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 2ez0_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGA GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR QGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLASA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.292 176.300 -0.014 0.000 0.893 18 R CA 0.000 56.092 56.100 -0.014 0.000 0.921 18 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 19 R N 2.141 122.634 120.500 -0.011 0.000 2.133 19 R HA -0.151 4.188 4.340 -0.002 0.000 0.247 19 R C 2.110 178.403 176.300 -0.012 0.000 1.151 19 R CA 2.611 58.705 56.100 -0.010 0.000 0.971 19 R CB -0.454 29.841 30.300 -0.008 0.000 0.866 19 R HN 0.488 nan 8.270 nan 0.000 0.447 20 Q N 0.069 119.861 119.800 -0.014 0.000 2.002 20 Q HA -0.229 4.111 4.340 -0.002 0.000 0.204 20 Q C 2.099 178.087 176.000 -0.020 0.000 0.988 20 Q CA 2.191 57.984 55.803 -0.016 0.000 0.843 20 Q CB -0.351 28.375 28.738 -0.019 0.000 0.908 20 Q HN 0.532 nan 8.270 nan 0.000 0.420 21 L N 0.548 121.757 121.223 -0.024 0.000 1.997 21 L HA -0.301 4.038 4.340 -0.002 0.000 0.227 21 L C 2.348 179.206 176.870 -0.020 0.000 1.087 21 L CA 2.118 56.941 54.840 -0.027 0.000 0.797 21 L CB -0.535 41.508 42.059 -0.027 0.000 0.902 21 L HN 0.435 nan 8.230 nan 0.000 0.441 22 I N -0.570 119.991 120.570 -0.016 0.000 2.236 22 I HA -0.385 3.784 4.170 -0.002 0.000 0.249 22 I C 2.796 178.907 176.117 -0.011 0.000 1.102 22 I CA 1.628 62.920 61.300 -0.012 0.000 1.365 22 I CB -0.457 37.537 38.000 -0.010 0.000 1.051 22 I HN 0.365 nan 8.210 nan 0.000 0.420 23 R N 0.240 120.734 120.500 -0.011 0.000 2.073 23 R HA -0.128 4.211 4.340 -0.002 0.000 0.229 23 R C 2.373 178.668 176.300 -0.007 0.000 1.120 23 R CA 1.189 57.285 56.100 -0.008 0.000 0.967 23 R CB -0.141 30.155 30.300 -0.007 0.000 0.862 23 R HN 0.471 nan 8.270 nan 0.000 0.436 24 Q N 0.336 120.130 119.800 -0.011 0.000 2.119 24 Q HA -0.119 4.220 4.340 -0.002 0.000 0.201 24 Q C 2.227 178.223 176.000 -0.007 0.000 0.972 24 Q CA 1.057 56.854 55.803 -0.010 0.000 0.847 24 Q CB -0.023 28.701 28.738 -0.023 0.000 0.903 24 Q HN 0.341 nan 8.270 nan 0.000 0.433 25 L N 0.493 121.710 121.223 -0.011 0.000 1.971 25 L HA -0.233 4.106 4.340 -0.002 0.000 0.215 25 L C 2.150 179.017 176.870 -0.005 0.000 1.072 25 L CA 1.267 56.102 54.840 -0.008 0.000 0.758 25 L CB -0.525 41.528 42.059 -0.010 0.000 0.889 25 L HN 0.318 nan 8.230 nan 0.000 0.433 26 L N -0.529 120.691 121.223 -0.006 0.000 2.642 26 L HA -0.155 4.184 4.340 -0.002 0.000 0.236 26 L C 1.478 178.346 176.870 -0.003 0.000 1.169 26 L CA 0.403 55.240 54.840 -0.005 0.000 0.851 26 L CB -0.329 41.727 42.059 -0.005 0.000 0.968 26 L HN 0.248 nan 8.230 nan 0.000 0.453 27 E N -0.473 119.726 120.200 -0.000 0.000 2.583 27 E HA 0.128 4.477 4.350 -0.002 0.000 0.213 27 E C 0.480 177.085 176.600 0.008 0.000 0.989 27 E CA -0.182 56.220 56.400 0.003 0.000 0.991 27 E CB 0.404 30.107 29.700 0.006 0.000 1.040 27 E HN 0.153 nan 8.360 nan 0.000 0.481 28 R N 0.854 121.357 120.500 0.006 0.000 2.861 28 R HA -0.029 4.310 4.340 -0.002 0.000 0.268 28 R C -0.098 176.203 176.300 0.002 0.000 1.027 28 R CA 0.471 56.576 56.100 0.009 0.000 1.163 28 R CB 0.190 30.492 30.300 0.004 0.000 1.060 28 R HN 0.042 nan 8.270 nan 0.000 0.483 29 D N 1.140 121.542 120.400 0.003 0.000 2.706 29 D HA -0.178 4.461 4.640 -0.002 0.000 0.230 29 D C -1.068 175.225 176.300 -0.011 0.000 1.184 29 D CA 1.356 55.349 54.000 -0.011 0.000 0.628 29 D CB -0.408 40.374 40.800 -0.030 0.000 1.019 29 D HN 0.324 nan 8.370 nan 0.000 0.415 30 K N 0.875 121.275 120.400 -0.000 0.000 2.484 30 K HA 0.269 4.588 4.320 -0.002 0.000 0.226 30 K C -0.422 176.180 176.600 0.004 0.000 1.031 30 K CA -0.443 55.844 56.287 -0.000 0.000 1.026 30 K CB 1.232 33.733 32.500 0.003 0.000 1.412 30 K HN -0.035 nan 8.250 nan 0.000 0.492 31 T N 2.760 117.314 114.554 0.001 0.000 2.867 31 T HA 0.319 4.668 4.350 -0.002 0.000 0.282 31 T C -2.381 172.323 174.700 0.007 0.000 1.000 31 T CA -1.717 60.386 62.100 0.004 0.000 1.042 31 T CB 1.329 70.198 68.868 0.002 0.000 0.973 31 T HN 0.187 nan 8.240 nan 0.000 0.465 32 P HA 0.123 nan 4.420 nan 0.000 0.263 32 P C 0.992 178.304 177.300 0.020 0.000 1.195 32 P CA -0.265 62.842 63.100 0.011 0.000 0.762 32 P CB 0.497 32.204 31.700 0.011 0.000 0.799 33 L N 4.073 125.306 121.223 0.017 0.000 2.013 33 L HA -0.293 4.046 4.340 -0.002 0.000 0.212 33 L C 2.083 178.991 176.870 0.062 0.000 1.073 33 L CA 2.265 57.124 54.840 0.032 0.000 0.753 33 L CB -0.731 41.334 42.059 0.011 0.000 0.890 33 L HN 0.454 nan 8.230 nan 0.000 0.432 34 A N 0.291 123.135 122.820 0.040 0.000 1.903 34 A HA -0.291 4.028 4.320 -0.002 0.000 0.219 34 A C 2.154 179.800 177.584 0.103 0.000 1.191 34 A CA 2.392 54.467 52.037 0.063 0.000 0.638 34 A CB -1.023 17.989 19.000 0.020 0.000 0.823 34 A HN 0.570 nan 8.150 nan 0.000 0.451 35 I N -0.422 120.187 120.570 0.064 0.000 2.069 35 I HA -0.330 3.839 4.170 -0.002 0.000 0.237 35 I C 2.441 178.593 176.117 0.059 0.000 1.053 35 I CA 1.819 63.152 61.300 0.054 0.000 1.311 35 I CB -0.569 37.452 38.000 0.034 0.000 1.030 35 I HN 0.331 nan 8.210 nan 0.000 0.398 36 L N -0.362 120.898 121.223 0.060 0.000 2.137 36 L HA -0.278 4.061 4.340 -0.002 0.000 0.213 36 L C 2.470 179.383 176.870 0.073 0.000 1.085 36 L CA 1.445 56.319 54.840 0.057 0.000 0.760 36 L CB -0.623 41.470 42.059 0.057 0.000 0.893 36 L HN 0.292 nan 8.230 nan 0.000 0.434 37 F N -0.892 119.045 119.950 -0.022 0.000 2.615 37 F HA -0.049 4.477 4.527 -0.002 0.000 0.297 37 F C 2.242 178.022 175.800 -0.033 0.000 1.124 37 F CA 0.645 58.625 58.000 -0.034 0.000 1.451 37 F CB 0.128 39.092 39.000 -0.060 0.000 1.103 37 F HN -0.047 nan 8.300 nan 0.000 0.569 38 M N -0.041 119.520 119.600 -0.065 0.000 2.248 38 M HA 0.094 4.573 4.480 -0.002 0.000 0.265 38 M C 2.604 178.826 176.300 -0.130 0.000 1.079 38 M CA 1.237 56.476 55.300 -0.101 0.000 1.150 38 M CB -1.610 31.014 32.600 0.040 0.000 1.366 38 M HN 0.232 nan 8.290 nan 0.000 0.433 39 A N 0.780 123.555 122.820 -0.076 0.000 1.903 39 A HA -0.188 4.131 4.320 -0.002 0.000 0.219 39 A C 2.366 179.889 177.584 -0.103 0.000 1.191 39 A CA 2.701 54.704 52.037 -0.057 0.000 0.638 39 A CB -1.148 17.842 19.000 -0.016 0.000 0.823 39 A HN 0.497 nan 8.150 nan 0.000 0.451 40 A N -0.940 121.778 122.820 -0.169 0.000 2.024 40 A HA 0.027 4.346 4.320 -0.002 0.000 0.220 40 A C 2.155 179.610 177.584 -0.215 0.000 1.164 40 A CA 1.925 53.847 52.037 -0.192 0.000 0.643 40 A CB -0.730 18.120 19.000 -0.251 0.000 0.806 40 A HN 0.534 nan 8.150 nan 0.000 0.451 41 V N -1.003 118.747 119.914 -0.275 0.000 2.535 41 V HA -0.134 3.985 4.120 -0.002 0.000 0.246 41 V C 2.453 178.483 176.094 -0.106 0.000 1.045 41 V CA 1.378 63.564 62.300 -0.190 0.000 1.058 41 V CB -0.823 30.900 31.823 -0.166 0.000 0.689 41 V HN 0.324 nan 8.190 nan 0.000 0.461 42 V N 1.620 121.478 119.914 -0.094 0.000 2.214 42 V HA -0.233 3.886 4.120 -0.002 0.000 0.245 42 V C 2.795 178.847 176.094 -0.069 0.000 1.047 42 V CA 2.590 64.845 62.300 -0.076 0.000 0.998 42 V CB -1.666 30.121 31.823 -0.060 0.000 0.633 42 V HN 0.566 nan 8.190 nan 0.000 0.446 43 G N -0.433 108.332 108.800 -0.059 0.000 2.556 43 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.220 43 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.220 43 G C 1.638 176.515 174.900 -0.039 0.000 1.156 43 G CA 2.035 47.110 45.100 -0.041 0.000 0.766 43 G HN 0.509 nan 8.290 nan 0.000 0.583 44 T N 1.234 115.759 114.554 -0.048 0.000 2.622 44 T HA -0.116 4.233 4.350 -0.002 0.000 0.266 44 T C 2.366 177.040 174.700 -0.044 0.000 1.047 44 T CA 1.320 63.399 62.100 -0.035 0.000 1.159 44 T CB -0.328 68.515 68.868 -0.041 0.000 0.863 44 T HN 0.070 nan 8.240 nan 0.000 0.422 45 L N 0.901 122.085 121.223 -0.065 0.000 2.012 45 L HA -0.092 4.247 4.340 -0.002 0.000 0.210 45 L C 2.723 179.535 176.870 -0.098 0.000 1.073 45 L CA 1.241 56.029 54.840 -0.087 0.000 0.748 45 L CB -1.148 40.850 42.059 -0.101 0.000 0.891 45 L HN 0.122 nan 8.230 nan 0.000 0.431 46 V N -0.083 119.780 119.914 -0.086 0.000 2.278 46 V HA -0.328 3.791 4.120 -0.002 0.000 0.251 46 V C 2.532 178.587 176.094 -0.066 0.000 1.062 46 V CA 1.971 64.222 62.300 -0.082 0.000 1.038 46 V CB -1.701 30.085 31.823 -0.060 0.000 0.646 46 V HN 0.608 nan 8.190 nan 0.000 0.447 47 G N 0.682 109.458 108.800 -0.039 0.000 2.739 47 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.216 47 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.216 47 G C 1.354 176.217 174.900 -0.062 0.000 1.298 47 G CA 1.265 46.361 45.100 -0.008 0.000 0.804 47 G HN 0.357 nan 8.290 nan 0.000 0.623 48 L N 1.399 122.556 121.223 -0.110 0.000 2.137 48 L HA -0.169 4.170 4.340 -0.002 0.000 0.213 48 L C 3.258 180.007 176.870 -0.202 0.000 1.085 48 L CA 1.920 56.634 54.840 -0.209 0.000 0.760 48 L CB -1.907 40.041 42.059 -0.185 0.000 0.893 48 L HN 0.393 nan 8.230 nan 0.000 0.434 49 A N 0.431 123.150 122.820 -0.169 0.000 1.821 49 A HA -0.121 4.198 4.320 -0.002 0.000 0.215 49 A C 2.612 180.132 177.584 -0.108 0.000 1.216 49 A CA 2.203 54.118 52.037 -0.204 0.000 0.615 49 A CB -1.097 17.784 19.000 -0.198 0.000 0.862 49 A HN 0.366 nan 8.150 nan 0.000 0.450 50 A N -0.826 121.969 122.820 -0.042 0.000 1.915 50 A HA -0.166 4.153 4.320 -0.002 0.000 0.220 50 A C 2.265 179.907 177.584 0.097 0.000 1.198 50 A CA 2.502 54.577 52.037 0.063 0.000 0.647 50 A CB -1.415 17.611 19.000 0.044 0.000 0.825 50 A HN 0.554 nan 8.150 nan 0.000 0.456 51 V N -0.390 119.535 119.914 0.019 0.000 2.214 51 V HA -0.328 3.791 4.120 -0.002 0.000 0.247 51 V C 3.061 179.137 176.094 -0.030 0.000 1.051 51 V CA 2.514 64.794 62.300 -0.033 0.000 1.003 51 V CB -1.527 30.141 31.823 -0.259 0.000 0.635 51 V HN 0.734 nan 8.190 nan 0.000 0.447 52 A N -0.335 122.437 122.820 -0.080 0.000 1.881 52 A HA -0.349 3.970 4.320 -0.002 0.000 0.219 52 A C 2.129 179.828 177.584 0.191 0.000 1.215 52 A CA 2.650 54.681 52.037 -0.010 0.000 0.648 52 A CB -1.054 17.890 19.000 -0.094 0.000 0.832 52 A HN 0.559 nan 8.150 nan 0.000 0.455 53 F N 1.236 121.268 119.950 0.137 0.000 2.087 53 F HA -0.267 4.259 4.527 -0.002 0.000 0.299 53 F C 1.867 177.714 175.800 0.078 0.000 1.100 53 F CA 2.476 60.638 58.000 0.270 0.000 1.226 53 F CB -0.689 38.434 39.000 0.205 0.000 0.983 53 F HN 0.426 nan 8.300 nan 0.000 0.479 54 D N -0.396 119.993 120.400 -0.018 0.000 2.149 54 D HA -0.131 4.508 4.640 -0.002 0.000 0.201 54 D C 2.105 178.358 176.300 -0.078 0.000 0.972 54 D CA 1.062 54.978 54.000 -0.141 0.000 0.835 54 D CB -0.054 40.734 40.800 -0.020 0.000 0.966 54 D HN 0.042 nan 8.370 nan 0.000 0.476 55 K N 0.227 120.615 120.400 -0.020 0.000 2.002 55 K HA -0.024 4.296 4.320 -0.002 0.000 0.209 55 K C 2.190 178.800 176.600 0.016 0.000 1.048 55 K CA 1.286 57.570 56.287 -0.005 0.000 0.930 55 K CB -1.096 31.391 32.500 -0.020 0.000 0.714 55 K HN 0.270 nan 8.250 nan 0.000 0.438 56 G N 1.260 110.064 108.800 0.006 0.000 2.514 56 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.217 56 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.217 56 G C 1.702 176.619 174.900 0.028 0.000 1.198 56 G CA 1.444 46.561 45.100 0.028 0.000 0.780 56 G HN 0.148 nan 8.290 nan 0.000 0.565 57 V N 1.694 121.518 119.914 -0.149 0.000 2.370 57 V HA -0.243 3.876 4.120 -0.002 0.000 0.252 57 V C 3.287 179.322 176.094 -0.098 0.000 1.068 57 V CA 2.264 64.440 62.300 -0.205 0.000 1.061 57 V CB -0.982 30.587 31.823 -0.424 0.000 0.656 57 V HN 0.543 nan 8.190 nan 0.000 0.455 58 A N -1.239 121.556 122.820 -0.043 0.000 1.897 58 A HA -0.237 4.082 4.320 -0.002 0.000 0.215 58 A C 1.918 179.531 177.584 0.049 0.000 1.181 58 A CA 1.529 53.564 52.037 -0.003 0.000 0.620 58 A CB -0.841 18.170 19.000 0.019 0.000 0.821 58 A HN 0.703 nan 8.150 nan 0.000 0.443 59 W N 0.815 122.065 121.300 -0.083 0.000 2.342 59 W HA -0.177 4.482 4.660 -0.002 0.000 0.297 59 W C 1.666 178.140 176.519 -0.075 0.000 1.213 59 W CA 1.968 59.272 57.345 -0.067 0.000 1.251 59 W CB -0.239 29.184 29.460 -0.062 0.000 1.136 59 W HN 0.268 nan 8.180 nan 0.000 0.526 60 L N -0.363 120.798 121.223 -0.105 0.000 2.095 60 L HA -0.169 4.170 4.340 -0.002 0.000 0.204 60 L C 2.609 179.318 176.870 -0.268 0.000 1.080 60 L CA 1.273 55.936 54.840 -0.296 0.000 0.759 60 L CB -1.118 40.856 42.059 -0.142 0.000 0.914 60 L HN -0.051 nan 8.230 nan 0.000 0.439 61 Q N -0.124 119.577 119.800 -0.165 0.000 2.297 61 Q HA -0.224 4.115 4.340 -0.002 0.000 0.208 61 Q C 1.857 177.763 176.000 -0.157 0.000 0.981 61 Q CA 1.372 57.093 55.803 -0.135 0.000 0.876 61 Q CB -0.219 28.468 28.738 -0.085 0.000 0.921 61 Q HN 0.543 nan 8.270 nan 0.000 0.446 62 N N -0.235 118.345 118.700 -0.200 0.000 2.062 62 N HA -0.199 4.540 4.740 -0.002 0.000 0.191 62 N C 1.669 177.012 175.510 -0.278 0.000 1.042 62 N CA 0.691 53.616 53.050 -0.207 0.000 0.845 62 N CB 0.221 38.583 38.487 -0.209 0.000 1.024 62 N HN 0.064 nan 8.380 nan 0.000 0.424 63 Q N 0.997 120.525 119.800 -0.452 0.000 2.152 63 Q HA -0.088 4.251 4.340 -0.002 0.000 0.206 63 Q C 1.188 177.021 176.000 -0.278 0.000 0.985 63 Q CA 1.256 56.802 55.803 -0.428 0.000 0.863 63 Q CB -0.306 28.072 28.738 -0.601 0.000 0.904 63 Q HN 0.373 nan 8.270 nan 0.000 0.422 64 R N -0.598 119.754 120.500 -0.246 0.000 2.362 64 R HA 0.022 4.361 4.340 -0.002 0.000 0.204 64 R C 0.870 177.062 176.300 -0.179 0.000 1.088 64 R CA 0.383 56.369 56.100 -0.191 0.000 1.121 64 R CB 0.024 30.227 30.300 -0.162 0.000 0.954 64 R HN 0.259 nan 8.270 nan 0.000 0.478 65 M N -2.286 117.213 119.600 -0.168 0.000 2.724 65 M HA 0.157 4.636 4.480 -0.002 0.000 0.231 65 M C 1.975 178.204 176.300 -0.119 0.000 1.568 65 M CA 0.708 55.923 55.300 -0.143 0.000 1.153 65 M CB -1.065 31.474 32.600 -0.101 0.000 1.345 65 M HN 0.119 nan 8.290 nan 0.000 0.555 66 G N 0.300 109.029 108.800 -0.118 0.000 2.653 66 G HA2 0.138 4.097 3.960 -0.002 0.000 0.212 66 G HA3 0.138 4.097 3.960 -0.002 0.000 0.212 66 G C 1.259 176.110 174.900 -0.082 0.000 1.138 66 G CA 1.194 46.243 45.100 -0.085 0.000 0.782 66 G HN 0.509 nan 8.290 nan 0.000 0.535 67 A N -0.461 122.291 122.820 -0.115 0.000 1.999 67 A HA 0.428 4.747 4.320 -0.002 0.000 0.200 67 A C 2.132 179.657 177.584 -0.099 0.000 1.363 67 A CA -0.000 51.963 52.037 -0.123 0.000 0.844 67 A CB 0.000 18.909 19.000 -0.152 0.000 0.954 67 A HN 0.231 nan 8.150 nan 0.000 0.481 68 L N -0.416 120.712 121.223 -0.158 0.000 2.109 68 L HA -0.088 4.251 4.340 -0.002 0.000 0.207 68 L C 2.456 179.249 176.870 -0.128 0.000 1.086 68 L CA 1.113 55.812 54.840 -0.235 0.000 0.760 68 L CB -0.303 41.481 42.059 -0.459 0.000 0.910 68 L HN 0.313 nan 8.230 nan 0.000 0.437 69 V N -0.497 119.376 119.914 -0.067 0.000 2.453 69 V HA -0.292 3.827 4.120 -0.002 0.000 0.247 69 V C 2.594 178.710 176.094 0.037 0.000 1.048 69 V CA 1.719 64.014 62.300 -0.008 0.000 1.049 69 V CB -0.578 31.243 31.823 -0.003 0.000 0.672 69 V HN 0.549 nan 8.190 nan 0.000 0.457 70 H N 0.975 120.016 119.070 -0.048 0.000 2.387 70 H HA -0.112 4.443 4.556 -0.002 0.000 0.299 70 H C 1.814 177.130 175.328 -0.021 0.000 1.090 70 H CA 2.015 58.044 56.048 -0.031 0.000 1.332 70 H CB -0.173 29.566 29.762 -0.038 0.000 1.386 70 H HN 0.612 nan 8.280 nan 0.000 0.516 71 T N -2.384 112.285 114.554 0.191 0.000 3.258 71 T HA 0.532 4.881 4.350 -0.002 0.000 0.263 71 T C 1.237 175.979 174.700 0.070 0.000 0.983 71 T CA 0.108 62.288 62.100 0.132 0.000 0.907 71 T CB -0.075 68.866 68.868 0.121 0.000 1.096 71 T HN 0.359 nan 8.240 nan 0.000 0.556 72 A N 1.510 124.363 122.820 0.055 0.000 2.258 72 A HA 0.163 4.482 4.320 -0.002 0.000 0.206 72 A C 1.544 179.193 177.584 0.107 0.000 1.222 72 A CA 0.646 52.739 52.037 0.094 0.000 0.822 72 A CB -0.441 18.607 19.000 0.081 0.000 0.804 72 A HN 0.754 nan 8.150 nan 0.000 0.483 73 D N -0.714 119.734 120.400 0.081 0.000 2.805 73 D HA -0.040 4.599 4.640 -0.002 0.000 0.271 73 D C 0.728 177.091 176.300 0.106 0.000 1.166 73 D CA 0.042 54.086 54.000 0.073 0.000 1.004 73 D CB -0.720 40.099 40.800 0.032 0.000 1.136 73 D HN 0.165 nan 8.370 nan 0.000 0.444 74 N N 0.019 118.778 118.700 0.099 0.000 2.420 74 N HA -0.044 4.695 4.740 -0.002 0.000 0.262 74 N C 0.038 175.652 175.510 0.173 0.000 1.144 74 N CA -0.154 52.967 53.050 0.117 0.000 0.952 74 N CB 0.614 39.150 38.487 0.081 0.000 1.081 74 N HN 0.091 nan 8.380 nan 0.000 0.480 75 Y N 7.176 127.516 120.300 0.066 0.000 2.090 75 Y HA 0.027 4.576 4.550 -0.002 0.000 0.274 75 Y C -0.915 175.042 175.900 0.095 0.000 1.110 75 Y CA 1.719 59.874 58.100 0.092 0.000 1.092 75 Y CB -1.142 37.358 38.460 0.067 0.000 0.992 75 Y HN 0.507 nan 8.280 nan 0.000 0.479 76 P HA -0.214 nan 4.420 nan 0.000 0.219 76 P C 1.638 178.918 177.300 -0.034 0.000 1.144 76 P CA 1.518 64.610 63.100 -0.013 0.000 0.806 76 P CB -0.190 31.554 31.700 0.073 0.000 0.771 77 L N -1.125 120.104 121.223 0.011 0.000 1.994 77 L HA -0.165 4.174 4.340 -0.002 0.000 0.208 77 L C 2.068 178.928 176.870 -0.016 0.000 1.071 77 L CA 1.819 56.664 54.840 0.009 0.000 0.745 77 L CB -1.401 40.681 42.059 0.039 0.000 0.892 77 L HN -0.098 nan 8.230 nan 0.000 0.431 78 L N -1.286 119.922 121.223 -0.025 0.000 1.924 78 L HA -0.292 4.047 4.340 -0.002 0.000 0.222 78 L C 2.545 179.384 176.870 -0.051 0.000 1.081 78 L CA 1.507 56.316 54.840 -0.051 0.000 0.780 78 L CB -0.960 41.108 42.059 0.015 0.000 0.891 78 L HN 0.265 nan 8.230 nan 0.000 0.434 79 L N -0.442 120.731 121.223 -0.084 0.000 2.149 79 L HA -0.375 3.964 4.340 -0.002 0.000 0.223 79 L C 2.530 179.413 176.870 0.021 0.000 1.089 79 L CA 2.457 57.274 54.840 -0.038 0.000 0.800 79 L CB -1.768 40.183 42.059 -0.179 0.000 0.897 79 L HN 0.498 nan 8.230 nan 0.000 0.443 80 T N -0.062 114.478 114.554 -0.022 0.000 2.639 80 T HA -0.131 4.218 4.350 -0.002 0.000 0.261 80 T C 1.969 176.703 174.700 0.057 0.000 1.053 80 T CA 1.933 64.028 62.100 -0.009 0.000 1.158 80 T CB -0.467 68.377 68.868 -0.039 0.000 0.863 80 T HN 0.391 nan 8.240 nan 0.000 0.413 81 V N 1.298 121.221 119.914 0.014 0.000 2.324 81 V HA -0.054 4.065 4.120 -0.002 0.000 0.250 81 V C 2.317 178.420 176.094 0.014 0.000 1.060 81 V CA 1.610 63.913 62.300 0.004 0.000 1.042 81 V CB -1.574 30.223 31.823 -0.044 0.000 0.650 81 V HN 0.435 nan 8.190 nan 0.000 0.450 82 A N -1.776 121.044 122.820 0.001 0.000 2.223 82 A HA 0.352 4.671 4.320 -0.002 0.000 0.222 82 A C 1.494 179.143 177.584 0.109 0.000 1.317 82 A CA 1.070 53.106 52.037 -0.002 0.000 0.985 82 A CB -0.842 18.130 19.000 -0.047 0.000 0.858 82 A HN 0.821 nan 8.150 nan 0.000 0.496 83 F N -1.868 118.066 119.950 -0.026 0.000 2.411 83 F HA 0.242 4.768 4.527 -0.001 0.000 0.286 83 F C 1.351 177.146 175.800 -0.007 0.000 0.858 83 F CA 0.217 58.214 58.000 -0.005 0.000 1.080 83 F CB -0.100 38.900 39.000 -0.000 0.000 0.961 83 F HN 0.082 nan 8.300 nan 0.000 0.742 84 L N 0.255 121.699 121.223 0.368 0.000 1.970 84 L HA -0.283 4.056 4.340 -0.002 0.000 0.212 84 L C 2.440 179.345 176.870 0.058 0.000 1.071 84 L CA 1.980 56.957 54.840 0.228 0.000 0.751 84 L CB -1.061 41.084 42.059 0.143 0.000 0.889 84 L HN 0.323 nan 8.230 nan 0.000 0.432 85 C N -0.786 118.522 119.300 0.014 0.000 2.403 85 C HA -0.180 4.279 4.460 -0.002 0.000 0.277 85 C C 3.124 178.079 174.990 -0.058 0.000 1.248 85 C CA 1.238 60.234 59.018 -0.036 0.000 1.762 85 C CB -0.817 26.882 27.740 -0.069 0.000 2.014 85 C HN 0.512 nan 8.230 nan 0.000 0.486 86 S N 0.180 115.829 115.700 -0.085 0.000 2.414 86 S HA 0.025 4.494 4.470 -0.002 0.000 0.227 86 S C 2.119 176.648 174.600 -0.119 0.000 1.022 86 S CA 1.043 59.175 58.200 -0.113 0.000 0.958 86 S CB -0.244 62.864 63.200 -0.152 0.000 0.797 86 S HN 0.718 nan 8.310 nan 0.000 0.493 87 A N 1.084 123.804 122.820 -0.166 0.000 1.872 87 A HA 0.034 4.353 4.320 -0.002 0.000 0.214 87 A C 2.269 179.855 177.584 0.003 0.000 1.187 87 A CA 1.084 53.046 52.037 -0.124 0.000 0.614 87 A CB -0.888 18.028 19.000 -0.140 0.000 0.826 87 A HN 0.304 nan 8.150 nan 0.000 0.442 88 V N 0.480 120.409 119.914 0.024 0.000 2.332 88 V HA -0.287 3.832 4.120 -0.002 0.000 0.248 88 V C 2.581 178.737 176.094 0.103 0.000 1.055 88 V CA 2.098 64.437 62.300 0.066 0.000 1.038 88 V CB -0.755 31.096 31.823 0.048 0.000 0.651 88 V HN 0.556 nan 8.190 nan 0.000 0.450 89 L N -0.335 120.919 121.223 0.052 0.000 2.044 89 L HA -0.088 4.251 4.340 -0.002 0.000 0.205 89 L C 2.788 179.737 176.870 0.131 0.000 1.075 89 L CA 1.443 56.316 54.840 0.055 0.000 0.747 89 L CB -0.957 41.082 42.059 -0.033 0.000 0.903 89 L HN 0.351 nan 8.230 nan 0.000 0.435 90 A N 0.384 123.270 122.820 0.110 0.000 1.873 90 A HA -0.266 4.053 4.320 -0.002 0.000 0.218 90 A C 2.338 180.129 177.584 0.344 0.000 1.193 90 A CA 2.038 54.194 52.037 0.198 0.000 0.629 90 A CB -0.562 18.565 19.000 0.212 0.000 0.826 90 A HN 0.323 nan 8.150 nan 0.000 0.447 91 M N -2.121 117.635 119.600 0.259 0.000 2.082 91 M HA -0.155 4.324 4.480 -0.002 0.000 0.258 91 M C 2.191 178.680 176.300 0.315 0.000 1.071 91 M CA 2.169 57.615 55.300 0.244 0.000 1.103 91 M CB -0.740 31.936 32.600 0.126 0.000 1.307 91 M HN 0.480 nan 8.290 nan 0.000 0.409 92 F N 1.310 121.351 119.950 0.152 0.000 2.225 92 F HA -0.187 4.339 4.527 -0.002 0.000 0.302 92 F C 1.959 177.822 175.800 0.104 0.000 1.068 92 F CA 1.586 59.679 58.000 0.155 0.000 1.327 92 F CB -0.779 38.270 39.000 0.081 0.000 1.043 92 F HN 0.074 nan 8.300 nan 0.000 0.506 93 G N -1.019 108.003 108.800 0.369 0.000 2.496 93 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.214 93 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.214 93 G C 1.389 176.304 174.900 0.025 0.000 1.234 93 G CA 0.780 45.979 45.100 0.164 0.000 0.807 93 G HN 0.426 nan 8.290 nan 0.000 0.543 94 Y N 0.085 120.370 120.300 -0.024 0.000 2.193 94 Y HA -0.146 4.403 4.550 -0.001 0.000 0.285 94 Y C 2.384 178.248 175.900 -0.061 0.000 1.166 94 Y CA 1.505 59.520 58.100 -0.142 0.000 1.181 94 Y CB -0.546 37.794 38.460 -0.201 0.000 0.976 94 Y HN 0.266 nan 8.280 nan 0.000 0.520 95 F N -0.081 119.873 119.950 0.006 0.000 2.026 95 F HA -0.274 4.252 4.527 -0.002 0.000 0.296 95 F C 1.948 177.685 175.800 -0.104 0.000 1.133 95 F CA 0.782 58.742 58.000 -0.067 0.000 1.188 95 F CB -0.278 38.643 39.000 -0.132 0.000 0.968 95 F HN -0.093 nan 8.300 nan 0.000 0.476 96 L N 0.571 121.538 121.223 -0.427 0.000 2.556 96 L HA -0.184 4.155 4.340 -0.002 0.000 0.230 96 L C 1.774 178.500 176.870 -0.240 0.000 1.163 96 L CA 0.750 55.259 54.840 -0.552 0.000 0.819 96 L CB -1.200 40.593 42.059 -0.443 0.000 0.939 96 L HN 0.230 nan 8.230 nan 0.000 0.452 97 V N -1.008 118.827 119.914 -0.132 0.000 2.602 97 V HA -0.052 4.067 4.120 -0.002 0.000 0.235 97 V C 2.461 178.523 176.094 -0.052 0.000 1.087 97 V CA 0.496 62.732 62.300 -0.107 0.000 1.117 97 V CB -0.182 31.527 31.823 -0.190 0.000 0.820 97 V HN 0.320 nan 8.190 nan 0.000 0.490 98 R N 0.942 121.415 120.500 -0.045 0.000 2.081 98 R HA -0.160 4.179 4.340 -0.002 0.000 0.235 98 R C 2.020 178.370 176.300 0.083 0.000 1.131 98 R CA 1.297 57.405 56.100 0.013 0.000 0.960 98 R CB -0.519 29.807 30.300 0.044 0.000 0.856 98 R HN 0.249 nan 8.270 nan 0.000 0.436 99 K N -0.450 120.043 120.400 0.155 0.000 2.487 99 K HA -0.006 4.313 4.320 -0.002 0.000 0.192 99 K C 0.237 176.757 176.600 -0.134 0.000 1.027 99 K CA 0.704 57.042 56.287 0.086 0.000 1.054 99 K CB 0.249 32.917 32.500 0.280 0.000 0.824 99 K HN 0.194 nan 8.250 nan 0.000 0.510 100 Y N -2.718 117.512 120.300 -0.115 0.000 2.449 100 Y HA 0.412 4.961 4.550 -0.002 0.000 0.283 100 Y C -0.153 175.686 175.900 -0.101 0.000 1.079 100 Y CA -0.246 57.784 58.100 -0.117 0.000 1.099 100 Y CB 1.175 39.529 38.460 -0.176 0.000 1.354 100 Y HN -0.024 nan 8.280 nan 0.000 0.569 101 A N -0.134 122.711 122.820 0.042 0.000 3.330 101 A HA 0.471 4.790 4.320 -0.002 0.000 0.256 101 A C -2.414 175.145 177.584 -0.041 0.000 1.185 101 A CA -0.775 51.248 52.037 -0.024 0.000 0.940 101 A CB 0.041 19.013 19.000 -0.048 0.000 1.397 101 A HN -0.025 nan 8.150 nan 0.000 0.678 102 P HA -0.303 nan 4.420 nan 0.000 0.218 102 P C 1.409 178.692 177.300 -0.027 0.000 1.152 102 P CA 2.243 65.332 63.100 -0.018 0.000 0.857 102 P CB 0.227 31.944 31.700 0.028 0.000 0.787 103 E N -0.122 120.061 120.200 -0.029 0.000 2.023 103 E HA -0.213 4.136 4.350 -0.002 0.000 0.196 103 E C 2.165 178.742 176.600 -0.038 0.000 1.003 103 E CA 1.272 57.656 56.400 -0.027 0.000 0.809 103 E CB -1.302 28.374 29.700 -0.040 0.000 0.755 103 E HN 0.111 nan 8.360 nan 0.000 0.449 104 A N 2.322 125.107 122.820 -0.058 0.000 1.915 104 A HA -0.163 4.156 4.320 -0.002 0.000 0.220 104 A C 1.873 179.411 177.584 -0.075 0.000 1.198 104 A CA 1.660 53.659 52.037 -0.064 0.000 0.647 104 A CB -1.794 17.161 19.000 -0.076 0.000 0.825 104 A HN 0.370 nan 8.150 nan 0.000 0.456 105 G N -0.904 107.828 108.800 -0.113 0.000 2.150 105 G HA2 0.517 4.476 3.960 -0.002 0.000 0.250 105 G HA3 0.517 4.476 3.960 -0.002 0.000 0.250 105 G C 0.520 175.353 174.900 -0.112 0.000 1.179 105 G CA 0.614 45.618 45.100 -0.159 0.000 0.934 105 G HN 1.794 nan 8.290 nan 0.000 0.453 106 G N 0.845 109.571 108.800 -0.124 0.000 2.331 106 G HA2 0.442 4.401 3.960 -0.002 0.000 0.402 106 G HA3 0.442 4.401 3.960 -0.002 0.000 0.402 106 G C 0.842 175.805 174.900 0.104 0.000 1.275 106 G CA 0.323 45.366 45.100 -0.095 0.000 1.003 106 G HN 1.527 nan 8.290 nan 0.000 0.500 107 A N -1.377 121.646 122.820 0.338 0.000 1.865 107 A HA 0.435 4.755 4.320 -0.002 0.000 0.217 107 A C 2.735 180.434 177.584 0.193 0.000 1.191 107 A CA 3.830 56.087 52.037 0.365 0.000 0.623 107 A CB -0.832 18.414 19.000 0.411 0.000 0.826 107 A HN 2.984 nan 8.150 nan 0.000 0.444 108 G N -2.351 106.544 108.800 0.158 0.000 2.255 108 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.196 108 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.196 108 G C 0.910 175.878 174.900 0.114 0.000 0.998 108 G CA 0.337 45.494 45.100 0.095 0.000 0.656 108 G HN 0.368 nan 8.290 nan 0.000 0.490 109 I N 1.346 122.018 120.570 0.169 0.000 2.339 109 I HA 0.026 4.195 4.170 -0.002 0.000 0.245 109 I C -0.091 176.124 176.117 0.162 0.000 1.096 109 I CA 1.000 62.420 61.300 0.201 0.000 1.408 109 I CB -0.530 37.651 38.000 0.301 0.000 1.092 109 I HN 0.054 nan 8.210 nan 0.000 0.423 110 P HA -0.176 nan 4.420 nan 0.000 0.218 110 P C 1.252 178.603 177.300 0.084 0.000 1.146 110 P CA 1.297 64.470 63.100 0.122 0.000 0.813 110 P CB 0.008 31.786 31.700 0.131 0.000 0.778 111 E N -0.512 119.733 120.200 0.075 0.000 2.008 111 E HA -0.096 4.253 4.350 -0.002 0.000 0.191 111 E C 2.128 178.750 176.600 0.037 0.000 0.986 111 E CA 0.919 57.347 56.400 0.046 0.000 0.807 111 E CB -0.979 28.741 29.700 0.032 0.000 0.766 111 E HN 0.147 nan 8.360 nan 0.000 0.450 112 I N 1.578 122.173 120.570 0.042 0.000 2.185 112 I HA -0.299 3.870 4.170 -0.002 0.000 0.246 112 I C 2.487 178.606 176.117 0.004 0.000 1.088 112 I CA 1.456 62.771 61.300 0.025 0.000 1.347 112 I CB -1.019 37.008 38.000 0.045 0.000 1.041 112 I HN 0.260 nan 8.210 nan 0.000 0.415 113 E N 0.654 120.868 120.200 0.022 0.000 2.077 113 E HA -0.173 4.176 4.350 -0.002 0.000 0.193 113 E C 2.322 178.917 176.600 -0.008 0.000 0.989 113 E CA 1.570 57.968 56.400 -0.004 0.000 0.800 113 E CB -0.323 29.399 29.700 0.036 0.000 0.746 113 E HN 0.479 nan 8.360 nan 0.000 0.452 114 G N 0.454 109.263 108.800 0.015 0.000 2.414 114 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.215 114 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.215 114 G C 1.708 176.606 174.900 -0.003 0.000 1.188 114 G CA 0.835 45.944 45.100 0.014 0.000 0.783 114 G HN 0.426 nan 8.290 nan 0.000 0.537 115 A N 0.517 123.337 122.820 0.000 0.000 2.054 115 A HA -0.054 4.265 4.320 -0.002 0.000 0.223 115 A C 2.330 179.892 177.584 -0.036 0.000 1.169 115 A CA 1.384 53.423 52.037 0.003 0.000 0.655 115 A CB -0.404 18.604 19.000 0.012 0.000 0.812 115 A HN 0.390 nan 8.150 nan 0.000 0.462 116 L N -1.121 120.047 121.223 -0.092 0.000 2.376 116 L HA -0.051 4.288 4.340 -0.002 0.000 0.219 116 L C 1.918 178.635 176.870 -0.255 0.000 1.133 116 L CA 0.766 55.466 54.840 -0.233 0.000 0.816 116 L CB -0.186 41.744 42.059 -0.215 0.000 0.933 116 L HN 0.412 nan 8.230 nan 0.000 0.449 117 E N -1.044 119.099 120.200 -0.094 0.000 2.489 117 E HA -0.020 4.329 4.350 -0.002 0.000 0.204 117 E C -0.227 176.386 176.600 0.021 0.000 1.006 117 E CA 0.085 56.468 56.400 -0.029 0.000 0.936 117 E CB 0.653 30.359 29.700 0.011 0.000 1.002 117 E HN 0.280 nan 8.360 nan 0.000 0.488 118 D N 0.377 120.793 120.400 0.028 0.000 3.099 118 D HA -0.146 4.493 4.640 -0.002 0.000 0.213 118 D C 1.035 177.365 176.300 0.050 0.000 1.121 118 D CA 0.526 54.564 54.000 0.062 0.000 0.951 118 D CB -0.793 40.063 40.800 0.093 0.000 1.102 118 D HN 0.218 nan 8.370 nan 0.000 0.423 119 Q N -0.504 119.318 119.800 0.037 0.000 2.339 119 Q HA 0.072 4.411 4.340 -0.002 0.000 0.205 119 Q C 1.147 177.168 176.000 0.035 0.000 0.925 119 Q CA 0.805 56.628 55.803 0.034 0.000 0.898 119 Q CB 0.648 29.403 28.738 0.028 0.000 1.013 119 Q HN 0.319 nan 8.270 nan 0.000 0.504 120 R N 0.615 121.136 120.500 0.034 0.000 2.875 120 R HA 0.650 4.989 4.340 -0.002 0.000 0.251 120 R C -2.273 174.050 176.300 0.038 0.000 1.123 120 R CA -2.091 54.028 56.100 0.031 0.000 1.064 120 R CB -0.545 29.769 30.300 0.024 0.000 1.205 120 R HN -0.072 nan 8.270 nan 0.000 0.503 121 P HA 0.389 nan 4.420 nan 0.000 0.305 121 P C -0.871 176.426 177.300 -0.005 0.000 1.390 121 P CA -0.815 62.308 63.100 0.038 0.000 1.054 121 P CB 1.620 33.350 31.700 0.051 0.000 1.335 122 V N 2.821 122.746 119.914 0.019 0.000 2.112 122 V HA 0.200 4.319 4.120 -0.002 0.000 0.271 122 V C 1.029 176.991 176.094 -0.221 0.000 1.465 122 V CA -0.279 62.013 62.300 -0.014 0.000 1.419 122 V CB -1.017 30.869 31.823 0.104 0.000 1.409 122 V HN 0.436 nan 8.190 nan 0.000 0.495 123 R N 3.204 123.402 120.500 -0.505 0.000 4.874 123 R HA -0.031 4.308 4.340 -0.002 0.000 0.173 123 R C 1.624 177.140 176.300 -1.306 0.000 2.034 123 R CA -0.062 55.217 56.100 -1.369 0.000 1.630 123 R CB -0.167 29.594 30.300 -0.899 0.000 1.372 123 R HN 0.936 nan 8.270 nan 0.000 0.843 124 W N 0.732 121.526 121.300 -0.843 0.000 2.325 124 W HA -0.250 4.410 4.660 -0.001 0.000 0.299 124 W C 0.732 177.068 176.519 -0.305 0.000 1.215 124 W CA 0.690 57.792 57.345 -0.405 0.000 1.244 124 W CB -1.178 28.195 29.460 -0.146 0.000 1.140 124 W HN 0.444 nan 8.180 nan 0.000 0.523 125 W N 1.497 122.247 121.300 -0.916 0.000 2.632 125 W HA 0.139 4.798 4.660 -0.002 0.000 0.248 125 W C 1.973 178.339 176.519 -0.255 0.000 1.259 125 W CA 1.034 57.911 57.345 -0.779 0.000 1.288 125 W CB -1.083 27.751 29.460 -1.044 0.000 1.136 125 W HN -0.157 nan 8.180 nan 0.000 0.640 126 R N -0.179 120.016 120.500 -0.508 0.000 2.411 126 R HA 0.063 4.402 4.340 -0.002 0.000 0.176 126 R C 2.218 178.432 176.300 -0.142 0.000 1.072 126 R CA 0.617 56.574 56.100 -0.239 0.000 1.132 126 R CB -0.593 29.526 30.300 -0.302 0.000 1.203 126 R HN 0.032 nan 8.270 nan 0.000 0.537 127 V N 2.933 122.722 119.914 -0.209 0.000 2.250 127 V HA -0.357 3.762 4.120 -0.002 0.000 0.253 127 V C 2.431 178.505 176.094 -0.033 0.000 1.065 127 V CA 2.022 64.256 62.300 -0.111 0.000 1.039 127 V CB -0.644 31.104 31.823 -0.125 0.000 0.647 127 V HN 0.275 nan 8.190 nan 0.000 0.446 128 L N 0.426 121.657 121.223 0.013 0.000 1.934 128 L HA -0.168 4.171 4.340 -0.002 0.000 0.227 128 L C 0.514 177.443 176.870 0.099 0.000 1.084 128 L CA 2.595 57.460 54.840 0.042 0.000 0.790 128 L CB -2.413 39.705 42.059 0.099 0.000 0.896 128 L HN 0.337 nan 8.230 nan 0.000 0.437 129 P HA -0.162 nan 4.420 nan 0.000 0.217 129 P C 1.833 179.311 177.300 0.297 0.000 1.151 129 P CA 1.664 64.961 63.100 0.328 0.000 0.849 129 P CB -0.071 31.782 31.700 0.254 0.000 0.787 130 V N 1.208 121.187 119.914 0.108 0.000 2.214 130 V HA -0.258 3.861 4.120 -0.002 0.000 0.244 130 V C 2.855 178.979 176.094 0.050 0.000 1.045 130 V CA 2.610 64.928 62.300 0.031 0.000 0.993 130 V CB -1.365 30.441 31.823 -0.028 0.000 0.633 130 V HN 0.087 nan 8.190 nan 0.000 0.449 131 K N -0.210 120.192 120.400 0.002 0.000 2.034 131 K HA -0.247 4.072 4.320 -0.002 0.000 0.214 131 K C 1.930 178.495 176.600 -0.059 0.000 1.051 131 K CA 2.228 58.485 56.287 -0.050 0.000 0.931 131 K CB -0.704 31.739 32.500 -0.095 0.000 0.715 131 K HN 0.409 nan 8.250 nan 0.000 0.446 132 F N -0.286 119.530 119.950 -0.224 0.000 1.990 132 F HA -0.262 4.264 4.527 -0.002 0.000 0.297 132 F C 1.773 177.511 175.800 -0.103 0.000 1.199 132 F CA 1.877 59.681 58.000 -0.326 0.000 1.184 132 F CB -0.476 38.316 39.000 -0.347 0.000 0.956 132 F HN 0.034 nan 8.300 nan 0.000 0.503 133 F N 1.183 120.999 119.950 -0.224 0.000 2.154 133 F HA -0.138 4.388 4.527 -0.001 0.000 0.301 133 F C 2.573 178.357 175.800 -0.026 0.000 1.087 133 F CA 1.428 59.291 58.000 -0.228 0.000 1.274 133 F CB -1.503 37.498 39.000 0.001 0.000 1.009 133 F HN 0.183 nan 8.300 nan 0.000 0.485 134 G N -0.165 108.751 108.800 0.194 0.000 2.511 134 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.216 134 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.216 134 G C 2.088 177.037 174.900 0.082 0.000 1.218 134 G CA 0.990 46.170 45.100 0.133 0.000 0.788 134 G HN 0.516 nan 8.290 nan 0.000 0.560 135 G N 1.051 109.897 108.800 0.076 0.000 2.599 135 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.219 135 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.219 135 G C 1.781 176.741 174.900 0.101 0.000 1.193 135 G CA 1.325 46.525 45.100 0.167 0.000 0.778 135 G HN 0.355 nan 8.290 nan 0.000 0.589 136 L N 1.662 122.924 121.223 0.064 0.000 2.123 136 L HA -0.104 4.236 4.340 -0.002 0.000 0.217 136 L C 2.960 179.772 176.870 -0.097 0.000 1.081 136 L CA 2.003 56.775 54.840 -0.114 0.000 0.772 136 L CB -1.013 40.910 42.059 -0.228 0.000 0.890 136 L HN 0.319 nan 8.230 nan 0.000 0.437 137 G N -1.307 107.465 108.800 -0.047 0.000 2.679 137 G HA2 -0.221 3.739 3.960 -0.002 0.000 0.214 137 G HA3 -0.221 3.739 3.960 -0.002 0.000 0.214 137 G C 1.525 176.410 174.900 -0.025 0.000 1.315 137 G CA 1.545 46.625 45.100 -0.033 0.000 0.836 137 G HN 0.416 nan 8.290 nan 0.000 0.580 138 T N 0.738 115.283 114.554 -0.014 0.000 2.624 138 T HA -0.238 4.111 4.350 -0.002 0.000 0.266 138 T C 2.368 177.045 174.700 -0.039 0.000 1.050 138 T CA 1.707 63.782 62.100 -0.040 0.000 1.163 138 T CB -0.567 68.237 68.868 -0.107 0.000 0.861 138 T HN 0.136 nan 8.240 nan 0.000 0.443 139 L N 1.118 122.313 121.223 -0.047 0.000 1.961 139 L HA 0.115 4.454 4.340 -0.002 0.000 0.209 139 L C 3.319 180.131 176.870 -0.096 0.000 1.075 139 L CA 1.523 56.316 54.840 -0.077 0.000 0.749 139 L CB -1.356 40.623 42.059 -0.133 0.000 0.890 139 L HN 0.488 nan 8.230 nan 0.000 0.433 140 G N -0.475 108.252 108.800 -0.122 0.000 2.532 140 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.222 140 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.222 140 G C 1.458 176.297 174.900 -0.102 0.000 1.102 140 G CA 0.953 45.981 45.100 -0.120 0.000 0.742 140 G HN 0.560 nan 8.290 nan 0.000 0.577 141 G N -0.158 108.593 108.800 -0.082 0.000 2.394 141 G HA2 0.327 4.286 3.960 -0.002 0.000 0.215 141 G HA3 0.327 4.286 3.960 -0.002 0.000 0.215 141 G C 1.138 176.001 174.900 -0.061 0.000 1.165 141 G CA 0.810 45.867 45.100 -0.072 0.000 0.784 141 G HN 1.553 nan 8.290 nan 0.000 0.535 142 G N -0.882 107.889 108.800 -0.048 0.000 2.247 142 G HA2 -0.109 3.850 3.960 -0.002 0.000 0.111 142 G HA3 -0.109 3.850 3.960 -0.002 0.000 0.111 142 G C 0.061 174.955 174.900 -0.009 0.000 1.045 142 G CA -0.034 45.049 45.100 -0.029 0.000 0.715 142 G HN 0.368 nan 8.290 nan 0.000 0.485 143 M N -0.336 119.261 119.600 -0.005 0.000 2.369 143 M HA 0.494 4.973 4.480 -0.002 0.000 0.291 143 M C 1.205 177.523 176.300 0.030 0.000 1.178 143 M CA -0.807 54.504 55.300 0.019 0.000 0.996 143 M CB 1.326 33.945 32.600 0.032 0.000 1.472 143 M HN -0.079 nan 8.290 nan 0.000 0.496 144 V N 3.137 123.083 119.914 0.054 0.000 1.956 144 V HA 0.178 4.297 4.120 -0.002 0.000 0.248 144 V C -0.194 175.950 176.094 0.083 0.000 1.615 144 V CA 0.381 62.719 62.300 0.063 0.000 1.558 144 V CB -1.905 29.967 31.823 0.080 0.000 1.529 144 V HN 0.484 nan 8.190 nan 0.000 0.505 145 L N 0.936 122.191 121.223 0.053 0.000 2.424 145 L HA 0.787 5.126 4.340 -0.002 0.000 0.258 145 L C 0.581 177.452 176.870 0.002 0.000 0.995 145 L CA -0.604 54.278 54.840 0.070 0.000 0.821 145 L CB 2.291 44.407 42.059 0.096 0.000 1.383 145 L HN 0.438 nan 8.230 nan 0.000 0.410 146 G N -0.008 108.793 108.800 0.002 0.000 2.522 146 G HA2 0.523 4.482 3.960 -0.002 0.000 0.304 146 G HA3 0.523 4.482 3.960 -0.002 0.000 0.304 146 G C 0.162 175.039 174.900 -0.039 0.000 1.210 146 G CA -0.543 44.502 45.100 -0.090 0.000 0.960 146 G HN 0.807 nan 8.290 nan 0.000 0.497 147 R N -0.658 119.781 120.500 -0.102 0.000 2.509 147 R HA 0.198 4.537 4.340 -0.002 0.000 0.300 147 R C 0.904 177.226 176.300 0.036 0.000 0.985 147 R CA -0.315 55.803 56.100 0.030 0.000 1.092 147 R CB 0.264 30.470 30.300 -0.157 0.000 1.237 147 R HN 0.383 nan 8.270 nan 0.000 0.546 148 Q N 1.303 121.037 119.800 -0.111 0.000 1.967 148 Q HA 0.066 4.405 4.340 -0.002 0.000 0.196 148 Q C 2.203 178.176 176.000 -0.046 0.000 0.978 148 Q CA 1.733 57.421 55.803 -0.192 0.000 0.833 148 Q CB -1.040 27.501 28.738 -0.329 0.000 0.898 148 Q HN 0.384 nan 8.270 nan 0.000 0.446 149 G N 2.651 111.453 108.800 0.004 0.000 2.597 149 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.222 149 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.222 149 G C -0.958 173.960 174.900 0.031 0.000 1.135 149 G CA 1.211 46.333 45.100 0.035 0.000 0.759 149 G HN 0.328 nan 8.290 nan 0.000 0.595 150 P HA -0.053 nan 4.420 nan 0.000 0.217 150 P C 1.906 179.130 177.300 -0.127 0.000 1.148 150 P CA 1.718 64.810 63.100 -0.014 0.000 0.828 150 P CB -0.118 31.681 31.700 0.166 0.000 0.783 151 T N -1.920 112.606 114.554 -0.046 0.000 3.035 151 T HA -0.010 4.339 4.350 -0.002 0.000 0.259 151 T C 1.723 176.387 174.700 -0.060 0.000 1.078 151 T CA 0.508 62.565 62.100 -0.072 0.000 1.132 151 T CB -0.640 68.219 68.868 -0.014 0.000 0.900 151 T HN -0.121 nan 8.240 nan 0.000 0.480 152 V N 1.828 121.719 119.914 -0.039 0.000 2.233 152 V HA -0.262 3.857 4.120 -0.002 0.000 0.247 152 V C 2.621 178.717 176.094 0.004 0.000 1.050 152 V CA 1.972 64.270 62.300 -0.005 0.000 1.010 152 V CB -0.739 31.096 31.823 0.020 0.000 0.637 152 V HN 0.464 nan 8.190 nan 0.000 0.444 153 Q N -0.133 119.664 119.800 -0.004 0.000 1.975 153 Q HA -0.210 4.129 4.340 -0.002 0.000 0.205 153 Q C 2.276 178.246 176.000 -0.050 0.000 0.990 153 Q CA 2.356 58.151 55.803 -0.013 0.000 0.845 153 Q CB -0.281 28.449 28.738 -0.015 0.000 0.913 153 Q HN 0.617 nan 8.270 nan 0.000 0.420 154 I N 0.804 121.316 120.570 -0.095 0.000 2.479 154 I HA -0.294 3.875 4.170 -0.002 0.000 0.258 154 I C 2.124 178.179 176.117 -0.103 0.000 1.165 154 I CA 1.051 62.275 61.300 -0.126 0.000 1.422 154 I CB -0.698 37.174 38.000 -0.214 0.000 1.087 154 I HN 0.446 nan 8.210 nan 0.000 0.441 155 G N 0.674 109.428 108.800 -0.077 0.000 2.505 155 G HA2 -0.145 3.815 3.960 -0.002 0.000 0.214 155 G HA3 -0.145 3.815 3.960 -0.002 0.000 0.214 155 G C 1.712 176.578 174.900 -0.057 0.000 1.237 155 G CA 0.746 45.808 45.100 -0.063 0.000 0.802 155 G HN 0.436 nan 8.290 nan 0.000 0.549 156 G N 1.226 110.007 108.800 -0.032 0.000 2.606 156 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.221 156 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.221 156 G C 1.757 176.632 174.900 -0.042 0.000 1.152 156 G CA 1.640 46.725 45.100 -0.025 0.000 0.765 156 G HN 0.473 nan 8.290 nan 0.000 0.595 157 N N 0.386 119.063 118.700 -0.039 0.000 2.120 157 N HA -0.058 4.681 4.740 -0.002 0.000 0.188 157 N C 2.099 177.525 175.510 -0.140 0.000 1.024 157 N CA 0.905 53.937 53.050 -0.029 0.000 0.852 157 N CB -0.207 38.296 38.487 0.027 0.000 1.003 157 N HN 0.226 nan 8.380 nan 0.000 0.424 158 I N 0.439 120.924 120.570 -0.142 0.000 2.423 158 I HA -0.141 4.028 4.170 -0.002 0.000 0.254 158 I C 2.140 178.129 176.117 -0.213 0.000 1.151 158 I CA 1.044 62.224 61.300 -0.199 0.000 1.421 158 I CB -1.502 36.405 38.000 -0.155 0.000 1.079 158 I HN 0.175 nan 8.210 nan 0.000 0.431 159 G N 0.812 109.523 108.800 -0.149 0.000 2.505 159 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.214 159 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.214 159 G C 1.763 176.569 174.900 -0.157 0.000 1.237 159 G CA 0.900 45.930 45.100 -0.116 0.000 0.802 159 G HN 0.196 nan 8.290 nan 0.000 0.549 160 R N 0.147 120.563 120.500 -0.140 0.000 2.136 160 R HA -0.187 4.152 4.340 -0.002 0.000 0.242 160 R C 2.576 178.657 176.300 -0.365 0.000 1.131 160 R CA 2.463 58.481 56.100 -0.136 0.000 0.937 160 R CB -0.802 29.487 30.300 -0.018 0.000 0.863 160 R HN 0.407 nan 8.270 nan 0.000 0.435 161 M N -0.043 119.069 119.600 -0.814 0.000 2.124 161 M HA -0.254 4.225 4.480 -0.002 0.000 0.253 161 M C 1.994 177.854 176.300 -0.733 0.000 1.077 161 M CA 2.788 57.238 55.300 -1.417 0.000 1.085 161 M CB -0.293 31.451 32.600 -1.427 0.000 1.320 161 M HN 0.260 nan 8.290 nan 0.000 0.404 162 V N -1.182 118.460 119.914 -0.453 0.000 2.591 162 V HA -0.137 3.982 4.120 -0.002 0.000 0.249 162 V C 2.120 178.114 176.094 -0.166 0.000 1.053 162 V CA 1.440 63.549 62.300 -0.318 0.000 1.068 162 V CB -1.078 30.673 31.823 -0.121 0.000 0.689 162 V HN 0.616 nan 8.190 nan 0.000 0.462 163 L N 1.149 122.313 121.223 -0.098 0.000 2.265 163 L HA -0.041 4.298 4.340 -0.002 0.000 0.215 163 L C 1.786 178.665 176.870 0.014 0.000 1.117 163 L CA 2.221 57.065 54.840 0.006 0.000 0.782 163 L CB -0.853 41.213 42.059 0.012 0.000 0.914 163 L HN 0.328 nan 8.230 nan 0.000 0.441 164 D N -1.023 119.352 120.400 -0.041 0.000 2.338 164 D HA 0.086 4.725 4.640 -0.002 0.000 0.208 164 D C 2.228 178.506 176.300 -0.035 0.000 0.997 164 D CA 0.795 54.819 54.000 0.039 0.000 0.880 164 D CB 0.199 41.124 40.800 0.208 0.000 0.980 164 D HN 0.377 nan 8.370 nan 0.000 0.509 165 I N -0.250 120.185 120.570 -0.224 0.000 2.761 165 I HA -0.121 4.048 4.170 -0.002 0.000 0.261 165 I C 0.652 176.531 176.117 -0.397 0.000 1.198 165 I CA 0.674 61.749 61.300 -0.376 0.000 1.482 165 I CB 0.152 37.767 38.000 -0.643 0.000 1.100 165 I HN -0.113 nan 8.210 nan 0.000 0.445 166 F N 0.869 120.829 119.950 0.016 0.000 2.683 166 F HA 0.263 4.789 4.527 -0.001 0.000 0.306 166 F C 1.110 176.926 175.800 0.027 0.000 1.102 166 F CA -0.663 57.352 58.000 0.025 0.000 1.244 166 F CB -0.058 38.961 39.000 0.031 0.000 1.029 166 F HN -0.078 nan 8.300 nan 0.000 0.545 167 R N -0.916 119.668 120.500 0.141 0.000 4.010 167 R HA -0.269 4.070 4.340 -0.002 0.000 0.373 167 R C 0.154 176.514 176.300 0.099 0.000 1.197 167 R CA 0.960 57.121 56.100 0.101 0.000 1.293 167 R CB -2.950 27.399 30.300 0.082 0.000 1.793 167 R HN 0.360 nan 8.270 nan 0.000 0.575 168 L N 1.510 122.809 121.223 0.127 0.000 2.720 168 L HA 0.056 4.395 4.340 -0.002 0.000 0.289 168 L C 0.825 177.733 176.870 0.064 0.000 1.232 168 L CA 1.050 55.944 54.840 0.089 0.000 0.915 168 L CB -0.211 41.907 42.059 0.098 0.000 1.184 168 L HN 0.170 nan 8.230 nan 0.000 0.491 169 K N 2.083 122.509 120.400 0.043 0.000 2.258 169 K HA 0.873 5.192 4.320 -0.002 0.000 0.236 169 K C -0.163 176.443 176.600 0.009 0.000 1.008 169 K CA -0.354 55.950 56.287 0.028 0.000 0.869 169 K CB 1.892 34.408 32.500 0.027 0.000 1.171 169 K HN 1.127 nan 8.250 nan 0.000 0.447 170 G N 2.355 111.150 108.800 -0.009 0.000 3.187 170 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.682 170 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.682 170 G C -0.396 174.454 174.900 -0.083 0.000 1.266 170 G CA -0.370 44.710 45.100 -0.034 0.000 0.902 170 G HN 0.733 nan 8.290 nan 0.000 0.589 171 D N 0.249 120.566 120.400 -0.137 0.000 2.276 171 D HA -0.141 4.498 4.640 -0.002 0.000 0.200 171 D C 1.909 177.992 176.300 -0.362 0.000 1.004 171 D CA 1.866 55.675 54.000 -0.317 0.000 0.898 171 D CB 0.297 40.912 40.800 -0.307 0.000 0.906 171 D HN 0.693 nan 8.370 nan 0.000 0.457 172 E N -0.452 119.648 120.200 -0.167 0.000 2.028 172 E HA -0.030 4.320 4.350 -0.002 0.000 0.190 172 E C 1.953 178.527 176.600 -0.043 0.000 0.984 172 E CA 0.782 57.125 56.400 -0.095 0.000 0.800 172 E CB -0.031 29.641 29.700 -0.047 0.000 0.758 172 E HN 0.239 nan 8.360 nan 0.000 0.448 173 A N 0.860 123.664 122.820 -0.027 0.000 2.216 173 A HA -0.110 4.209 4.320 -0.002 0.000 0.214 173 A C 1.931 179.527 177.584 0.021 0.000 1.160 173 A CA 0.803 52.845 52.037 0.008 0.000 0.725 173 A CB -0.284 18.729 19.000 0.021 0.000 0.784 173 A HN 0.092 nan 8.150 nan 0.000 0.472 174 R N -1.396 119.105 120.500 0.001 0.000 2.074 174 R HA 0.026 4.365 4.340 -0.002 0.000 0.218 174 R C 1.921 178.308 176.300 0.146 0.000 1.137 174 R CA 0.977 57.108 56.100 0.053 0.000 0.998 174 R CB -0.331 29.984 30.300 0.026 0.000 0.895 174 R HN 0.739 nan 8.270 nan 0.000 0.442 175 H N -0.895 118.172 119.070 -0.004 0.000 2.321 175 H HA -0.076 4.479 4.556 -0.002 0.000 0.300 175 H C 1.855 177.169 175.328 -0.024 0.000 1.087 175 H CA 1.478 57.514 56.048 -0.019 0.000 1.319 175 H CB 0.128 29.868 29.762 -0.036 0.000 1.379 175 H HN 0.216 nan 8.280 nan 0.000 0.501 176 T N 1.384 116.007 114.554 0.114 0.000 2.569 176 T HA -0.144 4.205 4.350 -0.002 0.000 0.263 176 T C 2.118 176.839 174.700 0.035 0.000 1.074 176 T CA 0.985 63.117 62.100 0.052 0.000 1.176 176 T CB -0.427 68.461 68.868 0.033 0.000 0.863 176 T HN 0.192 nan 8.240 nan 0.000 0.410 177 L N 0.643 121.886 121.223 0.033 0.000 2.351 177 L HA -0.122 4.217 4.340 -0.002 0.000 0.220 177 L C 2.280 179.153 176.870 0.004 0.000 1.127 177 L CA 0.680 55.529 54.840 0.014 0.000 0.786 177 L CB -0.555 41.514 42.059 0.016 0.000 0.914 177 L HN 0.249 nan 8.230 nan 0.000 0.443 178 L N -0.189 121.047 121.223 0.020 0.000 2.116 178 L HA 0.059 4.399 4.340 -0.002 0.000 0.200 178 L C 2.688 179.553 176.870 -0.008 0.000 1.084 178 L CA 1.767 56.611 54.840 0.007 0.000 0.766 178 L CB -0.646 41.427 42.059 0.022 0.000 0.930 178 L HN 0.062 nan 8.230 nan 0.000 0.453 179 A N -0.858 121.955 122.820 -0.012 0.000 1.958 179 A HA -0.333 3.986 4.320 -0.002 0.000 0.221 179 A C 2.369 179.944 177.584 -0.015 0.000 1.178 179 A CA 3.019 55.036 52.037 -0.034 0.000 0.642 179 A CB -1.555 17.418 19.000 -0.044 0.000 0.816 179 A HN 0.672 nan 8.150 nan 0.000 0.453 180 T N -2.887 111.664 114.554 -0.004 0.000 2.698 180 T HA 0.084 4.433 4.350 -0.002 0.000 0.260 180 T C 2.047 176.742 174.700 -0.007 0.000 1.044 180 T CA 1.783 63.883 62.100 -0.000 0.000 1.149 180 T CB -1.290 67.579 68.868 0.002 0.000 0.864 180 T HN 0.615 nan 8.240 nan 0.000 0.419 181 G N 1.562 110.351 108.800 -0.019 0.000 2.596 181 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.223 181 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.223 181 G C 1.816 176.705 174.900 -0.018 0.000 1.120 181 G CA 1.512 46.592 45.100 -0.033 0.000 0.752 181 G HN 0.879 nan 8.290 nan 0.000 0.596 182 A N 1.110 123.931 122.820 0.001 0.000 1.826 182 A HA 0.384 4.704 4.320 -0.002 0.000 0.214 182 A C 2.913 180.537 177.584 0.065 0.000 1.212 182 A CA 2.408 54.467 52.037 0.037 0.000 0.605 182 A CB -1.200 17.826 19.000 0.043 0.000 0.861 182 A HN 1.025 nan 8.150 nan 0.000 0.447 183 A N -0.034 122.826 122.820 0.068 0.000 1.903 183 A HA -0.012 4.308 4.320 -0.002 0.000 0.219 183 A C 2.496 180.094 177.584 0.024 0.000 1.191 183 A CA 2.807 54.890 52.037 0.077 0.000 0.638 183 A CB -1.266 17.756 19.000 0.037 0.000 0.823 183 A HN 1.319 nan 8.150 nan 0.000 0.451 184 A N -0.923 121.897 122.820 0.001 0.000 2.024 184 A HA 0.091 4.410 4.320 -0.002 0.000 0.220 184 A C 2.287 179.859 177.584 -0.019 0.000 1.164 184 A CA 2.061 54.089 52.037 -0.016 0.000 0.643 184 A CB -1.182 17.805 19.000 -0.022 0.000 0.806 184 A HN 0.759 nan 8.150 nan 0.000 0.451 185 G N -0.457 108.335 108.800 -0.014 0.000 2.425 185 G HA2 -0.020 3.939 3.960 -0.002 0.000 0.213 185 G HA3 -0.020 3.939 3.960 -0.002 0.000 0.213 185 G C 1.347 176.230 174.900 -0.028 0.000 1.201 185 G CA 0.805 45.889 45.100 -0.026 0.000 0.799 185 G HN 0.469 nan 8.290 nan 0.000 0.534 186 L N 1.483 122.692 121.223 -0.022 0.000 2.351 186 L HA 0.043 4.382 4.340 -0.002 0.000 0.220 186 L C 2.751 179.631 176.870 0.017 0.000 1.127 186 L CA 1.697 56.513 54.840 -0.040 0.000 0.786 186 L CB -0.451 41.513 42.059 -0.159 0.000 0.914 186 L HN 0.269 nan 8.230 nan 0.000 0.443 187 A N -0.925 121.881 122.820 -0.023 0.000 1.844 187 A HA 0.171 4.490 4.320 -0.002 0.000 0.212 187 A C 2.374 179.894 177.584 -0.107 0.000 1.221 187 A CA 0.969 52.977 52.037 -0.048 0.000 0.607 187 A CB -1.231 17.736 19.000 -0.055 0.000 0.878 187 A HN 0.422 nan 8.150 nan 0.000 0.451 188 A N -0.092 122.667 122.820 -0.101 0.000 2.084 188 A HA 0.129 4.448 4.320 -0.002 0.000 0.221 188 A C 2.283 179.662 177.584 -0.342 0.000 1.161 188 A CA 2.111 54.046 52.037 -0.169 0.000 0.653 188 A CB -0.886 18.112 19.000 -0.003 0.000 0.802 188 A HN 0.964 nan 8.150 nan 0.000 0.457 189 A N -0.386 122.306 122.820 -0.214 0.000 1.821 189 A HA 0.142 4.461 4.320 -0.002 0.000 0.215 189 A C 1.250 178.578 177.584 -0.426 0.000 1.214 189 A CA 1.204 53.062 52.037 -0.298 0.000 0.608 189 A CB -0.744 18.094 19.000 -0.270 0.000 0.862 189 A HN 0.484 nan 8.150 nan 0.000 0.448 190 F N 0.465 120.290 119.950 -0.210 0.000 2.757 190 F HA 0.196 4.722 4.527 -0.002 0.000 0.292 190 F C 0.929 176.574 175.800 -0.259 0.000 1.204 190 F CA 0.038 57.943 58.000 -0.158 0.000 1.417 190 F CB -1.371 37.580 39.000 -0.082 0.000 1.001 190 F HN 0.453 nan 8.300 nan 0.000 0.508 191 N N 1.607 120.073 118.700 -0.390 0.000 2.675 191 N HA -0.279 4.460 4.740 -0.002 0.000 0.252 191 N C -0.300 175.150 175.510 -0.100 0.000 1.008 191 N CA 0.753 53.572 53.050 -0.384 0.000 0.779 191 N CB -0.451 37.874 38.487 -0.269 0.000 0.954 191 N HN 0.370 nan 8.380 nan 0.000 0.541 192 A N -0.127 122.661 122.820 -0.055 0.000 2.938 192 A HA 0.418 4.737 4.320 -0.002 0.000 0.344 192 A C -0.928 176.614 177.584 -0.070 0.000 1.142 192 A CA -0.904 51.108 52.037 -0.041 0.000 0.841 192 A CB 0.890 19.872 19.000 -0.029 0.000 1.083 192 A HN 0.305 nan 8.150 nan 0.000 0.479 193 P HA -0.248 nan 4.420 nan 0.000 0.215 193 P C 1.619 178.829 177.300 -0.150 0.000 1.157 193 P CA 1.064 64.097 63.100 -0.112 0.000 0.874 193 P CB 0.187 31.822 31.700 -0.110 0.000 0.790 194 L N -0.326 120.816 121.223 -0.135 0.000 1.956 194 L HA -0.217 4.122 4.340 -0.002 0.000 0.216 194 L C 2.933 179.739 176.870 -0.106 0.000 1.073 194 L CA 2.116 56.873 54.840 -0.138 0.000 0.762 194 L CB -1.510 40.490 42.059 -0.098 0.000 0.889 194 L HN -0.022 nan 8.230 nan 0.000 0.433 195 A N 0.281 123.046 122.820 -0.091 0.000 1.903 195 A HA -0.239 4.080 4.320 -0.002 0.000 0.219 195 A C 2.351 179.908 177.584 -0.045 0.000 1.191 195 A CA 2.158 54.145 52.037 -0.082 0.000 0.638 195 A CB -1.527 17.382 19.000 -0.151 0.000 0.823 195 A HN 0.542 nan 8.150 nan 0.000 0.451 196 G N 0.011 108.769 108.800 -0.070 0.000 2.553 196 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.218 196 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.218 196 G C 1.533 176.450 174.900 0.029 0.000 1.195 196 G CA 1.370 46.460 45.100 -0.018 0.000 0.779 196 G HN 0.522 nan 8.290 nan 0.000 0.577 197 I N 0.201 120.733 120.570 -0.063 0.000 2.072 197 I HA -0.134 4.035 4.170 -0.002 0.000 0.235 197 I C 2.638 178.759 176.117 0.006 0.000 1.058 197 I CA 0.600 61.859 61.300 -0.068 0.000 1.320 197 I CB -0.429 37.445 38.000 -0.210 0.000 1.047 197 I HN 0.040 nan 8.210 nan 0.000 0.397 198 L N 0.218 121.444 121.223 0.004 0.000 2.283 198 L HA -0.279 4.060 4.340 -0.002 0.000 0.217 198 L C 2.477 179.404 176.870 0.096 0.000 1.104 198 L CA 2.002 56.863 54.840 0.035 0.000 0.772 198 L CB -1.108 40.962 42.059 0.019 0.000 0.899 198 L HN 0.302 nan 8.230 nan 0.000 0.439 199 F N 0.824 120.741 119.950 -0.055 0.000 2.074 199 F HA -0.177 4.349 4.527 -0.002 0.000 0.293 199 F C 2.255 178.036 175.800 -0.031 0.000 1.116 199 F CA 1.118 59.094 58.000 -0.040 0.000 1.212 199 F CB -0.544 38.419 39.000 -0.062 0.000 0.998 199 F HN -0.071 nan 8.300 nan 0.000 0.471 200 I N 1.108 121.545 120.570 -0.221 0.000 2.908 200 I HA -0.206 3.963 4.170 -0.002 0.000 0.271 200 I C 1.850 177.835 176.117 -0.220 0.000 1.275 200 I CA 1.246 62.348 61.300 -0.329 0.000 1.446 200 I CB -0.899 37.017 38.000 -0.140 0.000 1.092 200 I HN 0.470 nan 8.210 nan 0.000 0.482 201 I N -3.934 116.555 120.570 -0.135 0.000 4.050 201 I HA 0.277 4.446 4.170 -0.002 0.000 0.327 201 I C 1.271 177.339 176.117 -0.083 0.000 1.473 201 I CA 0.167 61.411 61.300 -0.093 0.000 1.124 201 I CB 0.170 38.150 38.000 -0.034 0.000 1.129 201 I HN 0.075 nan 8.210 nan 0.000 0.428 202 E N 0.755 120.899 120.200 -0.093 0.000 2.441 202 E HA -0.008 4.341 4.350 -0.002 0.000 0.207 202 E C 1.216 177.769 176.600 -0.079 0.000 0.803 202 E CA 0.304 56.669 56.400 -0.057 0.000 1.240 202 E CB 0.768 30.470 29.700 0.004 0.000 1.233 202 E HN 0.495 nan 8.360 nan 0.000 0.590 203 E N 0.200 120.324 120.200 -0.128 0.000 2.587 203 E HA 0.110 4.460 4.350 -0.002 0.000 0.260 203 E C 1.922 178.366 176.600 -0.260 0.000 0.928 203 E CA 0.438 56.763 56.400 -0.124 0.000 1.084 203 E CB -0.245 29.490 29.700 0.059 0.000 2.100 203 E HN -0.040 nan 8.360 nan 0.000 0.551 204 M N 0.960 120.239 119.600 -0.534 0.000 2.622 204 M HA -0.284 4.195 4.480 -0.002 0.000 0.257 204 M C 1.131 177.274 176.300 -0.262 0.000 1.047 204 M CA 1.590 56.620 55.300 -0.449 0.000 1.054 204 M CB -1.272 30.921 32.600 -0.679 0.000 1.295 204 M HN 0.231 nan 8.290 nan 0.000 0.462 205 R N 2.456 122.800 120.500 -0.259 0.000 2.584 205 R HA -0.073 4.266 4.340 -0.002 0.000 0.315 205 R C -2.187 174.023 176.300 -0.149 0.000 0.863 205 R CA -0.532 55.456 56.100 -0.187 0.000 1.139 205 R CB -0.270 29.932 30.300 -0.163 0.000 0.880 205 R HN 0.107 nan 8.270 nan 0.000 0.413 206 P HA -0.101 nan 4.420 nan 0.000 0.247 206 P C -0.038 177.220 177.300 -0.069 0.000 1.147 206 P CA 0.442 63.514 63.100 -0.048 0.000 0.964 206 P CB 0.361 32.037 31.700 -0.041 0.000 0.944 207 Q N 2.350 122.041 119.800 -0.181 0.000 2.268 207 Q HA -0.173 4.166 4.340 -0.002 0.000 0.210 207 Q C 0.486 176.047 176.000 -0.731 0.000 0.988 207 Q CA 1.863 57.333 55.803 -0.556 0.000 0.883 207 Q CB -0.406 27.771 28.738 -0.934 0.000 0.911 207 Q HN 0.449 nan 8.270 nan 0.000 0.430 208 F N -0.249 119.706 119.950 0.008 0.000 2.772 208 F HA 0.346 4.872 4.527 -0.001 0.000 0.302 208 F C -0.046 175.776 175.800 0.036 0.000 1.136 208 F CA -0.530 57.483 58.000 0.022 0.000 1.322 208 F CB 0.301 39.312 39.000 0.019 0.000 0.967 208 F HN -0.106 nan 8.300 nan 0.000 0.513 209 R N -1.794 118.792 120.500 0.143 0.000 2.687 209 R HA 0.311 4.650 4.340 -0.002 0.000 0.265 209 R C -1.624 174.761 176.300 0.143 0.000 1.048 209 R CA -0.987 55.202 56.100 0.148 0.000 0.884 209 R CB 0.707 31.098 30.300 0.152 0.000 1.258 209 R HN -0.049 nan 8.270 nan 0.000 0.469 210 Y N 1.737 122.058 120.300 0.036 0.000 2.578 210 Y HA 0.290 4.839 4.550 -0.002 0.000 0.339 210 Y C -0.784 175.143 175.900 0.046 0.000 1.231 210 Y CA 1.178 59.295 58.100 0.028 0.000 1.461 210 Y CB 1.013 39.490 38.460 0.027 0.000 1.323 210 Y HN 0.739 nan 8.280 nan 0.000 0.590 211 T N 6.315 120.565 114.554 -0.508 0.000 2.903 211 T HA 0.348 4.698 4.350 -0.002 0.000 0.299 211 T C -0.666 173.722 174.700 -0.519 0.000 1.093 211 T CA -0.841 61.057 62.100 -0.337 0.000 1.002 211 T CB 1.271 70.058 68.868 -0.135 0.000 1.127 211 T HN 0.418 nan 8.240 nan 0.000 0.488 212 L N 1.667 122.764 121.223 -0.211 0.000 2.934 212 L HA 0.400 4.739 4.340 -0.002 0.000 0.233 212 L C -0.183 176.646 176.870 -0.069 0.000 1.358 212 L CA 0.313 55.047 54.840 -0.176 0.000 1.233 212 L CB -1.197 40.799 42.059 -0.104 0.000 1.594 212 L HN 0.488 nan 8.230 nan 0.000 0.439 213 I N -0.589 119.928 120.570 -0.088 0.000 2.315 213 I HA 0.147 4.316 4.170 -0.002 0.000 0.291 213 I C 0.762 176.858 176.117 -0.035 0.000 1.006 213 I CA -0.157 61.124 61.300 -0.032 0.000 1.265 213 I CB 1.350 39.322 38.000 -0.046 0.000 1.387 213 I HN 0.134 nan 8.210 nan 0.000 0.475 214 S N 7.183 122.878 115.700 -0.008 0.000 3.036 214 S HA 0.183 4.652 4.470 -0.002 0.000 0.301 214 S C 1.651 176.264 174.600 0.022 0.000 1.205 214 S CA -0.658 57.542 58.200 0.001 0.000 0.999 214 S CB -0.167 63.036 63.200 0.005 0.000 1.337 214 S HN 0.464 nan 8.310 nan 0.000 0.515 215 I N 4.266 124.852 120.570 0.027 0.000 2.130 215 I HA -0.308 3.861 4.170 -0.002 0.000 0.241 215 I C 2.486 178.670 176.117 0.112 0.000 1.023 215 I CA 1.900 63.248 61.300 0.080 0.000 1.293 215 I CB -1.114 36.917 38.000 0.053 0.000 1.001 215 I HN 0.674 nan 8.210 nan 0.000 0.407 216 K N 0.746 121.142 120.400 -0.006 0.000 2.286 216 K HA -0.173 4.146 4.320 -0.002 0.000 0.203 216 K C 1.988 178.619 176.600 0.050 0.000 1.045 216 K CA 1.528 57.781 56.287 -0.057 0.000 0.935 216 K CB 0.028 32.471 32.500 -0.095 0.000 0.737 216 K HN 0.374 nan 8.250 nan 0.000 0.460 217 A N 0.247 123.104 122.820 0.062 0.000 1.943 217 A HA 0.018 4.337 4.320 -0.002 0.000 0.213 217 A C 2.103 179.739 177.584 0.087 0.000 1.181 217 A CA 0.720 52.793 52.037 0.060 0.000 0.653 217 A CB -0.203 18.819 19.000 0.036 0.000 0.833 217 A HN 0.124 nan 8.150 nan 0.000 0.451 218 V N -0.798 119.182 119.914 0.111 0.000 2.255 218 V HA -0.272 3.847 4.120 -0.002 0.000 0.247 218 V C 2.234 178.409 176.094 0.134 0.000 1.051 218 V CA 2.225 64.585 62.300 0.100 0.000 1.018 218 V CB -1.160 30.723 31.823 0.101 0.000 0.641 218 V HN 0.507 nan 8.190 nan 0.000 0.445 219 F N 0.079 120.025 119.950 -0.008 0.000 2.045 219 F HA -0.284 4.242 4.527 -0.002 0.000 0.297 219 F C 2.266 178.063 175.800 -0.006 0.000 1.114 219 F CA 2.247 60.244 58.000 -0.005 0.000 1.207 219 F CB -0.579 38.418 39.000 -0.004 0.000 0.964 219 F HN 0.042 nan 8.300 nan 0.000 0.486 220 I N -0.780 119.913 120.570 0.205 0.000 2.264 220 I HA -0.271 3.898 4.170 -0.002 0.000 0.248 220 I C 2.668 178.810 176.117 0.041 0.000 1.111 220 I CA 1.378 62.738 61.300 0.100 0.000 1.382 220 I CB -1.255 36.783 38.000 0.064 0.000 1.060 220 I HN 0.250 nan 8.210 nan 0.000 0.418 221 G N 0.763 109.581 108.800 0.030 0.000 2.453 221 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.215 221 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.215 221 G C 1.684 176.579 174.900 -0.007 0.000 1.201 221 G CA 0.938 46.037 45.100 -0.002 0.000 0.784 221 G HN 0.202 nan 8.290 nan 0.000 0.545 222 V N 1.472 121.376 119.914 -0.017 0.000 2.222 222 V HA -0.299 3.820 4.120 -0.002 0.000 0.252 222 V C 2.743 178.819 176.094 -0.031 0.000 1.060 222 V CA 2.087 64.359 62.300 -0.047 0.000 1.027 222 V CB -0.717 31.034 31.823 -0.121 0.000 0.644 222 V HN 0.416 nan 8.190 nan 0.000 0.448 223 I N -1.014 119.542 120.570 -0.024 0.000 2.064 223 I HA -0.394 3.775 4.170 -0.002 0.000 0.234 223 I C 2.693 178.822 176.117 0.020 0.000 1.019 223 I CA 2.135 63.437 61.300 0.004 0.000 1.301 223 I CB -0.490 37.530 38.000 0.034 0.000 1.017 223 I HN 0.286 nan 8.210 nan 0.000 0.392 224 M N 0.603 120.214 119.600 0.019 0.000 2.124 224 M HA -0.296 4.183 4.480 -0.002 0.000 0.253 224 M C 2.620 178.940 176.300 0.034 0.000 1.077 224 M CA 2.644 57.956 55.300 0.019 0.000 1.085 224 M CB -1.805 30.792 32.600 -0.005 0.000 1.320 224 M HN 0.569 nan 8.290 nan 0.000 0.404 225 S N -1.464 114.252 115.700 0.026 0.000 2.387 225 S HA -0.097 4.372 4.470 -0.002 0.000 0.226 225 S C 1.928 176.584 174.600 0.094 0.000 1.026 225 S CA 1.697 59.924 58.200 0.044 0.000 0.972 225 S CB -0.732 62.477 63.200 0.015 0.000 0.814 225 S HN 0.475 nan 8.310 nan 0.000 0.477 226 T N 2.528 117.127 114.554 0.074 0.000 2.720 226 T HA -0.012 4.337 4.350 -0.002 0.000 0.268 226 T C 1.610 176.415 174.700 0.174 0.000 1.037 226 T CA 1.676 63.845 62.100 0.115 0.000 1.144 226 T CB -0.512 68.389 68.868 0.054 0.000 0.864 226 T HN 0.332 nan 8.240 nan 0.000 0.444 227 I N 1.021 121.661 120.570 0.116 0.000 2.142 227 I HA -0.148 4.021 4.170 -0.002 0.000 0.240 227 I C 2.365 178.571 176.117 0.148 0.000 1.078 227 I CA 1.258 62.624 61.300 0.109 0.000 1.343 227 I CB -0.526 37.517 38.000 0.073 0.000 1.046 227 I HN 0.195 nan 8.210 nan 0.000 0.405 228 M N -0.919 118.777 119.600 0.159 0.000 2.082 228 M HA -0.281 4.198 4.480 -0.002 0.000 0.258 228 M C 2.460 178.935 176.300 0.291 0.000 1.069 228 M CA 1.898 57.330 55.300 0.220 0.000 1.102 228 M CB -1.591 31.090 32.600 0.135 0.000 1.336 228 M HN 0.321 nan 8.290 nan 0.000 0.404 229 Y N 1.328 121.703 120.300 0.124 0.000 2.070 229 Y HA -0.224 4.325 4.550 -0.002 0.000 0.280 229 Y C 2.465 178.461 175.900 0.161 0.000 1.148 229 Y CA 1.887 60.057 58.100 0.118 0.000 1.125 229 Y CB -0.359 38.134 38.460 0.056 0.000 0.975 229 Y HN 0.102 nan 8.280 nan 0.000 0.492 230 R N 0.235 120.781 120.500 0.075 0.000 2.170 230 R HA -0.173 4.166 4.340 -0.002 0.000 0.242 230 R C 2.098 178.378 176.300 -0.033 0.000 1.145 230 R CA 1.455 57.545 56.100 -0.017 0.000 0.984 230 R CB -0.683 29.682 30.300 0.108 0.000 0.869 230 R HN 0.459 nan 8.270 nan 0.000 0.455 231 I N -0.186 120.395 120.570 0.019 0.000 2.286 231 I HA -0.211 3.958 4.170 -0.002 0.000 0.248 231 I C 1.225 177.141 176.117 -0.336 0.000 1.115 231 I CA 1.408 62.623 61.300 -0.141 0.000 1.392 231 I CB -0.602 37.267 38.000 -0.219 0.000 1.065 231 I HN -0.020 nan 8.210 nan 0.000 0.418 232 F N 0.040 119.897 119.950 -0.154 0.000 2.668 232 F HA 0.285 4.811 4.527 -0.001 0.000 0.301 232 F C 1.304 176.863 175.800 -0.401 0.000 1.106 232 F CA -0.100 57.771 58.000 -0.214 0.000 1.289 232 F CB -0.374 38.533 39.000 -0.155 0.000 1.006 232 F HN 0.034 nan 8.300 nan 0.000 0.535 233 N N -0.902 117.546 118.700 -0.420 0.000 1.986 233 N HA -0.018 4.721 4.740 -0.002 0.000 0.227 233 N C 0.165 175.418 175.510 -0.428 0.000 1.387 233 N CA 0.005 52.738 53.050 -0.527 0.000 0.810 233 N CB 0.309 38.243 38.487 -0.921 0.000 1.140 233 N HN 0.371 nan 8.380 nan 0.000 0.504 234 H N 0.906 119.877 119.070 -0.165 0.000 2.990 234 H HA -0.007 4.548 4.556 -0.001 0.000 0.383 234 H C 0.893 176.189 175.328 -0.052 0.000 1.439 234 H CA 1.023 57.017 56.048 -0.089 0.000 1.442 234 H CB 0.269 29.979 29.762 -0.087 0.000 1.424 234 H HN 0.048 nan 8.280 nan 0.000 0.597 235 E N -2.391 117.909 120.200 0.166 0.000 5.006 235 E HA -0.267 4.082 4.350 -0.002 0.000 0.214 235 E C -0.661 175.963 176.600 0.040 0.000 0.970 235 E CA 1.641 58.105 56.400 0.105 0.000 1.705 235 E CB -0.956 28.837 29.700 0.155 0.000 1.789 235 E HN 0.398 nan 8.360 nan 0.000 0.384 236 V N -0.207 119.710 119.914 0.005 0.000 2.555 236 V HA 0.762 4.881 4.120 -0.002 0.000 0.302 236 V C 0.164 176.278 176.094 0.033 0.000 1.038 236 V CA -0.077 62.227 62.300 0.006 0.000 0.887 236 V CB 1.705 33.520 31.823 -0.015 0.000 0.991 236 V HN 0.307 nan 8.190 nan 0.000 0.434 237 A N 3.032 125.870 122.820 0.030 0.000 2.284 237 A HA 0.846 5.165 4.320 -0.002 0.000 0.317 237 A C 0.624 178.203 177.584 -0.008 0.000 1.120 237 A CA -0.677 51.382 52.037 0.036 0.000 0.900 237 A CB 1.101 20.110 19.000 0.015 0.000 1.319 237 A HN 0.809 nan 8.150 nan 0.000 0.494 238 L N -0.576 120.610 121.223 -0.062 0.000 2.202 238 L HA 0.250 4.589 4.340 -0.002 0.000 0.205 238 L C -0.065 176.632 176.870 -0.289 0.000 1.083 238 L CA 1.064 55.783 54.840 -0.201 0.000 0.790 238 L CB -0.196 41.661 42.059 -0.338 0.000 0.942 238 L HN 0.462 nan 8.230 nan 0.000 0.452 239 I N -0.221 120.215 120.570 -0.223 0.000 2.466 239 I HA 0.227 4.396 4.170 -0.002 0.000 0.289 239 I C -1.104 174.965 176.117 -0.080 0.000 1.026 239 I CA -0.358 60.837 61.300 -0.175 0.000 1.078 239 I CB 2.458 40.343 38.000 -0.192 0.000 1.249 239 I HN -0.104 nan 8.210 nan 0.000 0.429 240 D N 6.285 126.656 120.400 -0.048 0.000 2.404 240 D HA 0.246 4.885 4.640 -0.002 0.000 0.267 240 D C 0.215 176.509 176.300 -0.011 0.000 1.194 240 D CA -0.139 53.847 54.000 -0.022 0.000 0.910 240 D CB 1.715 42.507 40.800 -0.014 0.000 1.090 240 D HN 0.214 nan 8.370 nan 0.000 0.511 241 V N 1.678 121.587 119.914 -0.007 0.000 3.647 241 V HA 0.285 4.404 4.120 -0.002 0.000 0.279 241 V C 1.341 177.439 176.094 0.007 0.000 1.314 241 V CA 0.601 62.903 62.300 0.004 0.000 1.125 241 V CB -0.443 31.386 31.823 0.010 0.000 0.907 241 V HN 0.751 nan 8.190 nan 0.000 0.434 242 G N 1.212 110.014 108.800 0.004 0.000 2.888 242 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.441 242 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.441 242 G C -0.369 174.535 174.900 0.007 0.000 1.461 242 G CA -0.167 44.937 45.100 0.006 0.000 0.897 242 G HN 0.439 nan 8.290 nan 0.000 0.547 243 K N 0.017 120.421 120.400 0.007 0.000 2.349 243 K HA 0.560 4.879 4.320 -0.002 0.000 0.289 243 K C 0.915 177.519 176.600 0.007 0.000 1.064 243 K CA -0.239 56.051 56.287 0.006 0.000 0.947 243 K CB 0.132 32.635 32.500 0.006 0.000 1.007 243 K HN 0.481 nan 8.250 nan 0.000 0.478 244 L N 2.604 123.830 121.223 0.005 0.000 2.431 244 L HA 0.343 4.682 4.340 -0.002 0.000 0.260 244 L C 0.703 177.576 176.870 0.005 0.000 1.098 244 L CA -0.881 53.966 54.840 0.013 0.000 0.800 244 L CB 1.305 43.375 42.059 0.018 0.000 1.210 244 L HN 0.800 nan 8.230 nan 0.000 0.465 245 S N -0.818 114.893 115.700 0.019 0.000 2.598 245 S HA 0.092 4.561 4.470 -0.002 0.000 0.256 245 S C -0.436 174.154 174.600 -0.017 0.000 1.350 245 S CA -0.855 57.352 58.200 0.012 0.000 0.984 245 S CB 0.505 63.728 63.200 0.039 0.000 0.930 245 S HN 0.500 nan 8.310 nan 0.000 0.577 246 D N 0.236 120.618 120.400 -0.031 0.000 2.511 246 D HA 0.599 5.238 4.640 -0.002 0.000 0.276 246 D C -0.534 175.723 176.300 -0.071 0.000 1.220 246 D CA -0.559 53.397 54.000 -0.075 0.000 1.077 246 D CB 0.684 41.435 40.800 -0.081 0.000 1.126 246 D HN 0.784 nan 8.370 nan 0.000 0.583 247 A N 1.012 123.759 122.820 -0.122 0.000 2.410 247 A HA 0.480 4.799 4.320 -0.002 0.000 0.289 247 A C -2.494 175.024 177.584 -0.111 0.000 1.200 247 A CA -1.197 50.773 52.037 -0.111 0.000 0.751 247 A CB 0.684 19.551 19.000 -0.222 0.000 1.161 247 A HN 0.300 nan 8.150 nan 0.000 0.459 248 P HA 0.055 nan 4.420 nan 0.000 0.266 248 P C 1.189 178.440 177.300 -0.080 0.000 1.195 248 P CA -0.212 62.849 63.100 -0.065 0.000 0.768 248 P CB 0.728 32.406 31.700 -0.037 0.000 0.838 249 L N 1.756 122.942 121.223 -0.063 0.000 2.064 249 L HA -0.284 4.056 4.340 -0.002 0.000 0.216 249 L C 2.274 179.128 176.870 -0.027 0.000 1.077 249 L CA 2.415 57.227 54.840 -0.045 0.000 0.766 249 L CB -1.155 40.889 42.059 -0.025 0.000 0.890 249 L HN 0.559 nan 8.230 nan 0.000 0.435 250 N N -0.037 118.634 118.700 -0.049 0.000 2.453 250 N HA -0.157 4.582 4.740 -0.002 0.000 0.183 250 N C 1.410 176.824 175.510 -0.160 0.000 1.041 250 N CA 1.624 54.648 53.050 -0.043 0.000 0.900 250 N CB -0.763 37.709 38.487 -0.027 0.000 0.961 250 N HN 0.460 nan 8.380 nan 0.000 0.443 251 T N -2.425 111.946 114.554 -0.306 0.000 3.206 251 T HA 0.306 4.655 4.350 -0.002 0.000 0.253 251 T C 1.602 176.229 174.700 -0.122 0.000 1.042 251 T CA -0.461 61.379 62.100 -0.433 0.000 0.931 251 T CB -0.363 68.277 68.868 -0.381 0.000 1.029 251 T HN 0.048 nan 8.240 nan 0.000 0.564 252 L N 0.391 121.623 121.223 0.015 0.000 1.988 252 L HA 0.057 4.396 4.340 -0.002 0.000 0.207 252 L C 3.004 179.962 176.870 0.147 0.000 1.071 252 L CA 1.673 56.568 54.840 0.092 0.000 0.744 252 L CB -0.683 41.402 42.059 0.043 0.000 0.893 252 L HN 0.577 nan 8.230 nan 0.000 0.433 253 W N 0.762 122.099 121.300 0.062 0.000 2.274 253 W HA -0.298 4.361 4.660 -0.002 0.000 0.314 253 W C 1.790 178.391 176.519 0.137 0.000 1.254 253 W CA 1.048 58.442 57.345 0.082 0.000 1.265 253 W CB -1.549 27.945 29.460 0.058 0.000 1.141 253 W HN 0.183 nan 8.180 nan 0.000 0.505 254 L N -0.063 120.647 121.223 -0.854 0.000 2.189 254 L HA -0.274 4.065 4.340 -0.002 0.000 0.214 254 L C 2.517 179.297 176.870 -0.151 0.000 1.097 254 L CA 1.904 56.333 54.840 -0.684 0.000 0.764 254 L CB -0.919 40.728 42.059 -0.686 0.000 0.900 254 L HN -0.027 nan 8.230 nan 0.000 0.436 255 Y N -1.591 118.656 120.300 -0.090 0.000 2.519 255 Y HA -0.102 4.447 4.550 -0.001 0.000 0.287 255 Y C 1.989 177.814 175.900 -0.124 0.000 1.128 255 Y CA 0.170 58.187 58.100 -0.138 0.000 1.282 255 Y CB -0.021 38.293 38.460 -0.244 0.000 1.027 255 Y HN 0.076 nan 8.280 nan 0.000 0.551 256 L N -0.590 120.696 121.223 0.105 0.000 2.179 256 L HA -0.064 4.275 4.340 -0.002 0.000 0.208 256 L C 1.854 178.776 176.870 0.086 0.000 1.096 256 L CA 1.294 56.192 54.840 0.096 0.000 0.779 256 L CB -0.479 41.671 42.059 0.153 0.000 0.922 256 L HN 0.061 nan 8.230 nan 0.000 0.443 257 I N -0.404 120.231 120.570 0.109 0.000 2.142 257 I HA -0.257 3.912 4.170 -0.002 0.000 0.240 257 I C 2.499 178.600 176.117 -0.027 0.000 1.078 257 I CA 1.391 62.782 61.300 0.152 0.000 1.343 257 I CB -1.220 36.974 38.000 0.323 0.000 1.046 257 I HN 0.327 nan 8.210 nan 0.000 0.405 258 L N 1.112 122.085 121.223 -0.415 0.000 2.189 258 L HA -0.142 4.197 4.340 -0.002 0.000 0.214 258 L C 2.237 179.031 176.870 -0.127 0.000 1.097 258 L CA 2.044 56.468 54.840 -0.693 0.000 0.764 258 L CB -0.787 40.687 42.059 -0.976 0.000 0.900 258 L HN 0.229 nan 8.230 nan 0.000 0.436 259 G N -0.222 108.541 108.800 -0.062 0.000 2.454 259 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.214 259 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.214 259 G C 1.512 176.468 174.900 0.093 0.000 1.217 259 G CA 0.867 45.973 45.100 0.010 0.000 0.799 259 G HN 0.448 nan 8.290 nan 0.000 0.538 260 I N 0.832 121.451 120.570 0.082 0.000 2.290 260 I HA -0.256 3.913 4.170 -0.002 0.000 0.253 260 I C 2.607 178.798 176.117 0.122 0.000 1.112 260 I CA 0.916 62.280 61.300 0.106 0.000 1.377 260 I CB -0.242 37.831 38.000 0.121 0.000 1.060 260 I HN 0.173 nan 8.210 nan 0.000 0.428 261 I N -0.366 120.276 120.570 0.120 0.000 2.286 261 I HA -0.257 3.912 4.170 -0.002 0.000 0.245 261 I C 2.234 178.400 176.117 0.081 0.000 1.104 261 I CA 1.497 62.850 61.300 0.088 0.000 1.397 261 I CB -0.220 37.807 38.000 0.045 0.000 1.072 261 I HN 0.078 nan 8.210 nan 0.000 0.417 262 F N 0.745 120.691 119.950 -0.008 0.000 2.407 262 F HA -0.026 4.500 4.527 -0.001 0.000 0.299 262 F C 2.431 178.277 175.800 0.076 0.000 1.097 262 F CA 1.160 59.184 58.000 0.038 0.000 1.422 262 F CB -0.803 38.180 39.000 -0.028 0.000 1.067 262 F HN 0.000 nan 8.300 nan 0.000 0.539 263 G N 0.598 109.526 108.800 0.214 0.000 2.422 263 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.218 263 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.218 263 G C 1.673 176.632 174.900 0.098 0.000 1.140 263 G CA 1.075 46.246 45.100 0.119 0.000 0.775 263 G HN 0.524 nan 8.290 nan 0.000 0.545 264 I N -3.414 117.226 120.570 0.118 0.000 2.703 264 I HA 0.340 4.509 4.170 -0.002 0.000 0.259 264 I C 2.304 178.474 176.117 0.088 0.000 1.151 264 I CA 0.411 61.769 61.300 0.096 0.000 1.470 264 I CB -0.120 37.945 38.000 0.108 0.000 1.112 264 I HN 0.038 nan 8.210 nan 0.000 0.437 265 F N 2.587 122.511 119.950 -0.044 0.000 2.512 265 F HA 0.342 4.868 4.527 -0.002 0.000 0.296 265 F C 2.172 177.922 175.800 -0.084 0.000 1.110 265 F CA 0.756 58.696 58.000 -0.100 0.000 1.446 265 F CB -0.157 38.747 39.000 -0.161 0.000 1.092 265 F HN 0.055 nan 8.300 nan 0.000 0.554 266 G N 1.990 110.834 108.800 0.074 0.000 2.480 266 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.216 266 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.216 266 G C -0.573 174.260 174.900 -0.111 0.000 1.200 266 G CA 1.037 46.152 45.100 0.025 0.000 0.782 266 G HN 0.326 nan 8.290 nan 0.000 0.554 267 P HA -0.014 nan 4.420 nan 0.000 0.217 267 P C 2.081 179.237 177.300 -0.240 0.000 1.151 267 P CA 0.776 63.805 63.100 -0.118 0.000 0.828 267 P CB -0.047 31.618 31.700 -0.058 0.000 0.788 268 I N -0.885 119.459 120.570 -0.376 0.000 2.118 268 I HA -0.260 3.909 4.170 -0.002 0.000 0.241 268 I C 2.430 177.962 176.117 -0.975 0.000 1.070 268 I CA 1.626 62.558 61.300 -0.614 0.000 1.327 268 I CB -0.810 36.756 38.000 -0.723 0.000 1.034 268 I HN -0.163 nan 8.210 nan 0.000 0.405 269 F N 1.810 121.033 119.950 -1.212 0.000 2.583 269 F HA -0.164 4.362 4.527 -0.001 0.000 0.297 269 F C 1.870 177.393 175.800 -0.461 0.000 1.131 269 F CA 1.380 58.785 58.000 -0.992 0.000 1.467 269 F CB -0.541 37.967 39.000 -0.820 0.000 1.097 269 F HN 0.126 nan 8.300 nan 0.000 0.586 270 N N -0.368 118.140 118.700 -0.321 0.000 2.258 270 N HA -0.100 4.639 4.740 -0.002 0.000 0.183 270 N C 1.690 177.119 175.510 -0.134 0.000 1.029 270 N CA 0.556 53.504 53.050 -0.171 0.000 0.857 270 N CB 0.033 38.474 38.487 -0.077 0.000 1.008 270 N HN 0.174 nan 8.380 nan 0.000 0.433 271 K N 0.742 121.079 120.400 -0.104 0.000 2.000 271 K HA -0.201 4.118 4.320 -0.002 0.000 0.218 271 K C 1.827 178.507 176.600 0.132 0.000 1.053 271 K CA 1.766 58.077 56.287 0.040 0.000 0.946 271 K CB -0.249 32.322 32.500 0.118 0.000 0.723 271 K HN 0.225 nan 8.250 nan 0.000 0.446 272 W N 0.433 121.615 121.300 -0.197 0.000 2.289 272 W HA -0.262 4.397 4.660 -0.001 0.000 0.331 272 W C 2.258 178.639 176.519 -0.229 0.000 1.283 272 W CA 0.892 58.104 57.345 -0.221 0.000 1.252 272 W CB -1.606 27.675 29.460 -0.298 0.000 1.153 272 W HN 0.046 nan 8.180 nan 0.000 0.467 273 V N 0.505 120.339 119.914 -0.135 0.000 2.313 273 V HA -0.318 3.801 4.120 -0.002 0.000 0.253 273 V C 2.142 178.277 176.094 0.069 0.000 1.070 273 V CA 2.177 64.427 62.300 -0.083 0.000 1.057 273 V CB -0.887 30.826 31.823 -0.183 0.000 0.653 273 V HN 0.087 nan 8.190 nan 0.000 0.450 274 L N 0.916 122.167 121.223 0.047 0.000 1.913 274 L HA 0.141 4.480 4.340 -0.002 0.000 0.217 274 L C 2.726 179.627 176.870 0.052 0.000 1.086 274 L CA 2.551 57.429 54.840 0.062 0.000 0.772 274 L CB -1.864 40.221 42.059 0.044 0.000 0.887 274 L HN 0.388 nan 8.230 nan 0.000 0.432 275 G N -0.723 108.105 108.800 0.047 0.000 2.732 275 G HA2 -0.459 3.500 3.960 -0.002 0.000 0.222 275 G HA3 -0.459 3.500 3.960 -0.002 0.000 0.222 275 G C 1.597 176.507 174.900 0.015 0.000 1.203 275 G CA 1.641 46.757 45.100 0.027 0.000 0.780 275 G HN 0.389 nan 8.290 nan 0.000 0.621 276 M N 1.778 121.390 119.600 0.019 0.000 2.331 276 M HA -0.178 4.301 4.480 -0.002 0.000 0.260 276 M C 2.616 178.941 176.300 0.041 0.000 1.072 276 M CA 2.346 57.654 55.300 0.014 0.000 1.065 276 M CB -0.476 32.140 32.600 0.026 0.000 1.392 276 M HN 0.680 nan 8.290 nan 0.000 0.427 277 Q N -2.228 117.605 119.800 0.054 0.000 2.389 277 Q HA -0.078 4.261 4.340 -0.002 0.000 0.204 277 Q C 0.916 176.939 176.000 0.039 0.000 0.944 277 Q CA 1.135 56.977 55.803 0.066 0.000 0.908 277 Q CB -0.168 28.610 28.738 0.067 0.000 1.002 277 Q HN 0.423 nan 8.270 nan 0.000 0.493 278 D N 1.733 122.140 120.400 0.012 0.000 2.146 278 D HA -0.086 4.553 4.640 -0.002 0.000 0.209 278 D C 1.995 178.300 176.300 0.009 0.000 0.973 278 D CA 0.675 54.671 54.000 -0.008 0.000 0.860 278 D CB -0.281 40.507 40.800 -0.019 0.000 1.015 278 D HN 0.211 nan 8.370 nan 0.000 0.465 279 L N 0.681 121.901 121.223 -0.006 0.000 2.189 279 L HA -0.139 4.200 4.340 -0.002 0.000 0.214 279 L C 1.969 178.829 176.870 -0.016 0.000 1.097 279 L CA 0.907 55.734 54.840 -0.021 0.000 0.764 279 L CB -0.011 42.029 42.059 -0.033 0.000 0.900 279 L HN 0.014 nan 8.230 nan 0.000 0.436 280 L N -1.437 119.797 121.223 0.018 0.000 2.567 280 L HA -0.095 4.244 4.340 -0.002 0.000 0.225 280 L C 2.049 178.942 176.870 0.038 0.000 1.119 280 L CA 0.093 54.960 54.840 0.045 0.000 0.871 280 L CB -0.160 41.956 42.059 0.096 0.000 1.036 280 L HN 0.348 nan 8.230 nan 0.000 0.459 281 H N 0.004 118.957 119.070 -0.195 0.000 2.415 281 H HA -0.027 4.528 4.556 -0.002 0.000 0.297 281 H C 2.283 177.223 175.328 -0.646 0.000 1.048 281 H CA 1.295 56.998 56.048 -0.574 0.000 1.365 281 H CB 0.294 29.806 29.762 -0.416 0.000 1.421 281 H HN 0.026 nan 8.280 nan 0.000 0.533 282 R N -0.312 119.996 120.500 -0.319 0.000 2.096 282 R HA -0.137 4.202 4.340 -0.002 0.000 0.240 282 R C 2.323 178.439 176.300 -0.306 0.000 1.139 282 R CA 1.700 57.624 56.100 -0.293 0.000 0.952 282 R CB -0.622 29.593 30.300 -0.142 0.000 0.854 282 R HN 0.181 nan 8.270 nan 0.000 0.436 283 V N 1.415 121.211 119.914 -0.198 0.000 2.527 283 V HA -0.268 3.852 4.120 -0.002 0.000 0.255 283 V C 1.805 177.836 176.094 -0.104 0.000 1.081 283 V CA 2.235 64.474 62.300 -0.102 0.000 1.092 283 V CB -0.770 31.048 31.823 -0.010 0.000 0.673 283 V HN 0.600 nan 8.190 nan 0.000 0.470 284 H N -2.202 116.650 119.070 -0.364 0.000 3.058 284 H HA 0.306 4.861 4.556 -0.002 0.000 0.266 284 H C 1.764 176.841 175.328 -0.418 0.000 1.135 284 H CA 0.725 56.561 56.048 -0.353 0.000 1.174 284 H CB 0.070 29.601 29.762 -0.385 0.000 1.581 284 H HN 0.340 nan 8.280 nan 0.000 0.553 285 G N 1.304 109.607 108.800 -0.829 0.000 2.279 285 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.269 285 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.269 285 G C 1.298 175.773 174.900 -0.708 0.000 0.992 285 G CA 1.585 46.240 45.100 -0.742 0.000 0.656 285 G HN 1.427 nan 8.290 nan 0.000 0.551 286 G N -1.321 107.098 108.800 -0.634 0.000 2.273 286 G HA2 -0.108 3.851 3.960 -0.002 0.000 0.162 286 G HA3 -0.108 3.851 3.960 -0.002 0.000 0.162 286 G C -0.103 174.863 174.900 0.110 0.000 1.006 286 G CA 0.609 45.619 45.100 -0.150 0.000 0.704 286 G HN 1.260 nan 8.290 nan 0.000 0.487 287 N N 1.080 119.823 118.700 0.072 0.000 2.420 287 N HA 0.379 5.118 4.740 -0.002 0.000 0.262 287 N C 1.668 177.326 175.510 0.247 0.000 1.144 287 N CA -0.022 53.107 53.050 0.132 0.000 0.952 287 N CB 0.401 38.921 38.487 0.054 0.000 1.081 287 N HN 0.211 nan 8.380 nan 0.000 0.480 288 I N 2.458 123.170 120.570 0.237 0.000 2.229 288 I HA -0.366 3.803 4.170 -0.002 0.000 0.250 288 I C 0.961 177.170 176.117 0.153 0.000 1.096 288 I CA 1.482 62.926 61.300 0.239 0.000 1.358 288 I CB 0.088 38.187 38.000 0.165 0.000 1.047 288 I HN 0.606 nan 8.210 nan 0.000 0.422 289 T N -0.118 114.485 114.554 0.082 0.000 3.035 289 T HA -0.029 4.320 4.350 -0.002 0.000 0.259 289 T C 1.754 176.472 174.700 0.030 0.000 1.078 289 T CA 0.411 62.521 62.100 0.018 0.000 1.132 289 T CB 0.087 68.941 68.868 -0.024 0.000 0.900 289 T HN 0.305 nan 8.240 nan 0.000 0.480 290 K N -0.228 120.211 120.400 0.065 0.000 2.288 290 K HA -0.022 4.297 4.320 -0.002 0.000 0.201 290 K C 1.734 178.362 176.600 0.046 0.000 1.048 290 K CA 0.498 56.814 56.287 0.048 0.000 0.956 290 K CB 0.068 32.598 32.500 0.050 0.000 0.746 290 K HN 0.324 nan 8.250 nan 0.000 0.461 291 W N 0.908 122.109 121.300 -0.165 0.000 2.619 291 W HA -0.058 4.601 4.660 -0.002 0.000 0.309 291 W C 1.789 178.063 176.519 -0.408 0.000 1.126 291 W CA 0.182 57.250 57.345 -0.462 0.000 1.472 291 W CB -0.785 28.423 29.460 -0.419 0.000 1.164 291 W HN -0.332 nan 8.180 nan 0.000 0.503 292 V N 1.495 121.411 119.914 0.003 0.000 2.511 292 V HA -0.328 3.791 4.120 -0.002 0.000 0.257 292 V C 2.343 178.354 176.094 -0.138 0.000 1.088 292 V CA 1.728 63.968 62.300 -0.101 0.000 1.098 292 V CB -0.934 30.866 31.823 -0.040 0.000 0.674 292 V HN 0.153 nan 8.190 nan 0.000 0.470 293 L N -1.588 119.578 121.223 -0.094 0.000 2.084 293 L HA -0.083 4.256 4.340 -0.002 0.000 0.202 293 L C 2.394 179.203 176.870 -0.103 0.000 1.074 293 L CA 1.650 56.446 54.840 -0.074 0.000 0.757 293 L CB -0.363 41.674 42.059 -0.036 0.000 0.918 293 L HN 0.327 nan 8.230 nan 0.000 0.444 294 M N -0.234 119.296 119.600 -0.118 0.000 2.337 294 M HA -0.160 4.319 4.480 -0.002 0.000 0.261 294 M C 1.813 177.977 176.300 -0.228 0.000 1.067 294 M CA 1.846 57.074 55.300 -0.121 0.000 1.074 294 M CB -0.347 32.190 32.600 -0.105 0.000 1.395 294 M HN 0.269 nan 8.290 nan 0.000 0.431 295 G N -0.401 108.116 108.800 -0.472 0.000 2.637 295 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.215 295 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.215 295 G C 1.323 176.111 174.900 -0.185 0.000 1.289 295 G CA 0.717 45.340 45.100 -0.794 0.000 0.816 295 G HN 0.566 nan 8.290 nan 0.000 0.580 296 G N 0.975 109.725 108.800 -0.085 0.000 2.532 296 G HA2 -0.011 3.948 3.960 -0.002 0.000 0.222 296 G HA3 -0.011 3.948 3.960 -0.002 0.000 0.222 296 G C 1.919 176.743 174.900 -0.127 0.000 1.102 296 G CA 1.709 46.784 45.100 -0.041 0.000 0.742 296 G HN 0.738 nan 8.290 nan 0.000 0.577 297 A N 0.772 123.543 122.820 -0.082 0.000 1.855 297 A HA 0.083 4.402 4.320 -0.002 0.000 0.215 297 A C 2.400 179.939 177.584 -0.075 0.000 1.191 297 A CA 1.281 53.299 52.037 -0.031 0.000 0.613 297 A CB -0.300 18.715 19.000 0.025 0.000 0.829 297 A HN 0.356 nan 8.150 nan 0.000 0.442 298 I N -0.403 120.141 120.570 -0.043 0.000 2.133 298 I HA -0.177 3.992 4.170 -0.002 0.000 0.238 298 I C 2.817 178.907 176.117 -0.044 0.000 1.074 298 I CA 1.190 62.489 61.300 -0.003 0.000 1.342 298 I CB -1.114 36.923 38.000 0.062 0.000 1.053 298 I HN 0.404 nan 8.210 nan 0.000 0.404 299 G N 0.958 109.746 108.800 -0.018 0.000 2.529 299 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.219 299 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.219 299 G C 1.696 176.472 174.900 -0.205 0.000 1.177 299 G CA 1.133 46.206 45.100 -0.045 0.000 0.773 299 G HN 0.517 nan 8.290 nan 0.000 0.573 300 G N 0.598 109.133 108.800 -0.443 0.000 2.442 300 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.219 300 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.219 300 G C 1.770 176.211 174.900 -0.764 0.000 1.141 300 G CA 1.081 45.620 45.100 -0.935 0.000 0.763 300 G HN 0.465 nan 8.290 nan 0.000 0.554 301 L N 0.646 121.599 121.223 -0.450 0.000 2.012 301 L HA -0.103 4.236 4.340 -0.002 0.000 0.210 301 L C 2.848 179.707 176.870 -0.018 0.000 1.073 301 L CA 1.907 56.710 54.840 -0.062 0.000 0.748 301 L CB -0.842 41.236 42.059 0.031 0.000 0.891 301 L HN 0.262 nan 8.230 nan 0.000 0.431 302 C N 0.084 119.358 119.300 -0.043 0.000 2.413 302 C HA -0.122 4.337 4.460 -0.002 0.000 0.277 302 C C 2.793 177.786 174.990 0.005 0.000 1.228 302 C CA 0.866 59.884 59.018 -0.001 0.000 1.731 302 C CB -2.036 25.704 27.740 0.000 0.000 2.042 302 C HN 0.782 nan 8.230 nan 0.000 0.468 303 G N -0.260 108.514 108.800 -0.045 0.000 2.462 303 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.220 303 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.220 303 G C 1.520 176.451 174.900 0.051 0.000 1.121 303 G CA 0.910 45.997 45.100 -0.021 0.000 0.758 303 G HN 0.501 nan 8.290 nan 0.000 0.559 304 L N -0.167 121.104 121.223 0.080 0.000 2.068 304 L HA 0.240 4.579 4.340 -0.002 0.000 0.204 304 L C 2.711 179.686 176.870 0.175 0.000 1.076 304 L CA 1.042 55.987 54.840 0.175 0.000 0.753 304 L CB -0.228 41.981 42.059 0.250 0.000 0.910 304 L HN 0.174 nan 8.230 nan 0.000 0.439 305 L N -0.540 120.763 121.223 0.133 0.000 2.083 305 L HA -0.121 4.218 4.340 -0.002 0.000 0.209 305 L C 2.273 179.230 176.870 0.144 0.000 1.083 305 L CA 1.227 56.144 54.840 0.128 0.000 0.752 305 L CB -1.188 40.929 42.059 0.097 0.000 0.899 305 L HN 0.427 nan 8.230 nan 0.000 0.433 306 G N -1.424 107.458 108.800 0.138 0.000 2.687 306 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.209 306 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.209 306 G C 0.760 175.814 174.900 0.257 0.000 1.146 306 G CA 0.230 45.421 45.100 0.151 0.000 0.787 306 G HN 0.378 nan 8.290 nan 0.000 0.532 307 F N -0.141 119.842 119.950 0.056 0.000 2.875 307 F HA 0.274 4.800 4.527 -0.002 0.000 0.334 307 F C 0.735 176.582 175.800 0.079 0.000 1.228 307 F CA -0.539 57.495 58.000 0.056 0.000 1.094 307 F CB 0.698 39.715 39.000 0.027 0.000 1.239 307 F HN 0.115 nan 8.300 nan 0.000 0.509 308 V N -1.422 118.490 119.914 -0.005 0.000 3.537 308 V HA 0.841 4.960 4.120 -0.002 0.000 0.315 308 V C 0.115 176.241 176.094 0.053 0.000 1.541 308 V CA 0.309 62.581 62.300 -0.046 0.000 1.160 308 V CB 0.058 31.893 31.823 0.019 0.000 0.998 308 V HN 0.738 nan 8.190 nan 0.000 0.473 309 A N 0.005 122.885 122.820 0.099 0.000 1.820 309 A HA 0.376 4.695 4.320 -0.002 0.000 0.234 309 A C -1.895 175.793 177.584 0.173 0.000 2.818 309 A CA 0.322 52.461 52.037 0.169 0.000 2.151 309 A CB -1.113 18.055 19.000 0.280 0.000 0.285 309 A HN 0.280 nan 8.150 nan 0.000 0.968 310 P HA -0.194 nan 4.420 nan 0.000 0.220 310 P C 1.628 179.009 177.300 0.134 0.000 1.142 310 P CA 2.009 65.195 63.100 0.144 0.000 0.801 310 P CB 0.218 32.007 31.700 0.149 0.000 0.764 311 A N -1.063 121.849 122.820 0.153 0.000 2.168 311 A HA -0.084 4.235 4.320 -0.002 0.000 0.215 311 A C 1.987 179.597 177.584 0.044 0.000 1.152 311 A CA 1.765 53.870 52.037 0.114 0.000 0.716 311 A CB -1.315 17.746 19.000 0.102 0.000 0.794 311 A HN 0.331 nan 8.150 nan 0.000 0.465 312 T N -3.865 110.716 114.554 0.045 0.000 3.031 312 T HA 0.193 4.542 4.350 -0.002 0.000 0.254 312 T C 1.184 175.889 174.700 0.007 0.000 1.060 312 T CA 0.843 62.921 62.100 -0.036 0.000 1.135 312 T CB -0.071 68.760 68.868 -0.062 0.000 0.896 312 T HN 0.235 nan 8.240 nan 0.000 0.472 313 S N -0.627 115.101 115.700 0.047 0.000 2.713 313 S HA 0.671 5.141 4.470 -0.002 0.000 0.296 313 S C 0.484 175.117 174.600 0.055 0.000 1.114 313 S CA 0.298 58.528 58.200 0.050 0.000 0.997 313 S CB 0.737 63.973 63.200 0.059 0.000 1.249 313 S HN 1.333 nan 8.310 nan 0.000 0.534 314 G N -0.323 108.504 108.800 0.045 0.000 2.829 314 G HA2 -0.026 3.933 3.960 -0.002 0.000 0.628 314 G HA3 -0.026 3.933 3.960 -0.002 0.000 0.628 314 G C 0.794 175.708 174.900 0.024 0.000 1.412 314 G CA -0.004 45.119 45.100 0.038 0.000 0.864 314 G HN 1.414 nan 8.290 nan 0.000 0.544 315 G N -0.817 107.984 108.800 0.002 0.000 2.476 315 G HA2 0.320 4.279 3.960 -0.002 0.000 0.218 315 G HA3 0.320 4.279 3.960 -0.002 0.000 0.218 315 G C 2.074 176.953 174.900 -0.036 0.000 1.164 315 G CA 2.517 47.585 45.100 -0.053 0.000 0.768 315 G HN 2.783 nan 8.290 nan 0.000 0.560 316 G N -1.153 107.676 108.800 0.048 0.000 2.316 316 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.203 316 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.203 316 G C 1.217 176.259 174.900 0.236 0.000 0.999 316 G CA 0.452 45.617 45.100 0.108 0.000 0.649 316 G HN 0.371 nan 8.290 nan 0.000 0.489 317 F N 2.382 122.373 119.950 0.068 0.000 2.027 317 F HA -0.226 4.301 4.527 -0.001 0.000 0.297 317 F C 2.815 178.662 175.800 0.078 0.000 1.129 317 F CA 1.991 60.033 58.000 0.070 0.000 1.195 317 F CB -0.344 38.684 39.000 0.046 0.000 0.960 317 F HN 0.486 nan 8.300 nan 0.000 0.485 318 N N 1.447 120.316 118.700 0.283 0.000 2.586 318 N HA -0.207 4.532 4.740 -0.002 0.000 0.191 318 N C 1.264 176.879 175.510 0.174 0.000 1.085 318 N CA 1.087 54.242 53.050 0.174 0.000 0.921 318 N CB -0.394 38.179 38.487 0.144 0.000 0.954 318 N HN 0.460 nan 8.380 nan 0.000 0.448 319 L N -3.320 118.031 121.223 0.214 0.000 2.664 319 L HA 0.432 4.771 4.340 -0.002 0.000 0.233 319 L C 1.618 178.653 176.870 0.274 0.000 1.113 319 L CA 0.061 55.062 54.840 0.270 0.000 0.896 319 L CB -0.061 42.168 42.059 0.283 0.000 1.163 319 L HN -0.004 nan 8.230 nan 0.000 0.497 320 I N 0.831 121.527 120.570 0.209 0.000 2.202 320 I HA -0.084 4.085 4.170 -0.002 0.000 0.242 320 I C -0.231 175.966 176.117 0.134 0.000 1.091 320 I CA 1.151 62.556 61.300 0.175 0.000 1.368 320 I CB -1.469 36.621 38.000 0.150 0.000 1.058 320 I HN 0.254 nan 8.210 nan 0.000 0.410 321 P HA -0.168 nan 4.420 nan 0.000 0.215 321 P C 1.882 179.213 177.300 0.050 0.000 1.157 321 P CA 1.659 64.790 63.100 0.052 0.000 0.868 321 P CB -0.001 31.717 31.700 0.030 0.000 0.788 322 I N -1.052 119.553 120.570 0.058 0.000 2.315 322 I HA -0.221 3.948 4.170 -0.002 0.000 0.248 322 I C 2.311 178.425 176.117 -0.006 0.000 1.117 322 I CA 1.375 62.650 61.300 -0.041 0.000 1.404 322 I CB -0.794 37.138 38.000 -0.113 0.000 1.071 322 I HN -0.082 nan 8.210 nan 0.000 0.419 323 A N 0.751 123.725 122.820 0.258 0.000 1.873 323 A HA -0.179 4.140 4.320 -0.002 0.000 0.215 323 A C 2.359 180.060 177.584 0.196 0.000 1.186 323 A CA 2.329 54.599 52.037 0.389 0.000 0.616 323 A CB -1.152 18.075 19.000 0.378 0.000 0.823 323 A HN 0.382 nan 8.150 nan 0.000 0.442 324 T N 0.502 115.140 114.554 0.139 0.000 2.897 324 T HA 0.005 4.354 4.350 -0.002 0.000 0.271 324 T C 2.003 176.748 174.700 0.075 0.000 1.084 324 T CA 1.313 63.474 62.100 0.102 0.000 1.123 324 T CB -0.337 68.580 68.868 0.080 0.000 0.865 324 T HN 0.580 nan 8.240 nan 0.000 0.496 325 A N 0.691 123.539 122.820 0.048 0.000 1.929 325 A HA 0.432 4.751 4.320 -0.002 0.000 0.216 325 A C 2.257 179.854 177.584 0.021 0.000 1.176 325 A CA 1.433 53.481 52.037 0.019 0.000 0.628 325 A CB -0.720 18.269 19.000 -0.019 0.000 0.816 325 A HN 0.806 nan 8.150 nan 0.000 0.444 326 G N -1.215 107.602 108.800 0.028 0.000 2.192 326 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.193 326 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.193 326 G C 0.559 175.457 174.900 -0.003 0.000 0.999 326 G CA 0.461 45.584 45.100 0.040 0.000 0.659 326 G HN 0.526 nan 8.290 nan 0.000 0.503 327 N N -0.559 118.080 118.700 -0.102 0.000 2.430 327 N HA 0.006 4.745 4.740 -0.002 0.000 0.186 327 N C 0.114 175.485 175.510 -0.232 0.000 1.032 327 N CA 0.550 53.480 53.050 -0.200 0.000 0.893 327 N CB -0.099 38.202 38.487 -0.311 0.000 0.957 327 N HN 0.401 nan 8.380 nan 0.000 0.442 328 F N 0.887 120.858 119.950 0.035 0.000 2.385 328 F HA 0.173 4.699 4.527 -0.002 0.000 0.336 328 F C 1.074 176.890 175.800 0.026 0.000 1.100 328 F CA -1.341 56.682 58.000 0.039 0.000 1.116 328 F CB 0.918 39.952 39.000 0.058 0.000 1.166 328 F HN -0.162 nan 8.300 nan 0.000 0.511 329 S N 2.623 118.461 115.700 0.231 0.000 2.614 329 S HA 0.162 4.631 4.470 -0.002 0.000 0.265 329 S C 1.158 175.826 174.600 0.114 0.000 1.303 329 S CA -0.793 57.481 58.200 0.122 0.000 1.000 329 S CB 0.774 64.023 63.200 0.081 0.000 0.935 329 S HN 0.769 nan 8.310 nan 0.000 0.551 330 M N 2.435 122.072 119.600 0.061 0.000 2.143 330 M HA -0.009 4.470 4.480 -0.002 0.000 0.258 330 M C 1.694 178.021 176.300 0.045 0.000 1.071 330 M CA 2.219 57.541 55.300 0.036 0.000 1.088 330 M CB -1.559 31.043 32.600 0.003 0.000 1.360 330 M HN 0.894 nan 8.290 nan 0.000 0.404 331 G N -0.324 108.507 108.800 0.052 0.000 2.505 331 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.214 331 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.214 331 G C 1.421 176.380 174.900 0.098 0.000 1.237 331 G CA 0.973 46.111 45.100 0.063 0.000 0.802 331 G HN 0.511 nan 8.290 nan 0.000 0.549 332 M N 0.461 120.118 119.600 0.096 0.000 2.201 332 M HA -0.136 4.343 4.480 -0.002 0.000 0.251 332 M C 2.215 178.571 176.300 0.093 0.000 1.090 332 M CA 1.253 56.625 55.300 0.121 0.000 1.063 332 M CB -0.523 32.187 32.600 0.183 0.000 1.360 332 M HN 0.251 nan 8.290 nan 0.000 0.401 333 L N -1.961 119.291 121.223 0.049 0.000 1.961 333 L HA -0.222 4.117 4.340 -0.002 0.000 0.209 333 L C 2.245 179.142 176.870 0.046 0.000 1.075 333 L CA 1.421 56.242 54.840 -0.033 0.000 0.749 333 L CB -0.946 41.110 42.059 -0.005 0.000 0.890 333 L HN 0.112 nan 8.230 nan 0.000 0.433 334 V N 0.117 120.078 119.914 0.079 0.000 2.311 334 V HA -0.401 3.718 4.120 -0.002 0.000 0.256 334 V C 2.189 178.406 176.094 0.205 0.000 1.077 334 V CA 2.543 64.928 62.300 0.141 0.000 1.067 334 V CB -0.743 31.149 31.823 0.116 0.000 0.659 334 V HN 0.431 nan 8.190 nan 0.000 0.451 335 F N 0.643 120.619 119.950 0.042 0.000 2.031 335 F HA -0.201 4.325 4.527 -0.002 0.000 0.295 335 F C 2.189 178.007 175.800 0.030 0.000 1.133 335 F CA 2.172 60.192 58.000 0.033 0.000 1.188 335 F CB -0.346 38.661 39.000 0.012 0.000 0.974 335 F HN 0.068 nan 8.300 nan 0.000 0.473 336 I N -0.234 120.334 120.570 -0.004 0.000 2.502 336 I HA -0.302 3.868 4.170 -0.002 0.000 0.258 336 I C 2.145 178.224 176.117 -0.063 0.000 1.172 336 I CA 0.968 62.170 61.300 -0.163 0.000 1.430 336 I CB -0.706 37.181 38.000 -0.189 0.000 1.086 336 I HN 0.284 nan 8.210 nan 0.000 0.440 337 F N 1.410 121.265 119.950 -0.158 0.000 2.016 337 F HA -0.132 4.394 4.527 -0.001 0.000 0.290 337 F C 2.378 178.123 175.800 -0.092 0.000 1.166 337 F CA 1.484 59.413 58.000 -0.118 0.000 1.156 337 F CB -0.930 38.008 39.000 -0.103 0.000 0.995 337 F HN -0.261 nan 8.300 nan 0.000 0.477 338 V N 1.332 121.133 119.914 -0.188 0.000 2.233 338 V HA -0.422 3.697 4.120 -0.002 0.000 0.252 338 V C 2.774 178.734 176.094 -0.224 0.000 1.063 338 V CA 2.549 64.689 62.300 -0.266 0.000 1.032 338 V CB -1.829 29.940 31.823 -0.091 0.000 0.645 338 V HN 0.607 nan 8.190 nan 0.000 0.446 339 A N -0.210 122.431 122.820 -0.300 0.000 1.896 339 A HA -0.339 3.981 4.320 -0.002 0.000 0.220 339 A C 2.320 179.800 177.584 -0.172 0.000 1.206 339 A CA 2.641 54.489 52.037 -0.315 0.000 0.647 339 A CB -0.644 17.987 19.000 -0.616 0.000 0.828 339 A HN 0.593 nan 8.150 nan 0.000 0.455 340 R N -1.001 119.408 120.500 -0.153 0.000 2.092 340 R HA -0.034 4.305 4.340 -0.002 0.000 0.231 340 R C 2.009 178.306 176.300 -0.005 0.000 1.119 340 R CA 1.230 57.298 56.100 -0.052 0.000 0.970 340 R CB -0.625 29.665 30.300 -0.016 0.000 0.864 340 R HN 0.414 nan 8.270 nan 0.000 0.440 341 V N 1.509 121.366 119.914 -0.094 0.000 2.380 341 V HA -0.269 3.850 4.120 -0.002 0.000 0.251 341 V C 2.165 178.359 176.094 0.167 0.000 1.063 341 V CA 1.752 64.074 62.300 0.038 0.000 1.055 341 V CB -0.396 31.347 31.823 -0.133 0.000 0.657 341 V HN 0.261 nan 8.190 nan 0.000 0.455 342 I N 0.371 120.976 120.570 0.058 0.000 2.315 342 I HA -0.150 4.019 4.170 -0.002 0.000 0.233 342 I C 2.744 178.905 176.117 0.073 0.000 1.067 342 I CA 1.604 62.939 61.300 0.059 0.000 1.376 342 I CB -0.861 37.140 38.000 0.002 0.000 1.143 342 I HN 0.413 nan 8.210 nan 0.000 0.421 343 T N -1.818 112.760 114.554 0.041 0.000 2.882 343 T HA -0.210 4.139 4.350 -0.002 0.000 0.268 343 T C 1.563 176.323 174.700 0.100 0.000 1.104 343 T CA 1.985 64.119 62.100 0.056 0.000 1.118 343 T CB -0.910 67.973 68.868 0.026 0.000 0.831 343 T HN 0.287 nan 8.240 nan 0.000 0.529 344 T N 1.616 116.252 114.554 0.136 0.000 2.781 344 T HA 0.270 4.619 4.350 -0.002 0.000 0.252 344 T C 1.891 176.740 174.700 0.250 0.000 1.039 344 T CA 0.813 63.033 62.100 0.200 0.000 1.147 344 T CB -0.346 68.677 68.868 0.259 0.000 0.865 344 T HN 0.280 nan 8.240 nan 0.000 0.423 345 L N 0.840 122.197 121.223 0.224 0.000 1.956 345 L HA -0.109 4.230 4.340 -0.002 0.000 0.216 345 L C 2.485 179.469 176.870 0.191 0.000 1.073 345 L CA 1.076 56.030 54.840 0.190 0.000 0.762 345 L CB -0.762 41.358 42.059 0.102 0.000 0.889 345 L HN 0.195 nan 8.230 nan 0.000 0.433 346 L N -0.754 120.550 121.223 0.135 0.000 2.151 346 L HA -0.315 4.024 4.340 -0.002 0.000 0.215 346 L C 2.351 179.310 176.870 0.148 0.000 1.084 346 L CA 1.815 56.724 54.840 0.116 0.000 0.764 346 L CB -0.593 41.515 42.059 0.082 0.000 0.891 346 L HN 0.390 nan 8.230 nan 0.000 0.435 347 C N -2.335 117.068 119.300 0.172 0.000 2.518 347 C HA 0.057 4.517 4.460 -0.002 0.000 0.283 347 C C 2.451 177.561 174.990 0.200 0.000 1.351 347 C CA 0.070 59.195 59.018 0.179 0.000 1.745 347 C CB -0.744 27.088 27.740 0.154 0.000 2.107 347 C HN 0.680 nan 8.230 nan 0.000 0.502 348 F N 0.859 120.876 119.950 0.112 0.000 2.219 348 F HA 0.071 4.597 4.527 -0.001 0.000 0.294 348 F C 2.398 178.272 175.800 0.124 0.000 1.086 348 F CA 1.666 59.731 58.000 0.109 0.000 1.330 348 F CB -0.426 38.640 39.000 0.111 0.000 1.047 348 F HN -0.011 nan 8.300 nan 0.000 0.495 349 S N -0.221 115.573 115.700 0.157 0.000 2.419 349 S HA -0.179 4.290 4.470 -0.002 0.000 0.233 349 S C 1.985 176.627 174.600 0.069 0.000 1.016 349 S CA 1.183 59.427 58.200 0.073 0.000 0.974 349 S CB -0.717 62.568 63.200 0.142 0.000 0.786 349 S HN 0.546 nan 8.310 nan 0.000 0.492 350 S N 0.999 116.784 115.700 0.142 0.000 2.641 350 S HA 0.123 4.592 4.470 -0.002 0.000 0.239 350 S C 1.499 176.346 174.600 0.412 0.000 0.972 350 S CA 0.866 59.256 58.200 0.316 0.000 0.954 350 S CB -0.969 62.442 63.200 0.352 0.000 0.767 350 S HN 0.733 nan 8.310 nan 0.000 0.539 351 G N 0.398 109.268 108.800 0.118 0.000 2.200 351 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.268 351 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.268 351 G C 0.402 175.213 174.900 -0.148 0.000 0.986 351 G CA 0.352 45.470 45.100 0.030 0.000 0.677 351 G HN 1.424 nan 8.290 nan 0.000 0.532 352 A N 0.683 123.394 122.820 -0.181 0.000 2.448 352 A HA 0.586 4.905 4.320 -0.002 0.000 0.239 352 A C -1.215 176.147 177.584 -0.371 0.000 1.080 352 A CA -0.275 51.410 52.037 -0.586 0.000 0.779 352 A CB 0.346 18.991 19.000 -0.591 0.000 1.026 352 A HN 0.320 nan 8.150 nan 0.000 0.499 353 P HA 0.469 nan 4.420 nan 0.000 0.287 353 P C -0.010 177.248 177.300 -0.069 0.000 1.307 353 P CA 0.533 63.527 63.100 -0.176 0.000 0.777 353 P CB 0.806 32.408 31.700 -0.164 0.000 0.883 354 G N 1.875 110.687 108.800 0.021 0.000 2.325 354 G HA2 0.487 4.446 3.960 -0.002 0.000 0.297 354 G HA3 0.487 4.446 3.960 -0.002 0.000 0.297 354 G C -1.327 173.692 174.900 0.198 0.000 1.448 354 G CA -0.445 44.715 45.100 0.101 0.000 0.838 354 G HN 0.526 nan 8.290 nan 0.000 0.579 355 G N -1.027 107.890 108.800 0.195 0.000 2.388 355 G HA2 0.562 4.521 3.960 -0.002 0.000 0.330 355 G HA3 0.562 4.521 3.960 -0.002 0.000 0.330 355 G C 0.566 175.589 174.900 0.205 0.000 1.142 355 G CA -0.504 44.741 45.100 0.242 0.000 0.908 355 G HN 0.987 nan 8.290 nan 0.000 0.473 356 I N 1.962 122.596 120.570 0.107 0.000 3.793 356 I HA 0.210 4.379 4.170 -0.002 0.000 0.315 356 I C 1.404 177.486 176.117 -0.058 0.000 1.275 356 I CA -0.310 60.903 61.300 -0.145 0.000 1.214 356 I CB -0.079 37.417 38.000 -0.840 0.000 1.018 356 I HN 0.600 nan 8.210 nan 0.000 0.439 357 F N 1.514 121.434 119.950 -0.050 0.000 2.051 357 F HA -0.215 4.311 4.527 -0.002 0.000 0.296 357 F C 2.506 178.309 175.800 0.006 0.000 1.122 357 F CA 2.163 60.152 58.000 -0.018 0.000 1.201 357 F CB -0.259 38.763 39.000 0.035 0.000 0.978 357 F HN 0.148 nan 8.300 nan 0.000 0.472 358 A N 1.174 124.152 122.820 0.263 0.000 1.829 358 A HA -0.176 4.143 4.320 -0.002 0.000 0.216 358 A C -0.391 177.179 177.584 -0.024 0.000 1.207 358 A CA 1.966 54.027 52.037 0.039 0.000 0.622 358 A CB -2.442 16.391 19.000 -0.279 0.000 0.846 358 A HN 0.343 nan 8.150 nan 0.000 0.447 359 P HA -0.196 nan 4.420 nan 0.000 0.223 359 P C 1.362 178.657 177.300 -0.009 0.000 1.140 359 P CA 1.418 64.513 63.100 -0.008 0.000 0.783 359 P CB -0.263 31.450 31.700 0.021 0.000 0.759 360 M N -1.522 118.050 119.600 -0.047 0.000 2.349 360 M HA -0.022 4.457 4.480 -0.002 0.000 0.266 360 M C 2.219 178.500 176.300 -0.032 0.000 1.076 360 M CA 1.071 56.305 55.300 -0.109 0.000 1.126 360 M CB -0.423 32.055 32.600 -0.204 0.000 1.392 360 M HN -0.043 nan 8.290 nan 0.000 0.440 361 L N -0.192 121.050 121.223 0.032 0.000 1.976 361 L HA -0.165 4.174 4.340 -0.002 0.000 0.209 361 L C 2.815 179.757 176.870 0.121 0.000 1.071 361 L CA 1.433 56.335 54.840 0.104 0.000 0.746 361 L CB -1.018 41.194 42.059 0.253 0.000 0.890 361 L HN 0.263 nan 8.230 nan 0.000 0.432 362 A N 0.019 122.923 122.820 0.140 0.000 1.948 362 A HA -0.202 4.117 4.320 -0.002 0.000 0.220 362 A C 2.263 179.910 177.584 0.104 0.000 1.177 362 A CA 1.535 53.654 52.037 0.138 0.000 0.636 362 A CB -0.726 18.351 19.000 0.129 0.000 0.815 362 A HN 0.362 nan 8.150 nan 0.000 0.449 363 L N -1.061 120.211 121.223 0.082 0.000 2.046 363 L HA -0.157 4.182 4.340 -0.002 0.000 0.208 363 L C 2.819 179.753 176.870 0.106 0.000 1.077 363 L CA 1.673 56.580 54.840 0.111 0.000 0.747 363 L CB -1.340 40.748 42.059 0.049 0.000 0.896 363 L HN 0.534 nan 8.230 nan 0.000 0.432 364 G N -0.593 108.285 108.800 0.129 0.000 2.414 364 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.215 364 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.215 364 G C 1.551 176.539 174.900 0.146 0.000 1.188 364 G CA 1.187 46.419 45.100 0.219 0.000 0.783 364 G HN 0.273 nan 8.290 nan 0.000 0.537 365 T N 1.130 115.743 114.554 0.098 0.000 2.597 365 T HA -0.202 4.147 4.350 -0.002 0.000 0.267 365 T C 2.487 177.237 174.700 0.083 0.000 1.053 365 T CA 1.748 63.905 62.100 0.095 0.000 1.165 365 T CB -0.532 68.405 68.868 0.115 0.000 0.863 365 T HN 0.062 nan 8.240 nan 0.000 0.427 366 V N 1.880 121.827 119.914 0.055 0.000 2.214 366 V HA -0.153 3.966 4.120 -0.002 0.000 0.244 366 V C 2.435 178.457 176.094 -0.121 0.000 1.045 366 V CA 1.859 64.150 62.300 -0.015 0.000 0.993 366 V CB -1.062 30.744 31.823 -0.028 0.000 0.633 366 V HN 0.359 nan 8.190 nan 0.000 0.449 367 L N 1.495 122.540 121.223 -0.298 0.000 2.103 367 L HA -0.176 4.163 4.340 -0.002 0.000 0.215 367 L C 2.155 178.951 176.870 -0.124 0.000 1.080 367 L CA 2.604 57.149 54.840 -0.491 0.000 0.764 367 L CB -1.405 40.175 42.059 -0.798 0.000 0.890 367 L HN 0.323 nan 8.230 nan 0.000 0.435 368 G N -2.111 106.737 108.800 0.080 0.000 2.414 368 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.215 368 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.215 368 G C 1.430 176.419 174.900 0.149 0.000 1.188 368 G CA 1.042 46.242 45.100 0.167 0.000 0.783 368 G HN 0.422 nan 8.290 nan 0.000 0.537 369 T N 1.753 116.370 114.554 0.106 0.000 2.721 369 T HA -0.141 4.208 4.350 -0.002 0.000 0.268 369 T C 2.711 177.440 174.700 0.048 0.000 1.038 369 T CA 1.757 63.916 62.100 0.099 0.000 1.145 369 T CB -0.378 68.553 68.868 0.106 0.000 0.858 369 T HN 0.411 nan 8.240 nan 0.000 0.459 370 A N 0.945 123.767 122.820 0.004 0.000 1.845 370 A HA -0.016 4.303 4.320 -0.002 0.000 0.215 370 A C 2.006 179.560 177.584 -0.051 0.000 1.195 370 A CA 1.430 53.440 52.037 -0.045 0.000 0.616 370 A CB -1.140 17.792 19.000 -0.112 0.000 0.832 370 A HN 0.495 nan 8.150 nan 0.000 0.443 371 F N 1.224 121.080 119.950 -0.157 0.000 2.192 371 F HA -0.139 4.387 4.527 -0.002 0.000 0.301 371 F C 2.230 177.820 175.800 -0.350 0.000 1.079 371 F CA 1.351 59.230 58.000 -0.203 0.000 1.303 371 F CB -0.402 38.513 39.000 -0.141 0.000 1.024 371 F HN 0.237 nan 8.300 nan 0.000 0.494 372 G N 0.201 108.949 108.800 -0.087 0.000 2.524 372 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.215 372 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.215 372 G C 1.671 176.411 174.900 -0.267 0.000 1.239 372 G CA 0.911 45.835 45.100 -0.294 0.000 0.798 372 G HN 0.361 nan 8.290 nan 0.000 0.557 373 M N -0.092 119.427 119.600 -0.135 0.000 2.116 373 M HA -0.184 4.295 4.480 -0.002 0.000 0.255 373 M C 2.637 178.832 176.300 -0.175 0.000 1.075 373 M CA 1.318 56.549 55.300 -0.115 0.000 1.087 373 M CB -0.270 32.292 32.600 -0.064 0.000 1.340 373 M HN 0.165 nan 8.290 nan 0.000 0.402 374 V N -0.410 119.351 119.914 -0.256 0.000 2.323 374 V HA -0.226 3.893 4.120 -0.002 0.000 0.244 374 V C 2.503 178.409 176.094 -0.312 0.000 1.041 374 V CA 1.852 63.975 62.300 -0.294 0.000 1.025 374 V CB -1.276 30.317 31.823 -0.384 0.000 0.656 374 V HN 0.561 nan 8.190 nan 0.000 0.451 375 A N 0.267 122.848 122.820 -0.400 0.000 1.873 375 A HA -0.203 4.116 4.320 -0.002 0.000 0.218 375 A C 2.402 179.965 177.584 -0.036 0.000 1.193 375 A CA 2.391 54.300 52.037 -0.213 0.000 0.629 375 A CB -0.921 17.758 19.000 -0.535 0.000 0.826 375 A HN 0.324 nan 8.150 nan 0.000 0.447 376 V N 1.305 121.147 119.914 -0.119 0.000 2.233 376 V HA -0.392 3.728 4.120 -0.002 0.000 0.252 376 V C 2.585 178.648 176.094 -0.051 0.000 1.063 376 V CA 2.729 65.003 62.300 -0.044 0.000 1.032 376 V CB -1.225 30.566 31.823 -0.054 0.000 0.645 376 V HN 0.934 nan 8.190 nan 0.000 0.446 377 E N -0.118 120.015 120.200 -0.111 0.000 2.358 377 E HA -0.087 4.262 4.350 -0.002 0.000 0.195 377 E C 2.087 178.554 176.600 -0.223 0.000 1.010 377 E CA 0.785 57.102 56.400 -0.137 0.000 0.856 377 E CB -0.278 29.345 29.700 -0.128 0.000 0.795 377 E HN 0.568 nan 8.360 nan 0.000 0.504 378 L N -0.001 121.015 121.223 -0.345 0.000 2.217 378 L HA 0.031 4.370 4.340 -0.002 0.000 0.211 378 L C -0.025 176.277 176.870 -0.946 0.000 1.107 378 L CA 0.656 55.063 54.840 -0.722 0.000 0.783 378 L CB 0.168 41.588 42.059 -1.064 0.000 0.919 378 L HN 0.122 nan 8.230 nan 0.000 0.442 379 F N -1.719 118.124 119.950 -0.179 0.000 2.941 379 F HA 0.329 4.855 4.527 -0.001 0.000 0.359 379 F C -2.066 173.604 175.800 -0.218 0.000 1.231 379 F CA -2.087 55.755 58.000 -0.264 0.000 1.089 379 F CB 0.459 39.159 39.000 -0.500 0.000 1.407 379 F HN -0.255 nan 8.300 nan 0.000 0.538 380 P HA -0.059 nan 4.420 nan 0.000 0.251 380 P C 0.825 178.024 177.300 -0.169 0.000 1.223 380 P CA 0.543 63.585 63.100 -0.097 0.000 0.796 380 P CB 0.488 32.117 31.700 -0.117 0.000 1.068 381 Q N -0.239 119.506 119.800 -0.092 0.000 2.230 381 Q HA -0.151 4.188 4.340 -0.002 0.000 0.202 381 Q C 1.660 177.799 176.000 0.232 0.000 0.963 381 Q CA 1.294 57.094 55.803 -0.005 0.000 0.866 381 Q CB -1.431 27.321 28.738 0.022 0.000 0.931 381 Q HN 0.389 nan 8.270 nan 0.000 0.452 382 Y N 0.678 121.062 120.300 0.140 0.000 2.571 382 Y HA -0.084 4.465 4.550 -0.001 0.000 0.294 382 Y C -0.140 175.907 175.900 0.246 0.000 1.141 382 Y CA 0.067 58.270 58.100 0.171 0.000 1.308 382 Y CB -0.244 38.263 38.460 0.078 0.000 1.002 382 Y HN 0.300 nan 8.280 nan 0.000 0.551 383 H N -0.142 119.063 119.070 0.225 0.000 2.591 383 H HA -0.154 4.401 4.556 -0.001 0.000 0.325 383 H C -0.552 174.869 175.328 0.156 0.000 1.096 383 H CA 0.075 56.212 56.048 0.149 0.000 1.108 383 H CB -1.911 27.920 29.762 0.114 0.000 1.590 383 H HN 0.262 nan 8.280 nan 0.000 0.399 384 L N 0.189 121.552 121.223 0.233 0.000 2.439 384 L HA 0.391 4.730 4.340 -0.002 0.000 0.259 384 L C 0.930 177.914 176.870 0.189 0.000 1.129 384 L CA -0.355 54.630 54.840 0.242 0.000 0.803 384 L CB 1.119 43.329 42.059 0.251 0.000 1.161 384 L HN 0.446 nan 8.230 nan 0.000 0.462 385 E N 0.138 120.468 120.200 0.217 0.000 2.220 385 E HA 0.360 4.709 4.350 -0.002 0.000 0.256 385 E C 0.359 177.088 176.600 0.214 0.000 0.881 385 E CA -0.295 56.204 56.400 0.165 0.000 0.766 385 E CB 1.765 31.544 29.700 0.131 0.000 1.187 385 E HN 0.698 nan 8.360 nan 0.000 0.419 386 A N 4.268 127.179 122.820 0.152 0.000 1.894 386 A HA -0.309 4.010 4.320 -0.002 0.000 0.220 386 A C 1.995 179.718 177.584 0.231 0.000 1.237 386 A CA 2.519 54.646 52.037 0.151 0.000 0.660 386 A CB -1.639 17.409 19.000 0.079 0.000 0.835 386 A HN 0.887 nan 8.150 nan 0.000 0.461 387 G N -0.690 108.207 108.800 0.162 0.000 2.679 387 G HA2 -0.449 3.510 3.960 -0.002 0.000 0.222 387 G HA3 -0.449 3.510 3.960 -0.002 0.000 0.222 387 G C 1.821 176.822 174.900 0.168 0.000 1.164 387 G CA 3.373 48.559 45.100 0.144 0.000 0.769 387 G HN 1.228 nan 8.290 nan 0.000 0.610 388 T N -1.395 113.263 114.554 0.174 0.000 2.760 388 T HA -0.184 4.165 4.350 -0.002 0.000 0.269 388 T C 2.035 176.789 174.700 0.089 0.000 1.047 388 T CA 1.793 63.950 62.100 0.095 0.000 1.139 388 T CB -0.455 68.439 68.868 0.044 0.000 0.855 388 T HN 0.214 nan 8.240 nan 0.000 0.471 389 F N 1.407 121.422 119.950 0.109 0.000 2.664 389 F HA 0.568 5.094 4.527 -0.001 0.000 0.296 389 F C 2.713 178.537 175.800 0.040 0.000 1.125 389 F CA -0.172 57.865 58.000 0.062 0.000 1.444 389 F CB -0.605 38.374 39.000 -0.034 0.000 1.114 389 F HN 0.265 nan 8.300 nan 0.000 0.576 390 A N 0.027 122.981 122.820 0.224 0.000 2.015 390 A HA -0.050 4.269 4.320 -0.002 0.000 0.219 390 A C 2.180 179.808 177.584 0.072 0.000 1.163 390 A CA 1.253 53.373 52.037 0.137 0.000 0.646 390 A CB -0.716 18.361 19.000 0.129 0.000 0.806 390 A HN 0.393 nan 8.150 nan 0.000 0.448 391 I N -1.064 119.537 120.570 0.052 0.000 2.703 391 I HA -0.070 4.099 4.170 -0.002 0.000 0.259 391 I C 2.813 178.898 176.117 -0.053 0.000 1.151 391 I CA 0.721 62.019 61.300 -0.004 0.000 1.470 391 I CB -0.208 37.784 38.000 -0.014 0.000 1.112 391 I HN 0.341 nan 8.210 nan 0.000 0.437 392 A N 0.898 123.699 122.820 -0.032 0.000 1.902 392 A HA -0.123 4.196 4.320 -0.002 0.000 0.217 392 A C 2.220 179.700 177.584 -0.173 0.000 1.181 392 A CA 2.006 53.999 52.037 -0.074 0.000 0.623 392 A CB -1.130 17.935 19.000 0.109 0.000 0.818 392 A HN 0.438 nan 8.150 nan 0.000 0.443 393 G N -1.525 107.168 108.800 -0.179 0.000 3.042 393 G HA2 0.166 4.126 3.960 -0.002 0.000 0.212 393 G HA3 0.166 4.126 3.960 -0.002 0.000 0.212 393 G C 1.264 175.955 174.900 -0.348 0.000 1.166 393 G CA 0.555 45.383 45.100 -0.454 0.000 0.767 393 G HN 0.468 nan 8.290 nan 0.000 0.546 394 M N 0.800 120.309 119.600 -0.153 0.000 2.279 394 M HA 0.071 4.550 4.480 -0.002 0.000 0.264 394 M C 1.797 178.031 176.300 -0.111 0.000 1.062 394 M CA 1.624 56.883 55.300 -0.069 0.000 1.099 394 M CB 0.159 32.749 32.600 -0.016 0.000 1.394 394 M HN 0.147 nan 8.290 nan 0.000 0.426 395 G N -1.219 107.470 108.800 -0.186 0.000 3.899 395 G HA2 0.495 4.454 3.960 -0.002 0.000 0.293 395 G HA3 0.495 4.454 3.960 -0.002 0.000 0.293 395 G C 0.729 175.468 174.900 -0.267 0.000 1.054 395 G CA 0.327 45.317 45.100 -0.183 0.000 0.846 395 G HN 0.499 nan 8.290 nan 0.000 0.525 396 A N 0.035 122.583 122.820 -0.454 0.000 1.997 396 A HA 0.312 4.631 4.320 -0.002 0.000 0.212 396 A C 1.896 179.323 177.584 -0.263 0.000 1.178 396 A CA 0.340 52.002 52.037 -0.626 0.000 0.698 396 A CB -0.137 17.921 19.000 -1.569 0.000 0.842 396 A HN 0.353 nan 8.150 nan 0.000 0.458 397 L N -0.232 120.968 121.223 -0.039 0.000 2.395 397 L HA 0.125 4.465 4.340 -0.002 0.000 0.218 397 L C 1.684 178.522 176.870 -0.053 0.000 1.130 397 L CA 0.910 55.851 54.840 0.168 0.000 0.826 397 L CB -0.255 41.894 42.059 0.151 0.000 0.941 397 L HN 0.401 nan 8.230 nan 0.000 0.451 398 L N -0.509 120.627 121.223 -0.145 0.000 2.558 398 L HA 0.044 4.383 4.340 -0.002 0.000 0.225 398 L C 1.472 178.248 176.870 -0.157 0.000 1.128 398 L CA 0.417 55.123 54.840 -0.222 0.000 0.868 398 L CB -0.015 41.885 42.059 -0.264 0.000 1.006 398 L HN 0.214 nan 8.230 nan 0.000 0.454 399 A N -1.640 121.112 122.820 -0.114 0.000 2.631 399 A HA 0.631 4.950 4.320 -0.002 0.000 0.294 399 A C 1.060 178.615 177.584 -0.048 0.000 1.156 399 A CA 0.586 52.572 52.037 -0.085 0.000 0.963 399 A CB 0.208 19.147 19.000 -0.102 0.000 1.202 399 A HN 0.252 nan 8.150 nan 0.000 0.523 400 A N -1.709 121.097 122.820 -0.023 0.000 1.757 400 A HA 0.331 4.650 4.320 -0.002 0.000 0.205 400 A C 1.889 179.475 177.584 0.003 0.000 1.791 400 A CA 1.230 53.273 52.037 0.011 0.000 1.282 400 A CB -0.378 18.671 19.000 0.082 0.000 1.297 400 A HN 0.233 nan 8.150 nan 0.000 0.422 401 S N -0.405 115.292 115.700 -0.004 0.000 2.362 401 S HA 0.117 4.586 4.470 -0.002 0.000 0.221 401 S C 1.534 176.121 174.600 -0.022 0.000 1.032 401 S CA 1.342 59.543 58.200 0.001 0.000 0.973 401 S CB -0.104 63.103 63.200 0.011 0.000 0.849 401 S HN 0.487 nan 8.310 nan 0.000 0.465 402 I N 1.012 121.542 120.570 -0.067 0.000 3.956 402 I HA 0.226 4.395 4.170 -0.002 0.000 0.333 402 I C -0.381 175.730 176.117 -0.010 0.000 1.302 402 I CA -0.048 61.222 61.300 -0.049 0.000 1.122 402 I CB -0.080 37.831 38.000 -0.149 0.000 1.013 402 I HN 0.097 nan 8.210 nan 0.000 0.405 403 R N 1.431 121.918 120.500 -0.023 0.000 3.013 403 R HA -0.210 4.129 4.340 -0.002 0.000 0.232 403 R C 0.136 176.433 176.300 -0.005 0.000 0.854 403 R CA 0.516 56.606 56.100 -0.017 0.000 0.580 403 R CB -1.812 28.482 30.300 -0.009 0.000 1.030 403 R HN 0.446 nan 8.270 nan 0.000 0.489 404 A N -0.495 122.324 122.820 -0.001 0.000 3.204 404 A HA 0.420 4.739 4.320 -0.002 0.000 0.327 404 A C -1.709 175.875 177.584 0.000 0.000 0.998 404 A CA -1.389 50.665 52.037 0.028 0.000 0.891 404 A CB 0.738 19.805 19.000 0.112 0.000 1.061 404 A HN 0.003 nan 8.150 nan 0.000 0.478 405 P HA -0.253 nan 4.420 nan 0.000 0.216 405 P C 1.675 178.953 177.300 -0.037 0.000 1.167 405 P CA 1.070 64.141 63.100 -0.048 0.000 0.914 405 P CB 0.236 31.906 31.700 -0.051 0.000 0.793 406 L N -1.126 120.085 121.223 -0.020 0.000 2.012 406 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 406 L C 2.249 179.117 176.870 -0.002 0.000 1.073 406 L CA 2.195 57.028 54.840 -0.012 0.000 0.748 406 L CB -1.628 40.429 42.059 -0.004 0.000 0.891 406 L HN -0.010 nan 8.230 nan 0.000 0.431 407 T N -0.976 113.596 114.554 0.031 0.000 2.833 407 T HA -0.090 4.259 4.350 -0.002 0.000 0.269 407 T C 1.577 176.273 174.700 -0.006 0.000 1.054 407 T CA 1.088 63.218 62.100 0.051 0.000 1.135 407 T CB -0.572 68.403 68.868 0.179 0.000 0.869 407 T HN 0.604 nan 8.240 nan 0.000 0.466 408 G N 1.953 110.739 108.800 -0.023 0.000 2.496 408 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.214 408 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.214 408 G C 1.397 176.252 174.900 -0.076 0.000 1.234 408 G CA 0.359 45.419 45.100 -0.066 0.000 0.807 408 G HN 0.328 nan 8.290 nan 0.000 0.543 409 I N 1.631 122.157 120.570 -0.074 0.000 2.121 409 I HA -0.226 3.943 4.170 -0.002 0.000 0.243 409 I C 2.764 178.847 176.117 -0.056 0.000 1.047 409 I CA 1.168 62.424 61.300 -0.072 0.000 1.308 409 I CB -1.154 36.808 38.000 -0.064 0.000 1.015 409 I HN 0.188 nan 8.210 nan 0.000 0.410 410 I N -0.345 120.196 120.570 -0.047 0.000 2.830 410 I HA -0.218 3.951 4.170 -0.002 0.000 0.263 410 I C 2.385 178.462 176.117 -0.067 0.000 1.230 410 I CA 0.469 61.742 61.300 -0.045 0.000 1.480 410 I CB -0.177 37.800 38.000 -0.039 0.000 1.095 410 I HN 0.204 nan 8.210 nan 0.000 0.455 411 L N 0.105 121.272 121.223 -0.092 0.000 2.179 411 L HA -0.065 4.274 4.340 -0.002 0.000 0.208 411 L C 2.232 179.046 176.870 -0.095 0.000 1.096 411 L CA 1.499 56.254 54.840 -0.142 0.000 0.779 411 L CB -0.167 41.751 42.059 -0.236 0.000 0.922 411 L HN -0.086 nan 8.230 nan 0.000 0.443 412 V N -0.246 119.628 119.914 -0.068 0.000 2.229 412 V HA -0.294 3.825 4.120 -0.002 0.000 0.243 412 V C 2.446 178.522 176.094 -0.029 0.000 1.042 412 V CA 1.982 64.257 62.300 -0.041 0.000 1.000 412 V CB -0.657 31.136 31.823 -0.050 0.000 0.637 412 V HN 0.523 nan 8.190 nan 0.000 0.446 413 L N -0.083 121.124 121.223 -0.026 0.000 2.151 413 L HA -0.271 4.068 4.340 -0.002 0.000 0.215 413 L C 2.666 179.531 176.870 -0.009 0.000 1.084 413 L CA 1.855 56.694 54.840 -0.002 0.000 0.764 413 L CB -0.386 41.687 42.059 0.023 0.000 0.891 413 L HN 0.425 nan 8.230 nan 0.000 0.435 414 E N 0.188 120.372 120.200 -0.027 0.000 2.153 414 E HA -0.203 4.146 4.350 -0.002 0.000 0.194 414 E C 1.552 178.143 176.600 -0.014 0.000 0.988 414 E CA 1.779 58.162 56.400 -0.029 0.000 0.811 414 E CB -0.017 29.654 29.700 -0.048 0.000 0.746 414 E HN 0.750 nan 8.360 nan 0.000 0.466 415 M N -2.020 117.573 119.600 -0.011 0.000 2.705 415 M HA 0.270 4.749 4.480 -0.002 0.000 0.387 415 M C 0.687 176.973 176.300 -0.022 0.000 1.204 415 M CA -0.020 55.274 55.300 -0.010 0.000 0.905 415 M CB 0.833 33.436 32.600 0.006 0.000 1.394 415 M HN -0.139 nan 8.290 nan 0.000 0.515 416 T N -5.795 108.750 114.554 -0.014 0.000 3.092 416 T HA 0.122 4.471 4.350 -0.002 0.000 0.273 416 T C 0.482 175.181 174.700 -0.003 0.000 0.898 416 T CA 0.358 62.450 62.100 -0.013 0.000 0.868 416 T CB 0.028 68.888 68.868 -0.013 0.000 1.228 416 T HN 0.321 nan 8.240 nan 0.000 0.555 417 D N 1.797 122.200 120.400 0.005 0.000 2.751 417 D HA -0.155 4.484 4.640 -0.002 0.000 0.233 417 D C -0.369 175.948 176.300 0.029 0.000 1.149 417 D CA 0.561 54.572 54.000 0.019 0.000 0.682 417 D CB -1.854 38.954 40.800 0.013 0.000 1.068 417 D HN 0.723 nan 8.370 nan 0.000 0.429 418 N N 0.264 118.977 118.700 0.022 0.000 2.635 418 N HA 0.000 4.739 4.740 -0.002 0.000 0.307 418 N C 0.680 176.187 175.510 -0.005 0.000 1.433 418 N CA -0.394 52.658 53.050 0.003 0.000 0.973 418 N CB 0.158 38.627 38.487 -0.030 0.000 1.304 418 N HN 0.197 nan 8.380 nan 0.000 0.507 419 Y N 2.060 122.323 120.300 -0.061 0.000 2.723 419 Y HA -0.230 4.319 4.550 -0.002 0.000 0.286 419 Y C 1.533 177.384 175.900 -0.081 0.000 1.159 419 Y CA 1.575 59.634 58.100 -0.069 0.000 1.442 419 Y CB 0.022 38.449 38.460 -0.054 0.000 0.959 419 Y HN 0.328 nan 8.280 nan 0.000 0.581 420 Q N -0.750 118.883 119.800 -0.278 0.000 2.403 420 Q HA 0.159 4.498 4.340 -0.002 0.000 0.203 420 Q C 0.982 176.775 176.000 -0.345 0.000 0.932 420 Q CA 0.875 56.475 55.803 -0.337 0.000 0.945 420 Q CB -0.200 28.433 28.738 -0.175 0.000 1.045 420 Q HN 0.536 nan 8.270 nan 0.000 0.511 421 L N -0.365 120.666 121.223 -0.320 0.000 2.769 421 L HA 0.256 4.595 4.340 -0.002 0.000 0.240 421 L C 1.044 177.701 176.870 -0.355 0.000 1.163 421 L CA -0.230 54.405 54.840 -0.342 0.000 0.962 421 L CB 0.214 42.115 42.059 -0.263 0.000 1.258 421 L HN 0.162 nan 8.230 nan 0.000 0.513 422 I N 0.216 120.559 120.570 -0.379 0.000 2.454 422 I HA -0.242 3.927 4.170 -0.002 0.000 0.254 422 I C 1.983 177.944 176.117 -0.260 0.000 1.156 422 I CA 1.417 62.549 61.300 -0.280 0.000 1.433 422 I CB 0.118 37.944 38.000 -0.292 0.000 1.082 422 I HN 0.240 nan 8.210 nan 0.000 0.432 423 L N 0.689 121.720 121.223 -0.320 0.000 2.127 423 L HA 0.109 4.448 4.340 -0.002 0.000 0.203 423 L C -0.639 176.038 176.870 -0.321 0.000 1.080 423 L CA 1.516 56.197 54.840 -0.265 0.000 0.768 423 L CB -1.415 40.493 42.059 -0.251 0.000 0.924 423 L HN 0.081 nan 8.230 nan 0.000 0.444 424 P HA -0.123 nan 4.420 nan 0.000 0.214 424 P C 1.942 178.970 177.300 -0.454 0.000 1.162 424 P CA 1.688 64.361 63.100 -0.711 0.000 0.879 424 P CB -0.070 30.771 31.700 -1.432 0.000 0.786 425 M N -1.742 117.634 119.600 -0.374 0.000 2.331 425 M HA -0.180 4.299 4.480 -0.002 0.000 0.260 425 M C 1.849 178.039 176.300 -0.184 0.000 1.072 425 M CA 1.678 56.833 55.300 -0.241 0.000 1.065 425 M CB -0.746 31.738 32.600 -0.194 0.000 1.392 425 M HN -0.020 nan 8.290 nan 0.000 0.427 426 I N -0.263 120.204 120.570 -0.173 0.000 2.385 426 I HA -0.173 3.996 4.170 -0.002 0.000 0.244 426 I C 2.042 178.091 176.117 -0.114 0.000 1.089 426 I CA 0.935 62.161 61.300 -0.123 0.000 1.410 426 I CB -0.166 37.773 38.000 -0.102 0.000 1.117 426 I HN 0.175 nan 8.210 nan 0.000 0.429 427 I N 0.489 120.983 120.570 -0.127 0.000 2.850 427 I HA -0.214 3.955 4.170 -0.002 0.000 0.266 427 I C 2.114 178.193 176.117 -0.064 0.000 1.257 427 I CA 1.107 62.356 61.300 -0.084 0.000 1.465 427 I CB -0.503 37.444 38.000 -0.088 0.000 1.091 427 I HN 0.242 nan 8.210 nan 0.000 0.467 428 T N -0.167 114.327 114.554 -0.101 0.000 3.004 428 T HA 0.066 4.415 4.350 -0.002 0.000 0.243 428 T C 1.888 176.508 174.700 -0.134 0.000 1.020 428 T CA 0.952 62.991 62.100 -0.102 0.000 1.145 428 T CB -0.103 68.689 68.868 -0.128 0.000 0.876 428 T HN 0.474 nan 8.240 nan 0.000 0.449 429 G N 0.989 109.701 108.800 -0.147 0.000 2.679 429 G HA2 -0.010 3.949 3.960 -0.002 0.000 0.212 429 G HA3 -0.010 3.949 3.960 -0.002 0.000 0.212 429 G C 1.421 176.262 174.900 -0.098 0.000 1.137 429 G CA 0.429 45.445 45.100 -0.141 0.000 0.787 429 G HN 0.399 nan 8.290 nan 0.000 0.534 430 L N 0.219 121.395 121.223 -0.079 0.000 2.221 430 L HA 0.397 4.736 4.340 -0.002 0.000 0.202 430 L C 2.681 179.519 176.870 -0.054 0.000 1.074 430 L CA 1.695 56.498 54.840 -0.061 0.000 0.795 430 L CB -0.526 41.505 42.059 -0.046 0.000 0.960 430 L HN 0.060 nan 8.230 nan 0.000 0.458 431 G N -0.351 108.427 108.800 -0.037 0.000 2.442 431 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.219 431 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.219 431 G C 1.491 176.383 174.900 -0.015 0.000 1.141 431 G CA 0.876 45.970 45.100 -0.010 0.000 0.763 431 G HN 0.615 nan 8.290 nan 0.000 0.554 432 A N 1.209 124.010 122.820 -0.032 0.000 1.862 432 A HA -0.156 4.163 4.320 -0.002 0.000 0.214 432 A C 2.724 180.292 177.584 -0.026 0.000 1.228 432 A CA 3.632 55.663 52.037 -0.010 0.000 0.665 432 A CB -1.584 17.378 19.000 -0.064 0.000 0.845 432 A HN 0.642 nan 8.150 nan 0.000 0.459 433 T N -1.423 113.096 114.554 -0.058 0.000 2.685 433 T HA -0.216 4.133 4.350 -0.002 0.000 0.268 433 T C 1.746 176.355 174.700 -0.151 0.000 1.034 433 T CA 1.613 63.663 62.100 -0.084 0.000 1.149 433 T CB -0.620 68.196 68.868 -0.086 0.000 0.860 433 T HN 0.160 nan 8.240 nan 0.000 0.449 434 L N 0.185 121.301 121.223 -0.178 0.000 2.081 434 L HA -0.030 4.309 4.340 -0.002 0.000 0.212 434 L C 2.454 179.069 176.870 -0.425 0.000 1.080 434 L CA 1.660 56.294 54.840 -0.344 0.000 0.754 434 L CB -1.099 40.826 42.059 -0.223 0.000 0.893 434 L HN 0.363 nan 8.230 nan 0.000 0.433 435 L N -1.291 119.836 121.223 -0.160 0.000 2.375 435 L HA 0.069 4.409 4.340 -0.002 0.000 0.215 435 L C 2.453 179.301 176.870 -0.037 0.000 1.108 435 L CA 1.083 55.893 54.840 -0.050 0.000 0.830 435 L CB -1.364 40.727 42.059 0.055 0.000 0.959 435 L HN 0.173 nan 8.230 nan 0.000 0.457 436 A N -1.074 121.713 122.820 -0.056 0.000 2.239 436 A HA -0.147 4.172 4.320 -0.002 0.000 0.209 436 A C 2.177 179.728 177.584 -0.055 0.000 1.171 436 A CA 0.922 52.940 52.037 -0.031 0.000 0.768 436 A CB -0.157 18.829 19.000 -0.023 0.000 0.790 436 A HN 0.459 nan 8.150 nan 0.000 0.478 437 Q N -1.328 118.389 119.800 -0.138 0.000 2.389 437 Q HA 0.060 4.399 4.340 -0.002 0.000 0.198 437 Q C 0.745 176.743 176.000 -0.003 0.000 0.967 437 Q CA 0.432 56.149 55.803 -0.143 0.000 0.863 437 Q CB 0.008 28.547 28.738 -0.332 0.000 0.987 437 Q HN 0.548 nan 8.270 nan 0.000 0.557 438 F N 1.704 121.674 119.950 0.033 0.000 2.724 438 F HA 0.001 4.527 4.527 -0.002 0.000 0.297 438 F C 0.991 176.811 175.800 0.033 0.000 1.200 438 F CA 0.970 58.990 58.000 0.033 0.000 1.468 438 F CB -0.457 38.563 39.000 0.035 0.000 1.116 438 F HN 0.033 nan 8.300 nan 0.000 0.599 439 T N -2.401 112.255 114.554 0.169 0.000 3.542 439 T HA 0.582 4.931 4.350 -0.002 0.000 0.276 439 T C 0.804 175.546 174.700 0.069 0.000 1.412 439 T CA -0.182 61.986 62.100 0.112 0.000 1.664 439 T CB 0.207 69.131 68.868 0.094 0.000 0.863 439 T HN 0.452 nan 8.240 nan 0.000 0.661 440 G N 2.106 110.950 108.800 0.073 0.000 2.660 440 G HA2 0.152 4.111 3.960 -0.002 0.000 0.321 440 G HA3 0.152 4.111 3.960 -0.002 0.000 0.321 440 G C 0.826 175.745 174.900 0.032 0.000 1.246 440 G CA 0.682 45.812 45.100 0.050 0.000 1.000 440 G HN 2.428 nan 8.290 nan 0.000 0.550 441 G N -1.207 107.603 108.800 0.016 0.000 2.999 441 G HA2 0.259 4.218 3.960 -0.002 0.000 0.686 441 G HA3 0.259 4.218 3.960 -0.002 0.000 0.686 441 G C -0.329 174.579 174.900 0.013 0.000 1.551 441 G CA 1.317 46.419 45.100 0.004 0.000 1.126 441 G HN 1.502 nan 8.290 nan 0.000 0.603 442 K N 1.502 121.910 120.400 0.013 0.000 2.607 442 K HA 0.407 4.726 4.320 -0.002 0.000 0.287 442 K C -3.001 173.616 176.600 0.029 0.000 0.996 442 K CA -1.868 54.436 56.287 0.027 0.000 0.876 442 K CB 2.235 34.758 32.500 0.038 0.000 1.496 442 K HN 0.256 nan 8.250 nan 0.000 0.415 443 P HA -0.093 nan 4.420 nan 0.000 0.250 443 P C 0.771 178.103 177.300 0.053 0.000 1.198 443 P CA 0.119 63.247 63.100 0.047 0.000 1.118 443 P CB 0.065 31.804 31.700 0.065 0.000 1.208 444 L N 3.174 124.421 121.223 0.039 0.000 2.369 444 L HA -0.270 4.069 4.340 -0.002 0.000 0.220 444 L C 1.541 178.457 176.870 0.077 0.000 1.119 444 L CA 2.438 57.306 54.840 0.047 0.000 0.780 444 L CB -1.162 40.914 42.059 0.028 0.000 0.906 444 L HN 0.251 nan 8.230 nan 0.000 0.442 445 A N -1.584 121.287 122.820 0.085 0.000 1.935 445 A HA -0.070 4.249 4.320 -0.002 0.000 0.214 445 A C 2.377 180.030 177.584 0.116 0.000 1.178 445 A CA 1.309 53.419 52.037 0.121 0.000 0.640 445 A CB -0.376 18.712 19.000 0.147 0.000 0.825 445 A HN 0.502 nan 8.150 nan 0.000 0.447 446 S N -0.204 115.556 115.700 0.100 0.000 2.362 446 S HA 0.121 4.590 4.470 -0.002 0.000 0.221 446 S C 2.361 177.011 174.600 0.083 0.000 1.032 446 S CA 0.840 59.098 58.200 0.098 0.000 0.973 446 S CB -0.423 62.844 63.200 0.112 0.000 0.849 446 S HN 0.754 nan 8.310 nan 0.000 0.465 447 A N 2.201 125.066 122.820 0.075 0.000 1.896 447 A HA -0.197 4.122 4.320 -0.002 0.000 0.220 447 A C 2.028 179.652 177.584 0.066 0.000 1.206 447 A CA 1.732 53.807 52.037 0.062 0.000 0.647 447 A CB -1.057 17.976 19.000 0.056 0.000 0.828 447 A HN 0.481 nan 8.150 nan 0.000 0.455 448 I N -1.104 119.517 120.570 0.086 0.000 2.151 448 I HA -0.281 3.888 4.170 -0.002 0.000 0.243 448 I C 2.513 178.674 176.117 0.075 0.000 1.080 448 I CA 1.754 63.110 61.300 0.093 0.000 1.339 448 I CB -0.437 37.645 38.000 0.137 0.000 1.039 448 I HN 0.461 nan 8.210 nan 0.000 0.409 449 L N 1.272 122.541 121.223 0.077 0.000 1.990 449 L HA -0.230 4.109 4.340 -0.002 0.000 0.213 449 L C 2.634 179.532 176.870 0.046 0.000 1.072 449 L CA 2.314 57.191 54.840 0.062 0.000 0.755 449 L CB -0.862 41.235 42.059 0.064 0.000 0.889 449 L HN 0.225 nan 8.230 nan 0.000 0.432 450 A N -0.251 122.596 122.820 0.044 0.000 1.869 450 A HA -0.278 4.041 4.320 -0.002 0.000 0.218 450 A C 2.373 179.970 177.584 0.023 0.000 1.203 450 A CA 2.238 54.291 52.037 0.027 0.000 0.638 450 A CB -0.702 18.314 19.000 0.025 0.000 0.831 450 A HN 0.516 nan 8.150 nan 0.000 0.450 451 R N -0.996 119.520 120.500 0.028 0.000 2.103 451 R HA -0.129 4.211 4.340 -0.002 0.000 0.234 451 R C 2.183 178.492 176.300 0.017 0.000 1.132 451 R CA 2.036 58.147 56.100 0.019 0.000 0.925 451 R CB -1.649 28.665 30.300 0.023 0.000 0.842 451 R HN 0.566 nan 8.270 nan 0.000 0.430 452 T N 1.679 116.249 114.554 0.026 0.000 2.996 452 T HA -0.097 4.253 4.350 -0.002 0.000 0.271 452 T C 1.598 176.312 174.700 0.023 0.000 1.126 452 T CA 0.756 62.872 62.100 0.026 0.000 1.103 452 T CB -0.072 68.819 68.868 0.039 0.000 0.870 452 T HN 0.020 nan 8.240 nan 0.000 0.528 453 L N -0.159 121.078 121.223 0.022 0.000 2.556 453 L HA 0.509 4.848 4.340 -0.002 0.000 0.226 453 L C 2.157 179.034 176.870 0.012 0.000 1.089 453 L CA 0.413 55.264 54.840 0.019 0.000 0.864 453 L CB -0.204 41.867 42.059 0.020 0.000 1.067 453 L HN 0.143 nan 8.230 nan 0.000 0.477 454 A N -1.291 121.534 122.820 0.009 0.000 2.115 454 A HA -0.000 4.319 4.320 -0.002 0.000 0.211 454 A C 2.178 179.764 177.584 0.003 0.000 1.169 454 A CA 0.571 52.610 52.037 0.004 0.000 0.787 454 A CB -0.181 18.820 19.000 0.001 0.000 0.858 454 A HN 0.291 nan 8.150 nan 0.000 0.474 455 K N -0.054 120.347 120.400 0.003 0.000 2.365 455 K HA -0.052 4.267 4.320 -0.002 0.000 0.197 455 K C 1.961 178.564 176.600 0.005 0.000 1.042 455 K CA 0.964 57.250 56.287 -0.001 0.000 0.987 455 K CB -0.044 32.451 32.500 -0.009 0.000 0.779 455 K HN 0.607 nan 8.250 nan 0.000 0.484 456 Q N 1.697 121.504 119.800 0.010 0.000 1.889 456 Q HA -0.180 4.159 4.340 -0.002 0.000 0.211 456 Q C -0.332 175.675 176.000 0.012 0.000 0.988 456 Q CA 1.685 57.497 55.803 0.015 0.000 0.861 456 Q CB -0.155 28.593 28.738 0.018 0.000 0.922 456 Q HN 0.328 nan 8.270 nan 0.000 0.425 457 E N 0.535 120.742 120.200 0.011 0.000 2.217 457 E HA 0.472 4.821 4.350 -0.002 0.000 0.279 457 E C -0.643 175.960 176.600 0.006 0.000 1.068 457 E CA 0.116 56.522 56.400 0.009 0.000 0.882 457 E CB 1.120 30.825 29.700 0.009 0.000 1.039 457 E HN 0.585 nan 8.360 nan 0.000 0.418 458 A N 0.000 122.824 122.820 0.006 0.000 2.254 458 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 458 A CA 0.000 52.039 52.037 0.004 0.000 0.836 458 A CB 0.000 19.001 19.000 0.001 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486