 1.021 605 I CA -0.336 61.005 61.300 0.070 0.000 1.224 605 I CB 1.476 39.486 38.000 0.017 0.000 1.376 605 I HN 0.589 nan 8.210 nan 0.000 0.470 606 Q N 7.674 127.513 119.800 0.064 0.000 2.325 606 Q HA 0.558 4.900 4.340 0.004 0.000 0.262 606 Q C -1.187 174.876 176.000 0.104 0.000 0.968 606 Q CA -0.693 55.120 55.803 0.018 0.000 0.877 606 Q CB 1.454 30.166 28.738 -0.042 0.000 1.253 606 Q HN 0.615 nan 8.270 nan 0.000 0.448 607 M N 4.207 123.825 119.600 0.029 0.000 2.363 607 M HA 0.403 4.886 4.480 0.004 0.000 0.343 607 M C -1.075 175.216 176.300 -0.014 0.000 1.165 607 M CA -0.645 54.684 55.300 0.049 0.000 1.046 607 M CB 1.372 33.979 32.600 0.012 0.000 1.648 607 M HN 0.479 nan 8.290 nan 0.000 0.452 608 L N 2.073 123.282 121.223 -0.024 0.000 2.366 608 L HA 0.606 4.948 4.340 0.004 0.000 0.266 608 L C -0.376 176.339 176.870 -0.258 0.000 1.010 608 L CA -0.193 54.550 54.840 -0.163 0.000 0.879 608 L CB 1.245 43.251 42.059 -0.088 0.000 1.228 608 L HN 0.639 nan 8.230 nan 0.000 0.439 609 S N 1.748 117.197 115.700 -0.420 0.000 2.543 609 S HA 0.655 5.128 4.470 0.004 0.000 0.271 609 S C -0.771 173.542 174.600 -0.479 0.000 1.148 609 S CA -0.428 57.580 58.200 -0.320 0.000 0.914 609 S CB 0.823 64.016 63.200 -0.012 0.000 1.096 609 S HN 0.382 nan 8.310 nan 0.000 0.471 610 F N 2.769 122.794 119.950 0.125 0.000 2.963 610 F HA 0.498 5.028 4.527 0.004 0.000 0.321 610 F C 1.100 176.987 175.800 0.145 0.000 1.234 610 F CA -0.580 57.488 58.000 0.114 0.000 1.296 610 F CB 0.103 39.161 39.000 0.097 0.000 0.981 610 F HN 0.656 nan 8.300 nan 0.000 0.507 611 A N 0.807 123.762 122.820 0.226 0.000 2.561 611 A HA 0.421 4.743 4.320 0.004 0.000 0.234 611 A C 1.102 178.780 177.584 0.157 0.000 1.055 611 A CA 0.379 52.538 52.037 0.203 0.000 0.756 611 A CB -0.212 18.889 19.000 0.168 0.000 0.986 611 A HN 0.548 nan 8.150 nan 0.000 0.505 612 G N 0.716 109.588 108.800 0.120 0.000 2.636 612 G HA2 0.390 4.353 3.960 0.004 0.000 0.246 612 G HA3 0.390 4.353 3.960 0.004 0.000 0.246 612 G C 0.121 175.042 174.900 0.035 0.000 1.216 612 G CA -0.345 44.793 45.100 0.062 0.000 0.854 612 G HN 0.921 nan 8.290 nan 0.000 0.572 613 E N 1.571 121.781 120.200 0.017 0.000 2.406 613 E HA 0.082 4.434 4.350 0.004 0.000 0.258 613 E C -1.553 175.037 176.600 -0.017 0.000 1.043 613 E CA -1.252 55.149 56.400 0.002 0.000 0.929 613 E CB 0.469 30.168 29.700 -0.002 0.000 0.969 613 E HN 0.207 nan 8.360 nan 0.000 0.462 614 P HA -0.054 nan 4.420 nan 0.000 0.270 614 P C -0.328 176.954 177.300 -0.030 0.000 1.223 614 P CA -0.410 62.662 63.100 -0.047 0.000 0.785 614 P CB 0.552 32.211 31.700 -0.068 0.000 0.923 615 L N 4.095 125.316 121.223 -0.003 0.000 2.540 615 L HA 0.104 4.447 4.340 0.004 0.000 0.276 615 L C -2.021 174.843 176.870 -0.009 0.000 1.212 615 L CA -1.047 53.810 54.840 0.028 0.000 0.893 615 L CB -1.012 41.130 42.059 0.138 0.000 1.138 615 L HN 0.293 nan 8.230 nan 0.000 0.491 616 P HA -0.031 nan 4.420 nan 0.000 0.264 616 P C 0.114 177.386 177.300 -0.047 0.000 1.193 616 P CA 0.129 63.212 63.100 -0.028 0.000 0.763 616 P CB 0.424 32.115 31.700 -0.014 0.000 0.810 617 Q N 2.708 122.470 119.800 -0.063 0.000 2.325 617 Q HA -0.286 4.056 4.340 0.004 0.000 0.211 617 Q C 1.489 177.452 176.000 -0.062 0.000 0.988 617 Q CA 1.609 57.365 55.803 -0.079 0.000 0.887 617 Q CB -0.295 28.399 28.738 -0.074 0.000 0.915 617 Q HN 0.472 nan 8.270 nan 0.000 0.440 618 N N -0.531 118.145 118.700 -0.039 0.000 2.459 618 N HA -0.067 4.675 4.740 0.004 0.000 0.181 618 N C -0.072 175.430 175.510 -0.013 0.000 1.046 618 N CA 0.141 53.177 53.050 -0.023 0.000 0.904 618 N CB 0.248 38.727 38.487 -0.013 0.000 0.964 618 N HN -0.014 nan 8.380 nan 0.000 0.444 619 S N -0.313 115.376 115.700 -0.018 0.000 2.516 619 S HA 0.025 4.498 4.470 0.004 0.000 0.282 619 S C 1.308 175.903 174.600 -0.009 0.000 1.286 619 S CA -0.407 57.794 58.200 0.002 0.000 1.066 619 S CB 0.659 63.859 63.200 -0.001 0.000 0.884 619 S HN 0.388 nan 8.310 nan 0.000 0.491 620 S N 4.878 120.618 115.700 0.068 0.000 2.500 620 S HA -0.160 4.312 4.470 0.004 0.000 0.239 620 S C 1.504 176.160 174.600 0.093 0.000 0.989 620 S CA 1.138 59.410 58.200 0.120 0.000 0.951 620 S CB -0.593 62.736 63.200 0.215 0.000 0.759 620 S HN 0.940 nan 8.310 nan 0.000 0.523 621 M N -0.620 118.940 119.600 -0.068 0.000 2.414 621 M HA 0.586 5.068 4.480 0.004 0.000 0.251 621 M C 1.950 177.872 176.300 -0.629 0.000 1.116 621 M CA 0.520 55.564 55.300 -0.425 0.000 1.056 621 M CB -0.145 32.127 32.600 -0.546 0.000 1.388 621 M HN 0.169 nan 8.290 nan 0.000 0.487 622 A N 1.924 124.450 122.820 -0.491 0.000 2.032 622 A HA -0.124 4.198 4.320 0.004 0.000 0.221 622 A C 2.155 179.261 177.584 -0.796 0.000 1.165 622 A CA 1.443 53.072 52.037 -0.681 0.000 0.645 622 A CB -0.616 18.194 19.000 -0.317 0.000 0.807 622 A HN 0.566 nan 8.150 nan 0.000 0.453 623 R N -0.641 119.549 120.500 -0.518 0.000 2.280 623 R HA -0.061 4.282 4.340 0.004 0.000 0.207 623 R C 2.014 178.064 176.300 -0.416 0.000 1.043 623 R CA 0.878 56.754 56.100 -0.374 0.000 1.006 623 R CB -0.889 29.285 30.300 -0.210 0.000 0.885 623 R HN 0.524 nan 8.270 nan 0.000 0.467 624 G N 0.645 109.072 108.800 -0.620 0.000 2.679 624 G HA2 -0.113 3.849 3.960 0.004 0.000 0.212 624 G HA3 -0.113 3.849 3.960 0.004 0.000 0.212 624 G C 0.383 175.150 174.900 -0.220 0.000 1.137 624 G CA 0.167 45.023 45.100 -0.406 0.000 0.787 624 G HN 0.383 nan 8.290 nan 0.000 0.534 625 F N -1.330 118.476 119.950 -0.240 0.000 2.453 625 F HA 0.291 4.820 4.527 0.004 0.000 0.382 625 F C 1.072 176.424 175.800 -0.746 0.000 1.495 625 F CA -0.765 56.952 58.000 -0.471 0.000 1.071 625 F CB -0.523 38.147 39.000 -0.551 0.000 1.577 625 F HN -0.026 nan 8.300 nan 0.000 0.508 626 S N -0.174 115.327 115.700 -0.332 0.000 2.547 626 S HA -0.154 4.319 4.470 0.004 0.000 0.235 626 S C 1.471 176.067 174.600 -0.007 0.000 0.980 626 S CA 0.658 58.746 58.200 -0.187 0.000 0.941 626 S CB -0.839 62.321 63.200 -0.067 0.000 0.763 626 S HN 0.776 nan 8.310 nan 0.000 0.532 627 W N 1.559 122.797 121.300 -0.103 0.000 2.525 627 W HA 0.145 4.807 4.660 0.004 0.000 0.259 627 W C 1.445 177.887 176.519 -0.128 0.000 1.253 627 W CA 0.575 57.668 57.345 -0.420 0.000 1.262 627 W CB -0.691 27.863 29.460 -1.510 0.000 1.122 627 W HN 0.437 nan 8.180 nan 0.000 0.607 628 E N 1.561 121.417 120.200 -0.573 0.000 2.204 628 E HA -0.190 4.163 4.350 0.004 0.000 0.195 628 E C 2.039 178.584 176.600 -0.091 0.000 0.990 628 E CA 1.185 57.329 56.400 -0.427 0.000 0.821 628 E CB -0.116 29.248 29.700 -0.559 0.000 0.750 628 E HN 0.320 nan 8.360 nan 0.000 0.477 629 R N -0.775 119.662 120.500 -0.106 0.000 2.276 629 R HA -0.011 4.332 4.340 0.004 0.000 0.203 629 R C 0.005 176.139 176.300 -0.277 0.000 1.017 629 R CA 0.340 56.303 56.100 -0.228 0.000 1.010 629 R CB 0.130 30.200 30.300 -0.384 0.000 0.900 629 R HN 0.123 nan 8.270 nan 0.000 0.469 630 Y N 0.036 120.420 120.300 0.140 0.000 2.387 630 Y HA 0.154 4.707 4.550 0.004 0.000 0.336 630 Y C 1.397 177.442 175.900 0.242 0.000 1.067 630 Y CA -0.684 57.545 58.100 0.216 0.000 1.114 630 Y CB 1.487 40.126 38.460 0.298 0.000 1.208 630 Y HN -0.197 nan 8.280 nan 0.000 0.458 631 Q N 1.240 121.273 119.800 0.388 0.000 2.123 631 Q HA 0.099 4.442 4.340 0.004 0.000 0.196 631 Q C -0.665 175.530 176.000 0.325 0.000 0.958 631 Q CA 0.790 56.776 55.803 0.305 0.000 0.841 631 Q CB 0.532 29.404 28.738 0.224 0.000 0.915 631 Q HN 0.536 nan 8.270 nan 0.000 0.455 632 L N -0.948 120.528 121.223 0.421 0.000 2.513 632 L HA 0.670 5.013 4.340 0.004 0.000 0.261 632 L C -2.177 174.961 176.870 0.447 0.000 0.945 632 L CA -0.489 54.579 54.840 0.380 0.000 0.848 632 L CB 2.152 44.407 42.059 0.327 0.000 1.334 632 L HN -0.056 nan 8.230 nan 0.000 0.407 633 A N 3.699 126.758 122.820 0.399 0.000 2.515 633 A HA 0.891 5.213 4.320 0.004 0.000 0.298 633 A C -1.807 176.000 177.584 0.371 0.000 1.059 633 A CA -0.585 51.648 52.037 0.328 0.000 0.698 633 A CB 2.114 21.264 19.000 0.250 0.000 1.289 633 A HN 0.572 nan 8.150 nan 0.000 0.404 634 V N 1.871 121.929 119.914 0.241 0.000 2.483 634 V HA 0.751 4.873 4.120 0.004 0.000 0.297 634 V C 0.172 176.367 176.094 0.167 0.000 1.027 634 V CA -0.006 62.415 62.300 0.201 0.000 0.855 634 V CB 1.462 33.353 31.823 0.114 0.000 0.995 634 V HN 1.232 nan 8.190 nan 0.000 0.424 635 T N 1.201 115.894 114.554 0.233 0.000 2.901 635 T HA 0.565 4.917 4.350 0.004 0.000 0.293 635 T C -0.574 174.185 174.700 0.098 0.000 1.084 635 T CA -0.924 61.279 62.100 0.172 0.000 1.008 635 T CB 1.745 70.787 68.868 0.290 0.000 1.170 635 T HN 0.519 nan 8.240 nan 0.000 0.509 636 Q N 1.102 120.919 119.800 0.028 0.000 2.274 636 Q HA 0.198 4.541 4.340 0.004 0.000 0.280 636 Q C 0.164 176.171 176.000 0.012 0.000 1.047 636 Q CA -0.364 55.431 55.803 -0.014 0.000 0.907 636 Q CB 0.575 29.284 28.738 -0.048 0.000 1.171 636 Q HN 0.543 nan 8.270 nan 0.000 0.381 637 R N 3.192 123.686 120.500 -0.009 0.000 2.370 637 R HA 0.090 4.433 4.340 0.004 0.000 0.309 637 R C -1.056 175.222 176.300 -0.037 0.000 1.059 637 R CA 0.562 56.656 56.100 -0.010 0.000 0.981 637 R CB 0.403 30.673 30.300 -0.050 0.000 0.972 637 R HN 0.360 nan 8.270 nan 0.000 0.437 638 K N 3.292 123.667 120.400 -0.041 0.000 2.375 638 K HA 0.155 4.478 4.320 0.004 0.000 0.249 638 K C -0.085 176.490 176.600 -0.042 0.000 0.942 638 K CA -0.959 55.290 56.287 -0.063 0.000 0.806 638 K CB 1.918 34.355 32.500 -0.105 0.000 1.227 638 K HN 0.475 nan 8.250 nan 0.000 0.430 639 E N 1.451 121.634 120.200 -0.029 0.000 2.153 639 E HA -0.164 4.189 4.350 0.004 0.000 0.194 639 E C 0.287 176.891 176.600 0.006 0.000 0.988 639 E CA 1.569 57.970 56.400 0.001 0.000 0.811 639 E CB 0.249 29.951 29.700 0.002 0.000 0.746 639 E HN 0.483 nan 8.360 nan 0.000 0.466 640 E N 0.065 120.249 120.200 -0.027 0.000 2.445 640 E HA 0.093 4.445 4.350 0.004 0.000 0.189 640 E C -0.327 176.231 176.600 -0.071 0.000 1.069 640 E CA 0.188 56.572 56.400 -0.026 0.000 0.871 640 E CB 0.307 29.989 29.700 -0.031 0.000 0.991 640 E HN 0.198 nan 8.360 nan 0.000 0.481 641 E N 1.001 121.123 120.200 -0.130 0.000 3.898 641 E HA 0.107 4.459 4.350 0.004 0.000 0.219 641 E C -1.956 174.656 176.600 0.020 0.000 1.207 641 E CA -1.118 55.090 56.400 -0.320 0.000 1.240 641 E CB 0.917 30.068 29.700 -0.915 0.000 1.239 641 E HN 0.094 nan 8.360 nan 0.000 0.422 642 P HA 0.072 nan 4.420 nan 0.000 0.239 642 P C 0.007 177.559 177.300 0.420 0.000 1.188 642 P CA 0.285 63.551 63.100 0.277 0.000 0.794 642 P CB 0.667 32.501 31.700 0.223 0.000 0.937 643 S N -0.779 115.195 115.700 0.456 0.000 2.541 643 S HA 0.285 4.757 4.470 0.004 0.000 0.280 643 S C 0.696 175.581 174.600 0.474 0.000 1.112 643 S CA -0.366 58.109 58.200 0.458 0.000 0.925 643 S CB 1.742 65.122 63.200 0.301 0.000 1.067 643 S HN 0.031 nan 8.310 nan 0.000 0.479 644 S N 0.436 116.329 115.700 0.322 0.000 2.562 644 S HA 0.214 4.687 4.470 0.004 0.000 0.221 644 S C 0.783 175.393 174.600 0.017 0.000 0.975 644 S CA 0.109 58.333 58.200 0.040 0.000 0.918 644 S CB 0.062 63.146 63.200 -0.194 0.000 0.772 644 S HN 0.503 nan 8.310 nan 0.000 0.531 645 S N -0.164 115.586 115.700 0.083 0.000 2.911 645 S HA 0.785 5.257 4.470 0.004 0.000 0.319 645 S C -1.419 173.250 174.600 0.114 0.000 1.154 645 S CA -0.261 57.997 58.200 0.096 0.000 0.857 645 S CB 1.738 64.971 63.200 0.056 0.000 1.279 645 S HN 0.421 nan 8.310 nan 0.000 0.593 646 S N -0.141 115.603 115.700 0.074 0.000 2.548 646 S HA 0.327 4.799 4.470 0.004 0.000 0.278 646 S C 0.361 174.885 174.600 -0.126 0.000 1.150 646 S CA -0.004 58.208 58.200 0.020 0.000 0.907 646 S CB 1.084 64.343 63.200 0.099 0.000 1.108 646 S HN 1.007 nan 8.310 nan 0.000 0.459 647 V N 4.768 124.460 119.914 -0.369 0.000 2.546 647 V HA -0.068 4.054 4.120 0.004 0.000 0.254 647 V C 1.287 177.008 176.094 -0.621 0.000 1.076 647 V CA 2.291 64.207 62.300 -0.640 0.000 1.087 647 V CB -0.826 30.248 31.823 -1.248 0.000 0.674 647 V HN 0.814 nan 8.190 nan 0.000 0.470 648 F N -0.178 119.674 119.950 -0.163 0.000 2.789 648 F HA 0.133 4.662 4.527 0.004 0.000 0.300 648 F C 1.968 177.685 175.800 -0.138 0.000 1.132 648 F CA 0.508 58.399 58.000 -0.182 0.000 1.404 648 F CB -0.509 38.368 39.000 -0.204 0.000 1.114 648 F HN 0.209 nan 8.300 nan 0.000 0.584 649 N N 0.512 119.222 118.700 0.018 0.000 2.244 649 N HA -0.181 4.562 4.740 0.004 0.000 0.183 649 N C 1.865 177.365 175.510 -0.017 0.000 1.016 649 N CA 0.830 53.888 53.050 0.013 0.000 0.866 649 N CB -0.311 38.208 38.487 0.052 0.000 0.980 649 N HN 0.232 nan 8.380 nan 0.000 0.430 650 Q N 0.863 120.645 119.800 -0.031 0.000 2.050 650 Q HA -0.001 4.341 4.340 0.004 0.000 0.202 650 Q C 0.761 176.727 176.000 -0.056 0.000 0.980 650 Q CA 1.577 57.360 55.803 -0.034 0.000 0.840 650 Q CB -0.170 28.515 28.738 -0.087 0.000 0.898 650 Q HN 0.247 nan 8.270 nan 0.000 0.424 651 N N 0.115 118.785 118.700 -0.050 0.000 2.398 651 N HA 0.021 4.764 4.740 0.004 0.000 0.188 651 N C -0.674 174.904 175.510 0.112 0.000 1.122 651 N CA 0.544 53.601 53.050 0.011 0.000 0.866 651 N CB 0.562 39.034 38.487 -0.026 0.000 0.970 651 N HN 0.191 nan 8.380 nan 0.000 0.462 652 D N -0.690 119.738 120.400 0.047 0.000 3.118 652 D HA 0.147 4.789 4.640 0.004 0.000 0.286 652 D C -2.059 174.206 176.300 -0.059 0.000 1.255 652 D CA -1.295 52.793 54.000 0.147 0.000 0.748 652 D CB 1.028 41.967 40.800 0.231 0.000 1.332 652 D HN -0.027 nan 8.370 nan 0.000 0.575 653 P HA -0.047 nan 4.420 nan 0.000 0.223 653 P C 1.572 178.616 177.300 -0.427 0.000 1.151 653 P CA 0.461 63.289 63.100 -0.455 0.000 0.787 653 P CB 0.043 31.373 31.700 -0.617 0.000 0.788 654 W N 0.778 122.054 121.300 -0.039 0.000 2.425 654 W HA 0.168 4.830 4.660 0.004 0.000 0.277 654 W C 0.789 177.281 176.519 -0.045 0.000 1.231 654 W CA 0.621 57.934 57.345 -0.052 0.000 1.248 654 W CB -0.627 28.809 29.460 -0.039 0.000 1.117 654 W HN -0.019 nan 8.180 nan 0.000 0.568 655 A N 1.165 124.093 122.820 0.179 0.000 2.763 655 A HA 0.507 4.829 4.320 0.004 0.000 0.325 655 A C -2.565 175.037 177.584 0.031 0.000 1.209 655 A CA -1.181 50.912 52.037 0.094 0.000 0.764 655 A CB 0.197 19.269 19.000 0.121 0.000 1.120 655 A HN -0.289 nan 8.150 nan 0.000 0.463 656 P HA 0.267 nan 4.420 nan 0.000 0.271 656 P C 0.859 178.148 177.300 -0.020 0.000 1.218 656 P CA 0.128 63.207 63.100 -0.034 0.000 0.780 656 P CB 1.015 32.676 31.700 -0.065 0.000 0.901 657 T N -0.210 114.334 114.554 -0.016 0.000 2.937 657 T HA 0.078 4.430 4.350 0.004 0.000 0.260 657 T C 0.691 175.410 174.700 0.033 0.000 1.051 657 T CA 0.793 62.856 62.100 -0.062 0.000 1.141 657 T CB 0.099 68.931 68.868 -0.061 0.000 0.879 657 T HN 0.178 nan 8.240 nan 0.000 0.459 658 V N 2.216 122.175 119.914 0.075 0.000 2.540 658 V HA 0.482 4.605 4.120 0.004 0.000 0.302 658 V C -1.196 174.910 176.094 0.020 0.000 1.035 658 V CA -1.214 61.151 62.300 0.110 0.000 0.873 658 V CB 2.021 33.953 31.823 0.180 0.000 0.992 658 V HN 0.163 nan 8.190 nan 0.000 0.428 659 D N 2.722 123.099 120.400 -0.038 0.000 2.453 659 D HA 0.252 4.894 4.640 0.004 0.000 0.238 659 D C 0.436 176.546 176.300 -0.317 0.000 1.088 659 D CA -0.561 53.369 54.000 -0.117 0.000 0.854 659 D CB 1.423 42.170 40.800 -0.087 0.000 1.076 659 D HN 0.368 nan 8.370 nan 0.000 0.533 660 F N 3.551 123.190 119.950 -0.518 0.000 2.134 660 F HA -0.213 4.316 4.527 0.004 0.000 0.299 660 F C 2.257 177.605 175.800 -0.752 0.000 1.097 660 F CA 2.044 59.475 58.000 -0.948 0.000 1.264 660 F CB -0.135 38.496 39.000 -0.616 0.000 1.001 660 F HN 0.403 nan 8.300 nan 0.000 0.479 661 S N -0.510 114.957 115.700 -0.389 0.000 2.440 661 S HA -0.217 4.256 4.470 0.004 0.000 0.238 661 S C 1.569 175.976 174.600 -0.321 0.000 1.010 661 S CA 1.386 59.401 58.200 -0.309 0.000 0.972 661 S CB -0.791 62.403 63.200 -0.011 0.000 0.774 661 S HN 0.448 nan 8.310 nan 0.000 0.501 662 D N 1.307 121.532 120.400 -0.291 0.000 2.178 662 D HA -0.007 4.635 4.640 0.004 0.000 0.201 662 D C 1.292 177.591 176.300 -0.003 0.000 0.980 662 D CA 0.707 54.643 54.000 -0.106 0.000 0.842 662 D CB -0.432 40.366 40.800 -0.005 0.000 0.948 662 D HN 0.426 nan 8.370 nan 0.000 0.472 663 F N 0.556 120.254 119.950 -0.420 0.000 2.365 663 F HA 0.067 4.597 4.527 0.004 0.000 0.300 663 F C 1.154 176.739 175.800 -0.359 0.000 1.090 663 F CA -0.140 57.612 58.000 -0.413 0.000 1.408 663 F CB -0.938 37.679 39.000 -0.639 0.000 1.060 663 F HN -0.074 nan 8.300 nan 0.000 0.534 664 I N 2.211 122.642 120.570 -0.231 0.000 2.291 664 I HA 0.146 4.318 4.170 0.004 0.000 0.290 664 I C -0.128 175.928 176.117 -0.103 0.000 1.050 664 I CA -0.380 60.807 61.300 -0.187 0.000 1.245 664 I CB 0.102 37.942 38.000 -0.267 0.000 1.405 664 I HN 0.007 nan 8.210 nan 0.000 0.478 665 N N 4.104 122.763 118.700 -0.069 0.000 3.455 665 N HA 0.223 4.966 4.740 0.004 0.000 0.358 665 N C -0.261 175.222 175.510 -0.045 0.000 1.580 665 N CA -1.014 52.007 53.050 -0.048 0.000 0.692 665 N CB 0.255 38.720 38.487 -0.037 0.000 1.978 665 N HN 0.274 nan 8.380 nan 0.000 0.651 666 N N -0.474 118.204 118.700 -0.037 0.000 2.441 666 N HA 0.039 4.781 4.740 0.004 0.000 0.225 666 N C -0.772 174.714 175.510 -0.039 0.000 1.208 666 N CA 0.035 53.064 53.050 -0.036 0.000 0.847 666 N CB 0.251 38.721 38.487 -0.028 0.000 1.121 666 N HN 0.404 nan 8.380 nan 0.000 0.479 667 E N 0.341 120.514 120.200 -0.045 0.000 2.318 667 E HA 0.068 4.421 4.350 0.004 0.000 0.265 667 E C 0.129 176.694 176.600 -0.059 0.000 1.069 667 E CA -0.173 56.197 56.400 -0.050 0.000 0.893 667 E CB 1.088 30.758 29.700 -0.051 0.000 1.076 667 E HN -0.055 nan 8.360 nan 0.000 0.414 668 T N 0.820 115.334 114.554 -0.068 0.000 2.918 668 T HA 0.248 4.600 4.350 0.004 0.000 0.302 668 T C 0.593 175.224 174.700 -0.115 0.000 1.045 668 T CA -0.262 61.786 62.100 -0.087 0.000 1.114 668 T CB 0.112 68.926 68.868 -0.090 0.000 0.965 668 T HN 0.494 nan 8.240 nan 0.000 0.540 669 I N 1.590 122.078 120.570 -0.137 0.000 3.658 669 I HA 0.602 4.775 4.170 0.004 0.000 0.328 669 I C 0.373 176.316 176.117 -0.291 0.000 1.567 669 I CA -0.927 60.269 61.300 -0.174 0.000 1.078 669 I CB 0.285 38.220 38.000 -0.109 0.000 1.267 669 I HN 0.492 nan 8.210 nan 0.000 0.495 670 A N 1.738 124.354 122.820 -0.339 0.000 2.540 670 A HA 0.700 5.022 4.320 0.004 0.000 0.340 670 A C 1.014 178.029 177.584 -0.948 0.000 1.424 670 A CA 0.058 51.767 52.037 -0.545 0.000 0.940 670 A CB -0.499 18.433 19.000 -0.112 0.000 1.149 670 A HN 1.091 nan 8.150 nan 0.000 0.505 671 G N 1.791 109.488 108.800 -1.838 0.000 2.452 671 G HA2 -0.133 3.829 3.960 0.004 0.000 0.275 671 G HA3 -0.133 3.829 3.960 0.004 0.000 0.275 671 G C -0.288 174.165 174.900 -0.744 0.000 1.131 671 G CA 0.095 44.097 45.100 -1.830 0.000 1.031 671 G HN 0.644 nan 8.290 nan 0.000 0.511 672 K N -0.558 119.506 120.400 -0.559 0.000 2.495 672 K HA 0.418 4.740 4.320 0.004 0.000 0.268 672 K C -0.958 175.521 176.600 -0.202 0.000 1.008 672 K CA -1.034 55.079 56.287 -0.290 0.000 0.882 672 K CB 1.518 33.881 32.500 -0.227 0.000 1.443 672 K HN 0.141 nan 8.250 nan 0.000 0.447 673 D N 2.168 122.492 120.400 -0.127 0.000 2.346 673 D HA 0.167 4.810 4.640 0.004 0.000 0.260 673 D C -0.537 175.715 176.300 -0.079 0.000 1.252 673 D CA 0.135 54.083 54.000 -0.087 0.000 0.895 673 D CB 0.026 40.780 40.800 -0.078 0.000 1.097 673 D HN 0.262 nan 8.370 nan 0.000 0.489 674 L N 3.284 124.469 121.223 -0.064 0.000 2.334 674 L HA 0.559 4.902 4.340 0.004 0.000 0.275 674 L C -0.038 176.797 176.870 -0.058 0.000 1.036 674 L CA -1.214 53.597 54.840 -0.049 0.000 0.807 674 L CB 1.939 43.977 42.059 -0.035 0.000 1.231 674 L HN 0.142 nan 8.230 nan 0.000 0.438 675 V N 1.860 121.731 119.914 -0.072 0.000 2.656 675 V HA 0.809 4.931 4.120 0.004 0.000 0.307 675 V C -0.434 175.513 176.094 -0.246 0.000 1.051 675 V CA -0.322 61.845 62.300 -0.221 0.000 0.893 675 V CB 1.856 33.455 31.823 -0.372 0.000 0.999 675 V HN 0.862 nan 8.190 nan 0.000 0.426 676 A N 6.014 128.657 122.820 -0.295 0.000 2.301 676 A HA 0.818 5.140 4.320 0.004 0.000 0.312 676 A C -1.409 175.974 177.584 -0.335 0.000 1.182 676 A CA -0.490 51.443 52.037 -0.174 0.000 0.826 676 A CB 0.620 19.559 19.000 -0.102 0.000 1.134 676 A HN 0.928 nan 8.150 nan 0.000 0.501 677 W N 1.918 123.230 121.300 0.021 0.000 2.471 677 W HA 0.545 5.208 4.660 0.004 0.000 0.318 677 W C -0.811 175.612 176.519 -0.159 0.000 1.034 677 W CA -0.574 56.710 57.345 -0.103 0.000 1.224 677 W CB 1.808 31.354 29.460 0.144 0.000 1.335 677 W HN 0.404 nan 8.180 nan 0.000 0.452 678 V N 3.280 123.090 119.914 -0.173 0.000 2.448 678 V HA 0.534 4.656 4.120 0.004 0.000 0.295 678 V C -0.058 176.080 176.094 0.074 0.000 1.025 678 V CA -0.754 61.464 62.300 -0.136 0.000 0.859 678 V CB 1.621 33.068 31.823 -0.627 0.000 0.988 678 V HN 0.501 nan 8.190 nan 0.000 0.431 679 T N 4.082 118.805 114.554 0.281 0.000 2.829 679 T HA 0.786 5.139 4.350 0.004 0.000 0.282 679 T C -0.084 174.856 174.700 0.401 0.000 0.990 679 T CA -0.317 62.048 62.100 0.442 0.000 1.028 679 T CB 1.618 70.815 68.868 0.549 0.000 0.951 679 T HN 0.987 nan 8.240 nan 0.000 0.460 680 A N 1.871 124.990 122.820 0.498 0.000 2.449 680 A HA 1.003 5.325 4.320 0.004 0.000 0.302 680 A C -0.015 177.910 177.584 0.568 0.000 1.048 680 A CA -0.441 51.888 52.037 0.486 0.000 0.708 680 A CB 1.810 21.126 19.000 0.528 0.000 1.274 680 A HN 1.208 nan 8.150 nan 0.000 0.410 681 G N -0.234 108.834 108.800 0.446 0.000 2.428 681 G HA2 0.766 4.729 3.960 0.004 0.000 0.304 681 G HA3 0.766 4.729 3.960 0.004 0.000 0.304 681 G C -1.250 173.920 174.900 0.451 0.000 1.303 681 G CA 0.158 45.509 45.100 0.418 0.000 0.825 681 G HN 1.971 nan 8.290 nan 0.000 0.484 682 F N -2.068 118.043 119.950 0.267 0.000 2.741 682 F HA 0.774 5.304 4.527 0.004 0.000 0.311 682 F C -1.360 174.532 175.800 0.154 0.000 1.149 682 F CA -1.443 56.684 58.000 0.212 0.000 0.930 682 F CB 1.421 40.526 39.000 0.176 0.000 1.312 682 F HN 0.649 nan 8.300 nan 0.000 0.450 683 L N 2.282 123.661 121.223 0.260 0.000 2.326 683 L HA 0.476 4.819 4.340 0.004 0.000 0.278 683 L C -0.918 176.098 176.870 0.242 0.000 1.092 683 L CA 0.064 54.967 54.840 0.104 0.000 0.810 683 L CB 0.827 42.925 42.059 0.064 0.000 1.153 683 L HN 0.853 nan 8.230 nan 0.000 0.439 684 H N 5.842 124.834 119.070 -0.131 0.000 2.762 684 H HA 0.431 4.989 4.556 0.004 0.000 0.310 684 H C -1.112 174.063 175.328 -0.256 0.000 1.004 684 H CA -0.925 55.049 56.048 -0.124 0.000 1.267 684 H CB 0.900 30.599 29.762 -0.107 0.000 1.437 684 H HN 0.655 nan 8.280 nan 0.000 0.498 685 I N 7.819 128.453 120.570 0.107 0.000 2.287 685 I HA 0.220 4.393 4.170 0.004 0.000 0.290 685 I C -2.274 173.927 176.117 0.139 0.000 1.069 685 I CA -2.038 59.276 61.300 0.023 0.000 1.237 685 I CB 0.838 38.862 38.000 0.041 0.000 1.418 685 I HN 0.418 nan 8.210 nan 0.000 0.481 686 P HA 0.042 nan 4.420 nan 0.000 0.266 686 P C -1.052 176.319 177.300 0.118 0.000 1.193 686 P CA 0.463 63.534 63.100 -0.048 0.000 0.770 686 P CB 0.309 31.946 31.700 -0.106 0.000 0.836 687 H N -1.274 117.834 119.070 0.064 0.000 2.990 687 H HA 0.683 5.241 4.556 0.004 0.000 0.343 687 H C 0.886 176.236 175.328 0.037 0.000 1.270 687 H CA -0.994 55.076 56.048 0.037 0.000 1.118 687 H CB 0.396 30.177 29.762 0.032 0.000 1.861 687 H HN 0.226 nan 8.280 nan 0.000 0.544 688 A N 0.624 123.508 122.820 0.107 0.000 1.971 688 A HA -0.289 4.034 4.320 0.004 0.000 0.222 688 A C 1.568 179.159 177.584 0.012 0.000 1.182 688 A CA 2.295 54.360 52.037 0.046 0.000 0.649 688 A CB -0.955 18.081 19.000 0.061 0.000 0.818 688 A HN 0.831 nan 8.150 nan 0.000 0.458 689 E N 0.317 120.553 120.200 0.059 0.000 2.472 689 E HA -0.071 4.281 4.350 0.004 0.000 0.200 689 E C 0.679 177.211 176.600 -0.113 0.000 1.046 689 E CA 0.785 57.200 56.400 0.025 0.000 0.871 689 E CB -0.089 29.713 29.700 0.170 0.000 0.806 689 E HN 0.543 nan 8.360 nan 0.000 0.533 690 D N -0.175 120.083 120.400 -0.236 0.000 2.340 690 D HA 0.002 4.644 4.640 0.004 0.000 0.220 690 D C -0.071 176.173 176.300 -0.093 0.000 1.039 690 D CA 0.310 54.206 54.000 -0.174 0.000 0.866 690 D CB 0.395 41.101 40.800 -0.158 0.000 0.913 690 D HN 0.112 nan 8.370 nan 0.000 0.523 691 I N 2.235 122.766 120.570 -0.065 0.000 2.354 691 I HA 0.135 4.308 4.170 0.004 0.000 0.292 691 I C -1.210 174.889 176.117 -0.029 0.000 0.989 691 I CA -2.201 59.081 61.300 -0.029 0.000 1.188 691 I CB 1.462 39.461 38.000 -0.002 0.000 1.342 691 I HN -0.261 nan 8.210 nan 0.000 0.457 692 P HA -0.017 nan 4.420 nan 0.000 0.220 692 P C 0.067 177.192 177.300 -0.291 0.000 1.152 692 P CA 0.979 64.036 63.100 -0.072 0.000 0.812 692 P CB 0.736 32.409 31.700 -0.044 0.000 0.792 693 N N -1.175 117.358 118.700 -0.279 0.000 2.265 693 N HA 0.251 4.994 4.740 0.004 0.000 0.300 693 N C -0.808 174.597 175.510 -0.174 0.000 1.148 693 N CA -0.541 52.314 53.050 -0.325 0.000 0.772 693 N CB 1.639 39.920 38.487 -0.344 0.000 1.434 693 N HN -0.254 nan 8.380 nan 0.000 0.481 694 T N 1.161 115.637 114.554 -0.131 0.000 2.779 694 T HA 0.156 4.508 4.350 0.004 0.000 0.296 694 T C 0.583 175.214 174.700 -0.115 0.000 0.938 694 T CA -0.537 61.512 62.100 -0.085 0.000 1.119 694 T CB 0.285 69.154 68.868 0.001 0.000 0.891 694 T HN 0.303 nan 8.240 nan 0.000 0.526 695 V N 1.998 121.845 119.914 -0.111 0.000 2.953 695 V HA 0.450 4.573 4.120 0.004 0.000 0.304 695 V C 1.341 177.364 176.094 -0.118 0.000 1.073 695 V CA -0.217 62.017 62.300 -0.109 0.000 1.064 695 V CB 0.924 32.694 31.823 -0.088 0.000 1.047 695 V HN 0.947 nan 8.190 nan 0.000 0.478 696 T N -0.495 113.987 114.554 -0.120 0.000 3.148 696 T HA 0.124 4.477 4.350 0.004 0.000 0.253 696 T C 0.559 175.227 174.700 -0.054 0.000 1.134 696 T CA 0.227 62.272 62.100 -0.091 0.000 1.051 696 T CB -0.477 68.244 68.868 -0.245 0.000 0.959 696 T HN 0.625 nan 8.240 nan 0.000 0.525 697 V N 2.535 122.398 119.914 -0.086 0.000 2.509 697 V HA 0.376 4.498 4.120 0.004 0.000 0.297 697 V C 1.810 177.848 176.094 -0.095 0.000 1.014 697 V CA 0.951 63.209 62.300 -0.070 0.000 1.127 697 V CB -0.615 31.166 31.823 -0.069 0.000 0.925 697 V HN 0.813 nan 8.190 nan 0.000 0.480 698 G N 4.807 113.571 108.800 -0.060 0.000 2.186 698 G HA2 -0.311 3.651 3.960 0.004 0.000 0.266 698 G HA3 -0.311 3.651 3.960 0.004 0.000 0.266 698 G C 0.591 175.354 174.900 -0.229 0.000 0.982 698 G CA 0.558 45.593 45.100 -0.109 0.000 0.670 698 G HN 0.687 nan 8.290 nan 0.000 0.533 699 N N 0.818 119.361 118.700 -0.261 0.000 2.320 699 N HA 0.335 5.078 4.740 0.004 0.000 0.237 699 N C 0.845 176.046 175.510 -0.515 0.000 1.129 699 N CA 0.747 53.472 53.050 -0.541 0.000 0.854 699 N CB 0.558 38.731 38.487 -0.522 0.000 1.083 699 N HN 0.572 nan 8.380 nan 0.000 0.504 700 G N 0.208 108.760 108.800 -0.413 0.000 2.372 700 G HA2 0.534 4.496 3.960 0.004 0.000 0.323 700 G HA3 0.534 4.496 3.960 0.004 0.000 0.323 700 G C -0.090 174.504 174.900 -0.510 0.000 1.152 700 G CA -0.348 44.252 45.100 -0.834 0.000 0.906 700 G HN 0.000 nan 8.290 nan 0.000 0.460 701 V N 0.456 120.026 119.914 -0.573 0.000 3.102 701 V HA 1.070 5.192 4.120 0.004 0.000 0.312 701 V C 0.521 176.489 176.094 -0.210 0.000 1.135 701 V CA 0.069 62.209 62.300 -0.266 0.000 1.022 701 V CB 1.330 33.122 31.823 -0.053 0.000 1.056 701 V HN 1.767 nan 8.190 nan 0.000 0.436 702 G N 1.079 109.837 108.800 -0.070 0.000 2.530 702 G HA2 0.514 4.476 3.960 0.004 0.000 0.081 702 G HA3 0.514 4.476 3.960 0.004 0.000 0.081 702 G C -1.138 173.797 174.900 0.059 0.000 1.062 702 G CA 0.285 45.351 45.100 -0.058 0.000 1.108 702 G HN 2.199 nan 8.290 nan 0.000 0.466 703 F N -2.079 117.686 119.950 -0.309 0.000 2.799 703 F HA 0.803 5.332 4.527 0.004 0.000 0.316 703 F C -2.033 173.550 175.800 -0.361 0.000 1.155 703 F CA -1.805 56.058 58.000 -0.229 0.000 0.916 703 F CB 0.924 39.826 39.000 -0.163 0.000 1.294 703 F HN 0.479 nan 8.300 nan 0.000 0.447 704 F N 2.119 122.089 119.950 0.032 0.000 2.495 704 F HA 0.716 5.245 4.527 0.004 0.000 0.327 704 F C -0.592 175.256 175.800 0.080 0.000 1.103 704 F CA -0.897 57.071 58.000 -0.054 0.000 0.949 704 F CB 2.094 41.030 39.000 -0.107 0.000 1.142 704 F HN 0.393 nan 8.300 nan 0.000 0.457 705 L N 5.289 126.661 121.223 0.248 0.000 2.294 705 L HA 0.603 4.946 4.340 0.004 0.000 0.283 705 L C -0.609 176.455 176.870 0.323 0.000 1.015 705 L CA -0.646 54.367 54.840 0.288 0.000 0.831 705 L CB 0.959 43.164 42.059 0.244 0.000 1.217 705 L HN 0.553 nan 8.230 nan 0.000 0.420 706 R N 3.860 124.465 120.500 0.175 0.000 2.621 706 R HA 0.510 4.853 4.340 0.004 0.000 0.292 706 R C -2.771 173.285 176.300 -0.406 0.000 0.969 706 R CA -2.037 54.037 56.100 -0.042 0.000 0.887 706 R CB 2.173 32.426 30.300 -0.079 0.000 1.180 706 R HN 0.260 nan 8.270 nan 0.000 0.450 707 P HA -0.017 nan 4.420 nan 0.000 0.271 707 P C -1.316 175.858 177.300 -0.209 0.000 1.216 707 P CA 0.114 62.684 63.100 -0.883 0.000 0.771 707 P CB 0.499 32.042 31.700 -0.261 0.000 0.864 708 Y N 3.614 123.737 120.300 -0.295 0.000 2.400 708 Y HA 0.198 4.750 4.550 0.004 0.000 0.335 708 Y C 0.291 176.096 175.900 -0.158 0.000 1.066 708 Y CA -0.450 57.519 58.100 -0.217 0.000 1.285 708 Y CB 0.375 38.636 38.460 -0.332 0.000 1.103 708 Y HN 0.385 nan 8.280 nan 0.000 0.490 709 N N 3.363 121.838 118.700 -0.374 0.000 2.753 709 N HA -0.322 4.421 4.740 0.004 0.000 0.251 709 N C 0.516 175.997 175.510 -0.048 0.000 1.097 709 N CA 1.621 54.529 53.050 -0.237 0.000 0.786 709 N CB -1.643 36.606 38.487 -0.398 0.000 1.137 709 N HN 0.795 nan 8.380 nan 0.000 0.566 710 F N 0.281 120.130 119.950 -0.167 0.000 2.098 710 F HA 0.122 4.652 4.527 0.004 0.000 0.294 710 F C 1.045 176.658 175.800 -0.311 0.000 1.107 710 F CA 1.074 58.920 58.000 -0.256 0.000 1.234 710 F CB 0.081 38.821 39.000 -0.433 0.000 1.002 710 F HN -0.028 nan 8.300 nan 0.000 0.472 711 F N 0.604 120.652 119.950 0.162 0.000 2.348 711 F HA 0.192 4.722 4.527 0.004 0.000 0.308 711 F C 1.486 177.304 175.800 0.030 0.000 1.175 711 F CA -0.648 57.403 58.000 0.085 0.000 1.080 711 F CB 0.072 39.190 39.000 0.197 0.000 1.341 711 F HN -0.198 nan 8.300 nan 0.000 0.518 712 D N -0.596 119.951 120.400 0.245 0.000 2.346 712 D HA 0.042 4.684 4.640 0.004 0.000 0.206 712 D C 0.038 176.540 176.300 0.336 0.000 1.001 712 D CA 0.674 54.756 54.000 0.136 0.000 0.871 712 D CB 0.208 40.958 40.800 -0.083 0.000 0.943 712 D HN 0.696 nan 8.370 nan 0.000 0.518 713 E N -0.123 120.251 120.200 0.290 0.000 2.429 713 E HA 0.177 4.529 4.350 0.004 0.000 0.280 713 E C -1.494 175.183 176.600 0.129 0.000 1.068 713 E CA -0.884 55.627 56.400 0.186 0.000 0.837 713 E CB 0.957 30.711 29.700 0.090 0.000 1.357 713 E HN -0.284 nan 8.360 nan 0.000 0.455 714 D N 1.467 121.891 120.400 0.040 0.000 2.451 714 D HA 0.075 4.717 4.640 0.004 0.000 0.254 714 D C -1.505 174.795 176.300 -0.000 0.000 1.204 714 D CA -1.584 52.405 54.000 -0.019 0.000 0.896 714 D CB 1.128 41.926 40.800 -0.005 0.000 1.136 714 D HN 0.138 nan 8.370 nan 0.000 0.499 715 P HA -0.183 nan 4.420 nan 0.000 0.218 715 P C 1.214 178.611 177.300 0.162 0.000 1.146 715 P CA 1.203 64.314 63.100 0.018 0.000 0.813 715 P CB -0.024 31.588 31.700 -0.147 0.000 0.778 716 S N -1.673 114.085 115.700 0.095 0.000 2.507 716 S HA -0.153 4.319 4.470 0.004 0.000 0.235 716 S C 1.749 176.397 174.600 0.081 0.000 0.988 716 S CA 0.194 58.456 58.200 0.103 0.000 0.944 716 S CB -1.516 61.739 63.200 0.091 0.000 0.762 716 S HN 0.034 nan 8.310 nan 0.000 0.526 717 F N 1.931 121.826 119.950 -0.092 0.000 2.171 717 F HA 0.021 4.551 4.527 0.005 0.000 0.300 717 F C 1.362 177.002 175.800 -0.267 0.000 1.090 717 F CA 0.956 58.815 58.000 -0.234 0.000 1.293 717 F CB -0.501 38.258 39.000 -0.400 0.000 1.013 717 F HN 0.271 nan 8.300 nan 0.000 0.486 718 Y N -0.258 119.960 120.300 -0.137 0.000 2.471 718 Y HA 0.165 4.717 4.550 0.003 0.000 0.286 718 Y C 1.425 177.236 175.900 -0.148 0.000 1.188 718 Y CA 0.104 58.082 58.100 -0.203 0.000 1.286 718 Y CB -0.455 37.975 38.460 -0.051 0.000 1.072 718 Y HN -0.078 nan 8.280 nan 0.000 0.517 719 S N 0.545 116.244 115.700 -0.003 0.000 2.562 719 S HA 0.257 4.729 4.470 0.004 0.000 0.281 719 S C 1.452 176.046 174.600 -0.010 0.000 1.333 719 S CA 0.117 58.327 58.200 0.016 0.000 1.052 719 S CB 1.008 64.230 63.200 0.037 0.000 0.884 719 S HN 0.458 nan 8.310 nan 0.000 0.506 720 A N 3.597 126.421 122.820 0.007 0.000 2.121 720 A HA 0.023 4.346 4.320 0.004 0.000 0.218 720 A C 1.272 178.869 177.584 0.021 0.000 1.154 720 A CA 1.204 53.245 52.037 0.006 0.000 0.679 720 A CB -0.196 18.807 19.000 0.006 0.000 0.795 720 A HN 0.856 nan 8.150 nan 0.000 0.458 721 D N -0.896 119.525 120.400 0.035 0.000 2.433 721 D HA 0.096 4.739 4.640 0.004 0.000 0.211 721 D C 0.692 177.037 176.300 0.074 0.000 1.114 721 D CA 0.359 54.393 54.000 0.057 0.000 0.837 721 D CB 0.191 41.030 40.800 0.065 0.000 0.984 721 D HN 0.343 nan 8.370 nan 0.000 0.505 722 S N 0.572 116.305 115.700 0.054 0.000 2.572 722 S HA 0.271 4.744 4.470 0.004 0.000 0.279 722 S C 0.072 174.737 174.600 0.109 0.000 1.341 722 S CA -0.108 58.131 58.200 0.064 0.000 1.043 722 S CB 0.564 63.762 63.200 -0.003 0.000 0.887 722 S HN 0.043 nan 8.310 nan 0.000 0.516 723 I N 3.069 123.741 120.570 0.170 0.000 2.689 723 I HA 0.560 4.732 4.170 0.004 0.000 0.299 723 I C -1.246 175.059 176.117 0.313 0.000 1.059 723 I CA -0.782 60.677 61.300 0.265 0.000 1.055 723 I CB 2.135 40.338 38.000 0.337 0.000 1.243 723 I HN 0.819 nan 8.210 nan 0.000 0.425 724 Y N 6.866 127.286 120.300 0.200 0.000 2.521 724 Y HA 0.667 5.219 4.550 0.003 0.000 0.332 724 Y C -1.816 174.235 175.900 0.253 0.000 1.121 724 Y CA -1.193 56.967 58.100 0.099 0.000 1.037 724 Y CB 1.610 40.093 38.460 0.038 0.000 1.330 724 Y HN 0.436 nan 8.280 nan 0.000 0.452 725 F N 2.189 121.701 119.950 -0.730 0.000 2.719 725 F HA 0.794 5.323 4.527 0.004 0.000 0.309 725 F C -1.646 173.853 175.800 -0.501 0.000 1.138 725 F CA -1.475 56.229 58.000 -0.494 0.000 0.943 725 F CB 1.190 40.111 39.000 -0.131 0.000 1.304 725 F HN 0.457 nan 8.300 nan 0.000 0.445 726 R N -0.015 120.480 120.500 -0.008 0.000 2.875 726 R HA 0.631 4.973 4.340 0.004 0.000 0.251 726 R C 0.928 177.343 176.300 0.192 0.000 1.123 726 R CA -0.762 55.385 56.100 0.079 0.000 1.064 726 R CB 1.280 31.645 30.300 0.109 0.000 1.205 726 R HN 0.994 nan 8.270 nan 0.000 0.503 727 G N 0.328 109.233 108.800 0.175 0.000 2.484 727 G HA2 -0.236 3.726 3.960 0.004 0.000 0.218 727 G HA3 -0.236 3.726 3.960 0.004 0.000 0.218 727 G C 0.624 175.586 174.900 0.103 0.000 1.130 727 G CA 0.849 46.045 45.100 0.159 0.000 0.784 727 G HN 0.756 nan 8.290 nan 0.000 0.543 728 D N -0.319 120.133 120.400 0.087 0.000 2.289 728 D HA 0.018 4.660 4.640 0.004 0.000 0.207 728 D C 1.428 177.763 176.300 0.058 0.000 0.966 728 D CA 0.242 54.278 54.000 0.059 0.000 0.868 728 D CB -0.210 40.619 40.800 0.049 0.000 0.943 728 D HN 0.327 nan 8.370 nan 0.000 0.514 729 Q N -0.117 119.730 119.800 0.077 0.000 2.407 729 Q HA 0.177 4.519 4.340 0.004 0.000 0.214 729 Q C -0.662 175.357 176.000 0.030 0.000 1.043 729 Q CA -0.429 55.414 55.803 0.067 0.000 0.983 729 Q CB 0.725 29.524 28.738 0.102 0.000 1.211 729 Q HN 0.007 nan 8.270 nan 0.000 0.564 730 D N -0.160 120.242 120.400 0.003 0.000 2.456 730 D HA 0.236 4.879 4.640 0.004 0.000 0.219 730 D C 0.135 176.363 176.300 -0.121 0.000 1.126 730 D CA -0.112 53.861 54.000 -0.045 0.000 0.890 730 D CB 0.879 41.662 40.800 -0.028 0.000 1.025 730 D HN 0.597 nan 8.370 nan 0.000 0.511 731 A N 2.735 125.413 122.820 -0.237 0.000 2.076 731 A HA -0.027 4.296 4.320 0.004 0.000 0.220 731 A C 1.830 179.186 177.584 -0.380 0.000 1.160 731 A CA 1.506 53.214 52.037 -0.549 0.000 0.653 731 A CB -0.126 18.404 19.000 -0.782 0.000 0.801 731 A HN 0.550 nan 8.150 nan 0.000 0.455 732 G N -1.671 107.001 108.800 -0.213 0.000 3.126 732 G HA2 0.451 4.414 3.960 0.004 0.000 0.224 732 G HA3 0.451 4.414 3.960 0.004 0.000 0.224 732 G C 0.467 175.316 174.900 -0.086 0.000 1.142 732 G CA 0.596 45.612 45.100 -0.140 0.000 0.759 732 G HN 0.729 nan 8.290 nan 0.000 0.550 733 A N -0.583 122.193 122.820 -0.073 0.000 2.327 733 A HA 0.443 4.765 4.320 0.004 0.000 0.283 733 A C 1.437 179.009 177.584 -0.020 0.000 1.127 733 A CA -0.080 51.936 52.037 -0.035 0.000 0.810 733 A CB 0.775 19.763 19.000 -0.019 0.000 1.066 733 A HN 0.345 nan 8.150 nan 0.000 0.492 734 c N 1.626 120.222 118.600 -0.006 0.000 2.457 734 c HA -0.071 4.501 4.570 0.004 0.000 0.278 734 c C 2.334 176.438 174.090 0.023 0.000 1.309 734 c CA 1.531 57.864 56.329 0.008 0.000 1.735 734 c CB -1.464 41.052 42.510 0.010 0.000 1.992 734 c HN 0.999 nan 8.230 nan 0.000 0.493 735 E N 0.363 120.578 120.200 0.024 0.000 2.204 735 E HA -0.125 4.227 4.350 0.004 0.000 0.195 735 E C 1.780 178.412 176.600 0.053 0.000 0.990 735 E CA 1.755 58.176 56.400 0.035 0.000 0.821 735 E CB -0.217 29.501 29.700 0.031 0.000 0.750 735 E HN 0.506 nan 8.360 nan 0.000 0.477 736 V N 0.720 120.665 119.914 0.053 0.000 2.341 736 V HA -0.047 4.076 4.120 0.004 0.000 0.240 736 V C 0.753 176.915 176.094 0.112 0.000 1.035 736 V CA 1.208 63.559 62.300 0.085 0.000 1.033 736 V CB -0.357 31.503 31.823 0.062 0.000 0.678 736 V HN 0.279 nan 8.190 nan 0.000 0.464 737 N N 0.990 119.730 118.700 0.067 0.000 2.569 737 N HA 0.289 5.031 4.740 0.004 0.000 0.254 737 N C -2.137 173.408 175.510 0.058 0.000 1.004 737 N CA -2.171 50.930 53.050 0.086 0.000 0.904 737 N CB 1.835 40.322 38.487 0.001 0.000 1.165 737 N HN 0.018 nan 8.380 nan 0.000 0.513 738 P HA -0.096 nan 4.420 nan 0.000 0.240 738 P C 0.732 178.064 177.300 0.052 0.000 1.186 738 P CA 0.354 63.490 63.100 0.059 0.000 0.755 738 P CB 0.400 32.139 31.700 0.065 0.000 0.870 739 L N -0.785 120.470 121.223 0.053 0.000 2.515 739 L HA 0.336 4.679 4.340 0.004 0.000 0.223 739 L C 2.266 179.142 176.870 0.011 0.000 1.079 739 L CA 0.742 55.607 54.840 0.041 0.000 0.857 739 L CB -0.999 41.097 42.059 0.062 0.000 1.050 739 L HN -0.137 nan 8.230 nan 0.000 0.476 740 A N -2.183 120.632 122.820 -0.009 0.000 2.209 740 A HA -0.132 4.191 4.320 0.004 0.000 0.212 740 A C 2.198 179.779 177.584 -0.005 0.000 1.158 740 A CA 1.143 53.164 52.037 -0.025 0.000 0.742 740 A CB -1.047 17.922 19.000 -0.053 0.000 0.790 740 A HN 0.500 nan 8.150 nan 0.000 0.472 741 c N -1.593 117.013 118.600 0.010 0.000 2.780 741 c HA 0.257 4.830 4.570 0.004 0.000 0.267 741 c C 2.196 176.301 174.090 0.026 0.000 1.266 741 c CA 0.415 56.755 56.329 0.018 0.000 1.709 741 c CB -1.054 41.470 42.510 0.023 0.000 1.975 741 c HN 0.638 nan 8.230 nan 0.000 0.582 742 L N 2.929 124.169 121.223 0.028 0.000 2.109 742 L HA 0.097 4.439 4.340 0.004 0.000 0.207 742 L C -0.420 176.478 176.870 0.046 0.000 1.086 742 L CA 2.191 57.053 54.840 0.037 0.000 0.760 742 L CB -1.513 40.567 42.059 0.035 0.000 0.910 742 L HN 0.128 nan 8.230 nan 0.000 0.437 743 P HA -0.262 nan 4.420 nan 0.000 0.215 743 P C 1.234 178.561 177.300 0.046 0.000 1.157 743 P CA 1.962 65.087 63.100 0.041 0.000 0.874 743 P CB -0.243 31.470 31.700 0.023 0.000 0.790 744 Q N -0.714 119.108 119.800 0.036 0.000 2.269 744 Q HA 0.100 4.443 4.340 0.004 0.000 0.201 744 Q C 2.091 178.119 176.000 0.047 0.000 0.946 744 Q CA 1.231 57.056 55.803 0.036 0.000 0.877 744 Q CB -0.794 27.958 28.738 0.024 0.000 0.963 744 Q HN 0.104 nan 8.270 nan 0.000 0.472 745 A N 1.427 124.278 122.820 0.052 0.000 2.016 745 A HA 0.279 4.601 4.320 0.004 0.000 0.217 745 A C 2.007 179.647 177.584 0.093 0.000 1.162 745 A CA 0.960 53.033 52.037 0.061 0.000 0.662 745 A CB -0.193 18.837 19.000 0.050 0.000 0.812 745 A HN 0.428 nan 8.150 nan 0.000 0.450 746 A N -0.665 122.224 122.820 0.114 0.000 2.532 746 A HA 0.606 4.928 4.320 0.004 0.000 0.273 746 A C 1.192 178.887 177.584 0.185 0.000 1.342 746 A CA 0.511 52.671 52.037 0.204 0.000 0.929 746 A CB -0.658 18.479 19.000 0.227 0.000 1.051 746 A HN 0.803 nan 8.150 nan 0.000 0.521 747 A N 0.028 122.913 122.820 0.108 0.000 2.648 747 A HA 0.404 4.727 4.320 0.004 0.000 0.269 747 A C 0.771 178.382 177.584 0.045 0.000 1.392 747 A CA 0.270 52.345 52.037 0.063 0.000 1.019 747 A CB -1.689 17.336 19.000 0.042 0.000 1.009 747 A HN 1.022 nan 8.150 nan 0.000 0.565 748 c N -1.326 117.313 118.600 0.065 0.000 2.391 748 c HA 0.858 5.430 4.570 0.004 0.000 0.339 748 c C 0.583 174.633 174.090 -0.067 0.000 1.205 748 c CA -0.653 55.694 56.329 0.029 0.000 1.937 748 c CB 0.775 43.335 42.510 0.084 0.000 2.341 748 c HN 0.817 nan 8.230 nan 0.000 0.516 749 A N 4.785 127.560 122.820 -0.075 0.000 2.350 749 A HA 0.630 4.952 4.320 0.004 0.000 0.293 749 A C -1.823 175.674 177.584 -0.144 0.000 1.231 749 A CA -0.887 51.069 52.037 -0.134 0.000 0.883 749 A CB -0.463 18.486 19.000 -0.084 0.000 1.133 749 A HN 0.877 nan 8.150 nan 0.000 0.533 750 P HA 0.061 nan 4.420 nan 0.000 0.267 750 P C -0.848 176.409 177.300 -0.071 0.000 1.209 750 P CA 0.022 62.997 63.100 -0.207 0.000 0.763 750 P CB 0.639 32.074 31.700 -0.442 0.000 0.816 751 D N 4.005 124.416 120.400 0.017 0.000 2.359 751 D HA 0.139 4.781 4.640 0.004 0.000 0.250 751 D C 0.173 176.524 176.300 0.084 0.000 1.264 751 D CA 0.207 54.235 54.000 0.046 0.000 0.911 751 D CB 0.596 41.437 40.800 0.067 0.000 1.056 751 D HN 0.295 nan 8.370 nan 0.000 0.499 752 L N 5.252 126.521 121.223 0.077 0.000 2.262 752 L HA 0.286 4.628 4.340 0.004 0.000 0.288 752 L C -1.679 175.320 176.870 0.215 0.000 1.035 752 L CA -1.696 53.246 54.840 0.172 0.000 0.820 752 L CB 0.909 42.989 42.059 0.034 0.000 1.204 752 L HN 0.105 nan 8.230 nan 0.000 0.424 753 P HA 0.104 nan 4.420 nan 0.000 0.267 753 P C -0.359 177.078 177.300 0.228 0.000 1.200 753 P CA -0.437 62.769 63.100 0.176 0.000 0.772 753 P CB 0.769 32.539 31.700 0.117 0.000 0.855 754 A N 2.978 125.891 122.820 0.157 0.000 2.511 754 A HA 0.120 4.443 4.320 0.004 0.000 0.242 754 A C 0.022 177.718 177.584 0.187 0.000 1.069 754 A CA -0.353 51.793 52.037 0.181 0.000 0.763 754 A CB -0.652 18.419 19.000 0.118 0.000 1.001 754 A HN 0.559 nan 8.150 nan 0.000 0.498 755 F N 3.712 123.742 119.950 0.134 0.000 2.578 755 F HA 0.355 4.884 4.527 0.004 0.000 0.381 755 F C 0.890 176.704 175.800 0.023 0.000 1.069 755 F CA 1.193 59.240 58.000 0.078 0.000 1.231 755 F CB 0.491 39.580 39.000 0.148 0.000 1.086 755 F HN 0.624 nan 8.300 nan 0.000 0.564 756 S N 6.018 121.315 115.700 -0.670 0.000 2.568 756 S HA 0.416 4.888 4.470 0.004 0.000 0.293 756 S C -1.341 172.823 174.600 -0.728 0.000 1.089 756 S CA -0.824 57.090 58.200 -0.477 0.000 0.945 756 S CB 1.624 64.670 63.200 -0.257 0.000 1.077 756 S HN 0.846 nan 8.310 nan 0.000 0.485 757 H N 0.622 119.438 119.070 -0.422 0.000 2.524 757 H HA 0.407 4.965 4.556 0.004 0.000 0.353 757 H C 1.319 176.504 175.328 -0.239 0.000 1.136 757 H CA -0.147 55.702 56.048 -0.330 0.000 1.193 757 H CB 1.801 31.509 29.762 -0.090 0.000 1.558 757 H HN 0.914 nan 8.280 nan 0.000 0.515 758 G N 2.477 110.752 108.800 -0.874 0.000 2.479 758 G HA2 0.149 4.111 3.960 0.004 0.000 0.220 758 G HA3 0.149 4.111 3.960 0.004 0.000 0.220 758 G C 0.710 175.353 174.900 -0.429 0.000 1.115 758 G CA 0.751 45.509 45.100 -0.570 0.000 0.757 758 G HN 1.060 nan 8.290 nan 0.000 0.560 759 G N -1.722 106.761 108.800 -0.528 0.000 2.549 759 G HA2 0.133 4.096 3.960 0.004 0.000 0.404 759 G HA3 0.133 4.096 3.960 0.004 0.000 0.404 759 G C -0.764 173.824 174.900 -0.520 0.000 1.292 759 G CA -0.616 44.330 45.100 -0.256 0.000 0.935 759 G HN 0.526 nan 8.290 nan 0.000 0.512 760 F N 0.149 120.153 119.950 0.089 0.000 2.588 760 F HA 0.683 5.212 4.527 0.004 0.000 0.310 760 F C 1.211 177.041 175.800 0.050 0.000 1.082 760 F CA 0.047 58.096 58.000 0.081 0.000 0.929 760 F CB 2.433 41.487 39.000 0.090 0.000 1.254 760 F HN 0.825 nan 8.300 nan 0.000 0.455 761 S N 0.702 116.529 115.700 0.212 0.000 2.583 761 S HA 0.672 5.144 4.470 0.004 0.000 0.203 761 S C 0.441 175.085 174.600 0.074 0.000 0.952 761 S CA 0.915 59.181 58.200 0.111 0.000 0.887 761 S CB -0.214 63.025 63.200 0.065 0.000 0.857 761 S HN 1.233 nan 8.310 nan 0.000 0.611 762 H N 0.000 119.099 119.070 0.049 0.000 2.539 762 H HA 0.000 4.558 4.556 0.004 0.000 0.296 762 H CA 0.000 nan 56.048 nan 0.000 1.023 762 H CB 0.000 nan 29.762 nan 0.000 1.292 762 H HN 0.000 nan 8.280 nan 0.000 0.496