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 3e2f_1_A DATA FIRST_RESID 42 DATA SEQUENCE NAKRIEGLDS NVWVEFTKLA ADPSVVNLGQ GFPDISPPSY VKEELSKAAF DATA SEQUENCE IDNMNQYTRG FGHPALVKAL SCLYGKIYQR QIDPNEEILV AVGAYGSLFN DATA SEQUENCE SIQGLVDPGD EVIIMVPFYD CYEPMVRMAG AVPVFIPLRS KPTDGMKWTS DATA SEQUENCE SDWTFDPREL ESKFSSKTKA IILNTPHNPL GKVYTRQELQ VIADLCVKHD DATA SEQUENCE TLCISDEVYE WLVYTGHTHV KIATLPGMWE RTITIGSAGX TFSVTGWKLG DATA SEQUENCE WSIGPAHLIK HLQTVQQNSF YTCATPLQAA LAEAFWIDIK RMDDPECYFN DATA SEQUENCE SLPKELEVKR DRMVRLLNSV GLKPIVPDGG YFIIADVSSL GADLSDMNSD DATA SEQUENCE EPYDYKFVKW MTKHKKLTAI PVSAFCDSKS KPHFEKLVRF CFIKKDSTLD DATA SEQUENCE AAEEIFRAWN 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 42 N HA 0.000 nan 4.740 nan 0.000 0.220 42 N C 0.000 175.521 175.510 0.019 0.000 1.280 42 N CA 0.000 53.060 53.050 0.016 0.000 0.885 42 N CB 0.000 38.497 38.487 0.017 0.000 1.341 43 A N 2.043 124.877 122.820 0.022 0.000 2.466 43 A HA 0.165 4.485 4.320 -0.000 0.000 0.238 43 A C 1.383 178.981 177.584 0.025 0.000 1.074 43 A CA -0.094 51.958 52.037 0.024 0.000 0.774 43 A CB 0.289 19.306 19.000 0.028 0.000 1.015 43 A HN 0.742 nan 8.150 nan 0.000 0.498 44 K N 1.247 121.660 120.400 0.022 0.000 2.063 44 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 44 K C 1.942 178.557 176.600 0.025 0.000 1.048 44 K CA 1.903 58.203 56.287 0.020 0.000 0.928 44 K CB -0.254 32.255 32.500 0.016 0.000 0.713 44 K HN 0.873 nan 8.250 nan 0.000 0.442 45 R N 1.647 122.164 120.500 0.029 0.000 2.261 45 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 45 R C 1.787 178.115 176.300 0.046 0.000 1.141 45 R CA 1.695 57.816 56.100 0.035 0.000 1.001 45 R CB -0.779 29.547 30.300 0.043 0.000 0.866 45 R HN 0.432 nan 8.270 nan 0.000 0.468 46 I N -2.443 118.153 120.570 0.043 0.000 4.050 46 I HA 0.349 4.519 4.170 -0.000 0.000 0.327 46 I C -0.425 175.715 176.117 0.037 0.000 1.473 46 I CA -0.910 60.417 61.300 0.046 0.000 1.124 46 I CB 0.448 38.477 38.000 0.049 0.000 1.129 46 I HN -0.159 nan 8.210 nan 0.000 0.428 47 E N 2.339 122.558 120.200 0.032 0.000 2.417 47 E HA 0.378 4.728 4.350 -0.000 0.000 0.261 47 E C 1.343 177.962 176.600 0.032 0.000 1.000 47 E CA 1.336 57.753 56.400 0.028 0.000 0.919 47 E CB 0.429 30.143 29.700 0.023 0.000 0.955 47 E HN 0.546 nan 8.360 nan 0.000 0.455 48 G N 4.010 112.828 108.800 0.030 0.000 2.176 48 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.252 48 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.252 48 G C 0.388 175.313 174.900 0.042 0.000 1.024 48 G CA 0.491 45.611 45.100 0.034 0.000 0.755 48 G HN 0.506 nan 8.290 nan 0.000 0.507 49 L N 0.317 121.566 121.223 0.043 0.000 2.910 49 L HA 0.260 4.600 4.340 -0.000 0.000 0.252 49 L C 1.176 178.070 176.870 0.041 0.000 1.195 49 L CA 0.411 55.282 54.840 0.050 0.000 1.003 49 L CB 0.256 42.350 42.059 0.059 0.000 1.328 49 L HN 0.315 nan 8.230 nan 0.000 0.540 50 D N -0.993 119.426 120.400 0.031 0.000 2.358 50 D HA -0.039 4.601 4.640 -0.000 0.000 0.224 50 D C 0.815 177.126 176.300 0.018 0.000 1.123 50 D CA -0.008 54.005 54.000 0.021 0.000 0.833 50 D CB 0.354 41.163 40.800 0.015 0.000 0.946 50 D HN 0.062 nan 8.370 nan 0.000 0.505 51 S N 0.648 116.363 115.700 0.026 0.000 2.510 51 S HA 0.039 4.509 4.470 -0.000 0.000 0.279 51 S C 0.116 174.732 174.600 0.027 0.000 1.284 51 S CA -0.559 57.655 58.200 0.024 0.000 1.059 51 S CB 0.081 63.303 63.200 0.036 0.000 0.901 51 S HN 0.283 nan 8.310 nan 0.000 0.491 52 N N 4.620 123.326 118.700 0.011 0.000 2.813 52 N HA 0.160 4.900 4.740 -0.000 0.000 0.282 52 N C 0.927 176.409 175.510 -0.047 0.000 1.748 52 N CA -0.285 52.778 53.050 0.021 0.000 0.860 52 N CB 0.765 39.261 38.487 0.016 0.000 1.204 52 N HN 0.626 nan 8.380 nan 0.000 0.490 53 V N -1.149 118.713 119.914 -0.086 0.000 3.026 53 V HA -0.094 4.026 4.120 -0.000 0.000 0.265 53 V C 1.510 177.132 176.094 -0.788 0.000 1.121 53 V CA 0.803 62.888 62.300 -0.358 0.000 1.142 53 V CB -0.931 30.730 31.823 -0.269 0.000 0.730 53 V HN 0.540 nan 8.190 nan 0.000 0.503 54 W N 1.003 122.032 121.300 -0.451 0.000 2.425 54 W HA 0.015 4.675 4.660 -0.001 0.000 0.277 54 W C 2.538 178.916 176.519 -0.235 0.000 1.231 54 W CA 2.062 59.214 57.345 -0.322 0.000 1.248 54 W CB -0.408 28.993 29.460 -0.098 0.000 1.117 54 W HN 0.345 nan 8.180 nan 0.000 0.568 55 V N -2.773 117.110 119.914 -0.052 0.000 2.719 55 V HA -0.142 3.978 4.120 -0.000 0.000 0.252 55 V C 1.663 177.687 176.094 -0.116 0.000 1.065 55 V CA 1.749 64.025 62.300 -0.039 0.000 1.086 55 V CB -0.776 31.030 31.823 -0.028 0.000 0.700 55 V HN 0.155 nan 8.190 nan 0.000 0.467 56 E N 0.618 120.661 120.200 -0.262 0.000 2.038 56 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 56 E C 2.007 178.501 176.600 -0.176 0.000 1.000 56 E CA 1.931 58.175 56.400 -0.258 0.000 0.803 56 E CB -0.335 29.150 29.700 -0.358 0.000 0.750 56 E HN 0.675 nan 8.360 nan 0.000 0.448 57 F N 0.940 120.769 119.950 -0.201 0.000 2.202 57 F HA -0.186 4.341 4.527 0.001 0.000 0.301 57 F C 2.540 178.261 175.800 -0.133 0.000 1.082 57 F CA 1.103 58.950 58.000 -0.255 0.000 1.313 57 F CB -1.397 37.285 39.000 -0.530 0.000 1.024 57 F HN -0.021 nan 8.300 nan 0.000 0.495 58 T N -0.373 114.231 114.554 0.083 0.000 2.708 58 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 58 T C 2.011 176.717 174.700 0.009 0.000 1.037 58 T CA 1.555 63.686 62.100 0.052 0.000 1.146 58 T CB -0.167 68.735 68.868 0.056 0.000 0.865 58 T HN 0.075 nan 8.240 nan 0.000 0.435 59 K N 0.893 121.289 120.400 -0.007 0.000 1.978 59 K HA -0.003 4.317 4.320 -0.000 0.000 0.214 59 K C 2.114 178.703 176.600 -0.018 0.000 1.049 59 K CA 1.024 57.300 56.287 -0.019 0.000 0.939 59 K CB -0.649 31.833 32.500 -0.031 0.000 0.721 59 K HN 0.144 nan 8.250 nan 0.000 0.441 60 L N -0.232 120.987 121.223 -0.006 0.000 2.125 60 L HA -0.352 3.988 4.340 -0.000 0.000 0.234 60 L C 1.960 178.815 176.870 -0.025 0.000 1.110 60 L CA 2.095 56.930 54.840 -0.007 0.000 0.832 60 L CB -0.724 41.348 42.059 0.021 0.000 0.922 60 L HN 0.401 nan 8.230 nan 0.000 0.449 61 A N -2.101 120.707 122.820 -0.021 0.000 2.337 61 A HA 0.417 4.737 4.320 -0.000 0.000 0.227 61 A C 1.902 179.458 177.584 -0.046 0.000 1.259 61 A CA 0.793 52.809 52.037 -0.035 0.000 0.870 61 A CB -0.104 18.876 19.000 -0.032 0.000 0.927 61 A HN 0.462 nan 8.150 nan 0.000 0.497 62 A N -0.321 122.475 122.820 -0.041 0.000 1.956 62 A HA 0.143 4.463 4.320 -0.000 0.000 0.212 62 A C 0.985 178.543 177.584 -0.044 0.000 1.188 62 A CA 0.511 52.522 52.037 -0.043 0.000 0.675 62 A CB -0.258 18.721 19.000 -0.035 0.000 0.845 62 A HN 0.417 nan 8.150 nan 0.000 0.455 63 D N 1.154 121.526 120.400 -0.046 0.000 2.581 63 D HA -0.011 4.629 4.640 -0.000 0.000 0.238 63 D C -1.592 174.678 176.300 -0.050 0.000 1.145 63 D CA -0.902 53.068 54.000 -0.050 0.000 0.866 63 D CB 0.923 41.688 40.800 -0.059 0.000 1.151 63 D HN 0.194 nan 8.370 nan 0.000 0.500 64 P HA -0.007 nan 4.420 nan 0.000 0.255 64 P C 0.591 177.868 177.300 -0.039 0.000 1.248 64 P CA 0.186 63.262 63.100 -0.039 0.000 0.807 64 P CB 0.154 31.834 31.700 -0.032 0.000 1.150 65 S N -0.931 114.741 115.700 -0.048 0.000 2.622 65 S HA 0.200 4.670 4.470 -0.000 0.000 0.236 65 S C 0.342 174.906 174.600 -0.061 0.000 0.956 65 S CA -0.419 57.750 58.200 -0.051 0.000 0.971 65 S CB -0.723 62.441 63.200 -0.059 0.000 0.782 65 S HN -0.181 nan 8.310 nan 0.000 0.468 66 V N 1.367 121.247 119.914 -0.056 0.000 2.667 66 V HA 0.487 4.607 4.120 -0.000 0.000 0.308 66 V C -0.221 175.854 176.094 -0.033 0.000 1.048 66 V CA -0.824 61.442 62.300 -0.057 0.000 0.928 66 V CB 1.964 33.751 31.823 -0.061 0.000 1.004 66 V HN 0.265 nan 8.190 nan 0.000 0.444 67 V N 3.801 123.703 119.914 -0.020 0.000 2.364 67 V HA 0.301 4.421 4.120 -0.000 0.000 0.272 67 V C 0.247 176.362 176.094 0.035 0.000 1.036 67 V CA -0.566 61.742 62.300 0.014 0.000 0.880 67 V CB 1.292 33.133 31.823 0.030 0.000 0.991 67 V HN 0.840 nan 8.190 nan 0.000 0.460 68 N N 5.593 124.312 118.700 0.032 0.000 2.469 68 N HA 0.280 5.019 4.740 -0.000 0.000 0.239 68 N C -0.073 175.493 175.510 0.093 0.000 1.053 68 N CA -0.117 52.953 53.050 0.034 0.000 0.937 68 N CB 0.942 39.420 38.487 -0.014 0.000 1.163 68 N HN 0.662 nan 8.380 nan 0.000 0.509 69 L N 2.468 123.765 121.223 0.125 0.000 3.017 69 L HA 0.349 4.689 4.340 -0.000 0.000 0.255 69 L C 1.466 178.431 176.870 0.157 0.000 1.247 69 L CA -0.392 54.574 54.840 0.210 0.000 1.038 69 L CB 0.447 42.741 42.059 0.392 0.000 1.380 69 L HN 0.504 nan 8.230 nan 0.000 0.548 70 G N 0.353 109.212 108.800 0.098 0.000 2.722 70 G HA2 0.033 3.993 3.960 -0.000 0.000 0.201 70 G HA3 0.033 3.993 3.960 -0.000 0.000 0.201 70 G C 0.275 175.304 174.900 0.214 0.000 1.926 70 G CA -0.078 45.046 45.100 0.039 0.000 0.872 70 G HN 0.397 nan 8.290 nan 0.000 0.581 71 Q N -0.081 119.892 119.800 0.288 0.000 2.479 71 Q HA 0.444 4.784 4.340 -0.000 0.000 0.267 71 Q C 0.367 176.671 176.000 0.508 0.000 1.071 71 Q CA 0.332 56.449 55.803 0.523 0.000 0.935 71 Q CB 0.492 29.586 28.738 0.593 0.000 1.295 71 Q HN 0.367 nan 8.270 nan 0.000 0.476 72 G N 1.674 110.831 108.800 0.595 0.000 2.915 72 G HA2 0.373 4.333 3.960 -0.000 0.000 0.298 72 G HA3 0.373 4.333 3.960 -0.000 0.000 0.298 72 G C -1.607 173.510 174.900 0.362 0.000 0.837 72 G CA -0.476 44.971 45.100 0.578 0.000 1.752 72 G HN 0.530 nan 8.290 nan 0.000 0.526 73 F N 4.109 124.107 119.950 0.080 0.000 2.646 73 F HA 0.478 5.005 4.527 -0.000 0.000 0.364 73 F C -2.457 173.312 175.800 -0.051 0.000 1.137 73 F CA -2.946 55.082 58.000 0.048 0.000 1.085 73 F CB 2.415 41.467 39.000 0.085 0.000 1.331 73 F HN 0.128 nan 8.300 nan 0.000 0.472 74 P HA 0.113 nan 4.420 nan 0.000 0.268 74 P C -0.352 176.818 177.300 -0.218 0.000 1.204 74 P CA 0.359 63.286 63.100 -0.287 0.000 0.768 74 P CB 0.708 32.232 31.700 -0.293 0.000 0.842 75 D N 2.152 122.536 120.400 -0.027 0.000 2.513 75 D HA 0.035 4.675 4.640 -0.000 0.000 0.222 75 D C 0.629 176.939 176.300 0.017 0.000 1.210 75 D CA -0.217 53.821 54.000 0.063 0.000 0.825 75 D CB -0.725 40.203 40.800 0.213 0.000 1.037 75 D HN 0.374 nan 8.370 nan 0.000 0.506 76 I N -1.629 118.927 120.570 -0.024 0.000 3.004 76 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 76 I C 0.218 176.318 176.117 -0.028 0.000 1.144 76 I CA -0.704 60.590 61.300 -0.011 0.000 1.353 76 I CB 0.837 38.836 38.000 -0.002 0.000 1.417 76 I HN -0.289 nan 8.210 nan 0.000 0.602 77 S N 4.851 120.541 115.700 -0.018 0.000 2.549 77 S HA 0.233 4.703 4.470 -0.000 0.000 0.283 77 S C -1.878 172.676 174.600 -0.077 0.000 1.320 77 S CA -0.760 57.413 58.200 -0.044 0.000 1.058 77 S CB 0.025 63.205 63.200 -0.033 0.000 0.882 77 S HN 0.587 nan 8.310 nan 0.000 0.498 78 P HA 0.244 nan 4.420 nan 0.000 0.271 78 P C -2.823 174.281 177.300 -0.326 0.000 1.233 78 P CA -1.530 61.428 63.100 -0.237 0.000 0.789 78 P CB -0.783 30.744 31.700 -0.288 0.000 0.951 79 P HA -0.003 nan 4.420 nan 0.000 0.271 79 P C 1.308 178.237 177.300 -0.618 0.000 1.220 79 P CA 0.177 62.842 63.100 -0.726 0.000 0.768 79 P CB 0.112 30.971 31.700 -1.400 0.000 0.848 80 S N 3.543 119.052 115.700 -0.318 0.000 2.389 80 S HA -0.313 4.157 4.470 -0.000 0.000 0.231 80 S C 1.790 176.319 174.600 -0.119 0.000 1.052 80 S CA 1.965 60.077 58.200 -0.147 0.000 1.053 80 S CB -1.846 61.345 63.200 -0.015 0.000 0.886 80 S HN 0.590 nan 8.310 nan 0.000 0.456 81 Y N 0.968 121.210 120.300 -0.098 0.000 2.421 81 Y HA 0.257 4.807 4.550 -0.000 0.000 0.292 81 Y C 2.163 178.002 175.900 -0.102 0.000 1.136 81 Y CA 0.392 58.443 58.100 -0.082 0.000 1.255 81 Y CB -0.892 37.520 38.460 -0.081 0.000 0.991 81 Y HN 0.136 nan 8.280 nan 0.000 0.552 82 V N 0.994 120.625 119.914 -0.471 0.000 2.358 82 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 82 V C 2.263 178.329 176.094 -0.047 0.000 1.047 82 V CA 2.147 64.237 62.300 -0.349 0.000 1.035 82 V CB -0.567 30.834 31.823 -0.703 0.000 0.658 82 V HN 0.330 nan 8.190 nan 0.000 0.452 83 K N -0.045 120.312 120.400 -0.071 0.000 2.026 83 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 83 K C 2.173 178.826 176.600 0.089 0.000 1.048 83 K CA 1.450 57.774 56.287 0.062 0.000 0.929 83 K CB -0.226 32.281 32.500 0.012 0.000 0.713 83 K HN 0.485 nan 8.250 nan 0.000 0.439 84 E N 0.919 121.159 120.200 0.067 0.000 2.058 84 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 84 E C 1.956 178.622 176.600 0.111 0.000 0.997 84 E CA 1.099 57.554 56.400 0.092 0.000 0.801 84 E CB -0.083 29.678 29.700 0.101 0.000 0.746 84 E HN 0.318 nan 8.360 nan 0.000 0.450 85 E N 0.842 121.119 120.200 0.128 0.000 2.077 85 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 85 E C 2.231 178.895 176.600 0.108 0.000 0.989 85 E CA 0.389 56.867 56.400 0.131 0.000 0.800 85 E CB -0.369 29.420 29.700 0.150 0.000 0.746 85 E HN 0.127 nan 8.360 nan 0.000 0.452 86 L N 1.150 122.452 121.223 0.133 0.000 2.081 86 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 86 L C 2.401 179.249 176.870 -0.036 0.000 1.080 86 L CA 1.697 56.534 54.840 -0.005 0.000 0.754 86 L CB -0.850 41.190 42.059 -0.032 0.000 0.893 86 L HN -0.017 nan 8.230 nan 0.000 0.433 87 S N -1.122 114.595 115.700 0.028 0.000 2.368 87 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 87 S C 2.015 176.677 174.600 0.103 0.000 1.029 87 S CA 1.204 59.427 58.200 0.038 0.000 0.988 87 S CB -0.123 63.146 63.200 0.115 0.000 0.838 87 S HN 0.495 nan 8.310 nan 0.000 0.462 88 K N 0.966 121.443 120.400 0.127 0.000 2.057 88 K HA -0.002 4.318 4.320 -0.000 0.000 0.207 88 K C 2.336 179.009 176.600 0.121 0.000 1.049 88 K CA 1.210 57.595 56.287 0.163 0.000 0.931 88 K CB -0.452 32.122 32.500 0.124 0.000 0.714 88 K HN 0.419 nan 8.250 nan 0.000 0.440 89 A N 1.589 124.436 122.820 0.045 0.000 2.015 89 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 89 A C 2.349 179.896 177.584 -0.062 0.000 1.163 89 A CA 1.599 53.636 52.037 0.001 0.000 0.646 89 A CB -0.454 18.525 19.000 -0.034 0.000 0.806 89 A HN 0.324 nan 8.150 nan 0.000 0.448 90 A N -1.273 121.455 122.820 -0.155 0.000 2.015 90 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 90 A C 1.520 178.904 177.584 -0.333 0.000 1.163 90 A CA 1.076 52.926 52.037 -0.312 0.000 0.646 90 A CB -0.610 18.101 19.000 -0.483 0.000 0.806 90 A HN 0.453 nan 8.150 nan 0.000 0.448 91 F N -0.427 119.514 119.950 -0.014 0.000 2.773 91 F HA 0.336 4.863 4.527 0.000 0.000 0.304 91 F C 0.327 176.125 175.800 -0.003 0.000 1.129 91 F CA -0.047 57.949 58.000 -0.008 0.000 1.378 91 F CB -0.064 38.934 39.000 -0.002 0.000 1.095 91 F HN -0.009 nan 8.300 nan 0.000 0.565 92 I N 0.470 121.114 120.570 0.124 0.000 2.330 92 I HA 0.104 4.274 4.170 -0.000 0.000 0.286 92 I C 0.712 176.856 176.117 0.045 0.000 1.025 92 I CA -0.486 60.866 61.300 0.087 0.000 1.197 92 I CB 0.874 38.921 38.000 0.079 0.000 1.358 92 I HN -0.057 nan 8.210 nan 0.000 0.467 93 D N 4.297 124.725 120.400 0.047 0.000 2.230 93 D HA -0.252 4.388 4.640 -0.000 0.000 0.189 93 D C 1.517 177.827 176.300 0.017 0.000 1.006 93 D CA 1.820 55.834 54.000 0.024 0.000 0.853 93 D CB -0.145 40.671 40.800 0.028 0.000 0.959 93 D HN 0.531 nan 8.370 nan 0.000 0.449 94 N N 0.245 118.966 118.700 0.035 0.000 2.132 94 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 94 N C 1.769 177.303 175.510 0.040 0.000 1.015 94 N CA 0.937 54.014 53.050 0.046 0.000 0.864 94 N CB -0.303 38.226 38.487 0.070 0.000 1.006 94 N HN 0.235 nan 8.380 nan 0.000 0.430 95 M N 0.864 120.480 119.600 0.027 0.000 2.358 95 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 95 M C 0.766 177.036 176.300 -0.050 0.000 1.064 95 M CA 1.029 56.325 55.300 -0.007 0.000 1.093 95 M CB -1.196 31.393 32.600 -0.018 0.000 1.401 95 M HN 0.138 nan 8.290 nan 0.000 0.440 96 N N -0.897 117.773 118.700 -0.050 0.000 2.336 96 N HA -0.007 4.733 4.740 -0.000 0.000 0.189 96 N C 0.179 175.635 175.510 -0.090 0.000 1.113 96 N CA 0.160 53.163 53.050 -0.080 0.000 0.858 96 N CB 0.374 38.810 38.487 -0.085 0.000 0.970 96 N HN 0.196 nan 8.380 nan 0.000 0.471 97 Q N -0.193 119.573 119.800 -0.057 0.000 2.195 97 Q HA 0.233 4.573 4.340 -0.000 0.000 0.250 97 Q C -0.480 175.519 176.000 -0.002 0.000 0.988 97 Q CA -0.753 55.002 55.803 -0.079 0.000 0.911 97 Q CB 0.198 28.924 28.738 -0.020 0.000 1.258 97 Q HN 0.161 nan 8.270 nan 0.000 0.475 98 Y N 0.308 120.636 120.300 0.046 0.000 3.059 98 Y HA -0.030 4.519 4.550 -0.001 0.000 0.343 98 Y C 1.182 177.135 175.900 0.088 0.000 1.273 98 Y CA 0.969 59.112 58.100 0.072 0.000 1.572 98 Y CB -0.036 38.471 38.460 0.078 0.000 1.228 98 Y HN 0.429 nan 8.280 nan 0.000 0.610 99 T N 2.620 117.357 114.554 0.304 0.000 2.693 99 T HA 0.411 4.761 4.350 -0.000 0.000 0.278 99 T C -0.676 174.138 174.700 0.190 0.000 0.994 99 T CA -1.125 61.127 62.100 0.252 0.000 1.033 99 T CB 0.968 70.034 68.868 0.329 0.000 1.342 99 T HN 0.636 nan 8.240 nan 0.000 0.538 100 R N 0.439 121.033 120.500 0.157 0.000 2.421 100 R HA 0.280 4.620 4.340 -0.000 0.000 0.305 100 R C 1.641 177.919 176.300 -0.036 0.000 1.039 100 R CA 0.788 56.908 56.100 0.034 0.000 1.003 100 R CB -0.132 30.189 30.300 0.034 0.000 0.959 100 R HN 0.841 nan 8.270 nan 0.000 0.427 101 G N 4.472 113.117 108.800 -0.258 0.000 2.679 101 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.222 101 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.222 101 G C 0.669 175.526 174.900 -0.073 0.000 1.164 101 G CA 0.824 45.639 45.100 -0.476 0.000 0.769 101 G HN 0.639 nan 8.290 nan 0.000 0.610 102 F N 1.464 121.331 119.950 -0.139 0.000 2.693 102 F HA 0.468 4.995 4.527 -0.000 0.000 0.303 102 F C 1.313 177.117 175.800 0.006 0.000 1.097 102 F CA -0.295 57.655 58.000 -0.082 0.000 1.330 102 F CB 0.070 39.020 39.000 -0.083 0.000 1.067 102 F HN 0.421 nan 8.300 nan 0.000 0.565 103 G N -0.408 108.522 108.800 0.216 0.000 2.521 103 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.589 103 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.589 103 G C -1.347 173.677 174.900 0.207 0.000 1.501 103 G CA -1.249 43.978 45.100 0.212 0.000 0.887 103 G HN 0.184 nan 8.290 nan 0.000 0.654 104 H N 4.090 123.231 119.070 0.118 0.000 3.070 104 H HA 0.335 4.891 4.556 -0.000 0.000 0.313 104 H C -0.950 174.435 175.328 0.094 0.000 0.997 104 H CA -0.364 55.746 56.048 0.103 0.000 1.438 104 H CB 1.179 31.010 29.762 0.116 0.000 1.455 104 H HN 0.194 nan 8.280 nan 0.000 0.575 105 P HA -0.226 nan 4.420 nan 0.000 0.216 105 P C 1.050 178.309 177.300 -0.069 0.000 1.153 105 P CA 2.256 65.295 63.100 -0.101 0.000 0.858 105 P CB -0.002 31.631 31.700 -0.111 0.000 0.789 106 A N -1.032 121.691 122.820 -0.161 0.000 2.019 106 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 106 A C 2.119 179.790 177.584 0.144 0.000 1.164 106 A CA 1.370 53.458 52.037 0.084 0.000 0.644 106 A CB -1.491 17.602 19.000 0.155 0.000 0.805 106 A HN 0.183 nan 8.150 nan 0.000 0.449 107 L N 0.374 121.692 121.223 0.158 0.000 2.095 107 L HA -0.047 4.293 4.340 -0.000 0.000 0.204 107 L C 2.425 179.273 176.870 -0.037 0.000 1.080 107 L CA 2.274 57.182 54.840 0.113 0.000 0.759 107 L CB -0.438 41.754 42.059 0.222 0.000 0.914 107 L HN 0.332 nan 8.230 nan 0.000 0.439 108 V N -3.267 116.648 119.914 0.002 0.000 2.809 108 V HA -0.104 4.016 4.120 -0.000 0.000 0.256 108 V C 2.488 178.543 176.094 -0.065 0.000 1.080 108 V CA 1.293 63.561 62.300 -0.053 0.000 1.102 108 V CB -1.042 30.786 31.823 0.007 0.000 0.705 108 V HN 0.398 nan 8.190 nan 0.000 0.475 109 K N 0.897 121.294 120.400 -0.004 0.000 2.057 109 K HA -0.048 4.272 4.320 -0.000 0.000 0.207 109 K C 2.301 178.877 176.600 -0.040 0.000 1.049 109 K CA 1.606 57.927 56.287 0.057 0.000 0.931 109 K CB -0.413 32.202 32.500 0.192 0.000 0.714 109 K HN 0.601 nan 8.250 nan 0.000 0.440 110 A N 1.410 124.082 122.820 -0.248 0.000 1.855 110 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 110 A C 2.229 179.459 177.584 -0.591 0.000 1.191 110 A CA 1.101 52.689 52.037 -0.748 0.000 0.613 110 A CB -0.672 17.780 19.000 -0.914 0.000 0.829 110 A HN 0.240 nan 8.150 nan 0.000 0.442 111 L N 0.553 121.440 121.223 -0.561 0.000 2.043 111 L HA -0.227 4.112 4.340 -0.000 0.000 0.212 111 L C 3.010 179.769 176.870 -0.185 0.000 1.075 111 L CA 1.787 56.311 54.840 -0.526 0.000 0.752 111 L CB -0.468 41.238 42.059 -0.589 0.000 0.891 111 L HN 0.647 nan 8.230 nan 0.000 0.432 112 S N -1.501 114.109 115.700 -0.151 0.000 2.428 112 S HA -0.195 4.275 4.470 -0.000 0.000 0.230 112 S C 2.064 176.656 174.600 -0.012 0.000 1.014 112 S CA 0.789 58.956 58.200 -0.056 0.000 0.957 112 S CB -0.736 62.442 63.200 -0.037 0.000 0.784 112 S HN 0.606 nan 8.310 nan 0.000 0.499 113 C N 0.323 119.599 119.300 -0.041 0.000 2.551 113 C HA 0.391 4.850 4.460 -0.000 0.000 0.277 113 C C 2.291 177.281 174.990 -0.001 0.000 1.349 113 C CA 0.132 59.160 59.018 0.016 0.000 1.750 113 C CB -1.363 26.436 27.740 0.098 0.000 2.058 113 C HN 0.575 nan 8.230 nan 0.000 0.518 114 L N 0.684 121.851 121.223 -0.093 0.000 1.994 114 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 114 L C 2.172 178.989 176.870 -0.089 0.000 1.071 114 L CA 2.288 57.059 54.840 -0.115 0.000 0.745 114 L CB -1.145 40.743 42.059 -0.285 0.000 0.892 114 L HN 0.461 nan 8.230 nan 0.000 0.431 115 Y N -0.305 119.994 120.300 -0.002 0.000 2.457 115 Y HA 0.091 4.641 4.550 0.000 0.000 0.292 115 Y C 2.430 178.442 175.900 0.187 0.000 1.125 115 Y CA 0.748 58.939 58.100 0.152 0.000 1.254 115 Y CB -0.893 37.664 38.460 0.163 0.000 1.012 115 Y HN 0.274 nan 8.280 nan 0.000 0.555 116 G N 0.696 109.599 108.800 0.172 0.000 2.529 116 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 116 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 116 G C 1.636 176.610 174.900 0.123 0.000 1.177 116 G CA 1.473 46.632 45.100 0.098 0.000 0.773 116 G HN 0.306 nan 8.290 nan 0.000 0.573 117 K N -0.169 120.295 120.400 0.106 0.000 2.032 117 K HA 0.014 4.334 4.320 -0.000 0.000 0.209 117 K C 2.507 179.171 176.600 0.107 0.000 1.048 117 K CA 1.229 57.574 56.287 0.096 0.000 0.927 117 K CB -0.259 32.296 32.500 0.091 0.000 0.712 117 K HN 0.381 nan 8.250 nan 0.000 0.441 118 I N -0.616 120.026 120.570 0.120 0.000 2.202 118 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 118 I C 1.641 177.812 176.117 0.091 0.000 1.091 118 I CA 1.258 62.603 61.300 0.075 0.000 1.368 118 I CB -0.150 37.856 38.000 0.011 0.000 1.058 118 I HN 0.156 nan 8.210 nan 0.000 0.410 119 Y N 0.687 121.028 120.300 0.069 0.000 2.616 119 Y HA -0.102 4.448 4.550 -0.000 0.000 0.296 119 Y C 0.947 176.848 175.900 0.002 0.000 1.154 119 Y CA 0.351 58.481 58.100 0.051 0.000 1.325 119 Y CB -0.213 38.277 38.460 0.050 0.000 1.007 119 Y HN 0.197 nan 8.280 nan 0.000 0.542 120 Q N 0.354 120.238 119.800 0.139 0.000 2.451 120 Q HA -0.267 4.073 4.340 -0.000 0.000 0.305 120 Q C -0.076 175.949 176.000 0.040 0.000 1.345 120 Q CA 0.553 56.398 55.803 0.071 0.000 0.854 120 Q CB -0.642 28.121 28.738 0.043 0.000 1.162 120 Q HN 0.449 nan 8.270 nan 0.000 0.440 121 R N -0.338 120.186 120.500 0.039 0.000 2.869 121 R HA 0.437 4.777 4.340 -0.000 0.000 0.263 121 R C -1.137 175.118 176.300 -0.076 0.000 1.066 121 R CA -0.730 55.328 56.100 -0.070 0.000 0.960 121 R CB 1.496 31.682 30.300 -0.190 0.000 1.221 121 R HN 0.206 nan 8.270 nan 0.000 0.474 122 Q N 2.339 122.063 119.800 -0.126 0.000 2.274 122 Q HA 0.327 4.667 4.340 -0.000 0.000 0.256 122 Q C -0.893 175.004 176.000 -0.173 0.000 0.927 122 Q CA -0.321 55.416 55.803 -0.110 0.000 0.939 122 Q CB 0.863 29.551 28.738 -0.082 0.000 1.201 122 Q HN 0.373 nan 8.270 nan 0.000 0.426 123 I N 3.331 123.829 120.570 -0.120 0.000 2.433 123 I HA 0.192 4.362 4.170 -0.000 0.000 0.292 123 I C -0.419 175.668 176.117 -0.049 0.000 1.001 123 I CA -0.715 60.516 61.300 -0.115 0.000 1.119 123 I CB 1.672 39.598 38.000 -0.122 0.000 1.289 123 I HN 0.655 nan 8.210 nan 0.000 0.438 124 D N 9.333 129.720 120.400 -0.022 0.000 2.380 124 D HA 0.231 4.871 4.640 -0.000 0.000 0.230 124 D C -1.597 174.702 176.300 -0.002 0.000 1.154 124 D CA -2.194 51.804 54.000 -0.004 0.000 0.859 124 D CB 1.813 42.620 40.800 0.011 0.000 1.045 124 D HN 0.182 nan 8.370 nan 0.000 0.495 125 P HA -0.176 nan 4.420 nan 0.000 0.217 125 P C 0.670 177.978 177.300 0.013 0.000 1.148 125 P CA 1.163 64.260 63.100 -0.003 0.000 0.834 125 P CB 0.494 32.199 31.700 0.008 0.000 0.783 126 N N -1.016 117.700 118.700 0.027 0.000 2.432 126 N HA -0.020 4.720 4.740 -0.000 0.000 0.174 126 N C 1.410 176.944 175.510 0.039 0.000 1.037 126 N CA 0.689 53.772 53.050 0.056 0.000 0.892 126 N CB 0.117 38.646 38.487 0.070 0.000 1.049 126 N HN 0.261 nan 8.380 nan 0.000 0.442 127 E N 0.781 120.990 120.200 0.015 0.000 2.415 127 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 127 E C 0.427 176.999 176.600 -0.047 0.000 1.007 127 E CA 0.413 56.805 56.400 -0.013 0.000 0.890 127 E CB 0.230 29.934 29.700 0.007 0.000 0.891 127 E HN 0.452 nan 8.360 nan 0.000 0.496 128 E N 0.557 120.742 120.200 -0.024 0.000 2.538 128 E HA 0.282 4.632 4.350 -0.000 0.000 0.207 128 E C 0.141 176.701 176.600 -0.067 0.000 1.002 128 E CA -0.008 56.375 56.400 -0.028 0.000 0.952 128 E CB 0.949 30.700 29.700 0.086 0.000 1.031 128 E HN 0.100 nan 8.360 nan 0.000 0.476 129 I N 1.415 121.943 120.570 -0.071 0.000 2.647 129 I HA 0.350 4.520 4.170 -0.000 0.000 0.295 129 I C -1.252 174.825 176.117 -0.067 0.000 1.078 129 I CA -1.329 59.937 61.300 -0.057 0.000 1.048 129 I CB 2.136 40.111 38.000 -0.042 0.000 1.239 129 I HN -0.093 nan 8.210 nan 0.000 0.421 130 L N 6.696 127.897 121.223 -0.036 0.000 2.381 130 L HA 0.595 4.935 4.340 -0.000 0.000 0.274 130 L C -0.937 175.997 176.870 0.108 0.000 0.988 130 L CA -0.482 54.335 54.840 -0.037 0.000 0.824 130 L CB 1.855 43.836 42.059 -0.131 0.000 1.263 130 L HN 0.319 nan 8.230 nan 0.000 0.410 131 V N 4.694 124.710 119.914 0.170 0.000 2.567 131 V HA 0.926 5.046 4.120 -0.000 0.000 0.289 131 V C 0.434 176.703 176.094 0.292 0.000 1.049 131 V CA 0.265 62.727 62.300 0.270 0.000 0.969 131 V CB 0.979 32.977 31.823 0.291 0.000 0.995 131 V HN 1.053 nan 8.190 nan 0.000 0.471 132 A N 3.501 126.507 122.820 0.311 0.000 2.583 132 A HA 0.769 5.089 4.320 -0.000 0.000 0.289 132 A C -0.905 176.815 177.584 0.225 0.000 1.151 132 A CA -0.590 51.686 52.037 0.398 0.000 0.695 132 A CB 1.572 20.774 19.000 0.337 0.000 1.290 132 A HN 0.538 nan 8.150 nan 0.000 0.419 133 V N 2.298 122.239 119.914 0.045 0.000 2.364 133 V HA 0.454 4.574 4.120 -0.000 0.000 0.252 133 V C 1.238 177.326 176.094 -0.010 0.000 1.075 133 V CA 1.114 63.335 62.300 -0.132 0.000 1.033 133 V CB -0.976 30.568 31.823 -0.466 0.000 1.116 133 V HN 2.077 nan 8.190 nan 0.000 0.488 134 G N 4.653 113.475 108.800 0.037 0.000 2.960 134 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.267 134 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.267 134 G C 0.969 175.864 174.900 -0.008 0.000 1.492 134 G CA -0.035 45.079 45.100 0.023 0.000 0.953 134 G HN 1.363 nan 8.290 nan 0.000 0.555 135 A N -0.420 122.331 122.820 -0.114 0.000 2.084 135 A HA -0.079 4.241 4.320 -0.000 0.000 0.221 135 A C 2.038 179.612 177.584 -0.017 0.000 1.161 135 A CA 2.611 54.557 52.037 -0.151 0.000 0.653 135 A CB -0.454 18.381 19.000 -0.274 0.000 0.802 135 A HN 1.258 nan 8.150 nan 0.000 0.457 136 Y N 0.284 120.554 120.300 -0.051 0.000 2.145 136 Y HA -0.095 4.455 4.550 -0.000 0.000 0.286 136 Y C 2.587 178.526 175.900 0.065 0.000 1.145 136 Y CA 1.701 59.821 58.100 0.033 0.000 1.148 136 Y CB -0.635 37.843 38.460 0.031 0.000 0.981 136 Y HN 0.290 nan 8.280 nan 0.000 0.507 137 G N -1.802 107.148 108.800 0.250 0.000 2.443 137 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 137 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 137 G C 1.760 176.809 174.900 0.249 0.000 1.131 137 G CA 0.979 46.226 45.100 0.245 0.000 0.775 137 G HN 0.426 nan 8.290 nan 0.000 0.547 138 S N 0.716 116.491 115.700 0.126 0.000 2.355 138 S HA -0.038 4.432 4.470 -0.000 0.000 0.222 138 S C 2.262 176.880 174.600 0.030 0.000 1.031 138 S CA 0.807 59.041 58.200 0.058 0.000 0.993 138 S CB -0.290 62.887 63.200 -0.037 0.000 0.859 138 S HN 0.289 nan 8.310 nan 0.000 0.453 139 L N 0.213 121.438 121.223 0.004 0.000 2.012 139 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 139 L C 2.263 179.163 176.870 0.049 0.000 1.073 139 L CA 1.509 56.332 54.840 -0.029 0.000 0.748 139 L CB -0.574 41.450 42.059 -0.058 0.000 0.891 139 L HN 0.216 nan 8.230 nan 0.000 0.431 140 F N 1.161 121.091 119.950 -0.033 0.000 2.065 140 F HA -0.315 4.212 4.527 -0.000 0.000 0.298 140 F C 2.501 178.312 175.800 0.018 0.000 1.112 140 F CA 1.876 59.885 58.000 0.015 0.000 1.212 140 F CB -0.410 38.641 39.000 0.086 0.000 0.975 140 F HN 0.141 nan 8.300 nan 0.000 0.476 141 N N 0.274 119.056 118.700 0.136 0.000 2.060 141 N HA -0.201 4.539 4.740 -0.000 0.000 0.195 141 N C 2.022 177.455 175.510 -0.128 0.000 1.028 141 N CA 1.857 54.895 53.050 -0.020 0.000 0.861 141 N CB -0.827 37.695 38.487 0.058 0.000 1.029 141 N HN 0.306 nan 8.380 nan 0.000 0.428 142 S N 0.962 116.597 115.700 -0.108 0.000 2.348 142 S HA 0.003 4.473 4.470 -0.000 0.000 0.221 142 S C 2.190 176.690 174.600 -0.167 0.000 1.033 142 S CA 0.727 58.844 58.200 -0.139 0.000 1.010 142 S CB -0.184 62.930 63.200 -0.143 0.000 0.891 142 S HN 0.257 nan 8.310 nan 0.000 0.442 143 I N 1.542 122.001 120.570 -0.186 0.000 2.233 143 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 143 I C 2.752 178.718 176.117 -0.252 0.000 1.093 143 I CA 0.989 62.168 61.300 -0.201 0.000 1.380 143 I CB -0.331 37.566 38.000 -0.171 0.000 1.067 143 I HN 0.228 nan 8.210 nan 0.000 0.413 144 Q N 0.428 119.992 119.800 -0.393 0.000 2.135 144 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 144 Q C 2.223 178.066 176.000 -0.261 0.000 0.981 144 Q CA 1.792 57.343 55.803 -0.421 0.000 0.856 144 Q CB -0.504 27.776 28.738 -0.763 0.000 0.902 144 Q HN 0.625 nan 8.270 nan 0.000 0.425 145 G N -0.574 108.097 108.800 -0.215 0.000 2.712 145 G HA2 0.044 4.004 3.960 -0.000 0.000 0.212 145 G HA3 0.044 4.004 3.960 -0.000 0.000 0.212 145 G C 1.228 176.051 174.900 -0.127 0.000 1.142 145 G CA 0.038 45.055 45.100 -0.139 0.000 0.789 145 G HN 0.219 nan 8.290 nan 0.000 0.535 146 L N -0.164 120.977 121.223 -0.137 0.000 3.039 146 L HA 0.320 4.660 4.340 -0.000 0.000 0.269 146 L C -0.573 176.224 176.870 -0.120 0.000 1.169 146 L CA 0.110 54.884 54.840 -0.111 0.000 0.986 146 L CB 1.500 43.500 42.059 -0.099 0.000 1.377 146 L HN -0.101 nan 8.230 nan 0.000 0.575 147 V N -0.387 119.446 119.914 -0.135 0.000 2.686 147 V HA 0.456 4.576 4.120 -0.000 0.000 0.306 147 V C -1.171 174.853 176.094 -0.117 0.000 1.065 147 V CA -0.777 61.448 62.300 -0.126 0.000 0.894 147 V CB 2.680 34.421 31.823 -0.137 0.000 1.004 147 V HN -0.067 nan 8.190 nan 0.000 0.424 148 D N 3.738 124.078 120.400 -0.100 0.000 2.269 148 D HA 0.482 5.122 4.640 -0.000 0.000 0.244 148 D C -2.729 173.526 176.300 -0.074 0.000 0.992 148 D CA -1.616 52.333 54.000 -0.086 0.000 0.894 148 D CB 2.461 43.215 40.800 -0.078 0.000 1.248 148 D HN 0.232 nan 8.370 nan 0.000 0.468 149 P HA 0.083 nan 4.420 nan 0.000 0.261 149 P C 0.760 178.030 177.300 -0.051 0.000 1.173 149 P CA 0.873 63.942 63.100 -0.051 0.000 0.760 149 P CB 0.411 32.088 31.700 -0.040 0.000 0.783 150 G N 1.759 110.528 108.800 -0.052 0.000 2.195 150 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.246 150 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.246 150 G C 0.064 174.928 174.900 -0.061 0.000 0.984 150 G CA -0.270 44.800 45.100 -0.050 0.000 0.633 150 G HN 0.494 nan 8.290 nan 0.000 0.525 151 D N 1.126 121.481 120.400 -0.074 0.000 2.329 151 D HA 0.512 5.152 4.640 -0.000 0.000 0.246 151 D C 0.494 176.725 176.300 -0.114 0.000 1.111 151 D CA 0.087 54.035 54.000 -0.088 0.000 0.941 151 D CB 0.788 41.532 40.800 -0.094 0.000 1.169 151 D HN 0.486 nan 8.370 nan 0.000 0.441 152 E N 0.174 120.294 120.200 -0.133 0.000 2.166 152 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 152 E C -0.871 175.592 176.600 -0.228 0.000 0.941 152 E CA -0.777 55.513 56.400 -0.184 0.000 0.784 152 E CB 1.940 31.527 29.700 -0.189 0.000 1.115 152 E HN 0.048 nan 8.360 nan 0.000 0.399 153 V N 4.484 124.241 119.914 -0.263 0.000 2.495 153 V HA 0.373 4.493 4.120 -0.000 0.000 0.298 153 V C -0.084 175.794 176.094 -0.360 0.000 1.031 153 V CA -0.744 61.380 62.300 -0.293 0.000 0.871 153 V CB 1.446 33.114 31.823 -0.258 0.000 0.988 153 V HN 0.611 nan 8.190 nan 0.000 0.432 154 I N 5.582 125.925 120.570 -0.379 0.000 2.342 154 I HA 0.460 4.630 4.170 -0.000 0.000 0.291 154 I C -0.497 175.453 176.117 -0.278 0.000 1.010 154 I CA -0.019 61.056 61.300 -0.374 0.000 1.308 154 I CB 0.984 38.704 38.000 -0.466 0.000 1.400 154 I HN 0.432 nan 8.210 nan 0.000 0.488 155 I N 6.511 126.955 120.570 -0.209 0.000 2.498 155 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 155 I C -0.463 175.760 176.117 0.177 0.000 1.032 155 I CA -0.597 60.671 61.300 -0.052 0.000 1.073 155 I CB 2.104 40.014 38.000 -0.151 0.000 1.251 155 I HN 0.475 nan 8.210 nan 0.000 0.426 156 M N 6.232 125.982 119.600 0.249 0.000 2.120 156 M HA 0.298 4.778 4.480 -0.000 0.000 0.354 156 M C -0.428 176.159 176.300 0.478 0.000 1.287 156 M CA -0.451 55.043 55.300 0.323 0.000 1.103 156 M CB 1.425 34.194 32.600 0.283 0.000 1.623 156 M HN 0.451 nan 8.290 nan 0.000 0.471 157 V N 7.127 127.295 119.914 0.423 0.000 2.539 157 V HA 0.659 4.779 4.120 -0.000 0.000 0.292 157 V C -2.504 173.563 176.094 -0.046 0.000 1.045 157 V CA -1.943 60.532 62.300 0.292 0.000 0.945 157 V CB 1.389 33.365 31.823 0.256 0.000 0.993 157 V HN 0.619 nan 8.190 nan 0.000 0.464 158 P HA 0.426 nan 4.420 nan 0.000 0.276 158 P C -1.258 176.065 177.300 0.038 0.000 1.244 158 P CA -0.100 62.787 63.100 -0.355 0.000 0.801 158 P CB 0.513 31.900 31.700 -0.521 0.000 1.006 159 F N -1.335 118.660 119.950 0.075 0.000 2.577 159 F HA 0.539 5.066 4.527 -0.000 0.000 0.318 159 F C -0.193 175.548 175.800 -0.099 0.000 1.065 159 F CA -1.876 56.133 58.000 0.016 0.000 0.929 159 F CB 0.285 39.372 39.000 0.146 0.000 1.237 159 F HN 0.180 nan 8.300 nan 0.000 0.468 160 Y N 3.281 123.375 120.300 -0.342 0.000 2.969 160 Y HA -0.052 4.498 4.550 -0.000 0.000 0.339 160 Y C 1.630 177.372 175.900 -0.263 0.000 1.272 160 Y CA 0.168 58.044 58.100 -0.373 0.000 1.577 160 Y CB 0.388 38.498 38.460 -0.583 0.000 1.234 160 Y HN 0.763 nan 8.280 nan 0.000 0.590 161 D N 2.660 122.837 120.400 -0.373 0.000 2.347 161 D HA -0.160 4.480 4.640 -0.000 0.000 0.215 161 D C 1.950 178.238 176.300 -0.019 0.000 0.976 161 D CA 1.048 54.974 54.000 -0.123 0.000 0.884 161 D CB -1.216 39.382 40.800 -0.336 0.000 0.915 161 D HN 0.566 nan 8.370 nan 0.000 0.526 162 C N -0.513 118.653 119.300 -0.223 0.000 2.481 162 C HA 0.043 4.503 4.460 -0.000 0.000 0.275 162 C C 2.263 177.323 174.990 0.117 0.000 1.419 162 C CA -0.310 58.664 59.018 -0.074 0.000 1.773 162 C CB -1.483 26.104 27.740 -0.256 0.000 1.862 162 C HN 0.105 nan 8.230 nan 0.000 0.530 163 Y N 1.980 122.314 120.300 0.056 0.000 2.097 163 Y HA -0.095 4.454 4.550 -0.000 0.000 0.282 163 Y C 2.639 178.462 175.900 -0.129 0.000 1.152 163 Y CA 1.608 59.667 58.100 -0.068 0.000 1.136 163 Y CB -1.449 36.934 38.460 -0.129 0.000 0.975 163 Y HN 0.501 nan 8.280 nan 0.000 0.498 164 E N 0.168 120.368 120.200 -0.000 0.000 2.026 164 E HA -0.225 4.125 4.350 -0.000 0.000 0.206 164 E C -0.542 176.103 176.600 0.075 0.000 1.028 164 E CA 2.099 58.515 56.400 0.027 0.000 0.845 164 E CB -0.935 28.857 29.700 0.153 0.000 0.772 164 E HN 0.239 nan 8.360 nan 0.000 0.462 165 P HA -0.167 nan 4.420 nan 0.000 0.218 165 P C 1.520 178.872 177.300 0.088 0.000 1.149 165 P CA 1.446 64.601 63.100 0.092 0.000 0.817 165 P CB -0.163 31.595 31.700 0.096 0.000 0.785 166 M N -0.033 119.625 119.600 0.096 0.000 2.073 166 M HA -0.155 4.325 4.480 -0.000 0.000 0.258 166 M C 2.380 178.696 176.300 0.027 0.000 1.070 166 M CA 2.088 57.448 55.300 0.100 0.000 1.103 166 M CB -1.195 31.466 32.600 0.101 0.000 1.321 166 M HN -0.151 nan 8.290 nan 0.000 0.405 167 V N 0.527 120.430 119.914 -0.018 0.000 2.332 167 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 167 V C 2.168 178.234 176.094 -0.047 0.000 1.055 167 V CA 1.931 64.192 62.300 -0.066 0.000 1.038 167 V CB -0.587 31.159 31.823 -0.128 0.000 0.651 167 V HN 0.457 nan 8.190 nan 0.000 0.450 168 R N -0.533 119.958 120.500 -0.015 0.000 2.120 168 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 168 R C 2.389 178.695 176.300 0.011 0.000 1.123 168 R CA 1.971 58.071 56.100 -0.001 0.000 0.975 168 R CB -0.548 29.769 30.300 0.027 0.000 0.866 168 R HN 0.549 nan 8.270 nan 0.000 0.446 169 M N 0.690 120.310 119.600 0.033 0.000 2.229 169 M HA -0.034 4.446 4.480 -0.000 0.000 0.264 169 M C 1.867 178.176 176.300 0.015 0.000 1.063 169 M CA 1.417 56.747 55.300 0.049 0.000 1.114 169 M CB 0.016 32.683 32.600 0.111 0.000 1.387 169 M HN 0.203 nan 8.290 nan 0.000 0.420 170 A N -0.148 122.659 122.820 -0.022 0.000 2.255 170 A HA 0.238 4.557 4.320 -0.000 0.000 0.206 170 A C 1.503 179.057 177.584 -0.050 0.000 1.193 170 A CA 0.807 52.809 52.037 -0.059 0.000 0.794 170 A CB -1.335 17.605 19.000 -0.100 0.000 0.794 170 A HN 0.780 nan 8.150 nan 0.000 0.481 171 G N -2.165 106.616 108.800 -0.032 0.000 2.153 171 G HA2 0.036 3.995 3.960 -0.000 0.000 0.252 171 G HA3 0.036 3.995 3.960 -0.000 0.000 0.252 171 G C 0.397 175.268 174.900 -0.048 0.000 0.994 171 G CA 0.586 45.667 45.100 -0.031 0.000 0.698 171 G HN 1.611 nan 8.290 nan 0.000 0.521 172 A N -0.962 121.820 122.820 -0.065 0.000 2.269 172 A HA 0.866 5.186 4.320 -0.000 0.000 0.319 172 A C 0.567 178.093 177.584 -0.096 0.000 1.110 172 A CA 0.163 52.149 52.037 -0.085 0.000 0.847 172 A CB 1.620 20.556 19.000 -0.108 0.000 1.161 172 A HN 1.798 nan 8.150 nan 0.000 0.497 173 V N 0.977 120.821 119.914 -0.117 0.000 2.364 173 V HA 0.565 4.685 4.120 -0.000 0.000 0.272 173 V C -2.574 173.382 176.094 -0.229 0.000 1.036 173 V CA -2.153 60.062 62.300 -0.140 0.000 0.880 173 V CB 0.958 32.716 31.823 -0.109 0.000 0.991 173 V HN 0.700 nan 8.190 nan 0.000 0.460 174 P HA 0.279 nan 4.420 nan 0.000 0.276 174 P C -0.751 176.115 177.300 -0.723 0.000 1.230 174 P CA -0.037 62.752 63.100 -0.518 0.000 0.776 174 P CB 1.448 32.819 31.700 -0.548 0.000 0.888 175 V N 4.934 124.431 119.914 -0.696 0.000 2.378 175 V HA 0.323 4.443 4.120 -0.000 0.000 0.288 175 V C -0.132 175.630 176.094 -0.554 0.000 1.016 175 V CA -0.415 61.552 62.300 -0.556 0.000 0.840 175 V CB 0.486 32.111 31.823 -0.330 0.000 0.994 175 V HN 0.315 nan 8.190 nan 0.000 0.431 176 F N 5.191 125.129 119.950 -0.019 0.000 2.385 176 F HA 0.652 5.179 4.527 -0.000 0.000 0.336 176 F C 0.174 176.010 175.800 0.060 0.000 1.100 176 F CA -0.807 57.215 58.000 0.038 0.000 1.116 176 F CB 1.232 40.300 39.000 0.114 0.000 1.166 176 F HN 0.306 nan 8.300 nan 0.000 0.511 177 I N 5.152 125.896 120.570 0.289 0.000 2.607 177 I HA 0.457 4.627 4.170 -0.000 0.000 0.290 177 I C -2.779 173.510 176.117 0.288 0.000 1.129 177 I CA -2.479 58.961 61.300 0.234 0.000 1.042 177 I CB 2.730 40.818 38.000 0.146 0.000 1.242 177 I HN 0.291 nan 8.210 nan 0.000 0.421 178 P HA 0.240 nan 4.420 nan 0.000 0.284 178 P C -1.042 176.494 177.300 0.394 0.000 1.258 178 P CA -0.611 62.717 63.100 0.380 0.000 0.824 178 P CB 1.378 33.342 31.700 0.439 0.000 1.038 179 L N 3.313 124.800 121.223 0.440 0.000 2.456 179 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 179 L C 1.203 178.448 176.870 0.624 0.000 1.189 179 L CA 0.656 55.792 54.840 0.493 0.000 0.846 179 L CB -0.595 41.707 42.059 0.405 0.000 1.111 179 L HN 0.426 nan 8.230 nan 0.000 0.475 180 R N 1.110 121.858 120.500 0.414 0.000 2.574 180 R HA 0.525 4.865 4.340 -0.000 0.000 0.288 180 R C -0.641 175.588 176.300 -0.117 0.000 1.004 180 R CA -0.668 55.525 56.100 0.155 0.000 0.895 180 R CB 1.445 31.797 30.300 0.087 0.000 1.191 180 R HN 0.646 nan 8.270 nan 0.000 0.444 181 S N 2.040 117.426 115.700 -0.524 0.000 2.565 181 S HA 0.314 4.784 4.470 -0.000 0.000 0.276 181 S C -0.060 174.339 174.600 -0.335 0.000 1.326 181 S CA -0.786 56.988 58.200 -0.711 0.000 1.045 181 S CB 1.147 63.649 63.200 -1.163 0.000 0.918 181 S HN 0.485 nan 8.310 nan 0.000 0.505 182 K N 1.355 121.619 120.400 -0.226 0.000 2.132 182 K HA 0.492 4.811 4.320 -0.000 0.000 0.241 182 K C -2.654 173.858 176.600 -0.147 0.000 1.000 182 K CA -2.155 54.047 56.287 -0.143 0.000 0.911 182 K CB -0.149 32.301 32.500 -0.084 0.000 1.093 182 K HN 0.384 nan 8.250 nan 0.000 0.460 183 P HA -0.066 nan 4.420 nan 0.000 0.264 183 P C -0.274 176.972 177.300 -0.089 0.000 1.179 183 P CA 0.307 63.332 63.100 -0.126 0.000 0.763 183 P CB 0.357 32.000 31.700 -0.096 0.000 0.806 184 T N 1.197 115.685 114.554 -0.111 0.000 2.667 184 T HA -0.016 4.334 4.350 -0.000 0.000 0.305 184 T C 1.327 176.017 174.700 -0.017 0.000 1.022 184 T CA 0.229 62.301 62.100 -0.048 0.000 0.995 184 T CB 0.065 68.868 68.868 -0.109 0.000 1.026 184 T HN 0.549 nan 8.240 nan 0.000 0.527 185 D N -1.068 119.342 120.400 0.017 0.000 2.234 185 D HA 0.123 4.763 4.640 -0.000 0.000 0.205 185 D C 1.374 177.669 176.300 -0.007 0.000 0.962 185 D CA 1.332 55.339 54.000 0.010 0.000 0.855 185 D CB -0.264 40.554 40.800 0.030 0.000 0.951 185 D HN 0.781 nan 8.370 nan 0.000 0.500 186 G N -0.342 108.450 108.800 -0.014 0.000 2.909 186 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.198 186 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.198 186 G C 1.011 175.902 174.900 -0.015 0.000 1.124 186 G CA 0.276 45.361 45.100 -0.025 0.000 0.796 186 G HN 0.211 nan 8.290 nan 0.000 0.489 187 M N 1.195 120.797 119.600 0.004 0.000 2.074 187 M HA 0.338 4.818 4.480 -0.000 0.000 0.258 187 M C 0.973 177.290 176.300 0.028 0.000 1.083 187 M CA 2.089 57.395 55.300 0.010 0.000 1.128 187 M CB -0.132 32.477 32.600 0.014 0.000 1.301 187 M HN 0.398 nan 8.290 nan 0.000 0.417 188 K N -2.080 118.356 120.400 0.060 0.000 2.400 188 K HA 0.334 4.654 4.320 -0.000 0.000 0.246 188 K C -1.476 175.252 176.600 0.213 0.000 0.995 188 K CA -0.609 55.744 56.287 0.110 0.000 0.840 188 K CB 0.336 32.888 32.500 0.088 0.000 1.293 188 K HN 0.054 nan 8.250 nan 0.000 0.445 189 W N 3.137 124.447 121.300 0.017 0.000 2.335 189 W HA 0.404 5.064 4.660 0.000 0.000 0.306 189 W C -0.536 176.033 176.519 0.084 0.000 1.216 189 W CA -0.362 57.013 57.345 0.050 0.000 1.237 189 W CB 0.631 30.129 29.460 0.062 0.000 1.243 189 W HN 0.787 nan 8.180 nan 0.000 0.493 190 T N 1.141 115.882 114.554 0.312 0.000 2.930 190 T HA 0.313 4.663 4.350 -0.000 0.000 0.290 190 T C 0.959 175.722 174.700 0.104 0.000 1.052 190 T CA -0.458 61.716 62.100 0.123 0.000 1.017 190 T CB 1.742 70.691 68.868 0.135 0.000 1.137 190 T HN 0.223 nan 8.240 nan 0.000 0.511 191 S N 0.725 116.435 115.700 0.018 0.000 2.392 191 S HA -0.136 4.334 4.470 -0.000 0.000 0.232 191 S C 2.133 176.797 174.600 0.106 0.000 1.041 191 S CA 1.986 60.185 58.200 -0.002 0.000 1.026 191 S CB -0.809 62.343 63.200 -0.079 0.000 0.845 191 S HN 0.773 nan 8.310 nan 0.000 0.465 192 S N 1.012 116.780 115.700 0.114 0.000 2.474 192 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 192 S C 1.068 175.760 174.600 0.153 0.000 0.997 192 S CA 0.555 58.836 58.200 0.134 0.000 0.949 192 S CB -0.204 63.112 63.200 0.193 0.000 0.766 192 S HN 0.471 nan 8.310 nan 0.000 0.517 193 D N -0.181 120.356 120.400 0.228 0.000 2.363 193 D HA 0.034 4.674 4.640 -0.000 0.000 0.226 193 D C -0.454 175.907 176.300 0.101 0.000 1.020 193 D CA 0.414 54.524 54.000 0.184 0.000 0.892 193 D CB 0.143 41.124 40.800 0.302 0.000 0.900 193 D HN 0.407 nan 8.370 nan 0.000 0.531 194 W N 0.082 121.395 121.300 0.023 0.000 2.606 194 W HA 0.451 5.111 4.660 0.000 0.000 0.332 194 W C 0.622 177.102 176.519 -0.064 0.000 1.052 194 W CA -0.433 56.916 57.345 0.008 0.000 1.223 194 W CB 1.717 31.166 29.460 -0.019 0.000 1.383 194 W HN -0.445 nan 8.180 nan 0.000 0.524 195 T N 1.954 116.610 114.554 0.168 0.000 2.711 195 T HA 0.664 5.014 4.350 -0.000 0.000 0.302 195 T C -1.696 173.071 174.700 0.111 0.000 1.373 195 T CA -0.674 61.428 62.100 0.004 0.000 1.000 195 T CB 0.387 69.168 68.868 -0.145 0.000 1.483 195 T HN 0.192 nan 8.240 nan 0.000 0.499 196 F N 0.586 120.582 119.950 0.077 0.000 2.556 196 F HA 0.782 5.309 4.527 0.000 0.000 0.327 196 F C -0.261 175.593 175.800 0.090 0.000 1.059 196 F CA -1.249 56.821 58.000 0.116 0.000 0.953 196 F CB 0.735 39.831 39.000 0.159 0.000 1.227 196 F HN 0.343 nan 8.300 nan 0.000 0.478 197 D N 2.574 123.115 120.400 0.236 0.000 2.316 197 D HA 0.319 4.958 4.640 -0.000 0.000 0.245 197 D C -1.911 174.543 176.300 0.257 0.000 1.171 197 D CA -2.551 51.532 54.000 0.139 0.000 0.856 197 D CB 1.703 42.578 40.800 0.126 0.000 1.090 197 D HN 0.208 nan 8.370 nan 0.000 0.476 198 P HA -0.119 nan 4.420 nan 0.000 0.216 198 P C 1.155 178.568 177.300 0.190 0.000 1.153 198 P CA 1.259 64.501 63.100 0.237 0.000 0.858 198 P CB 0.303 32.069 31.700 0.109 0.000 0.789 199 R N -0.351 120.227 120.500 0.129 0.000 2.075 199 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 199 R C 2.399 178.773 176.300 0.122 0.000 1.126 199 R CA 1.138 57.301 56.100 0.105 0.000 0.963 199 R CB -0.730 29.613 30.300 0.072 0.000 0.858 199 R HN 0.296 nan 8.270 nan 0.000 0.435 200 E N 0.917 121.199 120.200 0.136 0.000 2.085 200 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 200 E C 1.901 178.602 176.600 0.168 0.000 0.994 200 E CA 0.976 57.460 56.400 0.140 0.000 0.801 200 E CB 0.031 29.819 29.700 0.147 0.000 0.743 200 E HN 0.082 nan 8.360 nan 0.000 0.453 201 L N 1.611 122.968 121.223 0.224 0.000 2.012 201 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 201 L C 2.270 179.315 176.870 0.292 0.000 1.073 201 L CA 2.285 57.273 54.840 0.248 0.000 0.748 201 L CB -0.595 41.636 42.059 0.287 0.000 0.891 201 L HN 0.180 nan 8.230 nan 0.000 0.431 202 E N -0.899 119.427 120.200 0.209 0.000 2.058 202 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 202 E C 2.214 178.933 176.600 0.198 0.000 0.997 202 E CA 1.540 58.039 56.400 0.165 0.000 0.801 202 E CB -0.259 29.499 29.700 0.097 0.000 0.746 202 E HN 0.639 nan 8.360 nan 0.000 0.450 203 S N -0.218 115.572 115.700 0.150 0.000 2.465 203 S HA -0.131 4.339 4.470 -0.000 0.000 0.241 203 S C 1.579 176.236 174.600 0.095 0.000 1.000 203 S CA 0.788 59.056 58.200 0.112 0.000 0.964 203 S CB -0.177 63.077 63.200 0.090 0.000 0.763 203 S HN 0.138 nan 8.310 nan 0.000 0.512 204 K N 0.296 120.762 120.400 0.111 0.000 2.186 204 K HA 0.223 4.543 4.320 -0.000 0.000 0.202 204 K C -0.034 176.506 176.600 -0.099 0.000 1.052 204 K CA 0.109 56.388 56.287 -0.014 0.000 0.965 204 K CB -0.447 31.991 32.500 -0.103 0.000 0.746 204 K HN 0.463 nan 8.250 nan 0.000 0.457 205 F N 1.962 121.795 119.950 -0.195 0.000 2.495 205 F HA 0.022 4.549 4.527 0.000 0.000 0.365 205 F C 1.225 176.862 175.800 -0.271 0.000 1.090 205 F CA -0.082 57.696 58.000 -0.369 0.000 1.235 205 F CB 0.696 39.230 39.000 -0.776 0.000 1.119 205 F HN -0.092 nan 8.300 nan 0.000 0.562 206 S N 0.024 115.704 115.700 -0.034 0.000 2.697 206 S HA 0.344 4.814 4.470 -0.000 0.000 0.289 206 S C 0.805 175.480 174.600 0.125 0.000 1.149 206 S CA -0.143 58.100 58.200 0.071 0.000 0.850 206 S CB 1.181 64.395 63.200 0.024 0.000 1.151 206 S HN 0.623 nan 8.310 nan 0.000 0.491 207 S N 0.670 116.453 115.700 0.139 0.000 2.420 207 S HA -0.153 4.317 4.470 -0.000 0.000 0.237 207 S C 1.378 176.011 174.600 0.055 0.000 1.023 207 S CA 0.956 59.224 58.200 0.112 0.000 0.991 207 S CB -0.598 62.645 63.200 0.072 0.000 0.792 207 S HN 0.626 nan 8.310 nan 0.000 0.488 208 K N 1.350 121.761 120.400 0.017 0.000 2.366 208 K HA 0.109 4.429 4.320 -0.000 0.000 0.198 208 K C 0.277 176.844 176.600 -0.055 0.000 1.044 208 K CA 0.386 56.660 56.287 -0.022 0.000 0.973 208 K CB -0.715 31.762 32.500 -0.039 0.000 0.767 208 K HN 0.457 nan 8.250 nan 0.000 0.475 209 T N 2.023 116.538 114.554 -0.066 0.000 2.853 209 T HA 0.009 4.359 4.350 -0.000 0.000 0.298 209 T C 1.203 175.859 174.700 -0.074 0.000 0.978 209 T CA 0.270 62.290 62.100 -0.133 0.000 1.152 209 T CB 1.241 69.989 68.868 -0.200 0.000 0.914 209 T HN -0.005 nan 8.240 nan 0.000 0.539 210 K N 2.057 122.393 120.400 -0.108 0.000 2.287 210 K HA 0.505 4.825 4.320 -0.000 0.000 0.199 210 K C 0.320 176.869 176.600 -0.086 0.000 1.061 210 K CA 0.413 56.653 56.287 -0.078 0.000 0.976 210 K CB 0.481 32.924 32.500 -0.094 0.000 0.898 210 K HN 0.721 nan 8.250 nan 0.000 0.492 211 A N -0.010 122.724 122.820 -0.143 0.000 2.610 211 A HA 0.579 4.899 4.320 -0.000 0.000 0.291 211 A C -1.704 175.743 177.584 -0.229 0.000 1.086 211 A CA -0.705 51.243 52.037 -0.150 0.000 0.677 211 A CB 0.822 19.726 19.000 -0.159 0.000 1.278 211 A HN 0.135 nan 8.150 nan 0.000 0.414 212 I N 1.012 121.463 120.570 -0.198 0.000 2.509 212 I HA 0.571 4.741 4.170 -0.000 0.000 0.293 212 I C -1.415 174.564 176.117 -0.229 0.000 1.020 212 I CA -1.157 60.002 61.300 -0.235 0.000 1.088 212 I CB 1.391 39.288 38.000 -0.172 0.000 1.267 212 I HN 0.600 nan 8.210 nan 0.000 0.430 213 I N 7.761 128.168 120.570 -0.271 0.000 2.321 213 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 213 I C -0.796 175.162 176.117 -0.264 0.000 0.998 213 I CA -0.651 60.443 61.300 -0.343 0.000 1.227 213 I CB 1.655 39.312 38.000 -0.572 0.000 1.368 213 I HN 0.361 nan 8.210 nan 0.000 0.466 214 L N 7.471 128.544 121.223 -0.250 0.000 2.349 214 L HA 0.483 4.823 4.340 -0.000 0.000 0.278 214 L C -0.845 175.920 176.870 -0.175 0.000 0.996 214 L CA -0.015 54.689 54.840 -0.227 0.000 0.825 214 L CB 1.437 43.316 42.059 -0.299 0.000 1.243 214 L HN 0.585 nan 8.230 nan 0.000 0.412 215 N N 3.204 121.877 118.700 -0.047 0.000 2.558 215 N HA 0.392 5.132 4.740 -0.000 0.000 0.242 215 N C -1.365 174.200 175.510 0.090 0.000 0.979 215 N CA -0.124 52.951 53.050 0.041 0.000 0.931 215 N CB 0.853 39.428 38.487 0.147 0.000 1.122 215 N HN 0.750 nan 8.380 nan 0.000 0.508 216 T N 3.396 117.975 114.554 0.041 0.000 2.991 216 T HA 0.376 4.726 4.350 -0.000 0.000 0.303 216 T C -2.845 171.987 174.700 0.219 0.000 1.015 216 T CA -1.404 60.801 62.100 0.174 0.000 1.007 216 T CB 1.445 70.375 68.868 0.105 0.000 1.034 216 T HN 0.274 nan 8.240 nan 0.000 0.446 217 P HA 0.019 nan 4.420 nan 0.000 0.263 217 P C -0.716 176.739 177.300 0.259 0.000 1.175 217 P CA 0.085 63.308 63.100 0.206 0.000 0.761 217 P CB 0.159 31.913 31.700 0.088 0.000 0.794 218 H N 3.584 122.747 119.070 0.154 0.000 2.548 218 H HA 0.214 4.770 4.556 0.000 0.000 0.331 218 H C -0.354 174.990 175.328 0.028 0.000 1.093 218 H CA -0.214 55.917 56.048 0.138 0.000 1.367 218 H CB 0.629 30.494 29.762 0.172 0.000 1.455 218 H HN 0.249 nan 8.280 nan 0.000 0.519 219 N N 5.942 124.435 118.700 -0.346 0.000 2.424 219 N HA 0.176 4.916 4.740 -0.000 0.000 0.271 219 N C -2.166 172.918 175.510 -0.709 0.000 0.985 219 N CA -2.329 50.507 53.050 -0.357 0.000 0.921 219 N CB 1.762 40.199 38.487 -0.082 0.000 1.149 219 N HN 0.366 nan 8.380 nan 0.000 0.492 220 P HA 0.066 nan 4.420 nan 0.000 0.245 220 P C 1.311 178.485 177.300 -0.211 0.000 1.203 220 P CA -0.029 62.715 63.100 -0.593 0.000 0.792 220 P CB 0.701 31.873 31.700 -0.880 0.000 0.997 221 L N 0.316 121.561 121.223 0.037 0.000 2.046 221 L HA 0.094 4.434 4.340 -0.000 0.000 0.208 221 L C 1.950 178.759 176.870 -0.102 0.000 1.077 221 L CA 2.467 57.207 54.840 -0.166 0.000 0.747 221 L CB -1.586 40.232 42.059 -0.402 0.000 0.896 221 L HN 0.276 nan 8.230 nan 0.000 0.432 222 G N -1.332 107.480 108.800 0.021 0.000 2.157 222 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.239 222 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.239 222 G C 0.598 175.496 174.900 -0.003 0.000 0.982 222 G CA 0.279 45.384 45.100 0.008 0.000 0.650 222 G HN 0.338 nan 8.290 nan 0.000 0.527 223 K N 0.993 121.404 120.400 0.018 0.000 2.349 223 K HA 0.480 4.800 4.320 -0.000 0.000 0.288 223 K C 0.239 176.903 176.600 0.106 0.000 1.058 223 K CA -0.432 55.840 56.287 -0.025 0.000 0.953 223 K CB 0.709 33.110 32.500 -0.165 0.000 0.997 223 K HN 0.014 nan 8.250 nan 0.000 0.477 224 V N 6.711 126.650 119.914 0.043 0.000 2.368 224 V HA 0.116 4.236 4.120 -0.000 0.000 0.266 224 V C -0.287 175.930 176.094 0.205 0.000 1.045 224 V CA -0.583 61.805 62.300 0.148 0.000 0.899 224 V CB -0.254 31.607 31.823 0.064 0.000 1.006 224 V HN 0.647 nan 8.190 nan 0.000 0.470 225 Y N 3.047 123.406 120.300 0.098 0.000 2.457 225 Y HA 0.269 4.819 4.550 -0.000 0.000 0.341 225 Y C 1.447 177.400 175.900 0.088 0.000 1.240 225 Y CA 0.052 58.221 58.100 0.115 0.000 1.437 225 Y CB 0.877 39.417 38.460 0.133 0.000 1.328 225 Y HN 0.703 nan 8.280 nan 0.000 0.588 226 T N -0.841 113.848 114.554 0.226 0.000 2.943 226 T HA 0.302 4.652 4.350 -0.000 0.000 0.284 226 T C 1.018 175.793 174.700 0.125 0.000 1.015 226 T CA -1.011 61.170 62.100 0.135 0.000 1.042 226 T CB 1.731 70.647 68.868 0.080 0.000 1.055 226 T HN 0.755 nan 8.240 nan 0.000 0.500 227 R N 0.404 120.947 120.500 0.073 0.000 2.119 227 R HA -0.230 4.110 4.340 -0.000 0.000 0.246 227 R C 2.208 178.550 176.300 0.070 0.000 1.146 227 R CA 2.150 58.282 56.100 0.054 0.000 0.962 227 R CB -0.398 29.919 30.300 0.028 0.000 0.863 227 R HN 0.725 nan 8.270 nan 0.000 0.442 228 Q N 0.175 120.010 119.800 0.059 0.000 2.084 228 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 228 Q C 1.895 177.950 176.000 0.092 0.000 0.978 228 Q CA 2.029 57.863 55.803 0.051 0.000 0.844 228 Q CB -0.067 28.679 28.738 0.013 0.000 0.898 228 Q HN 0.492 nan 8.270 nan 0.000 0.426 229 E N 0.150 120.427 120.200 0.128 0.000 2.047 229 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 229 E C 1.856 178.711 176.600 0.424 0.000 0.987 229 E CA 1.013 57.581 56.400 0.281 0.000 0.799 229 E CB -0.183 29.719 29.700 0.336 0.000 0.752 229 E HN 0.291 nan 8.360 nan 0.000 0.449 230 L N 0.805 122.204 121.223 0.295 0.000 2.265 230 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 230 L C 2.516 179.466 176.870 0.133 0.000 1.117 230 L CA 0.701 55.653 54.840 0.188 0.000 0.782 230 L CB -0.289 41.822 42.059 0.086 0.000 0.914 230 L HN 0.114 nan 8.230 nan 0.000 0.441 231 Q N 0.117 119.992 119.800 0.125 0.000 2.311 231 Q HA -0.072 4.268 4.340 -0.000 0.000 0.203 231 Q C 2.001 178.058 176.000 0.095 0.000 0.954 231 Q CA 1.109 56.963 55.803 0.084 0.000 0.885 231 Q CB 0.060 28.834 28.738 0.060 0.000 0.963 231 Q HN 0.297 nan 8.270 nan 0.000 0.471 232 V N 0.100 120.110 119.914 0.159 0.000 2.346 232 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 232 V C 2.097 178.270 176.094 0.132 0.000 1.037 232 V CA 1.505 63.906 62.300 0.168 0.000 1.029 232 V CB -0.417 31.578 31.823 0.288 0.000 0.663 232 V HN 0.369 nan 8.190 nan 0.000 0.454 233 I N 0.599 121.272 120.570 0.170 0.000 2.264 233 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 233 I C 2.580 178.714 176.117 0.028 0.000 1.111 233 I CA 1.573 62.920 61.300 0.078 0.000 1.382 233 I CB -0.501 37.527 38.000 0.047 0.000 1.060 233 I HN 0.299 nan 8.210 nan 0.000 0.418 234 A N 0.426 123.267 122.820 0.035 0.000 1.854 234 A HA -0.203 4.117 4.320 -0.000 0.000 0.214 234 A C 1.916 179.495 177.584 -0.008 0.000 1.192 234 A CA 1.738 53.785 52.037 0.017 0.000 0.611 234 A CB -0.671 18.345 19.000 0.027 0.000 0.832 234 A HN 0.305 nan 8.150 nan 0.000 0.442 235 D N 0.256 120.651 120.400 -0.008 0.000 2.569 235 D HA -0.255 4.385 4.640 -0.000 0.000 0.191 235 D C 1.746 177.990 176.300 -0.093 0.000 1.042 235 D CA 2.058 56.037 54.000 -0.035 0.000 0.873 235 D CB -0.611 40.176 40.800 -0.021 0.000 0.946 235 D HN 0.473 nan 8.370 nan 0.000 0.467 236 L N -0.358 120.747 121.223 -0.195 0.000 2.109 236 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 236 L C 1.923 178.607 176.870 -0.309 0.000 1.086 236 L CA 0.707 55.282 54.840 -0.442 0.000 0.760 236 L CB -0.066 41.305 42.059 -1.147 0.000 0.910 236 L HN 0.096 nan 8.230 nan 0.000 0.437 237 C N -0.855 118.374 119.300 -0.118 0.000 2.396 237 C HA 0.171 4.631 4.460 -0.000 0.000 0.334 237 C C 2.006 177.019 174.990 0.038 0.000 1.313 237 C CA -0.095 58.960 59.018 0.062 0.000 1.719 237 C CB -1.366 26.451 27.740 0.129 0.000 1.893 237 C HN 0.514 nan 8.230 nan 0.000 0.589 238 V N -1.181 118.737 119.914 0.006 0.000 3.090 238 V HA 0.175 4.295 4.120 -0.000 0.000 0.237 238 V C 2.257 178.344 176.094 -0.011 0.000 1.209 238 V CA 0.893 63.198 62.300 0.009 0.000 1.209 238 V CB -0.512 31.314 31.823 0.005 0.000 0.971 238 V HN 0.256 nan 8.190 nan 0.000 0.477 239 K N 0.098 120.475 120.400 -0.039 0.000 2.107 239 K HA -0.271 4.049 4.320 -0.000 0.000 0.211 239 K C 2.079 178.590 176.600 -0.149 0.000 1.049 239 K CA 2.692 58.922 56.287 -0.095 0.000 0.927 239 K CB -0.407 32.034 32.500 -0.099 0.000 0.714 239 K HN 0.747 nan 8.250 nan 0.000 0.452 240 H N -1.302 117.732 119.070 -0.060 0.000 2.652 240 H HA 0.035 4.591 4.556 -0.000 0.000 0.274 240 H C -0.310 175.038 175.328 0.033 0.000 1.021 240 H CA 0.505 56.556 56.048 0.004 0.000 1.187 240 H CB 0.586 30.389 29.762 0.068 0.000 1.505 240 H HN 0.305 nan 8.280 nan 0.000 0.530 241 D N 2.209 122.676 120.400 0.112 0.000 2.746 241 D HA -0.133 4.507 4.640 -0.000 0.000 0.241 241 D C 0.017 176.375 176.300 0.098 0.000 1.140 241 D CA 1.095 55.141 54.000 0.078 0.000 0.707 241 D CB -0.852 39.975 40.800 0.045 0.000 1.034 241 D HN 0.550 nan 8.370 nan 0.000 0.423 242 T N -2.331 112.295 114.554 0.121 0.000 2.927 242 T HA 0.788 5.138 4.350 -0.000 0.000 0.286 242 T C 0.938 175.667 174.700 0.047 0.000 1.040 242 T CA -1.097 61.059 62.100 0.093 0.000 1.010 242 T CB 1.542 70.506 68.868 0.159 0.000 1.177 242 T HN 0.147 nan 8.240 nan 0.000 0.546 243 L N -0.033 121.190 121.223 0.000 0.000 2.448 243 L HA 0.715 5.055 4.340 -0.000 0.000 0.258 243 L C 0.119 176.958 176.870 -0.052 0.000 1.104 243 L CA -1.187 53.630 54.840 -0.038 0.000 0.800 243 L CB 1.314 43.328 42.059 -0.074 0.000 1.241 243 L HN 0.916 nan 8.230 nan 0.000 0.472 244 C N 1.849 121.098 119.300 -0.085 0.000 2.522 244 C HA 0.510 4.970 4.460 -0.000 0.000 0.344 244 C C -0.302 174.601 174.990 -0.145 0.000 1.104 244 C CA -0.569 58.386 59.018 -0.104 0.000 1.317 244 C CB -0.404 27.293 27.740 -0.071 0.000 1.896 244 C HN 0.626 nan 8.230 nan 0.000 0.443 245 I N 5.566 126.027 120.570 -0.182 0.000 2.308 245 I HA 0.243 4.413 4.170 -0.000 0.000 0.293 245 I C 0.608 176.598 176.117 -0.213 0.000 1.078 245 I CA 0.592 61.769 61.300 -0.206 0.000 1.292 245 I CB 1.113 38.967 38.000 -0.243 0.000 1.423 245 I HN 0.724 nan 8.210 nan 0.000 0.493 246 S N 5.279 120.875 115.700 -0.173 0.000 2.448 246 S HA 0.176 4.646 4.470 -0.000 0.000 0.320 246 S C -0.469 174.044 174.600 -0.145 0.000 1.071 246 S CA -0.752 57.354 58.200 -0.157 0.000 1.113 246 S CB 0.533 63.661 63.200 -0.120 0.000 0.972 246 S HN 0.549 nan 8.310 nan 0.000 0.465 247 D N 4.038 124.345 120.400 -0.154 0.000 2.428 247 D HA 0.214 4.854 4.640 -0.000 0.000 0.221 247 D C 0.023 176.245 176.300 -0.129 0.000 1.123 247 D CA -0.226 53.684 54.000 -0.151 0.000 0.869 247 D CB 0.679 41.411 40.800 -0.113 0.000 1.032 247 D HN 0.697 nan 8.370 nan 0.000 0.506 248 E N 2.695 122.809 120.200 -0.143 0.000 2.869 248 E HA 0.043 4.393 4.350 -0.000 0.000 0.207 248 E C 1.685 178.123 176.600 -0.271 0.000 0.986 248 E CA -0.071 56.255 56.400 -0.124 0.000 1.131 248 E CB 0.870 30.577 29.700 0.011 0.000 1.098 248 E HN 0.419 nan 8.360 nan 0.000 0.459 249 V N -1.588 118.095 119.914 -0.384 0.000 2.828 249 V HA -0.236 3.884 4.120 -0.000 0.000 0.260 249 V C 0.945 176.692 176.094 -0.579 0.000 1.101 249 V CA 1.382 63.375 62.300 -0.512 0.000 1.123 249 V CB -0.848 30.573 31.823 -0.671 0.000 0.704 249 V HN 0.299 nan 8.190 nan 0.000 0.493 250 Y N 1.680 121.816 120.300 -0.273 0.000 2.658 250 Y HA 0.330 4.880 4.550 -0.000 0.000 0.276 250 Y C 2.062 177.708 175.900 -0.424 0.000 1.167 250 Y CA -0.481 57.434 58.100 -0.308 0.000 1.230 250 Y CB -0.730 37.544 38.460 -0.309 0.000 1.144 250 Y HN 0.499 nan 8.280 nan 0.000 0.529 251 E N -0.889 118.959 120.200 -0.587 0.000 2.169 251 E HA -0.294 4.056 4.350 -0.000 0.000 0.202 251 E C 0.804 176.864 176.600 -0.901 0.000 1.016 251 E CA 2.268 57.969 56.400 -1.165 0.000 0.817 251 E CB -0.627 28.274 29.700 -1.333 0.000 0.736 251 E HN 0.622 nan 8.360 nan 0.000 0.462 252 W N 1.286 122.431 121.300 -0.258 0.000 2.640 252 W HA 0.246 4.906 4.660 -0.000 0.000 0.268 252 W C 0.720 177.141 176.519 -0.163 0.000 1.263 252 W CA -0.439 56.795 57.345 -0.185 0.000 1.344 252 W CB 0.197 29.567 29.460 -0.149 0.000 1.093 252 W HN -0.105 nan 8.180 nan 0.000 0.603 253 L N 2.655 123.857 121.223 -0.034 0.000 2.404 253 L HA 0.255 4.595 4.340 -0.000 0.000 0.277 253 L C 0.007 176.630 176.870 -0.411 0.000 1.184 253 L CA -0.324 54.395 54.840 -0.202 0.000 1.013 253 L CB -0.773 41.160 42.059 -0.210 0.000 1.318 253 L HN -0.248 nan 8.230 nan 0.000 0.435 254 V N 0.948 120.635 119.914 -0.379 0.000 2.709 254 V HA 0.550 4.670 4.120 -0.000 0.000 0.308 254 V C -0.881 175.020 176.094 -0.321 0.000 1.062 254 V CA -0.528 61.530 62.300 -0.403 0.000 0.901 254 V CB 2.071 33.831 31.823 -0.106 0.000 1.003 254 V HN 0.358 nan 8.190 nan 0.000 0.425 255 Y N 1.923 122.281 120.300 0.097 0.000 2.518 255 Y HA 0.685 5.235 4.550 -0.000 0.000 0.332 255 Y C 1.315 177.315 175.900 0.165 0.000 1.276 255 Y CA -0.150 58.015 58.100 0.109 0.000 1.418 255 Y CB 0.595 39.102 38.460 0.080 0.000 1.527 255 Y HN 0.862 nan 8.280 nan 0.000 0.549 256 T N -0.616 114.134 114.554 0.327 0.000 2.916 256 T HA 0.398 4.748 4.350 -0.000 0.000 0.303 256 T C 1.015 175.833 174.700 0.196 0.000 1.025 256 T CA 0.617 62.840 62.100 0.205 0.000 1.142 256 T CB -0.105 68.849 68.868 0.143 0.000 0.947 256 T HN 1.207 nan 8.240 nan 0.000 0.544 257 G N 2.975 111.828 108.800 0.088 0.000 2.213 257 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.236 257 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.236 257 G C -0.066 174.674 174.900 -0.267 0.000 0.991 257 G CA 0.257 45.315 45.100 -0.071 0.000 0.629 257 G HN 1.029 nan 8.290 nan 0.000 0.517 258 H N -0.332 118.778 119.070 0.068 0.000 2.747 258 H HA 0.742 5.298 4.556 0.000 0.000 0.371 258 H C -0.622 174.737 175.328 0.052 0.000 1.161 258 H CA 0.010 56.094 56.048 0.060 0.000 1.167 258 H CB 2.230 32.033 29.762 0.067 0.000 1.732 258 H HN 0.135 nan 8.280 nan 0.000 0.544 259 T N 1.128 115.782 114.554 0.167 0.000 2.881 259 T HA 0.087 4.437 4.350 -0.000 0.000 0.290 259 T C -0.991 173.774 174.700 0.109 0.000 1.000 259 T CA -0.762 61.404 62.100 0.110 0.000 0.978 259 T CB 0.680 69.584 68.868 0.060 0.000 0.997 259 T HN 0.532 nan 8.240 nan 0.000 0.443 260 H N 2.511 121.570 119.070 -0.019 0.000 3.091 260 H HA 0.374 4.930 4.556 -0.000 0.000 0.289 260 H C -0.445 174.843 175.328 -0.067 0.000 0.995 260 H CA 0.482 56.490 56.048 -0.066 0.000 1.461 260 H CB -0.040 29.619 29.762 -0.171 0.000 1.510 260 H HN 0.241 nan 8.280 nan 0.000 0.546 261 V N 6.291 125.947 119.914 -0.429 0.000 2.581 261 V HA 0.289 4.409 4.120 -0.000 0.000 0.303 261 V C -0.058 175.725 176.094 -0.517 0.000 1.041 261 V CA -0.946 61.151 62.300 -0.338 0.000 0.907 261 V CB 1.841 33.575 31.823 -0.148 0.000 0.994 261 V HN 0.720 nan 8.190 nan 0.000 0.442 262 K N 3.175 123.365 120.400 -0.349 0.000 2.265 262 K HA 0.465 4.785 4.320 -0.000 0.000 0.267 262 K C 0.806 177.309 176.600 -0.161 0.000 0.994 262 K CA -0.464 55.649 56.287 -0.290 0.000 0.860 262 K CB 2.047 34.369 32.500 -0.297 0.000 1.099 262 K HN 0.642 nan 8.250 nan 0.000 0.448 263 I N 2.623 123.121 120.570 -0.120 0.000 2.493 263 I HA -0.232 3.938 4.170 -0.000 0.000 0.254 263 I C 1.794 177.909 176.117 -0.004 0.000 1.160 263 I CA 1.282 62.548 61.300 -0.057 0.000 1.445 263 I CB 0.164 38.127 38.000 -0.062 0.000 1.086 263 I HN 0.784 nan 8.210 nan 0.000 0.433 264 A N 0.140 122.970 122.820 0.017 0.000 2.125 264 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 264 A C 2.147 179.868 177.584 0.229 0.000 1.156 264 A CA 1.944 54.066 52.037 0.142 0.000 0.671 264 A CB -1.088 18.068 19.000 0.261 0.000 0.794 264 A HN 0.600 nan 8.150 nan 0.000 0.459 265 T N -3.082 111.524 114.554 0.087 0.000 3.113 265 T HA 0.311 4.661 4.350 -0.000 0.000 0.256 265 T C 0.422 175.168 174.700 0.077 0.000 1.131 265 T CA -0.061 62.092 62.100 0.088 0.000 1.074 265 T CB -0.344 68.501 68.868 -0.037 0.000 0.944 265 T HN 0.047 nan 8.240 nan 0.000 0.516 266 L N 2.186 123.448 121.223 0.066 0.000 2.399 266 L HA 0.476 4.816 4.340 -0.000 0.000 0.266 266 L C -2.268 174.644 176.870 0.070 0.000 1.114 266 L CA -2.393 52.478 54.840 0.051 0.000 0.804 266 L CB 0.578 42.658 42.059 0.035 0.000 1.146 266 L HN -0.064 nan 8.230 nan 0.000 0.451 267 P HA 0.170 nan 4.420 nan 0.000 0.262 267 P C 0.561 177.901 177.300 0.067 0.000 1.182 267 P CA 0.978 64.114 63.100 0.060 0.000 0.761 267 P CB 0.439 32.163 31.700 0.040 0.000 0.795 268 G N 2.771 111.624 108.800 0.087 0.000 2.199 268 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 268 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 268 G C 0.826 175.782 174.900 0.092 0.000 0.982 268 G CA 0.166 45.315 45.100 0.082 0.000 0.632 268 G HN 0.432 nan 8.290 nan 0.000 0.529 269 M N -0.640 119.027 119.600 0.112 0.000 2.516 269 M HA 0.234 4.714 4.480 -0.000 0.000 0.259 269 M C 2.054 178.422 176.300 0.113 0.000 1.146 269 M CA 0.255 55.609 55.300 0.090 0.000 1.122 269 M CB -0.965 31.677 32.600 0.070 0.000 1.341 269 M HN 0.548 nan 8.290 nan 0.000 0.478 270 W N 3.008 124.341 121.300 0.055 0.000 2.317 270 W HA -0.278 4.382 4.660 0.000 0.000 0.318 270 W C 1.111 177.660 176.519 0.050 0.000 1.227 270 W CA 2.280 59.664 57.345 0.064 0.000 1.269 270 W CB -0.259 29.241 29.460 0.066 0.000 1.155 270 W HN 0.256 nan 8.180 nan 0.000 0.484 271 E N 0.114 120.319 120.200 0.010 0.000 2.273 271 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 271 E C 1.827 178.384 176.600 -0.072 0.000 1.002 271 E CA 2.191 58.600 56.400 0.016 0.000 0.828 271 E CB -0.454 29.320 29.700 0.124 0.000 0.747 271 E HN 0.603 nan 8.360 nan 0.000 0.491 272 R N -1.407 119.015 120.500 -0.131 0.000 2.549 272 R HA 0.278 4.618 4.340 -0.000 0.000 0.399 272 R C -0.438 175.772 176.300 -0.150 0.000 0.964 272 R CA -0.199 55.843 56.100 -0.096 0.000 1.173 272 R CB 0.389 30.679 30.300 -0.016 0.000 1.535 272 R HN -0.146 nan 8.270 nan 0.000 0.551 273 T N 1.386 115.799 114.554 -0.235 0.000 2.887 273 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 273 T C -0.711 173.818 174.700 -0.284 0.000 1.021 273 T CA -0.566 61.410 62.100 -0.207 0.000 1.000 273 T CB 2.223 71.015 68.868 -0.125 0.000 1.034 273 T HN 0.008 nan 8.240 nan 0.000 0.467 274 I N 2.952 123.390 120.570 -0.219 0.000 2.389 274 I HA 0.380 4.550 4.170 -0.000 0.000 0.288 274 I C -0.064 175.963 176.117 -0.150 0.000 0.999 274 I CA -0.497 60.674 61.300 -0.216 0.000 1.129 274 I CB 1.580 39.457 38.000 -0.205 0.000 1.288 274 I HN 0.644 nan 8.210 nan 0.000 0.444 275 T N 7.301 121.793 114.554 -0.103 0.000 2.812 275 T HA 0.660 5.010 4.350 -0.000 0.000 0.282 275 T C 0.004 174.667 174.700 -0.061 0.000 0.990 275 T CA -0.371 61.703 62.100 -0.044 0.000 0.960 275 T CB 1.674 70.588 68.868 0.077 0.000 0.948 275 T HN 0.247 nan 8.240 nan 0.000 0.438 276 I N 2.251 122.752 120.570 -0.115 0.000 2.433 276 I HA 0.701 4.871 4.170 -0.000 0.000 0.292 276 I C 0.599 176.533 176.117 -0.305 0.000 1.001 276 I CA -0.716 60.459 61.300 -0.210 0.000 1.119 276 I CB 2.065 39.937 38.000 -0.214 0.000 1.289 276 I HN 0.755 nan 8.210 nan 0.000 0.438 277 G N 2.721 111.142 108.800 -0.632 0.000 2.730 277 G HA2 0.668 4.628 3.960 -0.000 0.000 0.289 277 G HA3 0.668 4.628 3.960 -0.000 0.000 0.289 277 G C -1.578 172.480 174.900 -1.403 0.000 1.341 277 G CA -0.537 44.103 45.100 -0.767 0.000 0.932 277 G HN 0.508 nan 8.290 nan 0.000 0.481 278 S N -1.447 113.613 115.700 -1.066 0.000 2.566 278 S HA 0.576 5.046 4.470 -0.000 0.000 0.273 278 S C 0.943 175.406 174.600 -0.229 0.000 1.157 278 S CA 0.561 58.286 58.200 -0.793 0.000 0.938 278 S CB 1.483 64.431 63.200 -0.420 0.000 1.087 278 S HN 1.580 nan 8.310 nan 0.000 0.474 279 A N 4.398 127.241 122.820 0.038 0.000 1.858 279 A HA 0.332 4.652 4.320 -0.000 0.000 0.216 279 A C 1.547 179.272 177.584 0.236 0.000 1.190 279 A CA 1.415 53.732 52.037 0.467 0.000 0.617 279 A CB -1.636 17.687 19.000 0.538 0.000 0.827 279 A HN 1.379 nan 8.150 nan 0.000 0.443 283 F N 2.138 122.149 119.950 0.102 0.000 2.817 283 F HA 0.498 5.025 4.527 -0.000 0.000 0.319 283 F C 0.668 176.366 175.800 -0.169 0.000 1.136 283 F CA -0.451 57.507 58.000 -0.070 0.000 1.177 283 F CB 0.654 39.446 39.000 -0.346 0.000 1.088 283 F HN -0.030 nan 8.300 nan 0.000 0.520 284 S N 0.681 116.442 115.700 0.102 0.000 3.711 284 S HA -0.144 4.326 4.470 -0.000 0.000 0.374 284 S C -0.084 174.421 174.600 -0.160 0.000 0.969 284 S CA 0.576 58.783 58.200 0.011 0.000 1.198 284 S CB -1.360 61.881 63.200 0.068 0.000 0.903 284 S HN 0.183 nan 8.310 nan 0.000 0.493 285 V N 1.529 121.324 119.914 -0.198 0.000 2.939 285 V HA 0.161 4.281 4.120 -0.000 0.000 0.320 285 V C 1.291 177.283 176.094 -0.170 0.000 1.101 285 V CA 0.244 62.307 62.300 -0.395 0.000 1.345 285 V CB 0.794 32.045 31.823 -0.953 0.000 1.079 285 V HN 0.806 nan 8.190 nan 0.000 0.549 286 T N -2.186 112.327 114.554 -0.070 0.000 3.007 286 T HA -0.037 4.313 4.350 -0.000 0.000 0.270 286 T C 1.787 176.542 174.700 0.092 0.000 1.107 286 T CA 1.349 63.462 62.100 0.021 0.000 1.118 286 T CB 0.071 68.948 68.868 0.015 0.000 0.889 286 T HN 0.598 nan 8.240 nan 0.000 0.506 287 G N -0.534 108.350 108.800 0.140 0.000 2.712 287 G HA2 0.078 4.038 3.960 -0.000 0.000 0.212 287 G HA3 0.078 4.038 3.960 -0.000 0.000 0.212 287 G C 0.967 176.086 174.900 0.365 0.000 1.142 287 G CA -0.200 45.032 45.100 0.221 0.000 0.789 287 G HN 0.488 nan 8.290 nan 0.000 0.535 288 W N 0.377 121.679 121.300 0.004 0.000 2.402 288 W HA 0.207 4.867 4.660 0.000 0.000 0.286 288 W C 0.936 177.467 176.519 0.021 0.000 1.221 288 W CA 0.022 57.376 57.345 0.015 0.000 1.257 288 W CB 0.115 29.599 29.460 0.039 0.000 1.120 288 W HN -0.013 nan 8.180 nan 0.000 0.551 289 K N 0.260 120.821 120.400 0.268 0.000 3.451 289 K HA -0.199 4.121 4.320 -0.000 0.000 0.273 289 K C -0.774 175.906 176.600 0.134 0.000 0.944 289 K CA 0.796 57.163 56.287 0.133 0.000 0.734 289 K CB -2.054 30.471 32.500 0.041 0.000 1.437 289 K HN 0.251 nan 8.250 nan 0.000 0.454 290 L N -0.165 121.186 121.223 0.213 0.000 2.362 290 L HA 0.705 5.045 4.340 -0.000 0.000 0.275 290 L C 0.995 177.966 176.870 0.168 0.000 0.998 290 L CA -0.593 54.393 54.840 0.243 0.000 0.820 290 L CB 2.281 44.574 42.059 0.389 0.000 1.270 290 L HN 0.319 nan 8.230 nan 0.000 0.415 291 G N 1.141 109.999 108.800 0.098 0.000 2.866 291 G HA2 0.726 4.686 3.960 -0.000 0.000 0.289 291 G HA3 0.726 4.686 3.960 -0.000 0.000 0.289 291 G C -2.460 172.462 174.900 0.037 0.000 1.396 291 G CA -0.567 44.380 45.100 -0.256 0.000 0.848 291 G HN 0.633 nan 8.290 nan 0.000 0.515 292 W N -0.796 120.530 121.300 0.042 0.000 3.138 292 W HA 0.753 5.413 4.660 -0.000 0.000 0.331 292 W C -0.450 176.020 176.519 -0.082 0.000 1.166 292 W CA -1.141 56.191 57.345 -0.022 0.000 1.212 292 W CB 1.349 30.765 29.460 -0.073 0.000 1.399 292 W HN 0.468 nan 8.180 nan 0.000 0.514 293 S N 2.594 118.330 115.700 0.059 0.000 2.541 293 S HA 0.726 5.196 4.470 -0.000 0.000 0.283 293 S C -0.546 174.032 174.600 -0.036 0.000 1.196 293 S CA -0.620 57.561 58.200 -0.032 0.000 1.062 293 S CB 0.535 63.689 63.200 -0.078 0.000 1.009 293 S HN 0.430 nan 8.310 nan 0.000 0.502 294 I N 2.042 122.559 120.570 -0.088 0.000 2.586 294 I HA 0.642 4.812 4.170 -0.000 0.000 0.288 294 I C 0.237 176.231 176.117 -0.207 0.000 1.147 294 I CA -0.271 60.960 61.300 -0.115 0.000 1.047 294 I CB 2.017 39.954 38.000 -0.104 0.000 1.244 294 I HN 0.839 nan 8.210 nan 0.000 0.429 295 G N 6.306 114.901 108.800 -0.342 0.000 2.340 295 G HA2 0.447 4.407 3.960 -0.000 0.000 0.299 295 G HA3 0.447 4.407 3.960 -0.000 0.000 0.299 295 G C -3.417 171.046 174.900 -0.728 0.000 1.291 295 G CA -0.629 44.003 45.100 -0.780 0.000 0.841 295 G HN 0.233 nan 8.290 nan 0.000 0.500 296 P HA 0.392 nan 4.420 nan 0.000 0.272 296 P C 0.866 177.959 177.300 -0.346 0.000 1.230 296 P CA 0.630 63.465 63.100 -0.443 0.000 0.788 296 P CB 1.257 32.645 31.700 -0.520 0.000 0.949 297 A N 2.276 125.037 122.820 -0.098 0.000 1.902 297 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 297 A C 2.015 179.478 177.584 -0.203 0.000 1.181 297 A CA 1.649 53.622 52.037 -0.107 0.000 0.623 297 A CB -1.872 17.131 19.000 0.005 0.000 0.818 297 A HN 0.791 nan 8.150 nan 0.000 0.443 298 H N -0.107 118.856 119.070 -0.179 0.000 2.421 298 H HA -0.035 4.521 4.556 -0.000 0.000 0.298 298 H C 1.722 176.772 175.328 -0.464 0.000 1.087 298 H CA 1.591 57.481 56.048 -0.264 0.000 1.330 298 H CB -0.711 28.960 29.762 -0.151 0.000 1.388 298 H HN 0.472 nan 8.280 nan 0.000 0.526 299 L N 0.299 120.968 121.223 -0.924 0.000 2.127 299 L HA -0.020 4.320 4.340 -0.000 0.000 0.203 299 L C 2.782 179.366 176.870 -0.476 0.000 1.080 299 L CA 0.256 54.721 54.840 -0.626 0.000 0.768 299 L CB -0.217 41.536 42.059 -0.510 0.000 0.924 299 L HN 0.098 nan 8.230 nan 0.000 0.444 300 I N 0.534 120.848 120.570 -0.426 0.000 2.454 300 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 300 I C 2.446 178.368 176.117 -0.324 0.000 1.156 300 I CA 1.325 62.429 61.300 -0.327 0.000 1.433 300 I CB -0.778 37.053 38.000 -0.282 0.000 1.082 300 I HN 0.357 nan 8.210 nan 0.000 0.432 301 K N 0.218 120.409 120.400 -0.348 0.000 2.015 301 K HA -0.249 4.071 4.320 -0.000 0.000 0.216 301 K C 2.129 178.631 176.600 -0.164 0.000 1.052 301 K CA 1.801 57.923 56.287 -0.275 0.000 0.937 301 K CB -0.208 32.078 32.500 -0.357 0.000 0.719 301 K HN 0.386 nan 8.250 nan 0.000 0.446 302 H N 0.154 119.136 119.070 -0.146 0.000 2.357 302 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 302 H C 2.161 177.398 175.328 -0.153 0.000 1.082 302 H CA 1.002 56.973 56.048 -0.128 0.000 1.342 302 H CB -0.391 29.299 29.762 -0.120 0.000 1.389 302 H HN 0.061 nan 8.280 nan 0.000 0.511 303 L N 1.055 122.227 121.223 -0.085 0.000 2.042 303 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 303 L C 2.667 179.439 176.870 -0.164 0.000 1.076 303 L CA 1.449 56.213 54.840 -0.127 0.000 0.749 303 L CB -0.751 41.215 42.059 -0.154 0.000 0.893 303 L HN 0.214 nan 8.230 nan 0.000 0.432 304 Q N -1.175 118.463 119.800 -0.270 0.000 2.096 304 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 304 Q C 2.077 177.976 176.000 -0.168 0.000 0.982 304 Q CA 2.188 57.717 55.803 -0.457 0.000 0.850 304 Q CB -0.177 28.078 28.738 -0.804 0.000 0.901 304 Q HN 0.528 nan 8.270 nan 0.000 0.422 305 T N 0.013 114.533 114.554 -0.057 0.000 2.867 305 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 305 T C 1.899 176.601 174.700 0.005 0.000 1.057 305 T CA 1.008 63.121 62.100 0.022 0.000 1.136 305 T CB -0.105 68.780 68.868 0.029 0.000 0.874 305 T HN 0.050 nan 8.240 nan 0.000 0.466 306 V N 1.595 121.492 119.914 -0.029 0.000 2.358 306 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 306 V C 2.673 178.773 176.094 0.010 0.000 1.047 306 V CA 1.986 64.279 62.300 -0.012 0.000 1.035 306 V CB -0.697 31.093 31.823 -0.056 0.000 0.658 306 V HN 0.457 nan 8.190 nan 0.000 0.452 307 Q N 0.375 120.142 119.800 -0.055 0.000 2.061 307 Q HA -0.307 4.033 4.340 -0.000 0.000 0.204 307 Q C 2.309 178.160 176.000 -0.248 0.000 0.984 307 Q CA 2.543 58.206 55.803 -0.232 0.000 0.846 307 Q CB -0.453 28.142 28.738 -0.238 0.000 0.902 307 Q HN 0.701 nan 8.270 nan 0.000 0.421 308 Q N -0.427 119.341 119.800 -0.054 0.000 2.135 308 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 308 Q C 0.633 176.710 176.000 0.128 0.000 0.981 308 Q CA 1.509 57.334 55.803 0.038 0.000 0.856 308 Q CB 0.022 28.836 28.738 0.127 0.000 0.902 308 Q HN 0.494 nan 8.270 nan 0.000 0.425 309 N N -0.312 118.433 118.700 0.075 0.000 2.276 309 N HA 0.024 4.764 4.740 -0.000 0.000 0.212 309 N C 0.351 175.925 175.510 0.106 0.000 1.127 309 N CA 0.680 53.784 53.050 0.090 0.000 0.834 309 N CB 1.122 39.652 38.487 0.072 0.000 1.014 309 N HN 0.287 nan 8.380 nan 0.000 0.491 310 S N -0.326 115.435 115.700 0.101 0.000 3.429 310 S HA 0.097 4.566 4.470 -0.000 0.000 0.237 310 S C 0.975 175.742 174.600 0.278 0.000 1.037 310 S CA -0.358 57.970 58.200 0.214 0.000 0.806 310 S CB -0.336 63.077 63.200 0.355 0.000 0.882 310 S HN 0.218 nan 8.310 nan 0.000 0.556 311 F N -1.612 118.445 119.950 0.178 0.000 2.817 311 F HA 0.575 5.102 4.527 -0.001 0.000 0.333 311 F C 1.048 177.002 175.800 0.257 0.000 1.085 311 F CA -0.499 57.605 58.000 0.173 0.000 1.170 311 F CB 0.093 39.169 39.000 0.127 0.000 1.066 311 F HN 0.277 nan 8.300 nan 0.000 0.564 312 Y N 0.858 120.837 120.300 -0.535 0.000 2.749 312 Y HA -0.370 4.181 4.550 0.001 0.000 0.482 312 Y C 0.380 176.156 175.900 -0.207 0.000 1.210 312 Y CA 2.015 59.942 58.100 -0.288 0.000 2.729 312 Y CB -1.338 37.046 38.460 -0.127 0.000 0.974 312 Y HN 0.449 nan 8.280 nan 0.000 0.548 313 T N -0.182 114.418 114.554 0.075 0.000 2.821 313 T HA 0.634 4.984 4.350 -0.000 0.000 0.306 313 T C -0.872 174.089 174.700 0.435 0.000 1.313 313 T CA -0.036 62.168 62.100 0.174 0.000 1.012 313 T CB 0.916 69.911 68.868 0.211 0.000 1.298 313 T HN 0.437 nan 8.240 nan 0.000 0.502 314 C N 1.521 121.038 119.300 0.361 0.000 2.656 314 C HA 0.963 5.423 4.460 -0.000 0.000 0.404 314 C C 0.907 176.015 174.990 0.198 0.000 1.423 314 C CA -0.781 58.426 59.018 0.316 0.000 1.784 314 C CB 0.767 28.676 27.740 0.282 0.000 2.093 314 C HN 1.091 nan 8.230 nan 0.000 0.492 315 A N 0.523 123.408 122.820 0.109 0.000 2.407 315 A HA 0.460 4.780 4.320 -0.000 0.000 0.248 315 A C 1.001 178.572 177.584 -0.022 0.000 1.082 315 A CA 0.218 52.272 52.037 0.028 0.000 0.785 315 A CB -0.028 18.945 19.000 -0.045 0.000 1.020 315 A HN 0.920 nan 8.150 nan 0.000 0.489 316 T N 2.380 116.895 114.554 -0.064 0.000 2.901 316 T HA 0.028 4.378 4.350 -0.000 0.000 0.252 316 T C -0.877 173.676 174.700 -0.244 0.000 1.035 316 T CA 1.491 63.496 62.100 -0.158 0.000 1.142 316 T CB -0.844 67.966 68.868 -0.096 0.000 0.869 316 T HN 0.598 nan 8.240 nan 0.000 0.442 317 P HA 0.044 nan 4.420 nan 0.000 0.217 317 P C 1.521 178.664 177.300 -0.262 0.000 1.150 317 P CA 0.887 63.858 63.100 -0.214 0.000 0.832 317 P CB -0.313 31.255 31.700 -0.220 0.000 0.787 318 L N -0.687 120.350 121.223 -0.310 0.000 2.046 318 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 318 L C 2.779 179.588 176.870 -0.102 0.000 1.077 318 L CA 1.634 56.229 54.840 -0.409 0.000 0.747 318 L CB -1.260 40.544 42.059 -0.426 0.000 0.896 318 L HN -0.006 nan 8.230 nan 0.000 0.432 319 Q N -0.092 119.671 119.800 -0.062 0.000 2.083 319 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 319 Q C 2.531 178.563 176.000 0.053 0.000 0.969 319 Q CA 1.228 57.067 55.803 0.061 0.000 0.838 319 Q CB -0.276 28.500 28.738 0.064 0.000 0.900 319 Q HN 0.547 nan 8.270 nan 0.000 0.436 320 A N 1.737 124.466 122.820 -0.151 0.000 1.851 320 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 320 A C 2.380 180.041 177.584 0.129 0.000 1.195 320 A CA 1.926 53.970 52.037 0.011 0.000 0.622 320 A CB -1.036 17.930 19.000 -0.057 0.000 0.831 320 A HN 0.399 nan 8.150 nan 0.000 0.444 321 A N -0.820 122.044 122.820 0.074 0.000 1.902 321 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 321 A C 2.120 179.831 177.584 0.212 0.000 1.181 321 A CA 1.803 53.926 52.037 0.144 0.000 0.623 321 A CB -0.660 18.411 19.000 0.117 0.000 0.818 321 A HN 0.728 nan 8.150 nan 0.000 0.443 322 L N -0.067 121.327 121.223 0.285 0.000 2.043 322 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 322 L C 2.605 179.580 176.870 0.174 0.000 1.075 322 L CA 2.297 57.272 54.840 0.225 0.000 0.752 322 L CB -0.935 41.354 42.059 0.384 0.000 0.891 322 L HN 0.356 nan 8.230 nan 0.000 0.432 323 A N -1.336 121.630 122.820 0.244 0.000 1.969 323 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 323 A C 2.100 179.810 177.584 0.210 0.000 1.169 323 A CA 1.284 53.447 52.037 0.210 0.000 0.635 323 A CB -0.420 18.734 19.000 0.257 0.000 0.810 323 A HN 0.490 nan 8.150 nan 0.000 0.445 324 E N 0.203 120.554 120.200 0.252 0.000 2.047 324 E HA -0.078 4.271 4.350 -0.000 0.000 0.191 324 E C 2.398 179.119 176.600 0.202 0.000 0.987 324 E CA 1.255 57.829 56.400 0.290 0.000 0.799 324 E CB -0.803 29.025 29.700 0.212 0.000 0.752 324 E HN 0.526 nan 8.360 nan 0.000 0.449 325 A N 0.754 123.605 122.820 0.052 0.000 1.865 325 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 325 A C 2.163 179.738 177.584 -0.016 0.000 1.191 325 A CA 1.493 53.477 52.037 -0.089 0.000 0.623 325 A CB -1.024 17.586 19.000 -0.650 0.000 0.826 325 A HN 0.187 nan 8.150 nan 0.000 0.444 326 F N -1.537 118.397 119.950 -0.026 0.000 2.120 326 F HA -0.226 4.301 4.527 -0.000 0.000 0.300 326 F C 2.207 178.017 175.800 0.017 0.000 1.095 326 F CA 1.527 59.594 58.000 0.112 0.000 1.249 326 F CB -0.778 38.173 39.000 -0.083 0.000 0.995 326 F HN 0.412 nan 8.300 nan 0.000 0.480 327 W N 0.052 121.514 121.300 0.270 0.000 2.335 327 W HA -0.195 4.465 4.660 -0.000 0.000 0.311 327 W C 2.414 178.958 176.519 0.043 0.000 1.213 327 W CA 0.758 58.184 57.345 0.136 0.000 1.274 327 W CB -0.786 28.725 29.460 0.085 0.000 1.148 327 W HN -0.071 nan 8.180 nan 0.000 0.498 328 I N 0.210 120.895 120.570 0.191 0.000 2.315 328 I HA -0.320 3.850 4.170 -0.000 0.000 0.251 328 I C 1.662 177.721 176.117 -0.097 0.000 1.125 328 I CA 1.470 62.732 61.300 -0.063 0.000 1.392 328 I CB -0.378 37.393 38.000 -0.382 0.000 1.065 328 I HN 0.003 nan 8.210 nan 0.000 0.424 329 D N -0.181 120.207 120.400 -0.021 0.000 2.355 329 D HA 0.091 4.730 4.640 -0.000 0.000 0.206 329 D C 2.217 178.474 176.300 -0.071 0.000 1.010 329 D CA 0.609 54.496 54.000 -0.189 0.000 0.875 329 D CB 0.270 40.766 40.800 -0.506 0.000 0.966 329 D HN 0.306 nan 8.370 nan 0.000 0.512 330 I N 1.079 121.751 120.570 0.170 0.000 2.361 330 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 330 I C 2.006 178.230 176.117 0.179 0.000 1.133 330 I CA 1.188 62.630 61.300 0.237 0.000 1.413 330 I CB 0.097 38.243 38.000 0.244 0.000 1.073 330 I HN -0.164 nan 8.210 nan 0.000 0.424 331 K N 0.686 121.180 120.400 0.156 0.000 2.432 331 K HA -0.023 4.297 4.320 -0.000 0.000 0.196 331 K C 1.038 177.664 176.600 0.044 0.000 1.038 331 K CA 0.546 56.898 56.287 0.108 0.000 0.986 331 K CB 0.094 32.650 32.500 0.092 0.000 0.782 331 K HN 0.401 nan 8.250 nan 0.000 0.485 332 R N -0.312 120.190 120.500 0.004 0.000 2.662 332 R HA 0.286 4.626 4.340 -0.000 0.000 0.396 332 R C 1.022 177.313 176.300 -0.015 0.000 1.096 332 R CA -0.136 55.953 56.100 -0.018 0.000 1.081 332 R CB -0.197 30.069 30.300 -0.055 0.000 1.382 332 R HN -0.003 nan 8.270 nan 0.000 0.580 333 M N 0.882 120.500 119.600 0.030 0.000 2.143 333 M HA -0.169 4.311 4.480 -0.000 0.000 0.258 333 M C 0.546 176.886 176.300 0.067 0.000 1.071 333 M CA 1.706 57.047 55.300 0.068 0.000 1.088 333 M CB -0.148 32.542 32.600 0.151 0.000 1.360 333 M HN 0.160 nan 8.290 nan 0.000 0.404 334 D N 0.600 121.034 120.400 0.057 0.000 2.336 334 D HA 0.033 4.673 4.640 -0.000 0.000 0.229 334 D C -0.277 176.045 176.300 0.037 0.000 1.061 334 D CA 0.514 54.547 54.000 0.055 0.000 0.875 334 D CB -0.057 40.774 40.800 0.051 0.000 0.904 334 D HN 0.349 nan 8.370 nan 0.000 0.525 335 D N -0.260 120.151 120.400 0.019 0.000 2.268 335 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 335 D C -1.548 174.758 176.300 0.010 0.000 1.008 335 D CA -1.605 52.402 54.000 0.011 0.000 0.939 335 D CB 1.448 42.247 40.800 -0.002 0.000 1.170 335 D HN -0.072 nan 8.370 nan 0.000 0.468 336 P HA 0.038 nan 4.420 nan 0.000 0.249 336 P C 0.503 177.810 177.300 0.012 0.000 1.229 336 P CA 0.496 63.606 63.100 0.018 0.000 0.788 336 P CB 0.629 32.345 31.700 0.027 0.000 1.072 337 E N -0.554 119.648 120.200 0.003 0.000 2.299 337 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 337 E C 0.807 177.408 176.600 0.001 0.000 0.998 337 E CA 0.042 56.449 56.400 0.012 0.000 0.851 337 E CB -0.798 28.901 29.700 -0.002 0.000 0.795 337 E HN 0.202 nan 8.360 nan 0.000 0.492 338 C N 1.754 121.018 119.300 -0.061 0.000 2.538 338 C HA -0.095 4.365 4.460 -0.000 0.000 0.408 338 C C 1.841 176.737 174.990 -0.157 0.000 1.421 338 C CA -0.358 58.558 59.018 -0.171 0.000 1.642 338 C CB -0.813 26.791 27.740 -0.226 0.000 2.553 338 C HN 0.354 nan 8.230 nan 0.000 0.604 339 Y N 4.412 124.474 120.300 -0.397 0.000 2.274 339 Y HA -0.029 4.521 4.550 -0.000 0.000 0.290 339 Y C 1.691 177.444 175.900 -0.245 0.000 1.145 339 Y CA 1.971 59.902 58.100 -0.282 0.000 1.203 339 Y CB -0.453 37.864 38.460 -0.238 0.000 0.984 339 Y HN 0.817 nan 8.280 nan 0.000 0.533 340 F N -0.498 119.240 119.950 -0.353 0.000 2.216 340 F HA -0.180 4.346 4.527 -0.000 0.000 0.300 340 F C 1.892 177.582 175.800 -0.184 0.000 1.085 340 F CA 1.386 59.082 58.000 -0.507 0.000 1.326 340 F CB -1.334 37.081 39.000 -0.976 0.000 1.027 340 F HN 0.149 nan 8.300 nan 0.000 0.497 341 N N -0.609 118.093 118.700 0.005 0.000 2.368 341 N HA -0.092 4.648 4.740 -0.000 0.000 0.178 341 N C 1.969 177.476 175.510 -0.005 0.000 1.021 341 N CA 0.894 53.968 53.050 0.041 0.000 0.875 341 N CB -0.216 38.302 38.487 0.052 0.000 1.020 341 N HN 0.172 nan 8.380 nan 0.000 0.433 342 S N 1.007 116.675 115.700 -0.053 0.000 2.406 342 S HA -0.033 4.437 4.470 -0.000 0.000 0.228 342 S C 1.910 176.459 174.600 -0.085 0.000 1.020 342 S CA 0.360 58.542 58.200 -0.031 0.000 0.965 342 S CB -0.297 62.914 63.200 0.018 0.000 0.798 342 S HN 0.212 nan 8.310 nan 0.000 0.488 343 L N 3.094 124.156 121.223 -0.270 0.000 2.005 343 L HA 0.134 4.474 4.340 -0.000 0.000 0.207 343 L C -1.037 175.815 176.870 -0.030 0.000 1.072 343 L CA 1.730 56.399 54.840 -0.285 0.000 0.744 343 L CB -1.258 40.407 42.059 -0.657 0.000 0.895 343 L HN 0.173 nan 8.230 nan 0.000 0.433 344 P HA -0.215 nan 4.420 nan 0.000 0.218 344 P C 1.395 178.837 177.300 0.237 0.000 1.149 344 P CA 1.539 64.765 63.100 0.209 0.000 0.817 344 P CB -0.154 31.634 31.700 0.148 0.000 0.785 345 K N 0.473 120.948 120.400 0.125 0.000 2.057 345 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 345 K C 2.227 178.869 176.600 0.071 0.000 1.049 345 K CA 1.399 57.744 56.287 0.097 0.000 0.931 345 K CB -0.208 32.331 32.500 0.064 0.000 0.714 345 K HN 0.046 nan 8.250 nan 0.000 0.440 346 E N 0.480 120.717 120.200 0.061 0.000 2.152 346 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 346 E C 1.958 178.598 176.600 0.066 0.000 0.983 346 E CA 0.563 56.993 56.400 0.050 0.000 0.818 346 E CB 0.092 29.817 29.700 0.042 0.000 0.758 346 E HN 0.347 nan 8.360 nan 0.000 0.467 347 L N 0.558 121.857 121.223 0.127 0.000 2.313 347 L HA -0.038 4.302 4.340 -0.000 0.000 0.214 347 L C 2.485 179.370 176.870 0.025 0.000 1.119 347 L CA 0.646 55.606 54.840 0.200 0.000 0.809 347 L CB -0.198 42.086 42.059 0.375 0.000 0.933 347 L HN 0.198 nan 8.230 nan 0.000 0.449 348 E N 0.268 120.418 120.200 -0.082 0.000 2.072 348 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 348 E C 2.240 178.678 176.600 -0.271 0.000 0.985 348 E CA 1.024 57.207 56.400 -0.360 0.000 0.801 348 E CB 0.211 29.806 29.700 -0.176 0.000 0.750 348 E HN 0.203 nan 8.360 nan 0.000 0.452 349 V N 1.790 121.624 119.914 -0.134 0.000 2.282 349 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 349 V C 2.179 178.176 176.094 -0.161 0.000 1.057 349 V CA 2.233 64.464 62.300 -0.115 0.000 1.032 349 V CB -0.421 31.370 31.823 -0.053 0.000 0.645 349 V HN 0.282 nan 8.190 nan 0.000 0.447 350 K N -0.372 119.937 120.400 -0.152 0.000 2.228 350 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 350 K C 2.298 178.612 176.600 -0.476 0.000 1.051 350 K CA 0.740 56.920 56.287 -0.178 0.000 0.960 350 K CB -0.215 32.286 32.500 0.001 0.000 0.743 350 K HN 0.330 nan 8.250 nan 0.000 0.458 351 R N 1.641 121.668 120.500 -0.788 0.000 2.096 351 R HA -0.186 4.154 4.340 -0.000 0.000 0.240 351 R C 1.200 177.127 176.300 -0.622 0.000 1.139 351 R CA 2.084 57.473 56.100 -1.185 0.000 0.952 351 R CB -0.047 29.653 30.300 -1.001 0.000 0.854 351 R HN 0.109 nan 8.270 nan 0.000 0.436 352 D N -0.623 119.529 120.400 -0.412 0.000 2.194 352 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 352 D C 1.867 178.030 176.300 -0.228 0.000 0.964 352 D CA 0.739 54.575 54.000 -0.272 0.000 0.846 352 D CB -0.185 40.495 40.800 -0.199 0.000 0.962 352 D HN 0.245 nan 8.370 nan 0.000 0.490 353 R N -0.021 120.347 120.500 -0.220 0.000 2.096 353 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 353 R C 1.982 178.158 176.300 -0.207 0.000 1.127 353 R CA 0.891 56.886 56.100 -0.174 0.000 0.968 353 R CB -0.007 30.221 30.300 -0.121 0.000 0.861 353 R HN 0.100 nan 8.270 nan 0.000 0.440 354 M N -0.065 119.370 119.600 -0.275 0.000 2.334 354 M HA -0.082 4.398 4.480 -0.000 0.000 0.266 354 M C 2.111 178.217 176.300 -0.324 0.000 1.082 354 M CA 0.725 55.860 55.300 -0.275 0.000 1.141 354 M CB 0.124 32.584 32.600 -0.234 0.000 1.380 354 M HN 0.073 nan 8.290 nan 0.000 0.440 355 V N 0.802 120.536 119.914 -0.299 0.000 2.231 355 V HA -0.360 3.760 4.120 -0.000 0.000 0.250 355 V C 2.365 178.304 176.094 -0.258 0.000 1.058 355 V CA 2.014 64.164 62.300 -0.250 0.000 1.022 355 V CB -0.805 30.899 31.823 -0.197 0.000 0.640 355 V HN 0.473 nan 8.190 nan 0.000 0.445 356 R N -0.543 119.820 120.500 -0.227 0.000 2.094 356 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 356 R C 2.325 178.448 176.300 -0.295 0.000 1.137 356 R CA 1.886 57.861 56.100 -0.209 0.000 0.943 356 R CB -0.653 29.553 30.300 -0.157 0.000 0.850 356 R HN 0.430 nan 8.270 nan 0.000 0.433 357 L N 0.702 121.705 121.223 -0.366 0.000 1.989 357 L HA -0.248 4.091 4.340 -0.000 0.000 0.211 357 L C 2.546 178.873 176.870 -0.906 0.000 1.071 357 L CA 1.440 55.929 54.840 -0.584 0.000 0.749 357 L CB -0.598 41.119 42.059 -0.570 0.000 0.890 357 L HN 0.223 nan 8.230 nan 0.000 0.431 358 L N -0.406 120.322 121.223 -0.825 0.000 2.043 358 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 358 L C 2.427 179.003 176.870 -0.490 0.000 1.075 358 L CA 1.201 55.579 54.840 -0.770 0.000 0.752 358 L CB -0.722 40.996 42.059 -0.568 0.000 0.891 358 L HN 0.359 nan 8.230 nan 0.000 0.432 359 N N -0.223 118.273 118.700 -0.340 0.000 2.149 359 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 359 N C 2.028 177.415 175.510 -0.205 0.000 1.019 359 N CA 1.668 54.592 53.050 -0.210 0.000 0.857 359 N CB -0.263 38.132 38.487 -0.155 0.000 0.997 359 N HN 0.372 nan 8.380 nan 0.000 0.426 360 S N -0.060 115.488 115.700 -0.254 0.000 2.584 360 S HA -0.054 4.415 4.470 -0.000 0.000 0.240 360 S C 1.419 175.919 174.600 -0.166 0.000 0.975 360 S CA 0.931 59.022 58.200 -0.182 0.000 0.949 360 S CB -0.289 62.811 63.200 -0.166 0.000 0.761 360 S HN 0.165 nan 8.310 nan 0.000 0.536 361 V N -3.843 115.916 119.914 -0.258 0.000 3.252 361 V HA 0.716 4.836 4.120 -0.000 0.000 0.320 361 V C 1.122 177.099 176.094 -0.194 0.000 1.459 361 V CA -0.051 62.090 62.300 -0.265 0.000 1.095 361 V CB -0.642 30.795 31.823 -0.643 0.000 0.997 361 V HN 0.660 nan 8.190 nan 0.000 0.469 362 G N 1.324 110.036 108.800 -0.146 0.000 2.160 362 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.251 362 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.251 362 G C -0.081 174.778 174.900 -0.068 0.000 1.008 362 G CA 0.521 45.572 45.100 -0.081 0.000 0.724 362 G HN 0.625 nan 8.290 nan 0.000 0.514 363 L N 0.339 121.489 121.223 -0.121 0.000 2.315 363 L HA 0.298 4.638 4.340 -0.000 0.000 0.283 363 L C 1.013 177.865 176.870 -0.031 0.000 1.089 363 L CA -0.342 54.461 54.840 -0.061 0.000 0.833 363 L CB 1.142 43.143 42.059 -0.097 0.000 1.170 363 L HN 0.181 nan 8.230 nan 0.000 0.442 364 K N 6.904 127.340 120.400 0.059 0.000 2.250 364 K HA 0.268 4.588 4.320 -0.000 0.000 0.285 364 K C -2.310 174.414 176.600 0.208 0.000 1.097 364 K CA -1.539 54.834 56.287 0.143 0.000 0.913 364 K CB 0.691 33.303 32.500 0.187 0.000 1.179 364 K HN 0.197 nan 8.250 nan 0.000 0.462 365 P HA 0.103 nan 4.420 nan 0.000 0.277 365 P C -0.522 176.762 177.300 -0.026 0.000 1.240 365 P CA -0.135 62.969 63.100 0.006 0.000 0.798 365 P CB 0.808 32.466 31.700 -0.069 0.000 0.979 366 I N 2.165 122.615 120.570 -0.200 0.000 2.361 366 I HA 0.111 4.281 4.170 -0.000 0.000 0.282 366 I C 0.799 176.819 176.117 -0.162 0.000 1.075 366 I CA -1.112 59.973 61.300 -0.358 0.000 1.205 366 I CB 1.122 38.752 38.000 -0.615 0.000 1.406 366 I HN 0.112 nan 8.210 nan 0.000 0.481 367 V N 9.039 128.910 119.914 -0.072 0.000 2.475 367 V HA 0.151 4.271 4.120 -0.000 0.000 0.292 367 V C -1.981 174.096 176.094 -0.028 0.000 1.003 367 V CA -0.834 61.437 62.300 -0.049 0.000 1.120 367 V CB 0.208 32.010 31.823 -0.036 0.000 0.937 367 V HN 0.476 nan 8.190 nan 0.000 0.476 368 P HA 0.251 nan 4.420 nan 0.000 0.275 368 P C -0.295 177.054 177.300 0.083 0.000 1.227 368 P CA -0.178 62.951 63.100 0.048 0.000 0.781 368 P CB 1.058 32.856 31.700 0.164 0.000 0.906 369 D N 1.127 121.496 120.400 -0.052 0.000 2.317 369 D HA 0.085 4.725 4.640 -0.000 0.000 0.211 369 D C 1.259 177.526 176.300 -0.056 0.000 0.966 369 D CA 1.114 54.992 54.000 -0.203 0.000 0.876 369 D CB 0.197 40.558 40.800 -0.731 0.000 0.927 369 D HN 0.580 nan 8.370 nan 0.000 0.519 370 G N -1.594 107.185 108.800 -0.035 0.000 2.600 370 G HA2 0.489 4.449 3.960 -0.000 0.000 0.293 370 G HA3 0.489 4.449 3.960 -0.000 0.000 0.293 370 G C 0.052 174.862 174.900 -0.150 0.000 1.408 370 G CA 0.000 44.945 45.100 -0.259 0.000 0.782 370 G HN 0.295 nan 8.290 nan 0.000 0.482 371 G N -0.974 107.617 108.800 -0.349 0.000 2.645 371 G HA2 0.132 4.092 3.960 -0.000 0.000 0.246 371 G HA3 0.132 4.092 3.960 -0.000 0.000 0.246 371 G C 0.201 174.844 174.900 -0.428 0.000 1.322 371 G CA 1.008 45.701 45.100 -0.679 0.000 0.898 371 G HN 2.340 nan 8.290 nan 0.000 0.573 372 Y N -3.213 116.638 120.300 -0.750 0.000 2.811 372 Y HA 0.679 5.229 4.550 -0.000 0.000 0.245 372 Y C -0.226 174.772 175.900 -1.504 0.000 1.041 372 Y CA -1.471 55.906 58.100 -1.204 0.000 1.110 372 Y CB -0.168 37.658 38.460 -1.056 0.000 1.212 372 Y HN 0.371 nan 8.280 nan 0.000 0.635 373 F N 2.456 122.286 119.950 -0.200 0.000 2.492 373 F HA 0.663 5.190 4.527 -0.000 0.000 0.327 373 F C -0.399 175.534 175.800 0.222 0.000 1.079 373 F CA -1.692 56.313 58.000 0.008 0.000 0.967 373 F CB 2.057 41.026 39.000 -0.051 0.000 1.169 373 F HN 0.098 nan 8.300 nan 0.000 0.472 374 I N 2.976 123.837 120.570 0.484 0.000 2.498 374 I HA 0.576 4.746 4.170 -0.000 0.000 0.290 374 I C -1.366 174.904 176.117 0.254 0.000 1.032 374 I CA -0.348 61.135 61.300 0.304 0.000 1.073 374 I CB 1.119 39.261 38.000 0.236 0.000 1.251 374 I HN 0.488 nan 8.210 nan 0.000 0.426 375 I N 6.960 127.581 120.570 0.084 0.000 2.488 375 I HA 0.740 4.910 4.170 -0.000 0.000 0.299 375 I C -0.080 176.064 176.117 0.046 0.000 0.984 375 I CA -0.649 60.681 61.300 0.050 0.000 1.250 375 I CB 1.780 39.707 38.000 -0.122 0.000 1.389 375 I HN 0.762 nan 8.210 nan 0.000 0.488 376 A N 4.491 127.394 122.820 0.138 0.000 2.398 376 A HA 0.373 4.693 4.320 -0.000 0.000 0.301 376 A C -1.074 176.591 177.584 0.135 0.000 1.041 376 A CA -0.644 51.470 52.037 0.128 0.000 0.711 376 A CB 1.407 20.515 19.000 0.180 0.000 1.240 376 A HN 0.676 nan 8.150 nan 0.000 0.420 377 D N 1.774 122.279 120.400 0.175 0.000 2.350 377 D HA 0.261 4.901 4.640 -0.000 0.000 0.249 377 D C 1.014 177.355 176.300 0.068 0.000 1.119 377 D CA 0.471 54.578 54.000 0.178 0.000 0.886 377 D CB 1.646 42.631 40.800 0.308 0.000 1.195 377 D HN 0.647 nan 8.370 nan 0.000 0.437 378 V N 1.110 121.002 119.914 -0.038 0.000 3.528 378 V HA 0.048 4.168 4.120 -0.000 0.000 0.294 378 V C 1.745 177.790 176.094 -0.082 0.000 1.404 378 V CA 0.758 62.966 62.300 -0.152 0.000 1.065 378 V CB -0.138 31.304 31.823 -0.635 0.000 0.904 378 V HN 0.504 nan 8.190 nan 0.000 0.435 379 S N 2.059 117.718 115.700 -0.068 0.000 2.368 379 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 379 S C 2.002 176.585 174.600 -0.028 0.000 1.029 379 S CA 1.652 59.793 58.200 -0.099 0.000 0.988 379 S CB -1.055 62.047 63.200 -0.163 0.000 0.838 379 S HN 1.110 nan 8.310 nan 0.000 0.462 380 S N 0.908 116.601 115.700 -0.011 0.000 2.626 380 S HA 0.075 4.545 4.470 -0.000 0.000 0.245 380 S C 0.521 175.150 174.600 0.048 0.000 0.973 380 S CA -0.197 58.008 58.200 0.008 0.000 0.959 380 S CB -0.845 62.355 63.200 -0.000 0.000 0.762 380 S HN 0.338 nan 8.310 nan 0.000 0.539 381 L N 1.470 122.744 121.223 0.086 0.000 2.469 381 L HA 0.646 4.986 4.340 -0.000 0.000 0.253 381 L C 1.035 177.998 176.870 0.156 0.000 1.143 381 L CA 0.046 54.988 54.840 0.170 0.000 0.804 381 L CB 0.106 42.348 42.059 0.305 0.000 1.214 381 L HN 0.219 nan 8.230 nan 0.000 0.476 382 G N 1.680 110.580 108.800 0.167 0.000 2.605 382 G HA2 0.419 4.379 3.960 -0.000 0.000 0.301 382 G HA3 0.419 4.379 3.960 -0.000 0.000 0.301 382 G C -0.097 174.813 174.900 0.018 0.000 0.881 382 G CA 0.068 45.220 45.100 0.087 0.000 1.553 382 G HN 0.888 nan 8.290 nan 0.000 0.483 383 A N 2.819 125.685 122.820 0.077 0.000 2.537 383 A HA 0.382 4.702 4.320 -0.000 0.000 0.260 383 A C 0.710 178.291 177.584 -0.005 0.000 1.082 383 A CA 0.032 52.150 52.037 0.135 0.000 0.765 383 A CB 0.332 19.453 19.000 0.201 0.000 1.019 383 A HN 0.567 nan 8.150 nan 0.000 0.507 384 D N 2.097 122.405 120.400 -0.154 0.000 2.740 384 D HA 0.200 4.840 4.640 -0.000 0.000 0.305 384 D C 0.156 176.289 176.300 -0.279 0.000 1.583 384 D CA 0.081 53.925 54.000 -0.260 0.000 0.790 384 D CB 0.037 40.552 40.800 -0.474 0.000 1.187 384 D HN 0.466 nan 8.370 nan 0.000 0.447 385 L N -0.537 120.573 121.223 -0.188 0.000 3.086 385 L HA 0.236 4.576 4.340 -0.000 0.000 0.274 385 L C 1.964 178.791 176.870 -0.072 0.000 1.184 385 L CA -0.074 54.663 54.840 -0.172 0.000 1.002 385 L CB 0.456 42.349 42.059 -0.277 0.000 1.383 385 L HN -0.197 nan 8.230 nan 0.000 0.582 386 S N 1.394 117.073 115.700 -0.035 0.000 2.399 386 S HA -0.222 4.248 4.470 -0.000 0.000 0.235 386 S C 1.137 175.734 174.600 -0.005 0.000 1.063 386 S CA 2.267 60.465 58.200 -0.005 0.000 1.070 386 S CB -0.389 62.813 63.200 0.003 0.000 0.904 386 S HN 0.657 nan 8.310 nan 0.000 0.456 387 D N -0.152 120.243 120.400 -0.007 0.000 2.413 387 D HA 0.187 4.827 4.640 -0.000 0.000 0.237 387 D C 0.031 176.336 176.300 0.007 0.000 1.171 387 D CA 0.101 54.103 54.000 0.003 0.000 0.839 387 D CB -0.354 40.453 40.800 0.011 0.000 0.950 387 D HN 0.313 nan 8.370 nan 0.000 0.499 388 M N 0.665 120.264 119.600 -0.002 0.000 2.106 388 M HA 0.268 4.748 4.480 -0.000 0.000 0.288 388 M C -1.490 174.809 176.300 -0.002 0.000 0.941 388 M CA -0.569 54.733 55.300 0.003 0.000 0.934 388 M CB 1.194 33.794 32.600 -0.000 0.000 1.551 388 M HN -0.297 nan 8.290 nan 0.000 0.437 389 N N 2.175 120.876 118.700 0.001 0.000 2.699 389 N HA 0.441 5.181 4.740 -0.000 0.000 0.232 389 N C -1.532 173.973 175.510 -0.009 0.000 1.027 389 N CA 0.047 53.095 53.050 -0.003 0.000 0.920 389 N CB 1.205 39.691 38.487 -0.001 0.000 1.148 389 N HN 0.478 nan 8.380 nan 0.000 0.509 390 S N 0.581 116.273 115.700 -0.013 0.000 2.578 390 S HA 0.176 4.646 4.470 -0.000 0.000 0.272 390 S C -1.978 172.606 174.600 -0.027 0.000 1.145 390 S CA -0.849 57.335 58.200 -0.025 0.000 0.835 390 S CB 0.704 63.885 63.200 -0.032 0.000 1.104 390 S HN 0.578 nan 8.310 nan 0.000 0.458 391 D N 1.543 121.920 120.400 -0.038 0.000 3.088 391 D HA 0.219 4.859 4.640 -0.000 0.000 0.310 391 D C 0.102 176.349 176.300 -0.088 0.000 1.351 391 D CA -0.406 53.568 54.000 -0.043 0.000 0.921 391 D CB -0.064 40.718 40.800 -0.030 0.000 1.045 391 D HN 0.527 nan 8.370 nan 0.000 0.504 392 E N 0.614 120.739 120.200 -0.125 0.000 2.410 392 E HA 0.247 4.597 4.350 -0.000 0.000 0.255 392 E C -2.134 174.385 176.600 -0.136 0.000 1.194 392 E CA -1.489 54.768 56.400 -0.240 0.000 0.955 392 E CB -0.038 29.473 29.700 -0.316 0.000 0.988 392 E HN 0.202 nan 8.360 nan 0.000 0.461 393 P HA -0.024 nan 4.420 nan 0.000 0.274 393 P C -0.028 177.383 177.300 0.185 0.000 1.237 393 P CA -0.089 63.048 63.100 0.062 0.000 0.793 393 P CB 0.315 32.096 31.700 0.134 0.000 0.977 394 Y N 2.394 122.756 120.300 0.104 0.000 2.069 394 Y HA -0.377 4.173 4.550 0.000 0.000 0.278 394 Y C 1.985 178.013 175.900 0.213 0.000 1.175 394 Y CA 2.773 60.950 58.100 0.127 0.000 1.134 394 Y CB -0.521 37.988 38.460 0.082 0.000 0.965 394 Y HN 0.451 nan 8.280 nan 0.000 0.498 395 D N -1.369 119.260 120.400 0.382 0.000 2.123 395 D HA -0.270 4.370 4.640 -0.000 0.000 0.196 395 D C 1.826 178.289 176.300 0.271 0.000 0.992 395 D CA 1.851 56.031 54.000 0.300 0.000 0.833 395 D CB -1.371 39.553 40.800 0.207 0.000 0.954 395 D HN 0.425 nan 8.370 nan 0.000 0.455 396 Y N 1.285 121.637 120.300 0.086 0.000 2.070 396 Y HA -0.126 4.424 4.550 -0.000 0.000 0.280 396 Y C 2.596 178.539 175.900 0.072 0.000 1.148 396 Y CA 1.119 59.271 58.100 0.086 0.000 1.125 396 Y CB -0.782 37.738 38.460 0.100 0.000 0.975 396 Y HN -0.053 nan 8.280 nan 0.000 0.492 397 K N -0.610 119.918 120.400 0.213 0.000 2.001 397 K HA -0.252 4.068 4.320 -0.000 0.000 0.214 397 K C 2.074 178.708 176.600 0.057 0.000 1.050 397 K CA 2.133 58.459 56.287 0.065 0.000 0.934 397 K CB -0.777 31.677 32.500 -0.077 0.000 0.718 397 K HN 0.235 nan 8.250 nan 0.000 0.443 398 F N 1.111 120.975 119.950 -0.142 0.000 2.095 398 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 398 F C 1.911 177.818 175.800 0.177 0.000 1.104 398 F CA 1.293 59.267 58.000 -0.043 0.000 1.232 398 F CB -0.139 38.813 39.000 -0.081 0.000 0.987 398 F HN -0.216 nan 8.300 nan 0.000 0.475 399 V N 0.423 120.553 119.914 0.360 0.000 2.407 399 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 399 V C 2.337 178.474 176.094 0.072 0.000 1.055 399 V CA 2.179 64.595 62.300 0.192 0.000 1.049 399 V CB -0.706 31.111 31.823 -0.010 0.000 0.662 399 V HN 0.282 nan 8.190 nan 0.000 0.455 400 K N -1.153 119.301 120.400 0.090 0.000 2.009 400 K HA -0.277 4.043 4.320 -0.000 0.000 0.210 400 K C 1.925 178.563 176.600 0.064 0.000 1.049 400 K CA 2.342 58.673 56.287 0.073 0.000 0.929 400 K CB -0.367 32.192 32.500 0.098 0.000 0.714 400 K HN 0.624 nan 8.250 nan 0.000 0.440 401 W N 1.146 122.354 121.300 -0.153 0.000 2.338 401 W HA -0.188 4.472 4.660 -0.000 0.000 0.304 401 W C 2.001 178.384 176.519 -0.226 0.000 1.212 401 W CA 1.508 58.733 57.345 -0.199 0.000 1.264 401 W CB -0.120 29.115 29.460 -0.375 0.000 1.142 401 W HN 0.012 nan 8.180 nan 0.000 0.512 402 M N -0.074 119.428 119.600 -0.163 0.000 2.296 402 M HA -0.159 4.321 4.480 -0.000 0.000 0.265 402 M C 1.669 177.785 176.300 -0.306 0.000 1.064 402 M CA 1.935 57.022 55.300 -0.356 0.000 1.109 402 M CB -0.257 32.369 32.600 0.042 0.000 1.396 402 M HN -0.096 nan 8.290 nan 0.000 0.430 403 T N 0.136 114.585 114.554 -0.176 0.000 2.735 403 T HA -0.123 4.227 4.350 -0.000 0.000 0.256 403 T C 1.563 176.140 174.700 -0.204 0.000 1.042 403 T CA 1.432 63.444 62.100 -0.147 0.000 1.147 403 T CB -0.139 68.682 68.868 -0.078 0.000 0.865 403 T HN 0.343 nan 8.240 nan 0.000 0.421 404 K N 0.466 120.750 120.400 -0.194 0.000 2.015 404 K HA -0.245 4.075 4.320 -0.000 0.000 0.220 404 K C 2.233 178.580 176.600 -0.422 0.000 1.055 404 K CA 1.993 58.125 56.287 -0.258 0.000 0.951 404 K CB -0.195 32.202 32.500 -0.171 0.000 0.725 404 K HN 0.516 nan 8.250 nan 0.000 0.449 405 H N -1.095 117.594 119.070 -0.635 0.000 2.399 405 H HA 0.083 4.639 4.556 -0.000 0.000 0.300 405 H C 1.534 176.459 175.328 -0.672 0.000 1.048 405 H CA 0.908 56.533 56.048 -0.704 0.000 1.370 405 H CB 0.447 29.591 29.762 -1.030 0.000 1.428 405 H HN 0.153 nan 8.280 nan 0.000 0.534 406 K N 0.774 120.775 120.400 -0.665 0.000 2.367 406 K HA 0.024 4.344 4.320 -0.000 0.000 0.194 406 K C 0.383 176.765 176.600 -0.364 0.000 1.027 406 K CA -0.027 55.890 56.287 -0.618 0.000 1.075 406 K CB 0.764 32.679 32.500 -0.976 0.000 0.845 406 K HN -0.007 nan 8.250 nan 0.000 0.529 407 K N 0.044 120.267 120.400 -0.295 0.000 3.391 407 K HA -0.137 4.183 4.320 -0.000 0.000 0.307 407 K C -0.717 175.806 176.600 -0.128 0.000 1.304 407 K CA 0.293 56.465 56.287 -0.192 0.000 0.904 407 K CB -1.489 30.909 32.500 -0.170 0.000 1.293 407 K HN 0.112 nan 8.250 nan 0.000 0.470 408 L N 0.565 121.722 121.223 -0.108 0.000 2.346 408 L HA 0.610 4.950 4.340 -0.000 0.000 0.276 408 L C 0.014 176.893 176.870 0.014 0.000 1.006 408 L CA 0.074 54.907 54.840 -0.010 0.000 0.817 408 L CB 1.700 43.791 42.059 0.053 0.000 1.272 408 L HN 0.223 nan 8.230 nan 0.000 0.421 409 T N 1.883 116.444 114.554 0.012 0.000 2.918 409 T HA 0.988 5.338 4.350 -0.000 0.000 0.286 409 T C -0.313 174.329 174.700 -0.097 0.000 1.026 409 T CA -0.093 61.981 62.100 -0.042 0.000 1.031 409 T CB 1.877 70.705 68.868 -0.067 0.000 1.046 409 T HN 0.914 nan 8.240 nan 0.000 0.479 410 A N 1.874 124.551 122.820 -0.238 0.000 2.583 410 A HA 0.826 5.146 4.320 -0.000 0.000 0.299 410 A C -1.484 175.808 177.584 -0.486 0.000 1.258 410 A CA -0.952 50.835 52.037 -0.417 0.000 0.682 410 A CB 1.035 19.486 19.000 -0.916 0.000 1.332 410 A HN 0.752 nan 8.150 nan 0.000 0.485 411 I N 1.345 121.618 120.570 -0.495 0.000 2.465 411 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 411 I C -2.566 173.274 176.117 -0.461 0.000 1.014 411 I CA -2.234 58.672 61.300 -0.656 0.000 1.093 411 I CB 1.623 39.370 38.000 -0.421 0.000 1.267 411 I HN 0.327 nan 8.210 nan 0.000 0.431 412 P HA 0.143 nan 4.420 nan 0.000 0.280 412 P C 0.836 178.068 177.300 -0.114 0.000 1.244 412 P CA -0.145 62.778 63.100 -0.296 0.000 0.784 412 P CB 1.547 32.999 31.700 -0.413 0.000 0.913 413 V N 2.536 122.478 119.914 0.047 0.000 2.913 413 V HA -0.187 3.933 4.120 -0.000 0.000 0.260 413 V C 2.453 178.644 176.094 0.161 0.000 1.098 413 V CA 2.472 64.868 62.300 0.161 0.000 1.121 413 V CB -1.355 30.519 31.823 0.086 0.000 0.714 413 V HN 0.676 nan 8.190 nan 0.000 0.487 414 S N 1.065 116.849 115.700 0.139 0.000 2.428 414 S HA -0.067 4.403 4.470 -0.000 0.000 0.230 414 S C 2.133 176.784 174.600 0.085 0.000 1.014 414 S CA 0.963 59.266 58.200 0.173 0.000 0.957 414 S CB -0.404 62.979 63.200 0.305 0.000 0.784 414 S HN 0.549 nan 8.310 nan 0.000 0.499 415 A N 1.095 123.901 122.820 -0.024 0.000 2.042 415 A HA -0.017 4.303 4.320 -0.000 0.000 0.222 415 A C 1.407 178.701 177.584 -0.484 0.000 1.167 415 A CA 1.333 53.239 52.037 -0.218 0.000 0.649 415 A CB -1.011 17.722 19.000 -0.444 0.000 0.809 415 A HN 0.629 nan 8.150 nan 0.000 0.457 416 F N -1.236 118.581 119.950 -0.223 0.000 2.660 416 F HA 0.261 4.789 4.527 0.000 0.000 0.297 416 F C 0.390 175.651 175.800 -0.898 0.000 1.132 416 F CA -0.519 57.162 58.000 -0.532 0.000 1.372 416 F CB -0.058 38.672 39.000 -0.449 0.000 1.003 416 F HN 0.022 nan 8.300 nan 0.000 0.524 417 C N 1.160 120.172 119.300 -0.479 0.000 2.626 417 C HA 0.314 4.774 4.460 -0.000 0.000 0.310 417 C C -0.149 174.727 174.990 -0.191 0.000 1.191 417 C CA -1.465 57.308 59.018 -0.409 0.000 1.517 417 C CB 1.132 28.789 27.740 -0.139 0.000 2.102 417 C HN 0.455 nan 8.230 nan 0.000 0.479 418 D N 1.237 121.552 120.400 -0.142 0.000 2.368 418 D HA 0.008 4.648 4.640 -0.000 0.000 0.240 418 D C 1.131 177.379 176.300 -0.086 0.000 1.169 418 D CA 0.336 54.220 54.000 -0.194 0.000 0.906 418 D CB 0.808 41.021 40.800 -0.979 0.000 1.187 418 D HN 0.634 nan 8.370 nan 0.000 0.435 419 S N 1.291 116.982 115.700 -0.016 0.000 2.382 419 S HA -0.278 4.192 4.470 -0.000 0.000 0.228 419 S C 1.612 176.244 174.600 0.054 0.000 1.027 419 S CA 1.289 59.507 58.200 0.030 0.000 0.991 419 S CB -0.400 62.827 63.200 0.043 0.000 0.823 419 S HN 0.645 nan 8.310 nan 0.000 0.469 420 K N 0.323 120.762 120.400 0.065 0.000 2.504 420 K HA 0.158 4.478 4.320 -0.000 0.000 0.195 420 K C 1.412 178.127 176.600 0.192 0.000 1.036 420 K CA 0.905 57.262 56.287 0.116 0.000 0.984 420 K CB -0.143 32.436 32.500 0.132 0.000 0.788 420 K HN 0.389 nan 8.250 nan 0.000 0.488 421 S N -0.071 115.741 115.700 0.187 0.000 2.505 421 S HA 0.134 4.604 4.470 -0.000 0.000 0.216 421 S C 0.951 175.791 174.600 0.399 0.000 1.018 421 S CA -0.213 58.197 58.200 0.350 0.000 0.911 421 S CB 0.315 63.656 63.200 0.236 0.000 0.818 421 S HN 0.276 nan 8.310 nan 0.000 0.497 422 K N 1.708 122.241 120.400 0.221 0.000 2.103 422 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 422 K C -1.171 175.530 176.600 0.168 0.000 1.048 422 K CA 1.430 57.840 56.287 0.205 0.000 0.930 422 K CB -0.984 31.590 32.500 0.122 0.000 0.716 422 K HN 0.298 nan 8.250 nan 0.000 0.444 423 P HA -0.120 nan 4.420 nan 0.000 0.219 423 P C 0.706 177.856 177.300 -0.249 0.000 1.150 423 P CA 1.040 64.049 63.100 -0.153 0.000 0.814 423 P CB 0.022 31.555 31.700 -0.280 0.000 0.787 424 H N -2.509 116.574 119.070 0.023 0.000 2.545 424 H HA 0.072 4.628 4.556 -0.000 0.000 0.282 424 H C 0.880 175.976 175.328 -0.386 0.000 1.020 424 H CA 1.030 56.965 56.048 -0.187 0.000 1.243 424 H CB -0.299 29.328 29.762 -0.225 0.000 1.377 424 H HN 0.267 nan 8.280 nan 0.000 0.581 425 F N -0.010 120.039 119.950 0.166 0.000 2.767 425 F HA 0.091 4.618 4.527 0.000 0.000 0.323 425 F C 2.007 177.878 175.800 0.118 0.000 1.091 425 F CA -0.209 57.885 58.000 0.156 0.000 1.192 425 F CB 0.433 39.514 39.000 0.135 0.000 1.056 425 F HN 0.123 nan 8.300 nan 0.000 0.571 426 E N 0.642 120.982 120.200 0.234 0.000 2.515 426 E HA -0.104 4.246 4.350 -0.000 0.000 0.201 426 E C 0.882 177.601 176.600 0.198 0.000 1.071 426 E CA 0.750 57.281 56.400 0.219 0.000 0.880 426 E CB -0.227 29.589 29.700 0.194 0.000 0.828 426 E HN 0.176 nan 8.360 nan 0.000 0.540 427 K N 0.887 121.351 120.400 0.105 0.000 2.387 427 K HA 0.246 4.566 4.320 -0.000 0.000 0.198 427 K C 0.240 176.885 176.600 0.075 0.000 1.022 427 K CA 0.034 56.347 56.287 0.043 0.000 1.128 427 K CB 0.590 33.017 32.500 -0.120 0.000 0.853 427 K HN 0.232 nan 8.250 nan 0.000 0.523 428 L N 1.127 122.430 121.223 0.134 0.000 2.322 428 L HA 0.448 4.788 4.340 -0.000 0.000 0.279 428 L C -0.329 176.584 176.870 0.072 0.000 1.036 428 L CA -0.988 53.927 54.840 0.125 0.000 0.807 428 L CB 1.869 44.045 42.059 0.196 0.000 1.226 428 L HN -0.298 nan 8.230 nan 0.000 0.433 429 V N 3.097 123.041 119.914 0.050 0.000 2.841 429 V HA 0.463 4.583 4.120 -0.000 0.000 0.310 429 V C -0.519 175.571 176.094 -0.007 0.000 1.090 429 V CA -0.700 61.590 62.300 -0.017 0.000 0.930 429 V CB 2.792 34.590 31.823 -0.041 0.000 1.014 429 V HN 0.707 nan 8.190 nan 0.000 0.425 430 R N 2.956 123.377 120.500 -0.133 0.000 2.393 430 R HA 0.663 5.003 4.340 -0.000 0.000 0.310 430 R C -1.917 174.342 176.300 -0.068 0.000 0.968 430 R CA -0.292 55.791 56.100 -0.028 0.000 0.867 430 R CB 1.181 31.417 30.300 -0.106 0.000 1.124 430 R HN 0.531 nan 8.270 nan 0.000 0.450 431 F N 2.393 122.461 119.950 0.196 0.000 2.546 431 F HA 0.438 4.966 4.527 0.000 0.000 0.320 431 F C 0.056 176.066 175.800 0.350 0.000 1.076 431 F CA -0.702 57.450 58.000 0.254 0.000 0.928 431 F CB 1.714 40.859 39.000 0.242 0.000 1.189 431 F HN 0.438 nan 8.300 nan 0.000 0.465 432 C N 3.902 123.488 119.300 0.477 0.000 2.382 432 C HA 0.663 5.123 4.460 -0.000 0.000 0.327 432 C C 0.404 175.484 174.990 0.150 0.000 1.250 432 C CA -0.650 58.496 59.018 0.214 0.000 1.707 432 C CB -0.494 27.356 27.740 0.183 0.000 2.272 432 C HN 0.831 nan 8.230 nan 0.000 0.506 433 F N 3.414 123.347 119.950 -0.029 0.000 2.724 433 F HA 0.423 4.950 4.527 0.000 0.000 0.310 433 F C 0.348 176.073 175.800 -0.126 0.000 1.107 433 F CA -0.648 57.331 58.000 -0.035 0.000 1.218 433 F CB -0.609 38.386 39.000 -0.009 0.000 1.042 433 F HN 0.415 nan 8.300 nan 0.000 0.540 434 I N 3.412 123.698 120.570 -0.472 0.000 2.566 434 I HA 0.128 4.298 4.170 -0.000 0.000 0.286 434 I C -0.619 175.385 176.117 -0.188 0.000 1.060 434 I CA 0.253 61.300 61.300 -0.421 0.000 2.222 434 I CB -0.753 36.686 38.000 -0.935 0.000 1.534 434 I HN 0.042 nan 8.210 nan 0.000 0.987 435 K N 4.981 125.365 120.400 -0.027 0.000 2.395 435 K HA 0.429 4.749 4.320 -0.000 0.000 0.247 435 K C -0.696 175.930 176.600 0.044 0.000 0.973 435 K CA -0.855 55.447 56.287 0.026 0.000 0.828 435 K CB 1.710 34.254 32.500 0.075 0.000 1.272 435 K HN 0.253 nan 8.250 nan 0.000 0.439 436 K N 0.395 120.823 120.400 0.046 0.000 2.168 436 K HA 0.162 4.482 4.320 -0.000 0.000 0.258 436 K C 0.009 176.639 176.600 0.050 0.000 1.010 436 K CA -0.509 55.804 56.287 0.044 0.000 0.929 436 K CB 0.536 33.060 32.500 0.041 0.000 0.998 436 K HN 0.257 nan 8.250 nan 0.000 0.479 437 D N 1.017 121.443 120.400 0.042 0.000 2.158 437 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 437 D C 1.891 178.218 176.300 0.045 0.000 0.995 437 D CA 2.094 56.118 54.000 0.041 0.000 0.846 437 D CB -0.314 40.505 40.800 0.031 0.000 0.941 437 D HN 0.699 nan 8.370 nan 0.000 0.456 438 S N -0.791 114.935 115.700 0.043 0.000 2.447 438 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 438 S C 1.936 176.566 174.600 0.050 0.000 1.006 438 S CA 1.116 59.341 58.200 0.042 0.000 0.957 438 S CB -0.314 62.908 63.200 0.036 0.000 0.773 438 S HN 0.136 nan 8.310 nan 0.000 0.507 439 T N 2.590 117.180 114.554 0.060 0.000 2.939 439 T HA 0.283 4.633 4.350 -0.000 0.000 0.254 439 T C 1.656 176.408 174.700 0.087 0.000 1.041 439 T CA 0.713 62.855 62.100 0.071 0.000 1.142 439 T CB -0.350 68.565 68.868 0.079 0.000 0.874 439 T HN 0.283 nan 8.240 nan 0.000 0.452 440 L N 1.078 122.353 121.223 0.087 0.000 2.141 440 L HA -0.078 4.261 4.340 -0.000 0.000 0.209 440 L C 2.339 179.267 176.870 0.096 0.000 1.094 440 L CA 0.839 55.740 54.840 0.101 0.000 0.763 440 L CB -0.645 41.463 42.059 0.081 0.000 0.908 440 L HN 0.136 nan 8.230 nan 0.000 0.437 441 D N 0.886 121.329 120.400 0.072 0.000 2.137 441 D HA -0.248 4.392 4.640 -0.000 0.000 0.189 441 D C 2.257 178.600 176.300 0.073 0.000 0.998 441 D CA 1.881 55.920 54.000 0.065 0.000 0.839 441 D CB -0.258 40.571 40.800 0.047 0.000 0.962 441 D HN 0.299 nan 8.370 nan 0.000 0.446 442 A N 0.610 123.466 122.820 0.061 0.000 1.986 442 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 442 A C 2.232 179.848 177.584 0.053 0.000 1.171 442 A CA 2.654 54.719 52.037 0.046 0.000 0.640 442 A CB -0.631 18.389 19.000 0.034 0.000 0.811 442 A HN 0.287 nan 8.150 nan 0.000 0.451 443 A N -0.711 122.165 122.820 0.093 0.000 1.935 443 A HA 0.028 4.348 4.320 -0.000 0.000 0.214 443 A C 1.914 179.630 177.584 0.219 0.000 1.178 443 A CA 1.501 53.605 52.037 0.112 0.000 0.640 443 A CB -0.415 18.713 19.000 0.213 0.000 0.825 443 A HN 0.598 nan 8.150 nan 0.000 0.447 444 E N 0.202 120.538 120.200 0.228 0.000 2.049 444 E HA -0.282 4.068 4.350 -0.000 0.000 0.198 444 E C 1.789 178.497 176.600 0.180 0.000 1.007 444 E CA 1.849 58.386 56.400 0.229 0.000 0.809 444 E CB -0.205 29.575 29.700 0.133 0.000 0.749 444 E HN 0.568 nan 8.360 nan 0.000 0.450 445 E N 0.127 120.391 120.200 0.108 0.000 2.136 445 E HA -0.222 4.128 4.350 -0.000 0.000 0.202 445 E C 1.943 178.590 176.600 0.079 0.000 1.019 445 E CA 1.878 58.324 56.400 0.076 0.000 0.819 445 E CB -0.170 29.554 29.700 0.039 0.000 0.739 445 E HN 0.438 nan 8.360 nan 0.000 0.458 446 I N -0.866 119.732 120.570 0.046 0.000 2.406 446 I HA -0.173 3.997 4.170 -0.000 0.000 0.249 446 I C 1.415 177.608 176.117 0.126 0.000 1.122 446 I CA 0.600 61.892 61.300 -0.013 0.000 1.431 446 I CB -0.105 37.794 38.000 -0.169 0.000 1.087 446 I HN 0.092 nan 8.210 nan 0.000 0.424 447 F N 0.832 120.925 119.950 0.240 0.000 2.456 447 F HA 0.015 4.542 4.527 0.000 0.000 0.298 447 F C 2.566 178.488 175.800 0.205 0.000 1.104 447 F CA 0.788 58.947 58.000 0.265 0.000 1.435 447 F CB -0.425 38.632 39.000 0.094 0.000 1.078 447 F HN -0.118 nan 8.300 nan 0.000 0.546 448 R N -0.282 120.405 120.500 0.313 0.000 2.075 448 R HA 0.050 4.390 4.340 -0.000 0.000 0.226 448 R C 2.000 178.414 176.300 0.189 0.000 1.114 448 R CA 1.084 57.306 56.100 0.203 0.000 0.972 448 R CB -0.479 29.904 30.300 0.138 0.000 0.869 448 R HN 0.170 nan 8.270 nan 0.000 0.437 449 A N 0.338 123.263 122.820 0.175 0.000 2.259 449 A HA -0.077 4.243 4.320 -0.000 0.000 0.208 449 A C 1.431 179.122 177.584 0.178 0.000 1.201 449 A CA -0.221 51.893 52.037 0.128 0.000 0.824 449 A CB -0.636 18.398 19.000 0.057 0.000 0.838 449 A HN 0.516 nan 8.150 nan 0.000 0.485 450 W N 0.712 122.065 121.300 0.087 0.000 2.381 450 W HA 0.001 4.661 4.660 -0.000 0.000 0.301 450 W C 0.350 176.932 176.519 0.105 0.000 1.205 450 W CA 1.284 58.691 57.345 0.102 0.000 1.285 450 W CB -0.173 29.405 29.460 0.195 0.000 1.133 450 W HN 0.414 nan 8.180 nan 0.000 0.521 451 N N 0.000 118.938 118.700 0.397 0.000 1.763 451 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 451 N CA 0.000 53.207 53.050 0.262 0.000 0.885 451 N CB 0.000 38.674 38.487 0.312 0.000 1.341 451 N HN 0.000 nan 8.380 nan 0.000 0.667