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 1rf4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLKTNIRHL HGIIRVPGDK SISHRSIIFG SLAEGETKVY DILRGEDVLS DATA SEQUENCE TMQVFRDLGV EIEDKDGVIT VQGVGMAGLK APQNALNMGN SGTSIRLISG DATA SEQUENCE VLAGADFEVE MFGDDSLSKR PMDRVTLPLK KMGVSISGQT ERDLPPLRLK DATA SEQUENCE GTKNLRPIHY ELPIASAQVK SALMFAALQA KGESVIIEKE YTRNHTEDML DATA SEQUENCE QQFGGHLSVD GKKITVQGPQ KLTGQKVVVP GDISSAAFWL VAGLIAPNSR DATA SEQUENCE LVLQNVGINE TRTGIIDVIR AMGGKLEITE IDPVAKSATL IVESSDLKGT DATA SEQUENCE EICGALIPRL IDELPIIALL ATQAQGVTVI KDAEELKVKE TDRIQVVADA DATA SEQUENCE LNSMGADITP TADGMIIKGK SALHGARVNT FGDHRIGMMT AIAALLVADG DATA SEQUENCE EVELDRAEAI NTSYPSFFDD LESLIHG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.245 176.300 -0.092 0.000 1.140 1 M CA 0.000 55.245 55.300 -0.091 0.000 0.988 1 M CB 0.000 32.511 32.600 -0.149 0.000 1.302 2 K N 1.112 121.453 120.400 -0.098 0.000 2.297 2 K HA 0.623 4.943 4.320 -0.000 0.000 0.286 2 K C -1.536 175.000 176.600 -0.106 0.000 1.053 2 K CA -0.472 55.767 56.287 -0.079 0.000 0.940 2 K CB 0.620 33.081 32.500 -0.064 0.000 1.019 2 K HN 0.646 nan 8.250 nan 0.000 0.475 3 L N 4.138 125.325 121.223 -0.061 0.000 2.343 3 L HA 0.321 4.661 4.340 -0.000 0.000 0.275 3 L C -0.410 176.450 176.870 -0.017 0.000 1.056 3 L CA -0.465 54.355 54.840 -0.035 0.000 0.804 3 L CB 1.255 43.337 42.059 0.039 0.000 1.203 3 L HN 0.584 nan 8.230 nan 0.000 0.440 4 K N 0.708 121.106 120.400 -0.005 0.000 2.448 4 K HA 0.371 4.691 4.320 -0.000 0.000 0.278 4 K C 0.190 176.791 176.600 0.002 0.000 1.009 4 K CA 0.110 56.390 56.287 -0.011 0.000 0.995 4 K CB 0.204 32.696 32.500 -0.014 0.000 0.917 4 K HN 0.606 nan 8.250 nan 0.000 0.481 5 T N 1.476 116.023 114.554 -0.012 0.000 2.907 5 T HA 0.307 4.657 4.350 -0.000 0.000 0.290 5 T C -0.355 174.333 174.700 -0.019 0.000 1.066 5 T CA -0.878 61.219 62.100 -0.005 0.000 1.012 5 T CB 0.486 69.355 68.868 0.001 0.000 1.184 5 T HN 0.857 nan 8.240 nan 0.000 0.522 6 N N 1.361 120.054 118.700 -0.011 0.000 2.686 6 N HA -0.184 4.556 4.740 -0.000 0.000 0.261 6 N C -0.552 174.931 175.510 -0.045 0.000 1.001 6 N CA -0.209 52.831 53.050 -0.018 0.000 0.764 6 N CB -0.734 37.746 38.487 -0.011 0.000 0.898 6 N HN 0.484 nan 8.380 nan 0.000 0.544 7 I N 1.517 122.052 120.570 -0.059 0.000 2.588 7 I HA 0.015 4.185 4.170 -0.000 0.000 0.283 7 I C 1.671 177.716 176.117 -0.121 0.000 1.119 7 I CA 0.036 61.265 61.300 -0.118 0.000 1.419 7 I CB 0.879 38.813 38.000 -0.111 0.000 1.394 7 I HN 0.207 nan 8.210 nan 0.000 0.562 8 R N 5.659 126.038 120.500 -0.202 0.000 2.189 8 R HA 0.182 4.521 4.340 -0.000 0.000 0.203 8 R C -0.339 175.933 176.300 -0.047 0.000 1.012 8 R CA 0.506 56.553 56.100 -0.089 0.000 1.015 8 R CB -0.186 30.122 30.300 0.014 0.000 0.938 8 R HN 0.811 nan 8.270 nan 0.000 0.472 9 H N -2.042 116.944 119.070 -0.140 0.000 3.094 9 H HA 0.320 4.876 4.556 -0.000 0.000 0.335 9 H C -1.315 173.816 175.328 -0.328 0.000 1.254 9 H CA -0.740 55.146 56.048 -0.269 0.000 1.240 9 H CB 0.699 30.243 29.762 -0.364 0.000 1.936 9 H HN -0.151 nan 8.280 nan 0.000 0.536 10 L N 3.189 124.240 121.223 -0.287 0.000 2.372 10 L HA 0.447 4.787 4.340 -0.000 0.000 0.273 10 L C -0.867 175.905 176.870 -0.165 0.000 0.989 10 L CA -0.296 54.424 54.840 -0.200 0.000 0.841 10 L CB 1.510 43.519 42.059 -0.084 0.000 1.225 10 L HN 0.673 nan 8.230 nan 0.000 0.414 11 H N 1.928 121.018 119.070 0.033 0.000 2.679 11 H HA 0.822 5.378 4.556 -0.000 0.000 0.360 11 H C -0.006 175.307 175.328 -0.026 0.000 1.105 11 H CA -0.816 55.242 56.048 0.017 0.000 1.196 11 H CB 2.474 32.260 29.762 0.040 0.000 1.636 11 H HN 0.760 nan 8.280 nan 0.000 0.531 12 G N 1.427 110.277 108.800 0.084 0.000 2.339 12 G HA2 0.191 4.151 3.960 -0.000 0.000 0.302 12 G HA3 0.191 4.151 3.960 -0.000 0.000 0.302 12 G C -1.829 173.049 174.900 -0.036 0.000 1.425 12 G CA -0.990 44.110 45.100 -0.000 0.000 0.899 12 G HN 0.505 nan 8.290 nan 0.000 0.619 13 I N 1.158 121.701 120.570 -0.045 0.000 2.354 13 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 13 I C -0.315 175.760 176.117 -0.071 0.000 0.989 13 I CA -0.829 60.446 61.300 -0.041 0.000 1.188 13 I CB 1.445 39.432 38.000 -0.021 0.000 1.342 13 I HN 0.206 nan 8.210 nan 0.000 0.457 14 I N 6.331 126.856 120.570 -0.074 0.000 2.545 14 I HA 0.406 4.575 4.170 -0.000 0.000 0.292 14 I C -0.117 176.003 176.117 0.006 0.000 1.040 14 I CA -0.660 60.590 61.300 -0.082 0.000 1.068 14 I CB 2.064 39.931 38.000 -0.222 0.000 1.251 14 I HN 0.535 nan 8.210 nan 0.000 0.424 15 R N 4.544 125.062 120.500 0.030 0.000 2.287 15 R HA 0.425 4.765 4.340 -0.000 0.000 0.316 15 R C -0.336 176.005 176.300 0.068 0.000 1.050 15 R CA -0.501 55.627 56.100 0.046 0.000 0.983 15 R CB 1.423 31.741 30.300 0.030 0.000 1.140 15 R HN 0.552 nan 8.270 nan 0.000 0.528 16 V N 1.502 121.468 119.914 0.087 0.000 2.999 16 V HA 0.249 4.369 4.120 -0.000 0.000 0.307 16 V C -1.625 174.421 176.094 -0.079 0.000 1.084 16 V CA -1.364 60.951 62.300 0.024 0.000 1.155 16 V CB -0.026 31.830 31.823 0.056 0.000 0.975 16 V HN 0.544 nan 8.190 nan 0.000 0.490 17 P HA 0.218 nan 4.420 nan 0.000 0.273 17 P C 0.419 177.649 177.300 -0.117 0.000 1.250 17 P CA 0.211 63.218 63.100 -0.156 0.000 0.793 17 P CB 0.247 31.816 31.700 -0.218 0.000 1.011 18 G N 0.241 108.997 108.800 -0.073 0.000 2.559 18 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.235 18 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.235 18 G C -0.017 174.841 174.900 -0.070 0.000 1.266 18 G CA -0.249 44.818 45.100 -0.056 0.000 0.847 18 G HN 0.612 nan 8.290 nan 0.000 0.583 19 D N 0.837 121.200 120.400 -0.061 0.000 2.434 19 D HA -0.027 4.613 4.640 -0.000 0.000 0.252 19 D C 1.250 177.502 176.300 -0.081 0.000 1.185 19 D CA 0.047 54.007 54.000 -0.068 0.000 0.886 19 D CB 0.734 41.472 40.800 -0.103 0.000 1.148 19 D HN 0.480 nan 8.370 nan 0.000 0.483 20 K N 2.131 122.495 120.400 -0.060 0.000 2.026 20 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 20 K C 1.958 178.537 176.600 -0.035 0.000 1.048 20 K CA 1.039 57.269 56.287 -0.096 0.000 0.929 20 K CB 0.111 32.585 32.500 -0.043 0.000 0.713 20 K HN 0.270 nan 8.250 nan 0.000 0.439 21 S N 0.972 116.702 115.700 0.050 0.000 2.359 21 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 21 S C 1.868 176.507 174.600 0.065 0.000 1.035 21 S CA 1.514 59.793 58.200 0.132 0.000 1.018 21 S CB -0.249 63.050 63.200 0.165 0.000 0.876 21 S HN 0.284 nan 8.310 nan 0.000 0.448 22 I N 1.079 121.581 120.570 -0.114 0.000 2.315 22 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 22 I C 2.347 178.477 176.117 0.021 0.000 1.117 22 I CA 0.743 61.998 61.300 -0.076 0.000 1.404 22 I CB -0.348 37.548 38.000 -0.173 0.000 1.071 22 I HN 0.208 nan 8.210 nan 0.000 0.419 23 S N -0.438 115.246 115.700 -0.028 0.000 2.368 23 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 23 S C 1.866 176.466 174.600 -0.001 0.000 1.030 23 S CA 1.301 59.476 58.200 -0.042 0.000 0.999 23 S CB -0.462 62.664 63.200 -0.124 0.000 0.844 23 S HN 0.510 nan 8.310 nan 0.000 0.459 24 H N 0.894 119.977 119.070 0.022 0.000 2.290 24 H HA 0.018 4.574 4.556 -0.000 0.000 0.298 24 H C 2.501 177.838 175.328 0.015 0.000 1.087 24 H CA 1.472 57.535 56.048 0.024 0.000 1.291 24 H CB 0.052 29.839 29.762 0.043 0.000 1.369 24 H HN 0.208 nan 8.280 nan 0.000 0.492 25 R N 0.262 120.894 120.500 0.221 0.000 2.120 25 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 25 R C 2.622 179.033 176.300 0.184 0.000 1.123 25 R CA 1.249 57.481 56.100 0.219 0.000 0.975 25 R CB -0.133 30.406 30.300 0.399 0.000 0.866 25 R HN 0.371 nan 8.270 nan 0.000 0.446 26 S N 0.762 116.552 115.700 0.149 0.000 2.399 26 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 26 S C 1.950 176.559 174.600 0.015 0.000 1.022 26 S CA 0.885 59.168 58.200 0.138 0.000 0.983 26 S CB -0.155 63.123 63.200 0.132 0.000 0.803 26 S HN 0.101 nan 8.310 nan 0.000 0.480 27 I N 1.793 122.321 120.570 -0.070 0.000 2.406 27 I HA 0.046 4.216 4.170 -0.000 0.000 0.249 27 I C 2.410 178.195 176.117 -0.554 0.000 1.122 27 I CA 0.622 61.789 61.300 -0.221 0.000 1.431 27 I CB -1.177 36.738 38.000 -0.143 0.000 1.087 27 I HN 0.340 nan 8.210 nan 0.000 0.424 28 I N 0.072 120.301 120.570 -0.569 0.000 2.163 28 I HA -0.298 3.872 4.170 -0.000 0.000 0.240 28 I C 2.524 178.205 176.117 -0.727 0.000 1.081 28 I CA 1.585 62.359 61.300 -0.877 0.000 1.353 28 I CB -0.481 37.022 38.000 -0.828 0.000 1.054 28 I HN 0.003 nan 8.210 nan 0.000 0.407 29 F N 0.948 120.580 119.950 -0.528 0.000 2.171 29 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 29 F C 2.561 178.024 175.800 -0.562 0.000 1.090 29 F CA 1.363 58.934 58.000 -0.716 0.000 1.293 29 F CB -0.786 37.340 39.000 -1.455 0.000 1.013 29 F HN 0.046 nan 8.300 nan 0.000 0.486 30 G N -1.191 107.504 108.800 -0.176 0.000 2.432 30 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 30 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 30 G C 1.778 176.636 174.900 -0.069 0.000 1.135 30 G CA 1.097 46.219 45.100 0.038 0.000 0.767 30 G HN 0.323 nan 8.290 nan 0.000 0.550 31 S N 0.160 115.696 115.700 -0.274 0.000 2.395 31 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 31 S C 2.161 176.686 174.600 -0.125 0.000 1.027 31 S CA 0.328 58.375 58.200 -0.254 0.000 0.965 31 S CB -0.108 62.742 63.200 -0.582 0.000 0.812 31 S HN 0.277 nan 8.310 nan 0.000 0.482 32 L N 0.947 122.071 121.223 -0.164 0.000 2.395 32 L HA 0.172 4.512 4.340 -0.000 0.000 0.218 32 L C 1.210 178.101 176.870 0.035 0.000 1.130 32 L CA -0.090 54.714 54.840 -0.060 0.000 0.826 32 L CB -0.522 41.469 42.059 -0.113 0.000 0.941 32 L HN 0.195 nan 8.230 nan 0.000 0.451 33 A N 0.310 123.175 122.820 0.076 0.000 2.272 33 A HA 0.330 4.650 4.320 -0.000 0.000 0.275 33 A C 0.011 177.666 177.584 0.118 0.000 1.096 33 A CA -0.376 51.758 52.037 0.162 0.000 0.822 33 A CB 0.334 19.526 19.000 0.320 0.000 1.088 33 A HN 0.197 nan 8.150 nan 0.000 0.495 34 E N -0.243 120.027 120.200 0.118 0.000 2.231 34 E HA 0.513 4.863 4.350 -0.000 0.000 0.277 34 E C 0.357 177.005 176.600 0.081 0.000 0.999 34 E CA 0.259 56.709 56.400 0.084 0.000 0.827 34 E CB 1.373 31.116 29.700 0.073 0.000 1.101 34 E HN 1.372 nan 8.360 nan 0.000 0.393 35 G N 2.178 111.016 108.800 0.062 0.000 2.685 35 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.387 35 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.387 35 G C -0.663 174.271 174.900 0.057 0.000 1.324 35 G CA -0.337 44.794 45.100 0.052 0.000 0.878 35 G HN 0.696 nan 8.290 nan 0.000 0.527 36 E N -1.170 119.058 120.200 0.046 0.000 2.248 36 E HA 0.741 5.091 4.350 -0.000 0.000 0.272 36 E C -0.608 176.027 176.600 0.058 0.000 1.008 36 E CA -0.503 55.924 56.400 0.046 0.000 0.856 36 E CB 1.800 31.517 29.700 0.029 0.000 1.120 36 E HN 0.464 nan 8.360 nan 0.000 0.397 37 T N 1.961 116.558 114.554 0.071 0.000 2.861 37 T HA 0.388 4.738 4.350 -0.000 0.000 0.287 37 T C -0.864 173.865 174.700 0.049 0.000 1.003 37 T CA -0.847 61.310 62.100 0.095 0.000 0.977 37 T CB 1.302 70.300 68.868 0.218 0.000 0.996 37 T HN 0.352 nan 8.240 nan 0.000 0.448 38 K N 2.079 122.507 120.400 0.046 0.000 2.345 38 K HA 0.680 5.000 4.320 -0.000 0.000 0.255 38 K C -1.254 175.322 176.600 -0.041 0.000 0.934 38 K CA -0.784 55.472 56.287 -0.052 0.000 0.801 38 K CB 2.260 34.739 32.500 -0.036 0.000 1.137 38 K HN 0.284 nan 8.250 nan 0.000 0.424 39 V N 3.861 123.669 119.914 -0.176 0.000 2.417 39 V HA 0.371 4.491 4.120 -0.000 0.000 0.291 39 V C -1.082 174.878 176.094 -0.223 0.000 1.024 39 V CA -0.918 61.344 62.300 -0.062 0.000 0.861 39 V CB 0.532 32.348 31.823 -0.012 0.000 0.985 39 V HN 0.576 nan 8.190 nan 0.000 0.436 40 Y N 1.976 122.279 120.300 0.005 0.000 2.409 40 Y HA 0.457 5.007 4.550 -0.000 0.000 0.339 40 Y C 0.817 176.715 175.900 -0.004 0.000 1.033 40 Y CA -1.115 56.984 58.100 -0.000 0.000 1.094 40 Y CB 1.140 39.598 38.460 -0.004 0.000 1.210 40 Y HN 0.779 nan 8.280 nan 0.000 0.456 41 D N 0.731 121.205 120.400 0.123 0.000 2.870 41 D HA -0.253 4.387 4.640 -0.000 0.000 0.228 41 D C -0.076 176.241 176.300 0.029 0.000 1.147 41 D CA 0.578 54.618 54.000 0.067 0.000 0.757 41 D CB -0.927 39.915 40.800 0.070 0.000 1.091 41 D HN 0.546 nan 8.370 nan 0.000 0.429 42 I N 0.535 121.111 120.570 0.010 0.000 2.836 42 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 42 I C 0.670 176.769 176.117 -0.030 0.000 1.174 42 I CA -0.301 60.990 61.300 -0.015 0.000 1.405 42 I CB 0.657 38.640 38.000 -0.029 0.000 1.385 42 I HN 0.037 nan 8.210 nan 0.000 0.594 43 L N 7.807 128.998 121.223 -0.054 0.000 2.319 43 L HA 0.244 4.584 4.340 -0.000 0.000 0.280 43 L C 0.344 177.175 176.870 -0.065 0.000 1.099 43 L CA 0.113 54.913 54.840 -0.067 0.000 0.828 43 L CB 0.608 42.608 42.059 -0.099 0.000 1.150 43 L HN 0.759 nan 8.230 nan 0.000 0.442 44 R N 3.672 124.151 120.500 -0.036 0.000 2.515 44 R HA 0.191 4.531 4.340 -0.000 0.000 0.294 44 R C 0.802 177.089 176.300 -0.021 0.000 1.021 44 R CA -0.102 55.982 56.100 -0.026 0.000 1.081 44 R CB 0.397 30.694 30.300 -0.005 0.000 1.263 44 R HN 0.841 nan 8.270 nan 0.000 0.557 45 G N 0.650 109.426 108.800 -0.039 0.000 2.664 45 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.242 45 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.242 45 G C 0.756 175.630 174.900 -0.044 0.000 1.225 45 G CA -0.448 44.631 45.100 -0.034 0.000 0.849 45 G HN 0.146 nan 8.290 nan 0.000 0.581 46 E N 0.622 120.802 120.200 -0.033 0.000 2.160 46 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 46 E C 1.894 178.482 176.600 -0.021 0.000 0.991 46 E CA 1.310 57.696 56.400 -0.024 0.000 0.810 46 E CB -0.050 29.639 29.700 -0.019 0.000 0.742 46 E HN 0.528 nan 8.360 nan 0.000 0.466 47 D N 0.129 120.510 120.400 -0.032 0.000 2.144 47 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 47 D C 2.063 178.425 176.300 0.103 0.000 0.984 47 D CA 0.615 54.643 54.000 0.048 0.000 0.834 47 D CB -0.104 40.741 40.800 0.075 0.000 0.955 47 D HN 0.022 nan 8.370 nan 0.000 0.465 48 V N 0.772 120.627 119.914 -0.098 0.000 2.548 48 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 48 V C 2.495 178.588 176.094 -0.001 0.000 1.055 48 V CA 0.891 63.103 62.300 -0.147 0.000 1.065 48 V CB -0.378 31.302 31.823 -0.237 0.000 0.681 48 V HN 0.213 nan 8.190 nan 0.000 0.462 49 L N -0.260 120.960 121.223 -0.006 0.000 2.083 49 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 49 L C 2.640 179.526 176.870 0.027 0.000 1.083 49 L CA 1.501 56.346 54.840 0.009 0.000 0.752 49 L CB -0.726 41.333 42.059 0.001 0.000 0.899 49 L HN 0.294 nan 8.230 nan 0.000 0.433 50 S N -0.625 115.092 115.700 0.027 0.000 2.359 50 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 50 S C 2.037 176.658 174.600 0.035 0.000 1.035 50 S CA 1.943 60.148 58.200 0.008 0.000 1.018 50 S CB -0.374 62.819 63.200 -0.012 0.000 0.876 50 S HN 0.432 nan 8.310 nan 0.000 0.448 51 T N 2.731 117.353 114.554 0.114 0.000 2.684 51 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 51 T C 1.853 176.689 174.700 0.226 0.000 1.036 51 T CA 1.387 63.597 62.100 0.183 0.000 1.148 51 T CB -0.377 68.692 68.868 0.335 0.000 0.863 51 T HN 0.333 nan 8.240 nan 0.000 0.436 52 M N 0.662 120.355 119.600 0.155 0.000 2.080 52 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 52 M C 2.608 178.980 176.300 0.120 0.000 1.068 52 M CA 1.694 57.074 55.300 0.134 0.000 1.109 52 M CB -0.461 32.175 32.600 0.060 0.000 1.342 52 M HN 0.127 nan 8.290 nan 0.000 0.405 53 Q N 0.554 120.391 119.800 0.062 0.000 2.124 53 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 53 Q C 1.824 177.827 176.000 0.006 0.000 0.977 53 Q CA 1.576 57.396 55.803 0.030 0.000 0.850 53 Q CB -0.488 28.254 28.738 0.005 0.000 0.901 53 Q HN 0.363 nan 8.270 nan 0.000 0.429 54 V N 0.127 120.022 119.914 -0.031 0.000 2.252 54 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 54 V C 1.918 177.890 176.094 -0.204 0.000 1.056 54 V CA 2.124 64.330 62.300 -0.156 0.000 1.022 54 V CB -0.646 31.011 31.823 -0.277 0.000 0.641 54 V HN 0.364 nan 8.190 nan 0.000 0.445 55 F N -0.238 119.689 119.950 -0.038 0.000 2.234 55 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 55 F C 2.570 178.356 175.800 -0.024 0.000 1.087 55 F CA 1.296 59.275 58.000 -0.036 0.000 1.340 55 F CB -0.350 38.621 39.000 -0.048 0.000 1.031 55 F HN -0.035 nan 8.300 nan 0.000 0.500 56 R N 0.223 120.800 120.500 0.129 0.000 2.081 56 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 56 R C 1.624 177.940 176.300 0.027 0.000 1.131 56 R CA 1.587 57.729 56.100 0.070 0.000 0.960 56 R CB -0.478 29.851 30.300 0.048 0.000 0.856 56 R HN 0.209 nan 8.270 nan 0.000 0.436 57 D N 0.394 120.791 120.400 -0.004 0.000 2.218 57 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 57 D C 1.181 177.452 176.300 -0.049 0.000 0.976 57 D CA 0.878 54.859 54.000 -0.032 0.000 0.853 57 D CB 0.071 40.844 40.800 -0.046 0.000 0.939 57 D HN 0.044 nan 8.370 nan 0.000 0.481 58 L N -0.566 120.632 121.223 -0.042 0.000 2.645 58 L HA 0.245 4.585 4.340 -0.000 0.000 0.235 58 L C 1.682 178.561 176.870 0.016 0.000 1.150 58 L CA 0.468 55.291 54.840 -0.028 0.000 0.911 58 L CB -0.452 41.587 42.059 -0.033 0.000 1.077 58 L HN 0.168 nan 8.230 nan 0.000 0.438 59 G N -1.410 107.399 108.800 0.015 0.000 2.175 59 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 59 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 59 G C 0.307 175.236 174.900 0.049 0.000 0.982 59 G CA 0.124 45.237 45.100 0.022 0.000 0.641 59 G HN 0.118 nan 8.290 nan 0.000 0.527 60 V N 1.430 121.394 119.914 0.084 0.000 2.530 60 V HA 0.354 4.474 4.120 -0.000 0.000 0.282 60 V C 0.633 176.763 176.094 0.060 0.000 1.048 60 V CA -0.398 61.954 62.300 0.087 0.000 0.997 60 V CB 1.483 33.391 31.823 0.141 0.000 0.987 60 V HN 0.375 nan 8.190 nan 0.000 0.477 61 E N 5.335 125.558 120.200 0.038 0.000 2.223 61 E HA 0.438 4.788 4.350 -0.000 0.000 0.282 61 E C -0.829 175.783 176.600 0.019 0.000 1.046 61 E CA -0.080 56.335 56.400 0.026 0.000 0.857 61 E CB 1.132 30.843 29.700 0.018 0.000 1.055 61 E HN 0.527 nan 8.360 nan 0.000 0.409 62 I N 3.093 123.674 120.570 0.019 0.000 2.476 62 I HA 0.148 4.318 4.170 -0.000 0.000 0.281 62 I C -0.174 175.943 176.117 0.000 0.000 1.040 62 I CA -0.404 60.901 61.300 0.008 0.000 1.094 62 I CB 1.453 39.464 38.000 0.018 0.000 1.219 62 I HN 0.459 nan 8.210 nan 0.000 0.450 63 E N 5.572 125.765 120.200 -0.011 0.000 2.175 63 E HA 0.181 4.531 4.350 -0.000 0.000 0.278 63 E C -1.253 175.329 176.600 -0.029 0.000 0.969 63 E CA -0.541 55.849 56.400 -0.015 0.000 0.796 63 E CB 1.581 31.272 29.700 -0.015 0.000 1.104 63 E HN 0.412 nan 8.360 nan 0.000 0.395 64 D N 4.836 125.221 120.400 -0.024 0.000 2.460 64 D HA 0.229 4.869 4.640 -0.000 0.000 0.232 64 D C -1.285 174.998 176.300 -0.028 0.000 1.079 64 D CA -0.321 53.659 54.000 -0.033 0.000 0.864 64 D CB 0.505 41.292 40.800 -0.022 0.000 1.048 64 D HN 0.325 nan 8.370 nan 0.000 0.523 65 K N 2.949 123.326 120.400 -0.038 0.000 2.482 65 K HA 0.264 4.584 4.320 -0.000 0.000 0.251 65 K C -0.865 175.718 176.600 -0.028 0.000 0.936 65 K CA -0.507 55.764 56.287 -0.026 0.000 0.791 65 K CB 0.992 33.479 32.500 -0.022 0.000 1.213 65 K HN 0.134 nan 8.250 nan 0.000 0.428 66 D N 3.224 123.615 120.400 -0.014 0.000 2.686 66 D HA -0.193 4.447 4.640 -0.000 0.000 0.235 66 D C 0.627 176.922 176.300 -0.009 0.000 1.160 66 D CA 1.841 55.838 54.000 -0.005 0.000 0.645 66 D CB -1.204 39.597 40.800 0.002 0.000 1.039 66 D HN 1.101 nan 8.370 nan 0.000 0.423 67 G N -2.100 106.691 108.800 -0.016 0.000 2.168 67 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 67 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 67 G C 0.319 175.182 174.900 -0.061 0.000 0.977 67 G CA 0.446 45.535 45.100 -0.019 0.000 0.659 67 G HN 0.642 nan 8.290 nan 0.000 0.533 68 V N 1.956 121.806 119.914 -0.106 0.000 2.540 68 V HA 0.591 4.711 4.120 -0.000 0.000 0.302 68 V C 0.282 176.259 176.094 -0.194 0.000 1.035 68 V CA -1.218 60.940 62.300 -0.236 0.000 0.873 68 V CB 1.926 33.566 31.823 -0.306 0.000 0.992 68 V HN 0.195 nan 8.190 nan 0.000 0.428 69 I N 3.416 123.854 120.570 -0.221 0.000 2.331 69 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 69 I C 0.351 176.385 176.117 -0.140 0.000 0.998 69 I CA 0.208 61.426 61.300 -0.136 0.000 1.267 69 I CB 1.326 39.268 38.000 -0.096 0.000 1.386 69 I HN 0.583 nan 8.210 nan 0.000 0.476 70 T N 6.101 120.603 114.554 -0.086 0.000 2.786 70 T HA 0.542 4.892 4.350 -0.000 0.000 0.283 70 T C -0.147 174.537 174.700 -0.027 0.000 0.992 70 T CA -0.439 61.626 62.100 -0.059 0.000 0.954 70 T CB 1.887 70.726 68.868 -0.048 0.000 0.934 70 T HN 0.229 nan 8.240 nan 0.000 0.440 71 V N 4.347 124.255 119.914 -0.010 0.000 2.448 71 V HA 0.384 4.504 4.120 -0.000 0.000 0.295 71 V C -0.385 175.718 176.094 0.015 0.000 1.025 71 V CA -1.002 61.297 62.300 -0.002 0.000 0.859 71 V CB 1.819 33.635 31.823 -0.012 0.000 0.988 71 V HN 0.710 nan 8.190 nan 0.000 0.431 72 Q N 3.377 123.186 119.800 0.014 0.000 2.456 72 Q HA 0.343 4.683 4.340 -0.000 0.000 0.234 72 Q C 0.594 176.610 176.000 0.027 0.000 1.061 72 Q CA -0.072 55.745 55.803 0.023 0.000 0.896 72 Q CB 1.364 30.115 28.738 0.021 0.000 1.233 72 Q HN 0.923 nan 8.270 nan 0.000 0.506 73 G N 0.723 109.545 108.800 0.038 0.000 2.484 73 G HA2 0.203 4.163 3.960 -0.000 0.000 0.235 73 G HA3 0.203 4.163 3.960 -0.000 0.000 0.235 73 G C 0.858 175.784 174.900 0.042 0.000 1.282 73 G CA -0.217 44.907 45.100 0.040 0.000 0.857 73 G HN 0.494 nan 8.290 nan 0.000 0.571 74 V N 0.300 120.240 119.914 0.042 0.000 3.578 74 V HA 0.616 4.736 4.120 -0.000 0.000 0.290 74 V C 1.453 177.579 176.094 0.053 0.000 1.376 74 V CA 0.961 63.290 62.300 0.050 0.000 1.083 74 V CB -0.624 31.235 31.823 0.060 0.000 0.911 74 V HN 1.877 nan 8.190 nan 0.000 0.433 75 G N 0.957 109.790 108.800 0.055 0.000 2.472 75 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 75 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 75 G C 0.300 175.237 174.900 0.062 0.000 2.125 75 G CA 0.449 45.584 45.100 0.059 0.000 1.637 75 G HN 1.050 nan 8.290 nan 0.000 0.548 76 M N -0.962 118.671 119.600 0.054 0.000 4.386 76 M HA 0.480 4.960 4.480 -0.000 0.000 0.589 76 M C 0.605 176.931 176.300 0.042 0.000 1.924 76 M CA 1.342 56.672 55.300 0.050 0.000 0.798 76 M CB -0.484 32.153 32.600 0.061 0.000 2.238 76 M HN 1.978 nan 8.290 nan 0.000 0.813 77 A N -0.296 122.552 122.820 0.047 0.000 2.568 77 A HA 0.800 5.120 4.320 -0.000 0.000 0.287 77 A C 1.117 178.738 177.584 0.062 0.000 0.967 77 A CA 0.216 52.280 52.037 0.044 0.000 1.004 77 A CB -0.429 18.593 19.000 0.037 0.000 1.233 77 A HN 0.678 nan 8.150 nan 0.000 0.513 78 G N -0.394 108.447 108.800 0.069 0.000 3.126 78 G HA2 0.406 4.366 3.960 -0.000 0.000 0.224 78 G HA3 0.406 4.366 3.960 -0.000 0.000 0.224 78 G C 0.222 175.182 174.900 0.100 0.000 1.142 78 G CA 0.033 45.179 45.100 0.077 0.000 0.759 78 G HN 0.263 nan 8.290 nan 0.000 0.550 79 L N 1.033 122.334 121.223 0.129 0.000 2.439 79 L HA 0.388 4.728 4.340 -0.000 0.000 0.269 79 L C 0.302 177.307 176.870 0.225 0.000 1.179 79 L CA 0.093 55.035 54.840 0.171 0.000 0.828 79 L CB 1.009 43.182 42.059 0.189 0.000 1.106 79 L HN 0.039 nan 8.230 nan 0.000 0.467 80 K N 1.548 122.020 120.400 0.120 0.000 2.318 80 K HA 0.719 5.039 4.320 -0.000 0.000 0.249 80 K C -0.566 175.765 176.600 -0.449 0.000 0.942 80 K CA -0.996 55.265 56.287 -0.044 0.000 0.808 80 K CB 1.678 34.140 32.500 -0.064 0.000 1.189 80 K HN 0.673 nan 8.250 nan 0.000 0.428 81 A N 3.682 125.817 122.820 -1.143 0.000 2.584 81 A HA 0.098 4.418 4.320 -0.000 0.000 0.239 81 A C -1.880 175.346 177.584 -0.596 0.000 1.043 81 A CA -0.463 50.653 52.037 -1.537 0.000 0.756 81 A CB -0.766 17.536 19.000 -1.164 0.000 0.963 81 A HN 0.428 nan 8.150 nan 0.000 0.511 82 P HA 0.114 nan 4.420 nan 0.000 0.276 82 P C 0.360 177.573 177.300 -0.144 0.000 1.244 82 P CA -0.337 62.651 63.100 -0.187 0.000 0.801 82 P CB 0.890 32.525 31.700 -0.107 0.000 1.006 83 Q N 1.526 121.270 119.800 -0.092 0.000 2.123 83 Q HA -0.026 4.314 4.340 -0.000 0.000 0.199 83 Q C -0.022 175.951 176.000 -0.045 0.000 0.966 83 Q CA 1.643 57.406 55.803 -0.067 0.000 0.845 83 Q CB -0.500 28.210 28.738 -0.046 0.000 0.907 83 Q HN 0.414 nan 8.270 nan 0.000 0.439 84 N N -0.185 118.500 118.700 -0.025 0.000 2.701 84 N HA 0.561 5.301 4.740 -0.000 0.000 0.290 84 N C -1.095 174.436 175.510 0.036 0.000 1.338 84 N CA -0.164 52.887 53.050 0.001 0.000 0.799 84 N CB 1.297 39.794 38.487 0.018 0.000 1.491 84 N HN 0.268 nan 8.380 nan 0.000 0.540 85 A N 0.517 123.381 122.820 0.072 0.000 2.483 85 A HA 0.286 4.606 4.320 -0.000 0.000 0.238 85 A C 0.203 177.954 177.584 0.278 0.000 1.070 85 A CA -0.025 52.111 52.037 0.165 0.000 0.770 85 A CB -0.329 18.754 19.000 0.138 0.000 1.008 85 A HN 0.521 nan 8.150 nan 0.000 0.497 86 L N 2.503 123.833 121.223 0.179 0.000 2.313 86 L HA 0.145 4.485 4.340 -0.000 0.000 0.282 86 L C 0.505 177.256 176.870 -0.199 0.000 1.092 86 L CA -0.457 54.391 54.840 0.013 0.000 0.831 86 L CB 0.265 42.283 42.059 -0.068 0.000 1.159 86 L HN 0.692 nan 8.230 nan 0.000 0.442 87 N N 4.613 123.101 118.700 -0.354 0.000 2.439 87 N HA 0.162 4.902 4.740 -0.000 0.000 0.243 87 N C 0.448 175.652 175.510 -0.509 0.000 1.088 87 N CA -0.236 52.301 53.050 -0.854 0.000 0.940 87 N CB 0.960 39.152 38.487 -0.492 0.000 1.180 87 N HN 0.549 nan 8.380 nan 0.000 0.505 88 M N 1.696 120.985 119.600 -0.519 0.000 2.561 88 M HA 0.148 4.628 4.480 -0.000 0.000 0.238 88 M C 1.473 177.645 176.300 -0.214 0.000 1.131 88 M CA -0.012 55.119 55.300 -0.282 0.000 1.046 88 M CB -1.146 31.322 32.600 -0.220 0.000 1.532 88 M HN 0.606 nan 8.290 nan 0.000 0.497 89 G N 2.781 111.422 108.800 -0.265 0.000 2.690 89 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.334 89 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.334 89 G C 0.712 175.563 174.900 -0.081 0.000 1.250 89 G CA 0.864 45.878 45.100 -0.142 0.000 0.994 89 G HN 0.529 nan 8.290 nan 0.000 0.549 90 N N 1.024 119.696 118.700 -0.046 0.000 2.236 90 N HA 0.091 4.831 4.740 -0.000 0.000 0.196 90 N C 0.646 176.146 175.510 -0.017 0.000 1.114 90 N CA 1.070 54.108 53.050 -0.020 0.000 0.859 90 N CB 0.168 38.650 38.487 -0.008 0.000 0.982 90 N HN 0.461 nan 8.380 nan 0.000 0.493 91 S N -0.184 115.499 115.700 -0.029 0.000 2.416 91 S HA 0.339 4.809 4.470 -0.000 0.000 0.302 91 S C 1.307 175.873 174.600 -0.056 0.000 1.120 91 S CA -0.397 57.790 58.200 -0.021 0.000 1.067 91 S CB 0.428 63.626 63.200 -0.002 0.000 1.057 91 S HN 0.412 nan 8.310 nan 0.000 0.518 92 G N 3.598 112.382 108.800 -0.026 0.000 2.402 92 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.216 92 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.216 92 G C 1.363 176.223 174.900 -0.067 0.000 1.162 92 G CA 1.156 46.238 45.100 -0.029 0.000 0.777 92 G HN 0.674 nan 8.290 nan 0.000 0.539 93 T N 1.455 115.951 114.554 -0.097 0.000 2.720 93 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 93 T C 2.827 177.359 174.700 -0.280 0.000 1.037 93 T CA 1.625 63.618 62.100 -0.178 0.000 1.144 93 T CB -0.286 68.430 68.868 -0.254 0.000 0.864 93 T HN 0.266 nan 8.240 nan 0.000 0.444 94 S N 1.007 116.490 115.700 -0.362 0.000 2.343 94 S HA -0.007 4.463 4.470 -0.000 0.000 0.219 94 S C 2.015 176.514 174.600 -0.168 0.000 1.033 94 S CA 1.044 59.079 58.200 -0.276 0.000 1.014 94 S CB -0.508 62.572 63.200 -0.200 0.000 0.915 94 S HN 0.454 nan 8.310 nan 0.000 0.435 95 I N 1.444 121.933 120.570 -0.136 0.000 2.226 95 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 95 I C 2.525 178.593 176.117 -0.080 0.000 1.100 95 I CA 1.316 62.552 61.300 -0.107 0.000 1.374 95 I CB -0.030 37.918 38.000 -0.087 0.000 1.057 95 I HN 0.192 nan 8.210 nan 0.000 0.413 96 R N 0.291 120.753 120.500 -0.065 0.000 2.066 96 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 96 R C 2.264 178.554 176.300 -0.016 0.000 1.131 96 R CA 1.315 57.394 56.100 -0.035 0.000 0.955 96 R CB -0.473 29.815 30.300 -0.019 0.000 0.851 96 R HN 0.392 nan 8.270 nan 0.000 0.432 97 L N 0.601 121.818 121.223 -0.011 0.000 2.056 97 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 97 L C 2.445 179.302 176.870 -0.021 0.000 1.078 97 L CA 1.239 56.114 54.840 0.059 0.000 0.749 97 L CB -0.454 41.656 42.059 0.086 0.000 0.901 97 L HN 0.180 nan 8.230 nan 0.000 0.433 98 I N -0.678 119.834 120.570 -0.096 0.000 2.614 98 I HA -0.202 3.967 4.170 -0.000 0.000 0.258 98 I C 2.487 178.534 176.117 -0.118 0.000 1.189 98 I CA 0.619 61.831 61.300 -0.146 0.000 1.462 98 I CB -0.150 37.721 38.000 -0.216 0.000 1.092 98 I HN 0.169 nan 8.210 nan 0.000 0.442 99 S N 0.781 116.433 115.700 -0.080 0.000 2.399 99 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 99 S C 2.066 176.633 174.600 -0.055 0.000 1.022 99 S CA 1.396 59.555 58.200 -0.068 0.000 0.983 99 S CB -0.341 62.827 63.200 -0.054 0.000 0.803 99 S HN 0.650 nan 8.310 nan 0.000 0.480 100 G N 0.713 109.503 108.800 -0.017 0.000 2.426 100 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.214 100 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.214 100 G C 1.404 176.314 174.900 0.017 0.000 1.156 100 G CA 0.465 45.578 45.100 0.023 0.000 0.802 100 G HN 0.399 nan 8.290 nan 0.000 0.534 101 V N 1.146 121.036 119.914 -0.040 0.000 2.332 101 V HA -0.097 4.023 4.120 -0.000 0.000 0.248 101 V C 2.607 178.652 176.094 -0.081 0.000 1.055 101 V CA 1.280 63.517 62.300 -0.104 0.000 1.038 101 V CB -0.309 31.404 31.823 -0.184 0.000 0.651 101 V HN 0.327 nan 8.190 nan 0.000 0.450 102 L N 0.035 121.194 121.223 -0.107 0.000 2.599 102 L HA 0.141 4.481 4.340 -0.000 0.000 0.230 102 L C 2.424 179.197 176.870 -0.162 0.000 1.141 102 L CA 0.478 55.229 54.840 -0.148 0.000 0.877 102 L CB -0.655 41.307 42.059 -0.162 0.000 1.009 102 L HN 0.316 nan 8.230 nan 0.000 0.447 103 A N 0.567 123.325 122.820 -0.104 0.000 2.032 103 A HA -0.154 4.166 4.320 -0.000 0.000 0.221 103 A C 2.090 179.609 177.584 -0.108 0.000 1.165 103 A CA 1.834 53.815 52.037 -0.093 0.000 0.645 103 A CB -0.599 18.369 19.000 -0.053 0.000 0.807 103 A HN 0.458 nan 8.150 nan 0.000 0.453 104 G N -1.644 107.088 108.800 -0.113 0.000 3.277 104 G HA2 0.449 4.409 3.960 -0.000 0.000 0.243 104 G HA3 0.449 4.409 3.960 -0.000 0.000 0.243 104 G C 0.433 175.228 174.900 -0.176 0.000 1.107 104 G CA 0.526 45.561 45.100 -0.108 0.000 0.771 104 G HN 0.732 nan 8.290 nan 0.000 0.544 105 A N 0.712 123.342 122.820 -0.317 0.000 2.454 105 A HA 0.405 4.725 4.320 -0.000 0.000 0.260 105 A C -0.077 177.140 177.584 -0.611 0.000 1.106 105 A CA -0.199 51.459 52.037 -0.631 0.000 0.780 105 A CB 0.374 18.677 19.000 -1.161 0.000 1.044 105 A HN 0.077 nan 8.150 nan 0.000 0.498 106 D N 2.732 122.910 120.400 -0.369 0.000 2.896 106 D HA 0.455 5.095 4.640 -0.000 0.000 0.240 106 D C -0.776 175.540 176.300 0.026 0.000 1.193 106 D CA 0.393 54.315 54.000 -0.130 0.000 0.983 106 D CB -0.859 39.943 40.800 0.003 0.000 1.074 106 D HN 0.383 nan 8.370 nan 0.000 0.496 107 F N -1.636 118.306 119.950 -0.013 0.000 2.842 107 F HA 0.419 4.946 4.527 -0.000 0.000 0.319 107 F C -1.125 174.664 175.800 -0.019 0.000 1.159 107 F CA -1.377 56.615 58.000 -0.015 0.000 0.902 107 F CB 0.777 39.767 39.000 -0.016 0.000 1.311 107 F HN -0.177 nan 8.300 nan 0.000 0.453 108 E N 1.340 121.717 120.200 0.295 0.000 2.179 108 E HA 0.674 5.024 4.350 -0.000 0.000 0.275 108 E C -1.887 174.862 176.600 0.249 0.000 0.945 108 E CA -0.992 55.511 56.400 0.172 0.000 0.792 108 E CB 2.304 32.055 29.700 0.086 0.000 1.125 108 E HN 0.750 nan 8.360 nan 0.000 0.397 109 V N 3.249 123.272 119.914 0.181 0.000 2.962 109 V HA 0.412 4.532 4.120 -0.000 0.000 0.313 109 V C -1.191 174.953 176.094 0.083 0.000 1.099 109 V CA -0.583 61.811 62.300 0.157 0.000 0.971 109 V CB 2.069 34.029 31.823 0.228 0.000 1.028 109 V HN 0.858 nan 8.190 nan 0.000 0.430 110 E N 4.201 124.447 120.200 0.077 0.000 2.214 110 E HA 0.632 4.982 4.350 -0.000 0.000 0.274 110 E C -1.286 175.384 176.600 0.116 0.000 0.977 110 E CA -0.754 55.694 56.400 0.080 0.000 0.827 110 E CB 1.680 31.422 29.700 0.069 0.000 1.130 110 E HN 0.713 nan 8.360 nan 0.000 0.394 111 M N 4.866 124.537 119.600 0.119 0.000 2.165 111 M HA 0.324 4.804 4.480 -0.000 0.000 0.283 111 M C -1.267 175.133 176.300 0.165 0.000 0.978 111 M CA -0.817 54.542 55.300 0.097 0.000 0.948 111 M CB 1.086 33.685 32.600 -0.002 0.000 1.599 111 M HN 0.407 nan 8.290 nan 0.000 0.450 112 F N 0.605 120.539 119.950 -0.028 0.000 2.618 112 F HA 1.079 5.606 4.527 -0.000 0.000 0.332 112 F C -0.142 175.646 175.800 -0.019 0.000 1.061 112 F CA -1.011 56.977 58.000 -0.020 0.000 0.974 112 F CB 1.244 40.234 39.000 -0.016 0.000 1.310 112 F HN 0.506 nan 8.300 nan 0.000 0.491 113 G N -0.189 108.626 108.800 0.024 0.000 2.727 113 G HA2 0.474 4.434 3.960 -0.000 0.000 0.289 113 G HA3 0.474 4.434 3.960 -0.000 0.000 0.289 113 G C -1.842 173.088 174.900 0.051 0.000 1.418 113 G CA -0.609 44.440 45.100 -0.086 0.000 0.818 113 G HN 0.917 nan 8.290 nan 0.000 0.486 114 D N -1.069 119.342 120.400 0.018 0.000 2.356 114 D HA 0.137 4.777 4.640 -0.000 0.000 0.258 114 D C 1.273 177.606 176.300 0.056 0.000 1.279 114 D CA 0.300 54.333 54.000 0.055 0.000 1.016 114 D CB 0.279 41.100 40.800 0.036 0.000 1.107 114 D HN 0.353 nan 8.370 nan 0.000 0.544 115 D N -0.775 119.657 120.400 0.053 0.000 2.104 115 D HA -0.261 4.379 4.640 -0.000 0.000 0.194 115 D C 1.857 178.176 176.300 0.032 0.000 0.994 115 D CA 2.209 56.235 54.000 0.043 0.000 0.830 115 D CB -1.008 39.818 40.800 0.043 0.000 0.959 115 D HN 0.319 nan 8.370 nan 0.000 0.452 116 S N -0.472 115.250 115.700 0.037 0.000 2.348 116 S HA -0.099 4.371 4.470 -0.000 0.000 0.221 116 S C 1.908 176.522 174.600 0.024 0.000 1.033 116 S CA 0.675 58.894 58.200 0.033 0.000 1.010 116 S CB -0.513 62.717 63.200 0.050 0.000 0.891 116 S HN 0.300 nan 8.310 nan 0.000 0.442 117 L N 1.633 122.868 121.223 0.020 0.000 2.131 117 L HA 0.013 4.353 4.340 -0.000 0.000 0.210 117 L C 2.072 178.949 176.870 0.012 0.000 1.092 117 L CA 1.827 56.673 54.840 0.010 0.000 0.759 117 L CB -1.485 40.568 42.059 -0.009 0.000 0.903 117 L HN 0.338 nan 8.230 nan 0.000 0.435 118 S N -0.308 115.405 115.700 0.023 0.000 2.595 118 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 118 S C 1.509 176.118 174.600 0.015 0.000 0.974 118 S CA 0.674 58.890 58.200 0.026 0.000 0.942 118 S CB -0.064 63.160 63.200 0.040 0.000 0.766 118 S HN 0.466 nan 8.310 nan 0.000 0.536 119 K N 0.477 120.882 120.400 0.009 0.000 2.358 119 K HA 0.177 4.497 4.320 -0.000 0.000 0.197 119 K C 0.108 176.709 176.600 0.001 0.000 1.025 119 K CA 0.042 56.329 56.287 0.000 0.000 1.104 119 K CB 0.501 32.996 32.500 -0.009 0.000 0.855 119 K HN 0.182 nan 8.250 nan 0.000 0.531 120 R N 2.228 122.730 120.500 0.005 0.000 2.368 120 R HA 0.215 4.555 4.340 -0.000 0.000 0.302 120 R C -2.552 173.751 176.300 0.004 0.000 1.002 120 R CA -2.088 54.015 56.100 0.005 0.000 0.929 120 R CB 0.592 30.897 30.300 0.009 0.000 1.073 120 R HN -0.063 nan 8.270 nan 0.000 0.464 121 P HA -0.012 nan 4.420 nan 0.000 0.268 121 P C -0.220 177.081 177.300 0.002 0.000 1.204 121 P CA 0.162 63.264 63.100 0.004 0.000 0.768 121 P CB 0.852 32.556 31.700 0.006 0.000 0.842 122 M N 1.567 121.166 119.600 -0.002 0.000 2.306 122 M HA 0.024 4.503 4.480 -0.000 0.000 0.292 122 M C 1.122 177.416 176.300 -0.010 0.000 1.018 122 M CA 0.302 55.597 55.300 -0.008 0.000 1.007 122 M CB -0.747 31.846 32.600 -0.012 0.000 1.510 122 M HN 0.309 nan 8.290 nan 0.000 0.537 123 D N 1.668 122.066 120.400 -0.003 0.000 2.182 123 D HA -0.233 4.407 4.640 -0.000 0.000 0.201 123 D C 1.663 177.963 176.300 0.001 0.000 0.986 123 D CA 1.283 55.282 54.000 -0.002 0.000 0.847 123 D CB -0.690 40.114 40.800 0.007 0.000 0.942 123 D HN 0.526 nan 8.370 nan 0.000 0.467 124 R N 0.241 120.747 120.500 0.010 0.000 2.241 124 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 124 R C 1.826 178.120 176.300 -0.011 0.000 1.101 124 R CA 0.922 57.037 56.100 0.026 0.000 0.995 124 R CB -0.399 29.921 30.300 0.034 0.000 0.870 124 R HN 0.252 nan 8.270 nan 0.000 0.463 125 V N 1.003 120.895 119.914 -0.036 0.000 3.484 125 V HA -0.073 4.047 4.120 -0.000 0.000 0.252 125 V C 2.065 178.103 176.094 -0.093 0.000 1.282 125 V CA 1.293 63.550 62.300 -0.072 0.000 1.104 125 V CB 0.837 32.632 31.823 -0.045 0.000 0.868 125 V HN 0.614 nan 8.190 nan 0.000 0.457 126 T N -1.410 113.105 114.554 -0.064 0.000 2.857 126 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 126 T C 1.939 176.594 174.700 -0.075 0.000 1.048 126 T CA 1.720 63.783 62.100 -0.061 0.000 1.139 126 T CB -0.441 68.405 68.868 -0.037 0.000 0.874 126 T HN 0.377 nan 8.240 nan 0.000 0.455 127 L N 2.383 123.566 121.223 -0.068 0.000 1.971 127 L HA -0.025 4.315 4.340 -0.000 0.000 0.215 127 L C -0.283 176.508 176.870 -0.132 0.000 1.072 127 L CA 1.845 56.651 54.840 -0.058 0.000 0.758 127 L CB -0.928 41.132 42.059 0.002 0.000 0.889 127 L HN 0.219 nan 8.230 nan 0.000 0.433 128 P HA -0.146 nan 4.420 nan 0.000 0.220 128 P C 1.863 179.008 177.300 -0.260 0.000 1.152 128 P CA 0.986 63.792 63.100 -0.489 0.000 0.812 128 P CB 0.009 31.005 31.700 -1.174 0.000 0.792 129 L N 0.425 121.532 121.223 -0.194 0.000 2.141 129 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 129 L C 2.398 179.217 176.870 -0.085 0.000 1.094 129 L CA 1.785 56.552 54.840 -0.122 0.000 0.763 129 L CB -1.214 40.786 42.059 -0.099 0.000 0.908 129 L HN -0.106 nan 8.230 nan 0.000 0.437 130 K N -0.859 119.495 120.400 -0.076 0.000 2.288 130 K HA -0.125 4.195 4.320 -0.000 0.000 0.201 130 K C 1.923 178.502 176.600 -0.036 0.000 1.048 130 K CA 0.677 56.935 56.287 -0.048 0.000 0.956 130 K CB 0.023 32.501 32.500 -0.037 0.000 0.746 130 K HN 0.286 nan 8.250 nan 0.000 0.461 131 K N 0.368 120.743 120.400 -0.042 0.000 2.211 131 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 131 K C 1.778 178.374 176.600 -0.007 0.000 1.050 131 K CA 1.014 57.294 56.287 -0.013 0.000 0.945 131 K CB 0.061 32.561 32.500 0.001 0.000 0.732 131 K HN 0.160 nan 8.250 nan 0.000 0.451 132 M N -0.914 118.671 119.600 -0.025 0.000 2.595 132 M HA 0.075 4.555 4.480 -0.000 0.000 0.248 132 M C 0.943 177.232 176.300 -0.018 0.000 1.119 132 M CA 0.818 56.108 55.300 -0.017 0.000 1.079 132 M CB 0.729 33.311 32.600 -0.031 0.000 1.472 132 M HN 0.385 nan 8.290 nan 0.000 0.501 133 G N 0.344 109.130 108.800 -0.023 0.000 2.184 133 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.206 133 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.206 133 G C 0.008 174.887 174.900 -0.035 0.000 0.995 133 G CA -0.495 44.591 45.100 -0.024 0.000 0.651 133 G HN 0.249 nan 8.290 nan 0.000 0.511 134 V N 1.096 120.983 119.914 -0.044 0.000 2.686 134 V HA 0.626 4.746 4.120 -0.000 0.000 0.295 134 V C 0.905 176.970 176.094 -0.047 0.000 1.055 134 V CA 0.497 62.764 62.300 -0.055 0.000 1.050 134 V CB 1.731 33.515 31.823 -0.065 0.000 0.984 134 V HN 0.420 nan 8.190 nan 0.000 0.482 135 S N 5.260 120.931 115.700 -0.048 0.000 2.448 135 S HA 0.735 5.205 4.470 -0.000 0.000 0.320 135 S C -0.731 173.847 174.600 -0.036 0.000 1.071 135 S CA -0.524 57.654 58.200 -0.036 0.000 1.113 135 S CB -0.276 62.907 63.200 -0.030 0.000 0.972 135 S HN 0.508 nan 8.310 nan 0.000 0.465 136 I N 3.548 124.099 120.570 -0.032 0.000 2.656 136 I HA 0.549 4.719 4.170 -0.000 0.000 0.292 136 I C -0.631 175.474 176.117 -0.020 0.000 1.144 136 I CA -0.719 60.564 61.300 -0.029 0.000 1.038 136 I CB 2.531 40.509 38.000 -0.037 0.000 1.244 136 I HN 0.617 nan 8.210 nan 0.000 0.420 137 S N 2.561 118.253 115.700 -0.014 0.000 2.537 137 S HA 0.938 5.408 4.470 -0.000 0.000 0.270 137 S C -0.679 173.919 174.600 -0.004 0.000 1.142 137 S CA -0.581 57.614 58.200 -0.009 0.000 0.870 137 S CB 2.177 65.373 63.200 -0.007 0.000 1.112 137 S HN 1.015 nan 8.310 nan 0.000 0.466 138 G N 0.471 109.270 108.800 -0.002 0.000 3.135 138 G HA2 0.618 4.578 3.960 -0.000 0.000 0.278 138 G HA3 0.618 4.578 3.960 -0.000 0.000 0.278 138 G C -1.577 173.324 174.900 0.003 0.000 1.302 138 G CA -0.769 44.333 45.100 0.003 0.000 0.880 138 G HN 0.630 nan 8.290 nan 0.000 0.574 139 Q N 1.456 121.259 119.800 0.005 0.000 2.267 139 Q HA 0.476 4.816 4.340 -0.000 0.000 0.255 139 Q C 0.729 176.730 176.000 0.002 0.000 0.923 139 Q CA 0.489 56.294 55.803 0.003 0.000 0.925 139 Q CB 0.562 29.303 28.738 0.005 0.000 1.195 139 Q HN 1.402 nan 8.270 nan 0.000 0.417 140 T N -0.908 113.646 114.554 0.000 0.000 0.541 140 T HA -0.254 4.096 4.350 -0.000 0.000 0.774 140 T C 0.976 175.676 174.700 0.000 0.000 0.992 140 T CA 0.996 63.096 62.100 -0.000 0.000 4.077 140 T CB -0.522 68.346 68.868 -0.000 0.000 2.303 140 T HN 0.804 nan 8.240 nan 0.000 0.398 141 E N 0.654 120.854 120.200 0.000 0.000 2.265 141 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 141 E C 2.025 178.627 176.600 0.002 0.000 0.996 141 E CA 1.302 57.703 56.400 0.001 0.000 0.832 141 E CB -0.175 29.526 29.700 0.002 0.000 0.756 141 E HN 0.641 nan 8.360 nan 0.000 0.491 142 R N 0.631 121.132 120.500 0.002 0.000 2.307 142 R HA -0.014 4.326 4.340 -0.000 0.000 0.199 142 R C -0.227 176.074 176.300 0.002 0.000 1.000 142 R CA 0.709 56.811 56.100 0.003 0.000 1.023 142 R CB -0.293 30.008 30.300 0.002 0.000 0.908 142 R HN 0.176 nan 8.270 nan 0.000 0.473 143 D N 1.189 121.589 120.400 0.001 0.000 2.737 143 D HA -0.154 4.486 4.640 -0.000 0.000 0.238 143 D C -0.833 175.468 176.300 0.001 0.000 1.157 143 D CA 0.727 54.726 54.000 -0.001 0.000 0.694 143 D CB -0.755 40.042 40.800 -0.005 0.000 1.021 143 D HN -0.008 nan 8.370 nan 0.000 0.420 144 L N 0.381 121.607 121.223 0.004 0.000 2.417 144 L HA 0.332 4.671 4.340 -0.000 0.000 0.268 144 L C -1.534 175.344 176.870 0.012 0.000 1.158 144 L CA -1.153 53.691 54.840 0.006 0.000 0.819 144 L CB -0.288 41.774 42.059 0.007 0.000 1.112 144 L HN -0.068 nan 8.230 nan 0.000 0.458 145 P HA 0.127 nan 4.420 nan 0.000 0.270 145 P C -2.526 174.801 177.300 0.044 0.000 1.223 145 P CA -0.909 62.210 63.100 0.032 0.000 0.785 145 P CB -0.134 31.585 31.700 0.031 0.000 0.923 146 P HA 0.141 nan 4.420 nan 0.000 0.275 146 P C -0.838 176.492 177.300 0.049 0.000 1.228 146 P CA 0.410 63.561 63.100 0.086 0.000 0.786 146 P CB 0.677 32.440 31.700 0.105 0.000 0.927 147 L N 2.497 123.748 121.223 0.046 0.000 2.334 147 L HA 0.580 4.920 4.340 -0.000 0.000 0.270 147 L C 0.893 177.779 176.870 0.026 0.000 1.018 147 L CA -0.933 53.920 54.840 0.022 0.000 0.811 147 L CB 1.637 43.699 42.059 0.005 0.000 1.271 147 L HN 0.334 nan 8.230 nan 0.000 0.443 148 R N 1.987 122.494 120.500 0.013 0.000 2.439 148 R HA 0.669 5.009 4.340 -0.000 0.000 0.310 148 R C -1.607 174.694 176.300 0.001 0.000 0.955 148 R CA -0.471 55.638 56.100 0.015 0.000 0.853 148 R CB 1.626 31.933 30.300 0.012 0.000 1.171 148 R HN 0.537 nan 8.270 nan 0.000 0.449 149 L N 3.443 124.666 121.223 -0.000 0.000 2.410 149 L HA 0.577 4.917 4.340 -0.000 0.000 0.270 149 L C -1.513 175.334 176.870 -0.040 0.000 0.983 149 L CA -0.649 54.175 54.840 -0.027 0.000 0.822 149 L CB 1.594 43.625 42.059 -0.046 0.000 1.285 149 L HN 0.576 nan 8.230 nan 0.000 0.409 150 K N 3.760 124.124 120.400 -0.060 0.000 2.502 150 K HA 0.609 4.929 4.320 -0.000 0.000 0.254 150 K C -0.197 176.329 176.600 -0.124 0.000 0.947 150 K CA -0.475 55.760 56.287 -0.086 0.000 0.834 150 K CB 1.695 34.172 32.500 -0.039 0.000 1.112 150 K HN 0.772 nan 8.250 nan 0.000 0.427 151 G N 1.176 109.851 108.800 -0.209 0.000 2.508 151 G HA2 0.423 4.383 3.960 -0.000 0.000 0.278 151 G HA3 0.423 4.383 3.960 -0.000 0.000 0.278 151 G C -0.592 174.227 174.900 -0.136 0.000 1.389 151 G CA -0.314 44.675 45.100 -0.185 0.000 1.050 151 G HN 0.653 nan 8.290 nan 0.000 0.522 152 T N -3.302 111.186 114.554 -0.109 0.000 2.923 152 T HA 0.442 4.792 4.350 -0.000 0.000 0.311 152 T C 0.234 174.900 174.700 -0.057 0.000 1.183 152 T CA -0.896 61.161 62.100 -0.071 0.000 1.020 152 T CB 2.262 71.102 68.868 -0.047 0.000 1.165 152 T HN 0.210 nan 8.240 nan 0.000 0.482 153 K N 0.907 121.284 120.400 -0.038 0.000 2.418 153 K HA 0.135 4.455 4.320 -0.000 0.000 0.195 153 K C 0.242 176.833 176.600 -0.014 0.000 1.035 153 K CA 0.273 56.546 56.287 -0.023 0.000 1.003 153 K CB -0.063 32.431 32.500 -0.010 0.000 0.793 153 K HN 0.540 nan 8.250 nan 0.000 0.494 154 N N 1.275 119.966 118.700 -0.016 0.000 2.761 154 N HA 0.113 4.853 4.740 -0.000 0.000 0.317 154 N C -0.288 175.216 175.510 -0.010 0.000 1.546 154 N CA -0.100 52.945 53.050 -0.008 0.000 1.015 154 N CB 0.617 39.101 38.487 -0.006 0.000 1.343 154 N HN 0.066 nan 8.380 nan 0.000 0.504 155 L N 1.278 122.494 121.223 -0.013 0.000 2.499 155 L HA 0.089 4.429 4.340 -0.000 0.000 0.273 155 L C 0.783 177.653 176.870 0.000 0.000 1.195 155 L CA 0.338 55.170 54.840 -0.013 0.000 0.882 155 L CB 0.545 42.595 42.059 -0.016 0.000 1.133 155 L HN 0.028 nan 8.230 nan 0.000 0.483 156 R N 5.415 125.918 120.500 0.004 0.000 2.368 156 R HA 0.372 4.712 4.340 -0.000 0.000 0.302 156 R C -2.228 174.089 176.300 0.027 0.000 1.002 156 R CA -1.812 54.301 56.100 0.021 0.000 0.929 156 R CB 0.922 31.237 30.300 0.025 0.000 1.073 156 R HN 0.408 nan 8.270 nan 0.000 0.464 157 P HA -0.047 nan 4.420 nan 0.000 0.269 157 P C -0.616 176.713 177.300 0.049 0.000 1.217 157 P CA -0.072 63.046 63.100 0.030 0.000 0.783 157 P CB 0.655 32.382 31.700 0.045 0.000 0.898 158 I N 1.914 122.467 120.570 -0.028 0.000 2.412 158 I HA 0.339 4.509 4.170 -0.000 0.000 0.296 158 I C -0.730 175.310 176.117 -0.128 0.000 0.987 158 I CA -0.856 60.440 61.300 -0.006 0.000 1.180 158 I CB 0.957 38.937 38.000 -0.033 0.000 1.340 158 I HN 0.257 nan 8.210 nan 0.000 0.455 159 H N 6.914 126.030 119.070 0.077 0.000 2.887 159 H HA 0.464 5.020 4.556 -0.000 0.000 0.300 159 H C -1.743 173.685 175.328 0.167 0.000 1.038 159 H CA -0.234 55.866 56.048 0.086 0.000 1.352 159 H CB 0.936 30.730 29.762 0.052 0.000 1.473 159 H HN 0.569 nan 8.280 nan 0.000 0.503 160 Y N 1.290 121.608 120.300 0.030 0.000 2.470 160 Y HA 0.305 4.855 4.550 -0.000 0.000 0.341 160 Y C -1.012 174.886 175.900 -0.004 0.000 1.021 160 Y CA -0.800 57.309 58.100 0.016 0.000 1.025 160 Y CB 1.705 40.164 38.460 -0.001 0.000 1.266 160 Y HN 0.425 nan 8.280 nan 0.000 0.448 161 E N 5.596 125.489 120.200 -0.511 0.000 2.055 161 E HA 0.214 4.564 4.350 -0.000 0.000 0.274 161 E C -1.321 174.896 176.600 -0.639 0.000 0.949 161 E CA -0.647 55.509 56.400 -0.407 0.000 0.775 161 E CB 1.000 30.523 29.700 -0.297 0.000 1.097 161 E HN 0.632 nan 8.360 nan 0.000 0.404 162 L N 6.825 127.865 121.223 -0.304 0.000 2.462 162 L HA 0.050 4.390 4.340 -0.000 0.000 0.272 162 L C -1.084 175.699 176.870 -0.146 0.000 1.166 162 L CA -0.482 54.271 54.840 -0.146 0.000 0.880 162 L CB 0.266 42.340 42.059 0.025 0.000 1.142 162 L HN 0.358 nan 8.230 nan 0.000 0.473 163 P HA 0.015 nan 4.420 nan 0.000 0.241 163 P C -0.141 177.141 177.300 -0.030 0.000 1.191 163 P CA 0.768 63.825 63.100 -0.072 0.000 0.771 163 P CB 0.189 31.864 31.700 -0.043 0.000 0.929 164 I N -5.515 115.051 120.570 -0.008 0.000 2.865 164 I HA 0.713 4.883 4.170 -0.000 0.000 0.302 164 I C -0.487 175.628 176.117 -0.003 0.000 1.140 164 I CA -1.934 59.365 61.300 -0.001 0.000 1.021 164 I CB 2.216 40.225 38.000 0.016 0.000 1.233 164 I HN -0.390 nan 8.210 nan 0.000 0.427 165 A N 3.044 125.860 122.820 -0.007 0.000 3.048 165 A HA 0.402 4.722 4.320 -0.000 0.000 0.264 165 A C 0.307 177.896 177.584 0.007 0.000 1.796 165 A CA 0.054 52.086 52.037 -0.009 0.000 1.445 165 A CB -0.922 18.073 19.000 -0.009 0.000 1.074 165 A HN 0.645 nan 8.150 nan 0.000 0.621 166 S N 0.768 116.477 115.700 0.015 0.000 2.456 166 S HA 0.553 5.023 4.470 -0.000 0.000 0.316 166 S C 1.071 175.686 174.600 0.025 0.000 1.089 166 S CA -0.003 58.212 58.200 0.025 0.000 1.101 166 S CB 1.197 64.416 63.200 0.033 0.000 0.995 166 S HN 0.904 nan 8.310 nan 0.000 0.468 167 A N 4.396 127.233 122.820 0.029 0.000 1.970 167 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 167 A C 1.969 179.574 177.584 0.035 0.000 1.170 167 A CA 0.924 52.978 52.037 0.028 0.000 0.645 167 A CB -0.498 18.525 19.000 0.038 0.000 0.816 167 A HN 0.890 nan 8.150 nan 0.000 0.447 168 Q N -0.419 119.407 119.800 0.043 0.000 2.084 168 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 168 Q C 2.109 178.127 176.000 0.030 0.000 0.978 168 Q CA 1.672 57.501 55.803 0.043 0.000 0.844 168 Q CB -0.311 28.449 28.738 0.035 0.000 0.898 168 Q HN 0.488 nan 8.270 nan 0.000 0.426 169 V N 1.387 121.316 119.914 0.025 0.000 2.358 169 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 169 V C 2.312 178.410 176.094 0.007 0.000 1.047 169 V CA 1.921 64.231 62.300 0.017 0.000 1.035 169 V CB -0.546 31.302 31.823 0.042 0.000 0.658 169 V HN 0.349 nan 8.190 nan 0.000 0.452 170 K N 0.280 120.687 120.400 0.011 0.000 2.032 170 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 170 K C 2.295 178.856 176.600 -0.065 0.000 1.048 170 K CA 2.150 58.431 56.287 -0.011 0.000 0.927 170 K CB -0.281 32.212 32.500 -0.012 0.000 0.712 170 K HN 0.448 nan 8.250 nan 0.000 0.441 171 S N 0.685 116.344 115.700 -0.068 0.000 2.368 171 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 171 S C 2.084 176.595 174.600 -0.149 0.000 1.030 171 S CA 1.152 59.246 58.200 -0.177 0.000 0.999 171 S CB -0.376 62.802 63.200 -0.038 0.000 0.844 171 S HN 0.554 nan 8.310 nan 0.000 0.459 172 A N 1.572 124.413 122.820 0.036 0.000 1.883 172 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 172 A C 2.030 179.635 177.584 0.035 0.000 1.186 172 A CA 1.395 53.499 52.037 0.112 0.000 0.624 172 A CB -0.775 18.250 19.000 0.042 0.000 0.822 172 A HN 0.373 nan 8.150 nan 0.000 0.444 173 L N -0.861 120.338 121.223 -0.039 0.000 2.131 173 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 173 L C 2.695 179.520 176.870 -0.074 0.000 1.092 173 L CA 1.718 56.521 54.840 -0.061 0.000 0.759 173 L CB -0.753 41.263 42.059 -0.070 0.000 0.903 173 L HN 0.403 nan 8.230 nan 0.000 0.435 174 M N -2.273 117.238 119.600 -0.148 0.000 2.132 174 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 174 M C 2.282 178.475 176.300 -0.179 0.000 1.065 174 M CA 1.772 56.952 55.300 -0.201 0.000 1.122 174 M CB -0.424 31.986 32.600 -0.316 0.000 1.365 174 M HN 0.106 nan 8.290 nan 0.000 0.411 175 F N 0.179 120.092 119.950 -0.062 0.000 2.171 175 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 175 F C 2.622 178.381 175.800 -0.068 0.000 1.090 175 F CA 0.876 58.817 58.000 -0.097 0.000 1.293 175 F CB -0.492 38.422 39.000 -0.144 0.000 1.013 175 F HN 0.151 nan 8.300 nan 0.000 0.486 176 A N 0.252 123.135 122.820 0.106 0.000 1.873 176 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 176 A C 2.384 179.979 177.584 0.018 0.000 1.186 176 A CA 1.564 53.624 52.037 0.037 0.000 0.616 176 A CB -1.308 17.690 19.000 -0.003 0.000 0.823 176 A HN 0.299 nan 8.150 nan 0.000 0.442 177 A N -0.695 122.123 122.820 -0.002 0.000 1.948 177 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 177 A C 1.977 179.570 177.584 0.015 0.000 1.177 177 A CA 1.834 53.865 52.037 -0.009 0.000 0.636 177 A CB -0.592 18.388 19.000 -0.033 0.000 0.815 177 A HN 0.432 nan 8.150 nan 0.000 0.449 178 L N -0.491 120.755 121.223 0.037 0.000 2.261 178 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 178 L C 2.423 179.328 176.870 0.058 0.000 1.114 178 L CA 2.036 56.915 54.840 0.066 0.000 0.777 178 L CB -0.651 41.474 42.059 0.110 0.000 0.910 178 L HN 0.552 nan 8.230 nan 0.000 0.440 179 Q N -1.620 118.206 119.800 0.043 0.000 2.391 179 Q HA 0.291 4.631 4.340 -0.000 0.000 0.211 179 Q C 0.886 176.897 176.000 0.018 0.000 0.908 179 Q CA 0.343 56.164 55.803 0.029 0.000 0.920 179 Q CB 0.191 28.939 28.738 0.017 0.000 1.056 179 Q HN 0.427 nan 8.270 nan 0.000 0.523 180 A N 1.705 124.533 122.820 0.014 0.000 2.366 180 A HA 0.209 4.529 4.320 -0.000 0.000 0.249 180 A C -0.301 177.293 177.584 0.016 0.000 1.084 180 A CA -0.196 51.847 52.037 0.010 0.000 0.794 180 A CB 0.375 19.378 19.000 0.005 0.000 1.034 180 A HN 0.041 nan 8.150 nan 0.000 0.491 181 K N 1.126 121.537 120.400 0.017 0.000 2.264 181 K HA 0.541 4.861 4.320 -0.000 0.000 0.277 181 K C 0.227 176.842 176.600 0.026 0.000 1.067 181 K CA 0.471 56.770 56.287 0.021 0.000 0.900 181 K CB 0.923 33.434 32.500 0.019 0.000 1.124 181 K HN 1.299 nan 8.250 nan 0.000 0.469 182 G N 1.992 110.808 108.800 0.026 0.000 2.331 182 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.402 182 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.402 182 G C -1.625 173.291 174.900 0.026 0.000 1.275 182 G CA -0.958 44.163 45.100 0.034 0.000 1.003 182 G HN 0.600 nan 8.290 nan 0.000 0.500 183 E N -0.079 120.142 120.200 0.036 0.000 2.174 183 E HA 0.639 4.989 4.350 -0.000 0.000 0.282 183 E C -0.305 176.247 176.600 -0.081 0.000 0.992 183 E CA -0.470 55.933 56.400 0.004 0.000 0.803 183 E CB 0.960 30.678 29.700 0.030 0.000 1.090 183 E HN 0.443 nan 8.360 nan 0.000 0.396 184 S N 2.794 118.409 115.700 -0.142 0.000 2.509 184 S HA 0.459 4.929 4.470 -0.000 0.000 0.297 184 S C -0.751 173.687 174.600 -0.270 0.000 1.118 184 S CA -0.824 57.201 58.200 -0.292 0.000 1.074 184 S CB 1.644 64.750 63.200 -0.157 0.000 1.038 184 S HN 0.536 nan 8.310 nan 0.000 0.498 185 V N 1.270 120.955 119.914 -0.382 0.000 2.483 185 V HA 0.698 4.818 4.120 -0.000 0.000 0.297 185 V C -1.058 174.982 176.094 -0.091 0.000 1.027 185 V CA -0.670 61.530 62.300 -0.168 0.000 0.855 185 V CB 0.872 32.643 31.823 -0.086 0.000 0.995 185 V HN 0.814 nan 8.190 nan 0.000 0.424 186 I N 6.343 126.889 120.570 -0.040 0.000 2.382 186 I HA 0.510 4.680 4.170 -0.000 0.000 0.286 186 I C -0.465 175.646 176.117 -0.009 0.000 1.002 186 I CA -0.467 60.837 61.300 0.007 0.000 1.135 186 I CB 1.870 39.874 38.000 0.005 0.000 1.288 186 I HN 0.536 nan 8.210 nan 0.000 0.448 187 I N 6.215 126.775 120.570 -0.017 0.000 2.312 187 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 187 I C 0.338 176.406 176.117 -0.082 0.000 1.008 187 I CA -0.541 60.725 61.300 -0.057 0.000 1.226 187 I CB 0.846 38.807 38.000 -0.066 0.000 1.371 187 I HN 0.558 nan 8.210 nan 0.000 0.468 188 E N 5.632 125.765 120.200 -0.112 0.000 2.383 188 E HA 0.037 4.387 4.350 -0.000 0.000 0.264 188 E C 0.592 177.088 176.600 -0.173 0.000 1.050 188 E CA -0.248 56.069 56.400 -0.138 0.000 0.896 188 E CB 1.643 31.227 29.700 -0.193 0.000 0.982 188 E HN 0.495 nan 8.360 nan 0.000 0.424 189 K N 1.310 121.626 120.400 -0.139 0.000 2.098 189 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 189 K C 0.131 176.635 176.600 -0.160 0.000 1.051 189 K CA 1.074 57.283 56.287 -0.129 0.000 0.957 189 K CB 0.488 32.935 32.500 -0.087 0.000 0.738 189 K HN 0.362 nan 8.250 nan 0.000 0.447 190 E N -0.655 119.445 120.200 -0.166 0.000 2.408 190 E HA 0.153 4.503 4.350 -0.000 0.000 0.275 190 E C -1.375 175.106 176.600 -0.198 0.000 0.935 190 E CA -0.802 55.495 56.400 -0.170 0.000 0.775 190 E CB 1.002 30.672 29.700 -0.050 0.000 1.277 190 E HN 0.059 nan 8.360 nan 0.000 0.455 191 Y N 0.892 121.181 120.300 -0.019 0.000 2.511 191 Y HA 0.146 4.696 4.550 -0.000 0.000 0.332 191 Y C 1.408 177.292 175.900 -0.027 0.000 1.177 191 Y CA 0.529 58.614 58.100 -0.024 0.000 1.422 191 Y CB 0.532 38.976 38.460 -0.026 0.000 1.271 191 Y HN 0.320 nan 8.280 nan 0.000 0.550 192 T N 0.845 115.459 114.554 0.100 0.000 2.887 192 T HA 0.480 4.830 4.350 -0.000 0.000 0.292 192 T C -0.539 174.161 174.700 0.001 0.000 1.087 192 T CA -1.590 60.534 62.100 0.040 0.000 1.009 192 T CB 1.257 70.135 68.868 0.017 0.000 1.203 192 T HN 0.658 nan 8.240 nan 0.000 0.518 193 R N 1.871 122.342 120.500 -0.047 0.000 2.494 193 R HA -0.021 4.319 4.340 -0.000 0.000 0.291 193 R C -0.305 175.869 176.300 -0.211 0.000 0.953 193 R CA 0.030 56.012 56.100 -0.197 0.000 1.098 193 R CB -0.489 29.679 30.300 -0.221 0.000 0.911 193 R HN 0.837 nan 8.270 nan 0.000 0.407 194 N N 2.045 120.582 118.700 -0.272 0.000 2.376 194 N HA -0.022 4.718 4.740 -0.000 0.000 0.249 194 N C 0.049 175.501 175.510 -0.096 0.000 1.140 194 N CA -0.279 52.692 53.050 -0.132 0.000 0.870 194 N CB -0.286 38.165 38.487 -0.060 0.000 1.124 194 N HN 0.717 nan 8.380 nan 0.000 0.505 195 H N -0.418 118.690 119.070 0.063 0.000 2.387 195 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 195 H C 1.222 176.613 175.328 0.105 0.000 1.090 195 H CA 2.035 58.132 56.048 0.081 0.000 1.332 195 H CB 0.259 30.085 29.762 0.107 0.000 1.386 195 H HN 0.236 nan 8.280 nan 0.000 0.516 196 T N 0.567 115.245 114.554 0.207 0.000 2.746 196 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 196 T C 1.723 176.493 174.700 0.117 0.000 1.039 196 T CA 1.543 63.760 62.100 0.195 0.000 1.142 196 T CB -0.136 68.719 68.868 -0.022 0.000 0.866 196 T HN 0.390 nan 8.240 nan 0.000 0.444 197 E N 1.327 121.553 120.200 0.043 0.000 2.058 197 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 197 E C 2.163 178.763 176.600 -0.000 0.000 0.997 197 E CA 1.261 57.669 56.400 0.013 0.000 0.801 197 E CB -0.293 29.410 29.700 0.005 0.000 0.746 197 E HN 0.370 nan 8.360 nan 0.000 0.450 198 D N -0.120 120.290 120.400 0.017 0.000 2.104 198 D HA -0.147 4.492 4.640 -0.000 0.000 0.194 198 D C 1.919 178.194 176.300 -0.042 0.000 0.994 198 D CA 1.213 55.216 54.000 0.005 0.000 0.830 198 D CB -0.195 40.639 40.800 0.056 0.000 0.959 198 D HN 0.205 nan 8.370 nan 0.000 0.452 199 M N -0.226 119.332 119.600 -0.071 0.000 2.319 199 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 199 M C 2.068 178.021 176.300 -0.579 0.000 1.068 199 M CA 0.414 55.554 55.300 -0.266 0.000 1.118 199 M CB -0.029 32.380 32.600 -0.318 0.000 1.395 199 M HN 0.016 nan 8.290 nan 0.000 0.435 200 L N 0.815 121.771 121.223 -0.445 0.000 2.083 200 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 200 L C 2.213 179.003 176.870 -0.133 0.000 1.083 200 L CA 1.988 56.679 54.840 -0.248 0.000 0.752 200 L CB -0.566 41.525 42.059 0.053 0.000 0.899 200 L HN 0.301 nan 8.230 nan 0.000 0.433 201 Q N -1.047 118.678 119.800 -0.124 0.000 2.079 201 Q HA -0.250 4.090 4.340 -0.000 0.000 0.200 201 Q C 2.243 178.170 176.000 -0.122 0.000 0.974 201 Q CA 1.638 57.359 55.803 -0.138 0.000 0.840 201 Q CB -0.284 28.388 28.738 -0.110 0.000 0.898 201 Q HN 0.662 nan 8.270 nan 0.000 0.430 202 Q N 0.024 119.765 119.800 -0.098 0.000 2.181 202 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 202 Q C 0.637 176.522 176.000 -0.191 0.000 0.980 202 Q CA 1.061 56.790 55.803 -0.123 0.000 0.862 202 Q CB 0.126 28.807 28.738 -0.096 0.000 0.905 202 Q HN 0.307 nan 8.270 nan 0.000 0.429 203 F N -0.779 119.030 119.950 -0.234 0.000 2.664 203 F HA 0.289 4.816 4.527 -0.000 0.000 0.301 203 F C 1.359 177.115 175.800 -0.075 0.000 1.126 203 F CA 0.662 58.576 58.000 -0.143 0.000 1.373 203 F CB 0.694 39.602 39.000 -0.152 0.000 1.042 203 F HN 0.234 nan 8.300 nan 0.000 0.535 204 G N -0.088 108.707 108.800 -0.008 0.000 2.176 204 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 204 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 204 G C 0.801 175.672 174.900 -0.050 0.000 0.979 204 G CA -0.147 44.937 45.100 -0.026 0.000 0.641 204 G HN 0.751 nan 8.290 nan 0.000 0.530 205 G N -1.047 107.728 108.800 -0.040 0.000 2.580 205 G HA2 0.599 4.559 3.960 -0.000 0.000 0.278 205 G HA3 0.599 4.559 3.960 -0.000 0.000 0.278 205 G C -0.590 174.160 174.900 -0.250 0.000 1.212 205 G CA -0.292 44.814 45.100 0.010 0.000 0.939 205 G HN 0.540 nan 8.290 nan 0.000 0.513 206 H N -1.538 117.564 119.070 0.053 0.000 2.768 206 H HA 0.663 5.219 4.556 -0.000 0.000 0.371 206 H C 0.045 175.390 175.328 0.028 0.000 1.151 206 H CA -0.578 55.491 56.048 0.034 0.000 1.165 206 H CB 2.138 31.917 29.762 0.029 0.000 1.722 206 H HN 0.651 nan 8.280 nan 0.000 0.543 207 L N -1.193 120.102 121.223 0.120 0.000 2.671 207 L HA 0.775 5.115 4.340 -0.000 0.000 0.259 207 L C -1.301 175.605 176.870 0.060 0.000 1.021 207 L CA -0.840 54.042 54.840 0.070 0.000 0.871 207 L CB 2.353 44.432 42.059 0.034 0.000 1.472 207 L HN 0.543 nan 8.230 nan 0.000 0.410 208 S N 0.577 116.302 115.700 0.041 0.000 2.519 208 S HA 0.808 5.278 4.470 -0.000 0.000 0.309 208 S C -1.115 173.502 174.600 0.028 0.000 1.100 208 S CA -0.419 57.803 58.200 0.036 0.000 1.059 208 S CB 1.721 64.941 63.200 0.033 0.000 1.008 208 S HN 0.546 nan 8.310 nan 0.000 0.478 209 V N 4.661 124.593 119.914 0.031 0.000 2.378 209 V HA 0.441 4.561 4.120 -0.000 0.000 0.288 209 V C -0.774 175.347 176.094 0.044 0.000 1.016 209 V CA -0.691 61.632 62.300 0.038 0.000 0.840 209 V CB 1.563 33.412 31.823 0.043 0.000 0.994 209 V HN 0.899 nan 8.190 nan 0.000 0.431 210 D N 4.161 124.588 120.400 0.046 0.000 2.432 210 D HA 0.564 5.204 4.640 -0.000 0.000 0.265 210 D C 0.728 177.068 176.300 0.067 0.000 1.160 210 D CA 1.040 55.068 54.000 0.047 0.000 0.911 210 D CB 0.842 41.661 40.800 0.032 0.000 1.052 210 D HN 0.801 nan 8.370 nan 0.000 0.508 211 G N 3.910 112.778 108.800 0.113 0.000 2.536 211 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.280 211 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.280 211 G C 0.872 175.898 174.900 0.209 0.000 1.152 211 G CA 0.341 45.561 45.100 0.201 0.000 0.970 211 G HN 0.491 nan 8.290 nan 0.000 0.549 212 K N 0.899 121.301 120.400 0.003 0.000 2.459 212 K HA 0.129 4.449 4.320 -0.000 0.000 0.193 212 K C 1.107 177.656 176.600 -0.084 0.000 1.030 212 K CA 0.344 56.514 56.287 -0.196 0.000 1.026 212 K CB 0.205 32.481 32.500 -0.373 0.000 0.809 212 K HN 0.312 nan 8.250 nan 0.000 0.504 213 K N 2.055 122.441 120.400 -0.024 0.000 2.276 213 K HA 0.233 4.553 4.320 -0.000 0.000 0.285 213 K C -0.894 175.707 176.600 0.002 0.000 1.062 213 K CA -0.152 56.127 56.287 -0.015 0.000 0.918 213 K CB 0.522 33.020 32.500 -0.003 0.000 1.055 213 K HN -0.012 nan 8.250 nan 0.000 0.477 214 I N 3.539 124.104 120.570 -0.008 0.000 2.362 214 I HA 0.157 4.327 4.170 -0.000 0.000 0.289 214 I C -0.266 175.841 176.117 -0.016 0.000 0.994 214 I CA -0.623 60.675 61.300 -0.005 0.000 1.158 214 I CB 2.067 40.060 38.000 -0.010 0.000 1.315 214 I HN 0.443 nan 8.210 nan 0.000 0.451 215 T N 5.883 120.433 114.554 -0.007 0.000 2.770 215 T HA 0.498 4.848 4.350 -0.000 0.000 0.283 215 T C -0.270 174.427 174.700 -0.005 0.000 0.988 215 T CA -0.463 61.627 62.100 -0.015 0.000 0.957 215 T CB 1.606 70.474 68.868 -0.000 0.000 0.930 215 T HN 0.175 nan 8.240 nan 0.000 0.443 216 V N 3.687 123.589 119.914 -0.020 0.000 2.487 216 V HA 0.447 4.567 4.120 -0.000 0.000 0.298 216 V C -0.222 175.873 176.094 0.002 0.000 1.028 216 V CA -0.906 61.394 62.300 0.001 0.000 0.860 216 V CB 1.793 33.610 31.823 -0.011 0.000 0.991 216 V HN 0.696 nan 8.190 nan 0.000 0.427 217 Q N 2.399 122.215 119.800 0.027 0.000 2.243 217 Q HA 0.708 5.048 4.340 -0.000 0.000 0.252 217 Q C 0.010 176.031 176.000 0.034 0.000 0.909 217 Q CA 0.206 56.023 55.803 0.025 0.000 0.922 217 Q CB 1.764 30.518 28.738 0.027 0.000 1.215 217 Q HN 0.974 nan 8.270 nan 0.000 0.427 218 G N 3.349 112.166 108.800 0.027 0.000 2.574 218 G HA2 0.702 4.662 3.960 -0.000 0.000 0.299 218 G HA3 0.702 4.662 3.960 -0.000 0.000 0.299 218 G C -2.798 172.120 174.900 0.030 0.000 1.298 218 G CA -1.458 43.662 45.100 0.033 0.000 0.952 218 G HN 0.602 nan 8.290 nan 0.000 0.477 219 P HA 0.357 nan 4.420 nan 0.000 0.282 219 P C -1.091 176.243 177.300 0.057 0.000 1.259 219 P CA -0.349 62.778 63.100 0.044 0.000 0.826 219 P CB 2.037 33.760 31.700 0.038 0.000 1.064 220 Q N 0.052 119.897 119.800 0.076 0.000 2.399 220 Q HA 0.517 4.857 4.340 -0.000 0.000 0.276 220 Q C -0.637 175.425 176.000 0.103 0.000 1.098 220 Q CA -0.954 54.908 55.803 0.098 0.000 0.827 220 Q CB 2.708 31.524 28.738 0.130 0.000 1.386 220 Q HN 0.336 nan 8.270 nan 0.000 0.443 221 K N 1.717 122.184 120.400 0.112 0.000 2.292 221 K HA 0.534 4.854 4.320 -0.000 0.000 0.257 221 K C -1.343 175.342 176.600 0.140 0.000 0.940 221 K CA -0.334 56.020 56.287 0.110 0.000 0.811 221 K CB 0.889 33.441 32.500 0.088 0.000 1.120 221 K HN 0.505 nan 8.250 nan 0.000 0.428 222 L N 2.125 123.445 121.223 0.161 0.000 2.332 222 L HA 0.547 4.887 4.340 -0.000 0.000 0.269 222 L C -0.219 176.768 176.870 0.196 0.000 1.016 222 L CA -1.070 53.897 54.840 0.213 0.000 0.809 222 L CB 2.211 44.447 42.059 0.296 0.000 1.280 222 L HN 0.673 nan 8.230 nan 0.000 0.447 223 T N 0.065 114.743 114.554 0.206 0.000 2.841 223 T HA 0.410 4.760 4.350 -0.000 0.000 0.283 223 T C 0.216 174.994 174.700 0.131 0.000 1.000 223 T CA -0.543 61.637 62.100 0.133 0.000 0.977 223 T CB 1.749 70.651 68.868 0.056 0.000 0.979 223 T HN 0.775 nan 8.240 nan 0.000 0.446 224 G N 2.625 111.495 108.800 0.116 0.000 2.474 224 G HA2 0.363 4.323 3.960 -0.000 0.000 0.233 224 G HA3 0.363 4.323 3.960 -0.000 0.000 0.233 224 G C -0.474 174.338 174.900 -0.146 0.000 1.278 224 G CA -0.094 45.057 45.100 0.085 0.000 0.861 224 G HN 0.494 nan 8.290 nan 0.000 0.567 225 Q N -0.296 119.323 119.800 -0.301 0.000 2.544 225 Q HA 0.360 4.700 4.340 -0.000 0.000 0.291 225 Q C -0.663 175.233 176.000 -0.173 0.000 1.068 225 Q CA -0.948 54.601 55.803 -0.424 0.000 0.785 225 Q CB 2.250 30.388 28.738 -0.999 0.000 1.481 225 Q HN 0.659 nan 8.270 nan 0.000 0.430 226 K N 1.217 121.549 120.400 -0.113 0.000 2.264 226 K HA 0.427 4.747 4.320 -0.000 0.000 0.277 226 K C -1.117 175.504 176.600 0.034 0.000 1.067 226 K CA -0.229 56.089 56.287 0.051 0.000 0.900 226 K CB 0.564 33.080 32.500 0.027 0.000 1.124 226 K HN 0.306 nan 8.250 nan 0.000 0.469 227 V N 5.585 125.586 119.914 0.145 0.000 2.370 227 V HA 0.222 4.342 4.120 -0.000 0.000 0.283 227 V C -0.279 175.935 176.094 0.200 0.000 1.023 227 V CA -0.934 61.447 62.300 0.134 0.000 0.857 227 V CB 1.353 33.285 31.823 0.181 0.000 0.985 227 V HN 0.589 nan 8.190 nan 0.000 0.443 228 V N 3.825 123.803 119.914 0.106 0.000 2.328 228 V HA 0.579 4.699 4.120 -0.000 0.000 0.278 228 V C -0.147 175.984 176.094 0.062 0.000 1.021 228 V CA -0.710 61.645 62.300 0.093 0.000 0.838 228 V CB 1.138 32.958 31.823 -0.006 0.000 0.999 228 V HN 0.458 nan 8.190 nan 0.000 0.447 229 V N 8.235 128.190 119.914 0.070 0.000 2.488 229 V HA 0.327 4.447 4.120 -0.000 0.000 0.277 229 V C -1.362 174.740 176.094 0.014 0.000 1.046 229 V CA -0.874 61.444 62.300 0.030 0.000 0.986 229 V CB 1.018 32.852 31.823 0.018 0.000 0.989 229 V HN 0.863 nan 8.190 nan 0.000 0.475 230 P HA 0.270 nan 4.420 nan 0.000 0.279 230 P C 0.192 177.488 177.300 -0.007 0.000 1.252 230 P CA -0.160 62.941 63.100 0.000 0.000 0.811 230 P CB 1.061 32.763 31.700 0.003 0.000 1.035 231 G N 1.050 109.851 108.800 0.001 0.000 2.484 231 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.235 231 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.235 231 G C -0.215 174.683 174.900 -0.003 0.000 1.282 231 G CA -0.089 45.009 45.100 -0.003 0.000 0.857 231 G HN 0.502 nan 8.290 nan 0.000 0.571 232 D N 1.295 121.684 120.400 -0.019 0.000 2.325 232 D HA 0.117 4.757 4.640 -0.000 0.000 0.251 232 D C 1.558 177.876 176.300 0.031 0.000 1.196 232 D CA -0.607 53.392 54.000 -0.002 0.000 0.866 232 D CB 1.057 41.845 40.800 -0.019 0.000 1.101 232 D HN 0.072 nan 8.370 nan 0.000 0.476 233 I N 2.386 122.980 120.570 0.040 0.000 2.361 233 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 233 I C 2.397 178.527 176.117 0.021 0.000 1.133 233 I CA 0.855 62.179 61.300 0.041 0.000 1.413 233 I CB -0.665 37.359 38.000 0.040 0.000 1.073 233 I HN 0.263 nan 8.210 nan 0.000 0.424 234 S N -0.060 115.658 115.700 0.030 0.000 2.423 234 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 234 S C 2.179 176.816 174.600 0.062 0.000 1.014 234 S CA 1.409 59.613 58.200 0.007 0.000 0.965 234 S CB -0.244 62.996 63.200 0.068 0.000 0.785 234 S HN 0.471 nan 8.310 nan 0.000 0.495 235 S N 1.299 117.086 115.700 0.144 0.000 2.404 235 S HA 0.198 4.668 4.470 -0.000 0.000 0.223 235 S C 2.261 177.036 174.600 0.292 0.000 1.040 235 S CA 0.594 58.978 58.200 0.306 0.000 0.957 235 S CB -0.298 62.912 63.200 0.016 0.000 0.826 235 S HN 0.567 nan 8.310 nan 0.000 0.491 236 A N 1.838 124.768 122.820 0.183 0.000 1.978 236 A HA 0.077 4.397 4.320 -0.000 0.000 0.220 236 A C 2.288 179.948 177.584 0.126 0.000 1.170 236 A CA 1.619 53.797 52.037 0.236 0.000 0.636 236 A CB -0.974 18.124 19.000 0.163 0.000 0.810 236 A HN 0.495 nan 8.150 nan 0.000 0.448 237 A N -0.844 121.950 122.820 -0.043 0.000 1.948 237 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 237 A C 1.904 179.302 177.584 -0.310 0.000 1.177 237 A CA 1.608 53.519 52.037 -0.210 0.000 0.636 237 A CB -0.823 17.953 19.000 -0.373 0.000 0.815 237 A HN 0.524 nan 8.150 nan 0.000 0.449 238 F N -2.062 117.785 119.950 -0.172 0.000 2.234 238 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 238 F C 2.107 177.744 175.800 -0.270 0.000 1.087 238 F CA 1.126 58.934 58.000 -0.319 0.000 1.340 238 F CB -0.476 38.209 39.000 -0.524 0.000 1.031 238 F HN 0.387 nan 8.300 nan 0.000 0.500 239 W N -0.349 121.110 121.300 0.265 0.000 2.523 239 W HA 0.057 4.717 4.660 -0.000 0.000 0.278 239 W C 2.049 178.625 176.519 0.094 0.000 1.236 239 W CA -0.031 57.412 57.345 0.163 0.000 1.306 239 W CB -0.456 29.097 29.460 0.154 0.000 1.101 239 W HN -0.092 nan 8.180 nan 0.000 0.577 240 L N -0.149 121.224 121.223 0.251 0.000 2.012 240 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 240 L C 2.178 179.112 176.870 0.106 0.000 1.073 240 L CA 1.070 55.996 54.840 0.144 0.000 0.748 240 L CB -1.141 40.960 42.059 0.069 0.000 0.891 240 L HN -0.093 nan 8.230 nan 0.000 0.431 241 V N -0.213 119.741 119.914 0.067 0.000 2.379 241 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 241 V C 2.729 178.880 176.094 0.096 0.000 1.044 241 V CA 1.563 63.892 62.300 0.048 0.000 1.036 241 V CB -0.821 30.999 31.823 -0.005 0.000 0.664 241 V HN 0.459 nan 8.190 nan 0.000 0.453 242 A N 0.764 123.680 122.820 0.160 0.000 1.940 242 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 242 A C 2.360 180.041 177.584 0.162 0.000 1.176 242 A CA 2.074 54.230 52.037 0.198 0.000 0.631 242 A CB -1.138 18.084 19.000 0.371 0.000 0.814 242 A HN 0.549 nan 8.150 nan 0.000 0.446 243 G N -0.904 107.999 108.800 0.171 0.000 2.484 243 G HA2 0.034 3.994 3.960 -0.000 0.000 0.218 243 G HA3 0.034 3.994 3.960 -0.000 0.000 0.218 243 G C 1.449 176.404 174.900 0.091 0.000 1.130 243 G CA 0.837 46.013 45.100 0.126 0.000 0.784 243 G HN 0.443 nan 8.290 nan 0.000 0.543 244 L N -0.653 120.618 121.223 0.080 0.000 2.249 244 L HA 0.243 4.583 4.340 -0.000 0.000 0.207 244 L C 2.402 179.302 176.870 0.050 0.000 1.090 244 L CA 0.050 54.925 54.840 0.058 0.000 0.802 244 L CB 0.002 42.089 42.059 0.046 0.000 0.947 244 L HN 0.086 nan 8.230 nan 0.000 0.453 245 I N -0.065 120.537 120.570 0.054 0.000 2.585 245 I HA 0.056 4.226 4.170 -0.000 0.000 0.254 245 I C 1.422 177.564 176.117 0.042 0.000 1.129 245 I CA 0.173 61.499 61.300 0.044 0.000 1.455 245 I CB -0.194 37.833 38.000 0.044 0.000 1.111 245 I HN 0.007 nan 8.210 nan 0.000 0.433 246 A N 2.620 125.469 122.820 0.049 0.000 2.388 246 A HA 0.454 4.774 4.320 -0.000 0.000 0.257 246 A C -2.287 175.315 177.584 0.030 0.000 1.095 246 A CA -1.096 50.960 52.037 0.033 0.000 0.791 246 A CB -0.609 18.407 19.000 0.027 0.000 1.029 246 A HN 0.033 nan 8.150 nan 0.000 0.489 247 P HA 0.066 nan 4.420 nan 0.000 0.274 247 P C -0.722 176.603 177.300 0.041 0.000 1.231 247 P CA -0.248 62.872 63.100 0.033 0.000 0.790 247 P CB 0.348 32.067 31.700 0.031 0.000 0.951 248 N N -1.116 117.622 118.700 0.063 0.000 2.699 248 N HA -0.124 4.616 4.740 -0.000 0.000 0.256 248 N C -0.684 174.886 175.510 0.099 0.000 0.993 248 N CA 1.041 54.152 53.050 0.101 0.000 0.759 248 N CB -1.718 36.829 38.487 0.099 0.000 0.906 248 N HN 0.365 nan 8.380 nan 0.000 0.541 249 S N 0.180 115.942 115.700 0.104 0.000 2.568 249 S HA 0.692 5.162 4.470 -0.000 0.000 0.293 249 S C 0.200 174.915 174.600 0.191 0.000 1.089 249 S CA -0.866 57.397 58.200 0.105 0.000 0.945 249 S CB 3.265 66.490 63.200 0.041 0.000 1.077 249 S HN 0.436 nan 8.310 nan 0.000 0.485 250 R N 2.221 122.883 120.500 0.269 0.000 2.549 250 R HA 0.454 4.794 4.340 -0.000 0.000 0.291 250 R C -2.079 174.306 176.300 0.143 0.000 1.164 250 R CA -0.296 55.907 56.100 0.171 0.000 0.973 250 R CB 0.492 30.864 30.300 0.120 0.000 1.210 250 R HN 0.624 nan 8.270 nan 0.000 0.422 251 L N 4.132 125.412 121.223 0.096 0.000 2.346 251 L HA 0.628 4.968 4.340 -0.000 0.000 0.274 251 L C -0.496 176.405 176.870 0.052 0.000 1.007 251 L CA -1.313 53.564 54.840 0.062 0.000 0.818 251 L CB 2.115 44.217 42.059 0.071 0.000 1.284 251 L HN 0.355 nan 8.230 nan 0.000 0.424 252 V N 5.188 125.117 119.914 0.026 0.000 2.350 252 V HA 0.424 4.544 4.120 -0.000 0.000 0.285 252 V C -0.791 175.319 176.094 0.028 0.000 1.014 252 V CA -0.459 61.857 62.300 0.028 0.000 0.831 252 V CB 1.377 33.208 31.823 0.014 0.000 1.000 252 V HN 0.438 nan 8.190 nan 0.000 0.433 253 L N 7.123 128.380 121.223 0.057 0.000 2.264 253 L HA 0.554 4.894 4.340 -0.000 0.000 0.287 253 L C 0.354 177.260 176.870 0.059 0.000 1.039 253 L CA 0.187 55.073 54.840 0.077 0.000 0.829 253 L CB 0.826 42.968 42.059 0.138 0.000 1.211 253 L HN 0.739 nan 8.230 nan 0.000 0.427 254 Q N 1.810 121.636 119.800 0.044 0.000 2.212 254 Q HA 0.217 4.557 4.340 -0.000 0.000 0.238 254 Q C 0.422 176.443 176.000 0.035 0.000 0.955 254 Q CA -0.641 55.181 55.803 0.033 0.000 0.906 254 Q CB 0.868 29.618 28.738 0.021 0.000 1.215 254 Q HN 0.519 nan 8.270 nan 0.000 0.478 255 N N -0.161 118.555 118.700 0.026 0.000 2.714 255 N HA -0.181 4.559 4.740 -0.000 0.000 0.252 255 N C -1.516 174.010 175.510 0.028 0.000 1.014 255 N CA 0.344 53.407 53.050 0.022 0.000 0.735 255 N CB -0.750 37.748 38.487 0.018 0.000 0.924 255 N HN 0.363 nan 8.380 nan 0.000 0.540 256 V N 0.409 120.344 119.914 0.035 0.000 2.407 256 V HA 0.743 4.863 4.120 -0.000 0.000 0.278 256 V C 1.304 177.419 176.094 0.034 0.000 1.037 256 V CA 0.055 62.379 62.300 0.040 0.000 0.900 256 V CB 0.862 32.718 31.823 0.055 0.000 0.983 256 V HN 0.443 nan 8.190 nan 0.000 0.459 257 G N 5.232 114.052 108.800 0.033 0.000 2.353 257 G HA2 0.255 4.215 3.960 -0.000 0.000 0.239 257 G HA3 0.255 4.215 3.960 -0.000 0.000 0.239 257 G C -0.091 174.838 174.900 0.048 0.000 1.295 257 G CA -0.041 45.083 45.100 0.040 0.000 0.884 257 G HN 0.811 nan 8.290 nan 0.000 0.537 258 I N 1.526 122.124 120.570 0.047 0.000 3.658 258 I HA 0.142 4.312 4.170 -0.000 0.000 0.328 258 I C 0.705 176.845 176.117 0.039 0.000 1.567 258 I CA -0.941 60.382 61.300 0.039 0.000 1.078 258 I CB -0.040 37.975 38.000 0.026 0.000 1.267 258 I HN 0.470 nan 8.210 nan 0.000 0.495 259 N N 1.774 120.512 118.700 0.064 0.000 2.365 259 N HA -0.110 4.630 4.740 -0.000 0.000 0.265 259 N C 1.463 176.985 175.510 0.019 0.000 1.288 259 N CA 0.512 53.594 53.050 0.053 0.000 0.869 259 N CB 0.900 39.454 38.487 0.112 0.000 1.071 259 N HN 0.312 nan 8.380 nan 0.000 0.480 260 E N 2.471 122.667 120.200 -0.007 0.000 2.187 260 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 260 E C 1.101 177.683 176.600 -0.030 0.000 1.004 260 E CA 2.039 58.424 56.400 -0.025 0.000 0.813 260 E CB -1.169 28.503 29.700 -0.047 0.000 0.736 260 E HN 0.716 nan 8.360 nan 0.000 0.468 261 T N -2.221 112.308 114.554 -0.041 0.000 3.148 261 T HA 0.169 4.519 4.350 -0.000 0.000 0.253 261 T C 1.422 176.110 174.700 -0.021 0.000 1.134 261 T CA -0.046 62.029 62.100 -0.041 0.000 1.051 261 T CB 0.142 68.965 68.868 -0.074 0.000 0.959 261 T HN -0.006 nan 8.240 nan 0.000 0.525 262 R N 0.775 121.277 120.500 0.003 0.000 2.509 262 R HA 0.157 4.497 4.340 -0.000 0.000 0.297 262 R C 1.450 177.765 176.300 0.025 0.000 0.951 262 R CA 0.728 56.849 56.100 0.035 0.000 1.103 262 R CB 0.066 30.423 30.300 0.095 0.000 1.283 262 R HN 0.612 nan 8.270 nan 0.000 0.534 263 T N -2.389 112.173 114.554 0.013 0.000 3.312 263 T HA 0.125 4.475 4.350 -0.000 0.000 0.251 263 T C 1.602 176.301 174.700 -0.002 0.000 1.012 263 T CA 0.335 62.439 62.100 0.007 0.000 0.925 263 T CB 0.438 69.310 68.868 0.006 0.000 1.049 263 T HN 0.145 nan 8.240 nan 0.000 0.583 264 G N 1.859 110.657 108.800 -0.004 0.000 2.442 264 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 264 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 264 G C 1.248 176.139 174.900 -0.015 0.000 1.141 264 G CA 0.607 45.702 45.100 -0.008 0.000 0.763 264 G HN 0.618 nan 8.290 nan 0.000 0.554 265 I N 0.290 120.846 120.570 -0.023 0.000 2.454 265 I HA -0.075 4.095 4.170 -0.000 0.000 0.254 265 I C 2.447 178.553 176.117 -0.018 0.000 1.156 265 I CA 0.684 61.965 61.300 -0.032 0.000 1.433 265 I CB -0.004 37.963 38.000 -0.056 0.000 1.082 265 I HN 0.176 nan 8.210 nan 0.000 0.432 266 I N 0.622 121.187 120.570 -0.009 0.000 2.252 266 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 266 I C 1.891 178.006 176.117 -0.002 0.000 1.102 266 I CA 1.196 62.495 61.300 -0.001 0.000 1.385 266 I CB -0.530 37.472 38.000 0.003 0.000 1.064 266 I HN 0.234 nan 8.210 nan 0.000 0.414 267 D N 0.520 120.917 120.400 -0.005 0.000 2.144 267 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 267 D C 2.345 178.643 176.300 -0.004 0.000 0.984 267 D CA 1.058 55.055 54.000 -0.004 0.000 0.834 267 D CB -0.234 40.563 40.800 -0.005 0.000 0.955 267 D HN 0.159 nan 8.370 nan 0.000 0.465 268 V N 1.287 121.196 119.914 -0.008 0.000 2.307 268 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 268 V C 2.555 178.645 176.094 -0.006 0.000 1.045 268 V CA 0.973 63.268 62.300 -0.009 0.000 1.024 268 V CB -0.327 31.487 31.823 -0.015 0.000 0.651 268 V HN 0.165 nan 8.190 nan 0.000 0.449 269 I N -0.486 120.081 120.570 -0.005 0.000 2.208 269 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 269 I C 2.762 178.881 176.117 0.004 0.000 1.097 269 I CA 1.459 62.759 61.300 0.001 0.000 1.363 269 I CB -0.356 37.647 38.000 0.005 0.000 1.051 269 I HN 0.217 nan 8.210 nan 0.000 0.413 270 R N 1.113 121.615 120.500 0.003 0.000 2.082 270 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 270 R C 2.365 178.667 176.300 0.003 0.000 1.136 270 R CA 1.942 58.044 56.100 0.004 0.000 0.935 270 R CB -0.953 29.349 30.300 0.002 0.000 0.842 270 R HN 0.374 nan 8.270 nan 0.000 0.430 271 A N -0.161 122.660 122.820 0.001 0.000 2.024 271 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 271 A C 1.960 179.546 177.584 0.002 0.000 1.164 271 A CA 1.754 53.792 52.037 0.001 0.000 0.643 271 A CB -0.482 18.517 19.000 -0.000 0.000 0.806 271 A HN 0.337 nan 8.150 nan 0.000 0.451 272 M N -1.391 118.211 119.600 0.002 0.000 2.561 272 M HA 0.177 4.657 4.480 -0.000 0.000 0.238 272 M C 1.276 177.580 176.300 0.006 0.000 1.131 272 M CA 0.719 56.021 55.300 0.004 0.000 1.046 272 M CB 0.201 32.802 32.600 0.002 0.000 1.532 272 M HN 0.610 nan 8.290 nan 0.000 0.497 273 G N 0.796 109.601 108.800 0.007 0.000 2.136 273 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.242 273 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.242 273 G C 0.264 175.171 174.900 0.013 0.000 0.989 273 G CA -0.165 44.940 45.100 0.009 0.000 0.682 273 G HN 0.630 nan 8.290 nan 0.000 0.522 274 G N -0.356 108.452 108.800 0.013 0.000 2.527 274 G HA2 0.492 4.451 3.960 -0.000 0.000 0.248 274 G HA3 0.492 4.451 3.960 -0.000 0.000 0.248 274 G C 0.159 175.072 174.900 0.021 0.000 1.231 274 G CA -0.486 44.625 45.100 0.019 0.000 0.838 274 G HN 0.411 nan 8.290 nan 0.000 0.570 275 K N 0.847 121.263 120.400 0.026 0.000 2.219 275 K HA 0.259 4.579 4.320 -0.000 0.000 0.280 275 K C -0.795 175.823 176.600 0.030 0.000 1.104 275 K CA -0.344 55.959 56.287 0.026 0.000 0.925 275 K CB 0.843 33.360 32.500 0.029 0.000 1.261 275 K HN 0.211 nan 8.250 nan 0.000 0.445 276 L N 2.404 123.642 121.223 0.025 0.000 2.376 276 L HA 0.325 4.665 4.340 -0.000 0.000 0.275 276 L C -0.913 175.971 176.870 0.023 0.000 0.987 276 L CA -0.308 54.548 54.840 0.027 0.000 0.828 276 L CB 1.631 43.705 42.059 0.025 0.000 1.249 276 L HN 0.531 nan 8.230 nan 0.000 0.409 277 E N 5.284 125.499 120.200 0.025 0.000 2.183 277 E HA 0.544 4.894 4.350 -0.000 0.000 0.271 277 E C -1.405 175.207 176.600 0.021 0.000 0.919 277 E CA -0.652 55.760 56.400 0.020 0.000 0.781 277 E CB 1.360 31.071 29.700 0.018 0.000 1.140 277 E HN 0.710 nan 8.360 nan 0.000 0.402 278 I N 4.359 124.939 120.570 0.017 0.000 2.389 278 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 278 I C 0.081 176.205 176.117 0.013 0.000 0.999 278 I CA -0.428 60.882 61.300 0.017 0.000 1.129 278 I CB 1.681 39.690 38.000 0.014 0.000 1.288 278 I HN 0.608 nan 8.210 nan 0.000 0.444 279 T N 0.562 115.124 114.554 0.013 0.000 2.669 279 T HA 0.376 4.726 4.350 -0.000 0.000 0.283 279 T C -0.128 174.577 174.700 0.009 0.000 1.019 279 T CA -0.691 61.415 62.100 0.009 0.000 1.039 279 T CB 1.489 70.362 68.868 0.008 0.000 1.374 279 T HN 0.489 nan 8.240 nan 0.000 0.523 280 E N 0.215 120.418 120.200 0.005 0.000 2.238 280 E HA -0.166 4.184 4.350 -0.000 0.000 0.219 280 E C -0.418 176.185 176.600 0.004 0.000 1.275 280 E CA 0.328 56.730 56.400 0.004 0.000 0.714 280 E CB -1.832 27.870 29.700 0.005 0.000 1.154 280 E HN 0.669 nan 8.360 nan 0.000 0.363 281 I N 1.289 121.861 120.570 0.004 0.000 2.505 281 I HA -0.018 4.152 4.170 -0.000 0.000 0.287 281 I C 1.030 177.147 176.117 0.000 0.000 1.104 281 I CA 0.223 61.525 61.300 0.003 0.000 1.387 281 I CB 0.338 38.340 38.000 0.003 0.000 1.404 281 I HN -0.085 nan 8.210 nan 0.000 0.528 282 D N 10.320 130.720 120.400 0.001 0.000 2.428 282 D HA 0.165 4.805 4.640 -0.000 0.000 0.221 282 D C -1.427 174.871 176.300 -0.002 0.000 1.123 282 D CA -2.120 51.878 54.000 -0.003 0.000 0.869 282 D CB 1.493 42.291 40.800 -0.004 0.000 1.032 282 D HN 0.294 nan 8.370 nan 0.000 0.506 283 P HA -0.106 nan 4.420 nan 0.000 0.228 283 P C 1.114 178.410 177.300 -0.006 0.000 1.151 283 P CA 0.438 63.535 63.100 -0.005 0.000 0.770 283 P CB 0.748 32.444 31.700 -0.007 0.000 0.786 284 V N 0.393 120.302 119.914 -0.008 0.000 2.627 284 V HA 0.126 4.246 4.120 -0.000 0.000 0.239 284 V C 2.745 178.834 176.094 -0.007 0.000 1.077 284 V CA 1.380 63.673 62.300 -0.011 0.000 1.103 284 V CB -1.506 30.307 31.823 -0.017 0.000 0.802 284 V HN 0.010 nan 8.190 nan 0.000 0.482 285 A N -0.934 121.882 122.820 -0.007 0.000 2.121 285 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 285 A C 1.213 178.802 177.584 0.010 0.000 1.154 285 A CA 1.010 53.045 52.037 -0.003 0.000 0.679 285 A CB -0.491 18.505 19.000 -0.006 0.000 0.795 285 A HN 0.580 nan 8.150 nan 0.000 0.458 286 K N -0.317 120.089 120.400 0.010 0.000 3.181 286 K HA -0.133 4.187 4.320 -0.000 0.000 0.269 286 K C -0.157 176.456 176.600 0.022 0.000 1.097 286 K CA 0.587 56.884 56.287 0.018 0.000 0.783 286 K CB -2.056 30.462 32.500 0.031 0.000 1.267 286 K HN 0.842 nan 8.250 nan 0.000 0.484 287 S N -1.175 114.534 115.700 0.015 0.000 2.661 287 S HA 0.952 5.422 4.470 -0.000 0.000 0.285 287 S C -0.668 173.941 174.600 0.015 0.000 1.138 287 S CA -0.284 57.927 58.200 0.018 0.000 0.855 287 S CB 3.032 66.240 63.200 0.015 0.000 1.136 287 S HN 0.666 nan 8.310 nan 0.000 0.484 288 A N 0.650 123.481 122.820 0.019 0.000 2.540 288 A HA 0.815 5.135 4.320 -0.000 0.000 0.291 288 A C -0.517 177.082 177.584 0.024 0.000 1.083 288 A CA -0.329 51.719 52.037 0.018 0.000 0.650 288 A CB 0.678 19.688 19.000 0.017 0.000 1.292 288 A HN 1.816 nan 8.150 nan 0.000 0.435 289 T N -0.495 114.073 114.554 0.023 0.000 2.771 289 T HA 0.644 4.994 4.350 -0.000 0.000 0.281 289 T C -0.838 173.881 174.700 0.033 0.000 0.982 289 T CA -0.552 61.565 62.100 0.029 0.000 0.978 289 T CB 0.622 69.503 68.868 0.022 0.000 0.930 289 T HN 0.497 nan 8.240 nan 0.000 0.447 290 L N 3.888 125.138 121.223 0.045 0.000 2.295 290 L HA 0.594 4.934 4.340 -0.000 0.000 0.285 290 L C -0.033 176.869 176.870 0.054 0.000 1.035 290 L CA -1.182 53.687 54.840 0.048 0.000 0.806 290 L CB 1.074 43.169 42.059 0.060 0.000 1.214 290 L HN 0.757 nan 8.230 nan 0.000 0.426 291 I N 3.535 124.132 120.570 0.046 0.000 2.436 291 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 291 I C -0.465 175.683 176.117 0.051 0.000 1.010 291 I CA -0.774 60.554 61.300 0.047 0.000 1.098 291 I CB 2.275 40.294 38.000 0.033 0.000 1.266 291 I HN 0.276 nan 8.210 nan 0.000 0.434 292 V N 6.370 126.323 119.914 0.065 0.000 2.815 292 V HA 0.587 4.707 4.120 -0.000 0.000 0.314 292 V C -0.850 175.286 176.094 0.070 0.000 1.064 292 V CA -0.102 62.238 62.300 0.067 0.000 0.952 292 V CB 2.383 34.256 31.823 0.083 0.000 1.020 292 V HN 0.848 nan 8.190 nan 0.000 0.439 293 E N 2.025 122.263 120.200 0.063 0.000 2.367 293 E HA 0.466 4.815 4.350 -0.000 0.000 0.273 293 E C -0.907 175.729 176.600 0.061 0.000 0.903 293 E CA -0.733 55.706 56.400 0.066 0.000 0.764 293 E CB 2.326 32.057 29.700 0.052 0.000 1.252 293 E HN 0.748 nan 8.360 nan 0.000 0.446 294 S N 1.415 117.155 115.700 0.066 0.000 2.673 294 S HA 0.085 4.555 4.470 -0.000 0.000 0.308 294 S C -0.540 174.086 174.600 0.044 0.000 1.246 294 S CA 0.181 58.414 58.200 0.055 0.000 1.077 294 S CB 0.196 63.429 63.200 0.056 0.000 0.814 294 S HN 0.354 nan 8.310 nan 0.000 0.503 295 S N 1.784 117.507 115.700 0.038 0.000 2.599 295 S HA 0.439 4.909 4.470 -0.000 0.000 0.287 295 S C -1.296 173.319 174.600 0.025 0.000 1.105 295 S CA -1.090 57.128 58.200 0.030 0.000 0.899 295 S CB 1.361 64.578 63.200 0.028 0.000 1.100 295 S HN 0.592 nan 8.310 nan 0.000 0.482 296 D N 2.108 122.520 120.400 0.021 0.000 2.329 296 D HA 0.438 5.078 4.640 -0.000 0.000 0.232 296 D C -0.566 175.743 176.300 0.015 0.000 1.088 296 D CA -0.330 53.681 54.000 0.018 0.000 0.835 296 D CB 0.787 41.597 40.800 0.016 0.000 1.078 296 D HN 0.112 nan 8.370 nan 0.000 0.495 297 L N 1.865 123.096 121.223 0.014 0.000 2.387 297 L HA 0.494 4.834 4.340 -0.000 0.000 0.266 297 L C 0.456 177.331 176.870 0.008 0.000 1.059 297 L CA -0.647 54.200 54.840 0.011 0.000 0.801 297 L CB 0.456 42.520 42.059 0.010 0.000 1.223 297 L HN 0.103 nan 8.230 nan 0.000 0.456 298 K N -0.160 120.244 120.400 0.007 0.000 2.371 298 K HA 0.636 4.956 4.320 -0.000 0.000 0.251 298 K C 0.043 176.645 176.600 0.003 0.000 0.934 298 K CA -0.426 55.864 56.287 0.005 0.000 0.798 298 K CB 1.701 34.204 32.500 0.005 0.000 1.204 298 K HN 0.734 nan 8.250 nan 0.000 0.427 299 G N 0.239 109.041 108.800 0.003 0.000 2.614 299 G HA2 0.324 4.284 3.960 -0.000 0.000 0.239 299 G HA3 0.324 4.284 3.960 -0.000 0.000 0.239 299 G C -0.315 174.585 174.900 0.001 0.000 1.240 299 G CA 0.246 45.347 45.100 0.001 0.000 0.842 299 G HN 0.445 nan 8.290 nan 0.000 0.584 300 T N -1.279 113.274 114.554 -0.001 0.000 2.754 300 T HA 0.500 4.850 4.350 -0.000 0.000 0.296 300 T C -1.343 173.356 174.700 -0.002 0.000 1.205 300 T CA -0.652 61.448 62.100 -0.001 0.000 1.009 300 T CB 1.770 70.637 68.868 -0.002 0.000 1.368 300 T HN 0.589 nan 8.240 nan 0.000 0.509 301 E N 1.324 121.523 120.200 -0.001 0.000 2.171 301 E HA 0.597 4.947 4.350 -0.000 0.000 0.271 301 E C -1.177 175.422 176.600 -0.002 0.000 0.916 301 E CA -0.640 55.759 56.400 -0.001 0.000 0.774 301 E CB 0.929 30.629 29.700 -0.000 0.000 1.128 301 E HN 0.516 nan 8.360 nan 0.000 0.403 302 I N 5.827 126.395 120.570 -0.003 0.000 2.420 302 I HA 0.362 4.532 4.170 -0.000 0.000 0.282 302 I C -0.349 175.767 176.117 -0.002 0.000 1.019 302 I CA -0.691 60.607 61.300 -0.003 0.000 1.130 302 I CB 0.753 38.749 38.000 -0.007 0.000 1.262 302 I HN 0.637 nan 8.210 nan 0.000 0.454 303 C N 2.379 121.680 119.300 0.001 0.000 3.332 303 C HA 0.877 5.336 4.460 -0.000 0.000 0.329 303 C C 0.799 175.792 174.990 0.005 0.000 1.434 303 C CA -0.766 58.253 59.018 0.002 0.000 1.314 303 C CB 0.856 28.597 27.740 0.001 0.000 1.664 303 C HN 1.014 nan 8.230 nan 0.000 0.457 304 G N 0.416 109.218 108.800 0.005 0.000 2.945 304 G HA2 0.312 4.272 3.960 -0.000 0.000 0.304 304 G HA3 0.312 4.272 3.960 -0.000 0.000 0.304 304 G C 1.181 176.091 174.900 0.015 0.000 0.260 304 G CA 1.644 46.748 45.100 0.008 0.000 1.210 304 G HN 2.910 nan 8.290 nan 0.000 0.218 305 A N 1.096 123.929 122.820 0.022 0.000 2.640 305 A HA -0.276 4.044 4.320 -0.000 0.000 0.233 305 A C 1.886 179.493 177.584 0.038 0.000 0.621 305 A CA 1.914 53.976 52.037 0.041 0.000 1.214 305 A CB -1.629 17.401 19.000 0.049 0.000 1.351 305 A HN 2.167 nan 8.150 nan 0.000 0.694 306 L N 0.592 121.828 121.223 0.022 0.000 2.156 306 L HA 0.079 4.419 4.340 -0.000 0.000 0.208 306 L C 2.139 179.016 176.870 0.012 0.000 1.095 306 L CA 2.086 56.934 54.840 0.015 0.000 0.770 306 L CB -0.320 41.743 42.059 0.007 0.000 0.914 306 L HN 0.594 nan 8.230 nan 0.000 0.439 307 I N 1.413 121.990 120.570 0.011 0.000 2.087 307 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 307 I C -0.194 175.930 176.117 0.012 0.000 1.054 307 I CA 1.905 63.209 61.300 0.008 0.000 1.311 307 I CB -2.989 35.015 38.000 0.006 0.000 1.024 307 I HN 0.293 nan 8.210 nan 0.000 0.402 308 P HA -0.127 nan 4.420 nan 0.000 0.225 308 P C 1.400 178.714 177.300 0.022 0.000 1.148 308 P CA 1.294 64.407 63.100 0.022 0.000 0.779 308 P CB -0.242 31.475 31.700 0.027 0.000 0.780 309 R N -0.148 120.364 120.500 0.020 0.000 2.313 309 R HA 0.080 4.420 4.340 -0.000 0.000 0.199 309 R C 0.659 176.963 176.300 0.007 0.000 0.958 309 R CA 0.647 56.755 56.100 0.014 0.000 1.047 309 R CB -0.204 30.103 30.300 0.010 0.000 0.955 309 R HN 0.260 nan 8.270 nan 0.000 0.481 310 L N -4.275 116.949 121.223 0.003 0.000 3.693 310 L HA 0.231 4.571 4.340 -0.000 0.000 0.357 310 L C 0.650 177.511 176.870 -0.014 0.000 1.330 310 L CA -0.142 54.691 54.840 -0.011 0.000 1.046 310 L CB -0.661 41.385 42.059 -0.022 0.000 1.407 310 L HN -0.214 nan 8.230 nan 0.000 0.614 311 I N -0.780 119.790 120.570 0.001 0.000 2.145 311 I HA -0.217 3.953 4.170 -0.000 0.000 0.244 311 I C 1.713 177.826 176.117 -0.007 0.000 1.075 311 I CA 1.583 62.884 61.300 0.002 0.000 1.332 311 I CB -1.045 36.964 38.000 0.016 0.000 1.033 311 I HN 0.211 nan 8.210 nan 0.000 0.410 312 D N 0.445 120.844 120.400 -0.002 0.000 2.348 312 D HA -0.095 4.545 4.640 -0.000 0.000 0.216 312 D C 1.719 177.976 176.300 -0.073 0.000 0.970 312 D CA 0.755 54.747 54.000 -0.012 0.000 0.889 312 D CB -0.058 40.760 40.800 0.029 0.000 0.912 312 D HN 0.486 nan 8.370 nan 0.000 0.524 313 E N -0.205 119.940 120.200 -0.092 0.000 2.472 313 E HA 0.139 4.489 4.350 -0.000 0.000 0.196 313 E C 2.040 178.564 176.600 -0.128 0.000 1.033 313 E CA -0.129 56.173 56.400 -0.164 0.000 0.886 313 E CB 0.063 29.674 29.700 -0.149 0.000 0.944 313 E HN 0.228 nan 8.360 nan 0.000 0.492 314 L N 0.755 121.933 121.223 -0.075 0.000 2.127 314 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 314 L C -0.736 176.102 176.870 -0.053 0.000 1.089 314 L CA 1.236 56.044 54.840 -0.053 0.000 0.757 314 L CB -1.296 40.746 42.059 -0.029 0.000 0.899 314 L HN 0.153 nan 8.230 nan 0.000 0.434 315 P HA -0.166 nan 4.420 nan 0.000 0.214 315 P C 1.633 178.907 177.300 -0.043 0.000 1.162 315 P CA 1.361 64.442 63.100 -0.033 0.000 0.879 315 P CB -0.044 31.648 31.700 -0.013 0.000 0.786 316 I N -3.612 116.896 120.570 -0.104 0.000 2.676 316 I HA -0.074 4.096 4.170 -0.000 0.000 0.259 316 I C 2.140 178.200 176.117 -0.095 0.000 1.194 316 I CA 1.393 62.624 61.300 -0.116 0.000 1.473 316 I CB -1.352 36.468 38.000 -0.301 0.000 1.096 316 I HN -0.140 nan 8.210 nan 0.000 0.443 317 I N 1.398 121.911 120.570 -0.096 0.000 2.394 317 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 317 I C 2.779 178.873 176.117 -0.039 0.000 1.136 317 I CA 1.122 62.383 61.300 -0.065 0.000 1.425 317 I CB -0.380 37.584 38.000 -0.060 0.000 1.079 317 I HN 0.329 nan 8.210 nan 0.000 0.425 318 A N 0.874 123.673 122.820 -0.034 0.000 1.877 318 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 318 A C 2.381 179.955 177.584 -0.016 0.000 1.186 318 A CA 1.388 53.413 52.037 -0.020 0.000 0.620 318 A CB -0.831 18.160 19.000 -0.015 0.000 0.822 318 A HN 0.435 nan 8.150 nan 0.000 0.443 319 L N -0.946 120.268 121.223 -0.016 0.000 2.046 319 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 319 L C 2.513 179.379 176.870 -0.007 0.000 1.077 319 L CA 2.035 56.870 54.840 -0.008 0.000 0.747 319 L CB -0.374 41.686 42.059 0.002 0.000 0.896 319 L HN 0.470 nan 8.230 nan 0.000 0.432 320 L N 0.569 121.785 121.223 -0.012 0.000 2.012 320 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 320 L C 2.655 179.522 176.870 -0.006 0.000 1.073 320 L CA 2.229 57.064 54.840 -0.008 0.000 0.748 320 L CB -0.883 41.165 42.059 -0.018 0.000 0.891 320 L HN 0.256 nan 8.230 nan 0.000 0.431 321 A N -1.913 120.901 122.820 -0.010 0.000 1.940 321 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 321 A C 2.316 179.897 177.584 -0.004 0.000 1.176 321 A CA 2.266 54.299 52.037 -0.007 0.000 0.631 321 A CB -1.284 17.711 19.000 -0.009 0.000 0.814 321 A HN 0.519 nan 8.150 nan 0.000 0.446 322 T N -0.222 114.329 114.554 -0.006 0.000 2.849 322 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 322 T C 1.752 176.450 174.700 -0.003 0.000 1.066 322 T CA 1.637 63.733 62.100 -0.007 0.000 1.130 322 T CB -0.191 68.670 68.868 -0.012 0.000 0.864 322 T HN 0.483 nan 8.240 nan 0.000 0.481 323 Q N -0.252 119.548 119.800 0.000 0.000 2.356 323 Q HA 0.394 4.734 4.340 -0.000 0.000 0.205 323 Q C 0.687 176.691 176.000 0.007 0.000 0.901 323 Q CA -0.065 55.741 55.803 0.005 0.000 0.938 323 Q CB 0.216 28.959 28.738 0.009 0.000 1.081 323 Q HN 0.490 nan 8.270 nan 0.000 0.517 324 A N 1.087 123.910 122.820 0.005 0.000 2.302 324 A HA 0.332 4.652 4.320 -0.000 0.000 0.285 324 A C 0.182 177.769 177.584 0.005 0.000 1.105 324 A CA -0.440 51.600 52.037 0.005 0.000 0.816 324 A CB 0.625 19.627 19.000 0.004 0.000 1.067 324 A HN -0.026 nan 8.150 nan 0.000 0.489 325 Q N 0.427 120.231 119.800 0.006 0.000 2.304 325 Q HA 0.466 4.806 4.340 -0.000 0.000 0.260 325 Q C 0.743 176.746 176.000 0.005 0.000 0.965 325 Q CA 1.444 57.251 55.803 0.006 0.000 0.898 325 Q CB 0.929 29.672 28.738 0.007 0.000 1.196 325 Q HN 1.653 nan 8.270 nan 0.000 0.402 326 G N 0.868 109.671 108.800 0.005 0.000 2.660 326 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.247 326 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.247 326 G C -0.817 174.085 174.900 0.003 0.000 1.328 326 G CA -0.563 44.540 45.100 0.004 0.000 0.884 326 G HN 0.478 nan 8.290 nan 0.000 0.531 327 V N 0.291 120.207 119.914 0.003 0.000 2.644 327 V HA 0.733 4.853 4.120 -0.000 0.000 0.295 327 V C 0.905 177.000 176.094 0.001 0.000 1.053 327 V CA 0.596 62.897 62.300 0.002 0.000 0.987 327 V CB 1.544 33.368 31.823 0.002 0.000 1.006 327 V HN 1.441 nan 8.190 nan 0.000 0.472 328 T N 3.717 118.271 114.554 -0.000 0.000 2.879 328 T HA 0.623 4.973 4.350 -0.000 0.000 0.290 328 T C -1.105 173.594 174.700 -0.002 0.000 0.993 328 T CA -0.380 61.719 62.100 -0.002 0.000 0.975 328 T CB 1.316 70.182 68.868 -0.003 0.000 0.981 328 T HN 0.363 nan 8.240 nan 0.000 0.439 329 V N 6.564 126.477 119.914 -0.002 0.000 2.483 329 V HA 0.609 4.729 4.120 -0.000 0.000 0.295 329 V C -0.122 175.970 176.094 -0.003 0.000 1.035 329 V CA -0.784 61.516 62.300 -0.002 0.000 0.896 329 V CB 1.598 33.420 31.823 -0.001 0.000 0.986 329 V HN 0.839 nan 8.190 nan 0.000 0.447 330 I N 5.670 126.239 120.570 -0.003 0.000 2.447 330 I HA 0.538 4.708 4.170 -0.000 0.000 0.287 330 I C -0.230 175.886 176.117 -0.002 0.000 1.023 330 I CA -0.419 60.878 61.300 -0.004 0.000 1.083 330 I CB 1.513 39.510 38.000 -0.006 0.000 1.245 330 I HN 0.736 nan 8.210 nan 0.000 0.434 331 K N 3.395 123.794 120.400 -0.002 0.000 2.469 331 K HA 0.579 4.899 4.320 -0.000 0.000 0.268 331 K C -0.898 175.702 176.600 -0.001 0.000 1.027 331 K CA -0.782 55.504 56.287 -0.001 0.000 0.893 331 K CB 1.680 34.179 32.500 -0.001 0.000 1.460 331 K HN 0.329 nan 8.250 nan 0.000 0.449 332 D N -1.085 119.315 120.400 -0.001 0.000 3.041 332 D HA -0.165 4.475 4.640 -0.000 0.000 0.220 332 D C -0.212 176.088 176.300 0.000 0.000 1.157 332 D CA 1.505 55.505 54.000 -0.001 0.000 0.876 332 D CB -1.398 39.401 40.800 -0.000 0.000 1.107 332 D HN 0.703 nan 8.370 nan 0.000 0.422 333 A N 0.495 123.315 122.820 0.000 0.000 2.793 333 A HA 0.212 4.532 4.320 -0.000 0.000 0.301 333 A C 1.695 179.281 177.584 0.002 0.000 1.172 333 A CA -0.087 51.950 52.037 0.001 0.000 0.973 333 A CB 0.267 19.267 19.000 -0.000 0.000 1.164 333 A HN 0.166 nan 8.150 nan 0.000 0.542 334 E N 0.531 120.732 120.200 0.002 0.000 2.267 334 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 334 E C 0.583 177.186 176.600 0.004 0.000 0.998 334 E CA 0.933 57.334 56.400 0.002 0.000 0.830 334 E CB -0.217 29.483 29.700 0.001 0.000 0.751 334 E HN 0.558 nan 8.360 nan 0.000 0.491 335 E N 0.973 121.176 120.200 0.006 0.000 2.267 335 E HA -0.084 4.266 4.350 -0.000 0.000 0.197 335 E C 2.248 178.855 176.600 0.012 0.000 0.998 335 E CA 0.370 56.776 56.400 0.010 0.000 0.830 335 E CB -0.207 29.500 29.700 0.012 0.000 0.751 335 E HN 0.425 nan 8.360 nan 0.000 0.491 336 L N 0.484 121.712 121.223 0.009 0.000 2.046 336 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 336 L C 2.288 179.164 176.870 0.011 0.000 1.077 336 L CA 1.331 56.177 54.840 0.010 0.000 0.747 336 L CB -0.369 41.694 42.059 0.007 0.000 0.896 336 L HN 0.054 nan 8.230 nan 0.000 0.432 337 K N -0.697 119.707 120.400 0.007 0.000 2.286 337 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 337 K C 1.573 178.175 176.600 0.004 0.000 1.045 337 K CA 0.824 57.113 56.287 0.004 0.000 0.935 337 K CB -0.146 32.354 32.500 0.000 0.000 0.737 337 K HN 0.134 nan 8.250 nan 0.000 0.460 338 V N 0.974 120.893 119.914 0.009 0.000 3.444 338 V HA 0.013 4.133 4.120 -0.000 0.000 0.308 338 V C 0.257 176.362 176.094 0.019 0.000 1.371 338 V CA 0.157 62.464 62.300 0.011 0.000 1.141 338 V CB -0.178 31.652 31.823 0.011 0.000 1.037 338 V HN 0.148 nan 8.190 nan 0.000 0.433 339 K N 0.261 120.675 120.400 0.024 0.000 2.583 339 K HA 0.254 4.573 4.320 -0.000 0.000 0.266 339 K C 1.333 177.960 176.600 0.044 0.000 1.037 339 K CA -0.288 56.022 56.287 0.038 0.000 0.996 339 K CB 0.092 32.617 32.500 0.042 0.000 1.307 339 K HN 0.165 nan 8.250 nan 0.000 0.502 340 E N 0.593 120.834 120.200 0.068 0.000 2.284 340 E HA -0.155 4.195 4.350 -0.000 0.000 0.200 340 E C 0.300 176.940 176.600 0.066 0.000 1.008 340 E CA 1.312 57.759 56.400 0.079 0.000 0.829 340 E CB -0.111 29.666 29.700 0.129 0.000 0.744 340 E HN 0.666 nan 8.360 nan 0.000 0.491 341 T N -2.733 111.854 114.554 0.055 0.000 2.762 341 T HA 0.107 4.457 4.350 -0.000 0.000 0.301 341 T C -1.123 173.591 174.700 0.023 0.000 1.299 341 T CA -1.109 61.015 62.100 0.039 0.000 1.005 341 T CB 1.790 70.711 68.868 0.088 0.000 1.377 341 T HN -0.180 nan 8.240 nan 0.000 0.504 342 D N 0.259 120.662 120.400 0.004 0.000 2.416 342 D HA 0.169 4.809 4.640 -0.000 0.000 0.240 342 D C 0.984 177.296 176.300 0.019 0.000 1.250 342 D CA -0.330 53.672 54.000 0.003 0.000 0.967 342 D CB 0.464 41.256 40.800 -0.013 0.000 1.059 342 D HN 0.486 nan 8.370 nan 0.000 0.512 343 R N 2.842 123.355 120.500 0.021 0.000 2.357 343 R HA 0.022 4.361 4.340 -0.000 0.000 0.202 343 R C 1.561 177.871 176.300 0.017 0.000 1.047 343 R CA 0.467 56.581 56.100 0.022 0.000 1.034 343 R CB 0.339 30.647 30.300 0.014 0.000 0.875 343 R HN 0.551 nan 8.270 nan 0.000 0.473 344 I N -0.644 119.934 120.570 0.014 0.000 2.385 344 I HA -0.173 3.997 4.170 -0.000 0.000 0.244 344 I C 2.372 178.499 176.117 0.016 0.000 1.089 344 I CA 0.705 62.012 61.300 0.011 0.000 1.410 344 I CB -0.038 37.966 38.000 0.006 0.000 1.117 344 I HN 0.042 nan 8.210 nan 0.000 0.429 345 Q N 0.948 120.759 119.800 0.017 0.000 2.016 345 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 345 Q C 2.101 178.129 176.000 0.046 0.000 0.978 345 Q CA 1.974 57.791 55.803 0.023 0.000 0.833 345 Q CB -0.360 28.384 28.738 0.009 0.000 0.895 345 Q HN 0.292 nan 8.270 nan 0.000 0.427 346 V N -0.466 119.486 119.914 0.063 0.000 2.343 346 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 346 V C 2.266 178.408 176.094 0.079 0.000 1.051 346 V CA 1.570 63.940 62.300 0.117 0.000 1.036 346 V CB -0.577 31.350 31.823 0.175 0.000 0.654 346 V HN 0.226 nan 8.190 nan 0.000 0.451 347 V N 0.207 120.150 119.914 0.049 0.000 2.343 347 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 347 V C 2.698 178.806 176.094 0.022 0.000 1.051 347 V CA 2.015 64.332 62.300 0.028 0.000 1.036 347 V CB -1.070 30.762 31.823 0.015 0.000 0.654 347 V HN 0.559 nan 8.190 nan 0.000 0.451 348 A N -0.056 122.778 122.820 0.024 0.000 1.858 348 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 348 A C 2.031 179.629 177.584 0.024 0.000 1.190 348 A CA 2.116 54.164 52.037 0.019 0.000 0.617 348 A CB -0.731 18.280 19.000 0.018 0.000 0.827 348 A HN 0.536 nan 8.150 nan 0.000 0.443 349 D N 0.055 120.479 120.400 0.039 0.000 2.104 349 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 349 D C 2.296 178.619 176.300 0.038 0.000 0.994 349 D CA 1.685 55.714 54.000 0.048 0.000 0.830 349 D CB -0.580 40.267 40.800 0.078 0.000 0.959 349 D HN 0.415 nan 8.370 nan 0.000 0.452 350 A N 0.885 123.726 122.820 0.035 0.000 1.865 350 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 350 A C 2.460 180.041 177.584 -0.006 0.000 1.191 350 A CA 1.203 53.247 52.037 0.011 0.000 0.623 350 A CB -0.896 18.107 19.000 0.005 0.000 0.826 350 A HN 0.224 nan 8.150 nan 0.000 0.444 351 L N -0.539 120.679 121.223 -0.008 0.000 2.156 351 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 351 L C 2.225 179.073 176.870 -0.037 0.000 1.095 351 L CA 0.914 55.737 54.840 -0.027 0.000 0.770 351 L CB -0.652 41.395 42.059 -0.020 0.000 0.914 351 L HN 0.369 nan 8.230 nan 0.000 0.439 352 N N 0.065 118.758 118.700 -0.012 0.000 2.188 352 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 352 N C 2.065 177.577 175.510 0.004 0.000 1.018 352 N CA 1.686 54.734 53.050 -0.003 0.000 0.858 352 N CB -0.203 38.293 38.487 0.016 0.000 0.989 352 N HN 0.337 nan 8.380 nan 0.000 0.426 353 S N -0.532 115.176 115.700 0.013 0.000 2.507 353 S HA 0.026 4.496 4.470 -0.000 0.000 0.235 353 S C 1.767 176.380 174.600 0.021 0.000 0.988 353 S CA 0.599 58.829 58.200 0.050 0.000 0.944 353 S CB -0.046 63.181 63.200 0.045 0.000 0.762 353 S HN 0.235 nan 8.310 nan 0.000 0.526 354 M N -0.418 119.101 119.600 -0.135 0.000 2.653 354 M HA 0.333 4.813 4.480 -0.000 0.000 0.259 354 M C 1.941 177.807 176.300 -0.724 0.000 1.244 354 M CA 0.993 56.064 55.300 -0.382 0.000 1.163 354 M CB 0.702 33.189 32.600 -0.188 0.000 1.309 354 M HN 0.549 nan 8.290 nan 0.000 0.509 355 G N -0.665 107.923 108.800 -0.354 0.000 2.351 355 G HA2 0.540 4.500 3.960 -0.000 0.000 0.169 355 G HA3 0.540 4.500 3.960 -0.000 0.000 0.169 355 G C 0.226 175.080 174.900 -0.077 0.000 1.484 355 G CA 0.408 45.367 45.100 -0.236 0.000 0.715 355 G HN 0.595 nan 8.290 nan 0.000 1.084 356 A N 0.116 122.902 122.820 -0.056 0.000 6.338 356 A HA 0.250 4.570 4.320 -0.000 0.000 0.226 356 A C 0.436 178.017 177.584 -0.005 0.000 2.343 356 A CA 0.829 52.859 52.037 -0.011 0.000 0.694 356 A CB -1.391 17.621 19.000 0.019 0.000 0.874 356 A HN 1.470 nan 8.150 nan 0.000 0.351 357 D N -1.845 118.559 120.400 0.006 0.000 2.739 357 D HA -0.141 4.498 4.640 -0.000 0.000 0.240 357 D C -0.448 175.854 176.300 0.003 0.000 1.114 357 D CA 1.718 55.722 54.000 0.006 0.000 0.695 357 D CB -1.253 39.551 40.800 0.007 0.000 1.078 357 D HN 1.039 nan 8.370 nan 0.000 0.434 358 I N 0.642 121.214 120.570 0.004 0.000 2.410 358 I HA 0.164 4.333 4.170 -0.000 0.000 0.286 358 I C 0.283 176.404 176.117 0.007 0.000 1.009 358 I CA -0.455 60.847 61.300 0.004 0.000 1.111 358 I CB 2.040 40.041 38.000 0.002 0.000 1.262 358 I HN -0.219 nan 8.210 nan 0.000 0.443 359 T N 7.748 122.306 114.554 0.006 0.000 2.781 359 T HA 0.315 4.665 4.350 -0.000 0.000 0.305 359 T C -2.403 172.301 174.700 0.006 0.000 1.001 359 T CA -1.266 60.838 62.100 0.007 0.000 0.950 359 T CB 0.867 69.738 68.868 0.006 0.000 0.955 359 T HN 0.336 nan 8.240 nan 0.000 0.471 360 P HA 0.225 nan 4.420 nan 0.000 0.275 360 P C -0.166 177.137 177.300 0.005 0.000 1.227 360 P CA -0.223 62.880 63.100 0.006 0.000 0.781 360 P CB 0.818 32.523 31.700 0.008 0.000 0.906 361 T N -1.741 112.815 114.554 0.003 0.000 2.858 361 T HA 0.596 4.946 4.350 -0.000 0.000 0.285 361 T C 1.251 175.952 174.700 0.001 0.000 1.052 361 T CA -0.284 61.817 62.100 0.002 0.000 1.009 361 T CB 0.987 69.856 68.868 0.002 0.000 1.241 361 T HN 0.223 nan 8.240 nan 0.000 0.542 362 A N 0.530 123.350 122.820 0.001 0.000 1.969 362 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 362 A C 1.485 179.069 177.584 0.000 0.000 1.169 362 A CA 1.679 53.716 52.037 0.000 0.000 0.635 362 A CB -0.797 18.203 19.000 -0.001 0.000 0.810 362 A HN 0.934 nan 8.150 nan 0.000 0.445 363 D N -2.819 117.581 120.400 0.000 0.000 2.571 363 D HA 0.435 5.075 4.640 -0.000 0.000 0.239 363 D C 0.570 176.870 176.300 0.000 0.000 1.267 363 D CA 0.713 54.713 54.000 -0.000 0.000 0.823 363 D CB -0.076 40.724 40.800 -0.001 0.000 1.056 363 D HN 0.494 nan 8.370 nan 0.000 0.494 364 G N 0.119 108.919 108.800 0.000 0.000 2.534 364 G HA2 0.383 4.343 3.960 -0.000 0.000 0.142 364 G HA3 0.383 4.343 3.960 -0.000 0.000 0.142 364 G C -1.337 173.564 174.900 0.001 0.000 1.178 364 G CA -0.111 44.989 45.100 0.000 0.000 1.037 364 G HN 0.456 nan 8.290 nan 0.000 0.474 365 M N -1.000 118.600 119.600 -0.000 0.000 2.732 365 M HA 0.770 5.250 4.480 -0.000 0.000 0.272 365 M C -1.956 174.344 176.300 -0.000 0.000 1.203 365 M CA -0.921 54.379 55.300 0.001 0.000 0.841 365 M CB 2.104 34.704 32.600 0.001 0.000 1.685 365 M HN 0.434 nan 8.290 nan 0.000 0.492 366 I N 2.455 123.026 120.570 0.001 0.000 2.418 366 I HA 0.550 4.720 4.170 -0.000 0.000 0.287 366 I C -1.191 174.926 176.117 0.001 0.000 1.008 366 I CA -0.701 60.599 61.300 0.001 0.000 1.104 366 I CB 2.031 40.032 38.000 0.002 0.000 1.264 366 I HN 0.610 nan 8.210 nan 0.000 0.438 367 I N 6.039 126.609 120.570 -0.000 0.000 2.389 367 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 367 I C -0.157 175.960 176.117 0.000 0.000 0.999 367 I CA -0.708 60.592 61.300 -0.001 0.000 1.129 367 I CB 1.831 39.829 38.000 -0.003 0.000 1.288 367 I HN 0.491 nan 8.210 nan 0.000 0.444 368 K N 5.072 125.473 120.400 0.002 0.000 2.253 368 K HA 0.500 4.820 4.320 -0.000 0.000 0.277 368 K C 0.196 176.797 176.600 0.002 0.000 1.053 368 K CA -0.340 55.949 56.287 0.003 0.000 0.892 368 K CB 1.202 33.705 32.500 0.005 0.000 1.102 368 K HN 0.822 nan 8.250 nan 0.000 0.469 369 G N 2.604 111.406 108.800 0.002 0.000 2.572 369 G HA2 0.174 4.134 3.960 -0.000 0.000 0.261 369 G HA3 0.174 4.134 3.960 -0.000 0.000 0.261 369 G C -0.639 174.264 174.900 0.004 0.000 1.197 369 G CA -0.191 44.910 45.100 0.003 0.000 0.870 369 G HN 0.638 nan 8.290 nan 0.000 0.548 370 K N -0.550 119.853 120.400 0.004 0.000 4.132 370 K HA -0.136 4.184 4.320 -0.000 0.000 0.335 370 K C -0.456 176.148 176.600 0.006 0.000 1.113 370 K CA 0.465 56.756 56.287 0.006 0.000 0.999 370 K CB -1.736 30.769 32.500 0.008 0.000 1.483 370 K HN 0.624 nan 8.250 nan 0.000 0.434 371 S N 0.609 116.310 115.700 0.001 0.000 2.473 371 S HA 0.712 5.182 4.470 -0.000 0.000 0.307 371 S C 0.046 174.644 174.600 -0.004 0.000 1.094 371 S CA -0.369 57.830 58.200 -0.001 0.000 1.070 371 S CB 1.897 65.089 63.200 -0.013 0.000 1.019 371 S HN 0.523 nan 8.310 nan 0.000 0.480 372 A N 3.665 126.489 122.820 0.008 0.000 2.363 372 A HA 0.619 4.939 4.320 -0.000 0.000 0.270 372 A C -0.153 177.426 177.584 -0.010 0.000 1.121 372 A CA -0.465 51.579 52.037 0.012 0.000 0.800 372 A CB -0.034 18.986 19.000 0.033 0.000 1.052 372 A HN 0.839 nan 8.150 nan 0.000 0.493 373 L N 2.397 123.601 121.223 -0.032 0.000 2.360 373 L HA 0.609 4.949 4.340 -0.000 0.000 0.271 373 L C 0.234 177.072 176.870 -0.054 0.000 1.057 373 L CA -0.832 53.940 54.840 -0.113 0.000 0.803 373 L CB 1.456 43.456 42.059 -0.098 0.000 1.207 373 L HN 1.049 nan 8.230 nan 0.000 0.445 374 H N -0.707 118.368 119.070 0.008 0.000 2.941 374 H HA 0.664 5.220 4.556 -0.000 0.000 0.344 374 H C -0.071 175.259 175.328 0.005 0.000 1.235 374 H CA -0.806 55.246 56.048 0.006 0.000 1.149 374 H CB 0.519 30.284 29.762 0.005 0.000 1.885 374 H HN 0.599 nan 8.280 nan 0.000 0.558 375 G N -0.537 108.414 108.800 0.252 0.000 2.690 375 G HA2 0.462 4.422 3.960 -0.000 0.000 0.239 375 G HA3 0.462 4.422 3.960 -0.000 0.000 0.239 375 G C -0.472 174.542 174.900 0.191 0.000 1.233 375 G CA 0.342 45.535 45.100 0.156 0.000 0.847 375 G HN 1.164 nan 8.290 nan 0.000 0.588 376 A N 0.646 123.519 122.820 0.089 0.000 2.489 376 A HA 0.687 5.007 4.320 -0.000 0.000 0.293 376 A C -0.568 177.030 177.584 0.023 0.000 1.004 376 A CA -0.662 51.416 52.037 0.068 0.000 0.626 376 A CB 0.841 19.882 19.000 0.069 0.000 1.345 376 A HN 0.989 nan 8.150 nan 0.000 0.447 377 R N 0.728 121.234 120.500 0.009 0.000 2.338 377 R HA 0.689 5.029 4.340 -0.000 0.000 0.317 377 R C -1.645 174.631 176.300 -0.039 0.000 0.968 377 R CA -0.289 55.800 56.100 -0.018 0.000 0.849 377 R CB 1.315 31.603 30.300 -0.019 0.000 1.128 377 R HN 0.614 nan 8.270 nan 0.000 0.448 378 V N 4.047 123.921 119.914 -0.065 0.000 2.604 378 V HA 0.339 4.459 4.120 -0.000 0.000 0.305 378 V C -0.554 175.428 176.094 -0.187 0.000 1.043 378 V CA -0.983 61.253 62.300 -0.107 0.000 0.888 378 V CB 1.969 33.746 31.823 -0.076 0.000 0.995 378 V HN 0.834 nan 8.190 nan 0.000 0.429 379 N N 1.807 120.297 118.700 -0.350 0.000 2.399 379 N HA 0.324 5.064 4.740 -0.000 0.000 0.295 379 N C 0.910 176.064 175.510 -0.594 0.000 1.048 379 N CA -0.265 52.458 53.050 -0.545 0.000 0.886 379 N CB 1.991 39.928 38.487 -0.918 0.000 1.185 379 N HN 0.638 nan 8.380 nan 0.000 0.487 380 T N 2.657 117.005 114.554 -0.343 0.000 2.821 380 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 380 T C 0.151 174.831 174.700 -0.034 0.000 1.046 380 T CA 0.918 62.922 62.100 -0.160 0.000 1.139 380 T CB -0.535 68.291 68.868 -0.070 0.000 0.871 380 T HN 0.693 nan 8.240 nan 0.000 0.454 381 F N -0.368 119.589 119.950 0.011 0.000 3.057 381 F HA -0.256 4.271 4.527 -0.000 0.000 0.287 381 F C 1.267 177.080 175.800 0.021 0.000 0.834 381 F CA 0.087 58.096 58.000 0.014 0.000 1.147 381 F CB -1.909 37.098 39.000 0.012 0.000 1.245 381 F HN 0.394 nan 8.300 nan 0.000 0.509 382 G N -0.054 108.842 108.800 0.161 0.000 2.159 382 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 382 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 382 G C -0.290 174.685 174.900 0.124 0.000 0.977 382 G CA 0.211 45.382 45.100 0.118 0.000 0.652 382 G HN 0.516 nan 8.290 nan 0.000 0.531 383 D N 0.502 120.980 120.400 0.129 0.000 2.412 383 D HA 0.362 5.002 4.640 -0.000 0.000 0.224 383 D C 1.878 178.231 176.300 0.089 0.000 1.093 383 D CA -0.312 53.775 54.000 0.145 0.000 0.850 383 D CB 0.168 41.030 40.800 0.102 0.000 1.046 383 D HN 0.399 nan 8.370 nan 0.000 0.507 384 H N 4.836 123.877 119.070 -0.048 0.000 2.390 384 H HA -0.150 4.405 4.556 -0.000 0.000 0.298 384 H C 1.020 176.219 175.328 -0.214 0.000 1.106 384 H CA 1.163 57.128 56.048 -0.138 0.000 1.297 384 H CB -0.125 29.566 29.762 -0.118 0.000 1.375 384 H HN 0.405 nan 8.280 nan 0.000 0.509 385 R N 0.229 120.334 120.500 -0.659 0.000 2.115 385 R HA 0.013 4.353 4.340 -0.000 0.000 0.230 385 R C 2.427 178.617 176.300 -0.183 0.000 1.111 385 R CA 0.961 56.826 56.100 -0.392 0.000 0.976 385 R CB 0.042 30.168 30.300 -0.290 0.000 0.870 385 R HN 0.287 nan 8.270 nan 0.000 0.445 386 I N 0.915 121.401 120.570 -0.139 0.000 2.252 386 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 386 I C 2.492 178.532 176.117 -0.127 0.000 1.102 386 I CA 1.504 62.758 61.300 -0.077 0.000 1.385 386 I CB -1.577 36.409 38.000 -0.024 0.000 1.064 386 I HN 0.234 nan 8.210 nan 0.000 0.414 387 G N 0.581 109.270 108.800 -0.184 0.000 2.433 387 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 387 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 387 G C 1.758 176.443 174.900 -0.358 0.000 1.186 387 G CA 0.462 45.436 45.100 -0.211 0.000 0.779 387 G HN 0.243 nan 8.290 nan 0.000 0.543 388 M N -0.072 119.101 119.600 -0.712 0.000 2.229 388 M HA 0.081 4.561 4.480 -0.000 0.000 0.264 388 M C 2.544 178.545 176.300 -0.499 0.000 1.063 388 M CA 1.097 55.699 55.300 -1.164 0.000 1.114 388 M CB -0.219 30.973 32.600 -2.348 0.000 1.387 388 M HN 0.345 nan 8.290 nan 0.000 0.420 389 M N -0.178 119.309 119.600 -0.189 0.000 2.099 389 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 389 M C 1.782 178.085 176.300 0.005 0.000 1.067 389 M CA 1.784 57.114 55.300 0.051 0.000 1.124 389 M CB -0.224 32.415 32.600 0.065 0.000 1.353 389 M HN 0.132 nan 8.290 nan 0.000 0.410 390 T N 1.169 115.703 114.554 -0.034 0.000 2.788 390 T HA -0.059 4.291 4.350 -0.000 0.000 0.268 390 T C 1.825 176.547 174.700 0.037 0.000 1.044 390 T CA 1.438 63.535 62.100 -0.006 0.000 1.139 390 T CB -0.511 68.345 68.868 -0.020 0.000 0.867 390 T HN 0.603 nan 8.240 nan 0.000 0.454 391 A N 2.015 124.868 122.820 0.054 0.000 1.883 391 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 391 A C 2.329 180.011 177.584 0.163 0.000 1.186 391 A CA 1.701 53.848 52.037 0.185 0.000 0.624 391 A CB -0.801 18.402 19.000 0.339 0.000 0.822 391 A HN 0.726 nan 8.150 nan 0.000 0.444 392 I N -2.812 117.835 120.570 0.128 0.000 2.353 392 I HA 0.012 4.182 4.170 -0.000 0.000 0.248 392 I C 2.463 178.631 176.117 0.085 0.000 1.119 392 I CA 1.237 62.613 61.300 0.127 0.000 1.417 392 I CB -0.684 37.392 38.000 0.128 0.000 1.078 392 I HN 0.178 nan 8.210 nan 0.000 0.421 393 A N 1.827 124.682 122.820 0.058 0.000 1.908 393 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 393 A C 2.586 180.185 177.584 0.026 0.000 1.181 393 A CA 2.053 54.108 52.037 0.030 0.000 0.627 393 A CB -1.020 17.985 19.000 0.009 0.000 0.818 393 A HN 0.593 nan 8.150 nan 0.000 0.445 394 A N -0.215 122.629 122.820 0.040 0.000 1.978 394 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 394 A C 2.068 179.671 177.584 0.033 0.000 1.170 394 A CA 1.430 53.488 52.037 0.036 0.000 0.636 394 A CB -0.613 18.418 19.000 0.051 0.000 0.810 394 A HN 0.509 nan 8.150 nan 0.000 0.448 395 L N -0.839 120.412 121.223 0.046 0.000 2.191 395 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 395 L C 1.950 178.829 176.870 0.015 0.000 1.103 395 L CA 0.787 55.645 54.840 0.030 0.000 0.769 395 L CB -0.441 41.647 42.059 0.049 0.000 0.908 395 L HN 0.381 nan 8.230 nan 0.000 0.438 396 L N -0.692 120.542 121.223 0.018 0.000 2.591 396 L HA 0.066 4.406 4.340 -0.000 0.000 0.228 396 L C 0.553 177.428 176.870 0.009 0.000 1.133 396 L CA -0.296 54.551 54.840 0.011 0.000 0.880 396 L CB 0.178 42.244 42.059 0.011 0.000 1.033 396 L HN -0.041 nan 8.230 nan 0.000 0.450 397 V N 1.369 121.289 119.914 0.010 0.000 2.397 397 V HA 0.055 4.175 4.120 -0.000 0.000 0.262 397 V C 1.462 177.569 176.094 0.021 0.000 1.047 397 V CA 0.383 62.694 62.300 0.018 0.000 1.003 397 V CB 0.753 32.590 31.823 0.024 0.000 1.037 397 V HN 0.331 nan 8.190 nan 0.000 0.480 398 A N 4.006 126.842 122.820 0.026 0.000 1.930 398 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 398 A C 0.938 178.536 177.584 0.023 0.000 1.175 398 A CA 1.318 53.368 52.037 0.022 0.000 0.627 398 A CB -0.046 18.969 19.000 0.025 0.000 0.815 398 A HN 0.736 nan 8.150 nan 0.000 0.443 399 D N -3.411 117.010 120.400 0.035 0.000 2.977 399 D HA 0.500 5.140 4.640 -0.000 0.000 0.220 399 D C -0.228 176.097 176.300 0.041 0.000 1.267 399 D CA 1.098 55.116 54.000 0.029 0.000 0.884 399 D CB 1.431 42.245 40.800 0.024 0.000 1.667 399 D HN 0.824 nan 8.370 nan 0.000 0.536 400 G N 1.850 110.667 108.800 0.029 0.000 2.353 400 G HA2 0.260 4.220 3.960 -0.000 0.000 0.615 400 G HA3 0.260 4.220 3.960 -0.000 0.000 0.615 400 G C -1.410 173.507 174.900 0.027 0.000 1.280 400 G CA -0.804 44.315 45.100 0.032 0.000 1.000 400 G HN 0.423 nan 8.290 nan 0.000 0.516 401 E N -1.485 118.731 120.200 0.028 0.000 2.343 401 E HA 0.680 5.030 4.350 -0.000 0.000 0.270 401 E C -0.969 175.644 176.600 0.022 0.000 0.895 401 E CA -0.691 55.719 56.400 0.017 0.000 0.767 401 E CB 2.233 31.936 29.700 0.005 0.000 1.248 401 E HN 1.230 nan 8.360 nan 0.000 0.440 402 V N 2.389 122.309 119.914 0.012 0.000 2.444 402 V HA 0.415 4.535 4.120 -0.000 0.000 0.294 402 V C -1.082 175.008 176.094 -0.006 0.000 1.022 402 V CA -0.471 61.835 62.300 0.009 0.000 0.850 402 V CB 1.551 33.382 31.823 0.014 0.000 0.992 402 V HN 0.462 nan 8.190 nan 0.000 0.426 403 E N 6.017 126.210 120.200 -0.012 0.000 2.166 403 E HA 0.407 4.757 4.350 -0.000 0.000 0.275 403 E C -1.091 175.490 176.600 -0.033 0.000 0.941 403 E CA -0.420 55.965 56.400 -0.025 0.000 0.784 403 E CB 2.433 32.117 29.700 -0.026 0.000 1.115 403 E HN 0.628 nan 8.360 nan 0.000 0.399 404 L N 4.087 125.289 121.223 -0.035 0.000 2.318 404 L HA 0.309 4.649 4.340 -0.000 0.000 0.277 404 L C -0.726 176.114 176.870 -0.050 0.000 1.008 404 L CA -0.492 54.325 54.840 -0.038 0.000 0.846 404 L CB 1.019 43.081 42.059 0.004 0.000 1.220 404 L HN 0.357 nan 8.230 nan 0.000 0.423 405 D N 4.235 124.586 120.400 -0.081 0.000 2.283 405 D HA 0.175 4.815 4.640 -0.000 0.000 0.248 405 D C 0.530 176.784 176.300 -0.076 0.000 1.072 405 D CA -0.219 53.735 54.000 -0.078 0.000 0.929 405 D CB 1.322 42.063 40.800 -0.098 0.000 1.182 405 D HN 0.426 nan 8.370 nan 0.000 0.433 406 R N 0.612 121.087 120.500 -0.041 0.000 3.422 406 R HA -0.276 4.064 4.340 -0.000 0.000 0.267 406 R C 0.538 176.835 176.300 -0.004 0.000 1.074 406 R CA 0.502 56.592 56.100 -0.018 0.000 0.718 406 R CB -1.431 28.855 30.300 -0.024 0.000 1.157 406 R HN 0.533 nan 8.270 nan 0.000 0.440 407 A N 0.972 123.801 122.820 0.014 0.000 2.066 407 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 407 A C 1.853 179.486 177.584 0.081 0.000 1.157 407 A CA 1.232 53.306 52.037 0.062 0.000 0.670 407 A CB -0.275 18.790 19.000 0.107 0.000 0.804 407 A HN 0.718 nan 8.150 nan 0.000 0.453 408 E N 0.816 121.052 120.200 0.061 0.000 2.401 408 E HA -0.104 4.246 4.350 -0.000 0.000 0.199 408 E C 1.627 178.252 176.600 0.041 0.000 1.023 408 E CA 1.118 57.555 56.400 0.061 0.000 0.859 408 E CB -0.745 28.983 29.700 0.046 0.000 0.780 408 E HN 0.486 nan 8.360 nan 0.000 0.523 409 A N 1.685 124.524 122.820 0.031 0.000 2.024 409 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 409 A C 2.322 179.920 177.584 0.023 0.000 1.164 409 A CA 1.142 53.197 52.037 0.030 0.000 0.643 409 A CB -0.714 18.312 19.000 0.043 0.000 0.806 409 A HN 0.309 nan 8.150 nan 0.000 0.451 410 I N 0.314 120.877 120.570 -0.013 0.000 2.454 410 I HA -0.229 3.941 4.170 -0.000 0.000 0.254 410 I C 1.281 177.382 176.117 -0.027 0.000 1.156 410 I CA 0.781 62.031 61.300 -0.084 0.000 1.433 410 I CB -0.432 37.407 38.000 -0.269 0.000 1.082 410 I HN 0.303 nan 8.210 nan 0.000 0.432 411 N N 0.110 118.817 118.700 0.012 0.000 2.609 411 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 411 N C 1.715 177.221 175.510 -0.007 0.000 1.157 411 N CA 0.822 53.892 53.050 0.033 0.000 0.918 411 N CB -0.269 38.245 38.487 0.046 0.000 0.978 411 N HN 0.282 nan 8.380 nan 0.000 0.448 412 T N -0.362 114.154 114.554 -0.062 0.000 2.915 412 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 412 T C 1.674 176.261 174.700 -0.188 0.000 1.071 412 T CA 1.599 63.611 62.100 -0.147 0.000 1.132 412 T CB 0.101 68.821 68.868 -0.247 0.000 0.878 412 T HN 0.456 nan 8.240 nan 0.000 0.479 413 S N -1.821 113.797 115.700 -0.136 0.000 2.733 413 S HA 0.262 4.732 4.470 -0.000 0.000 0.270 413 S C -0.031 174.628 174.600 0.098 0.000 1.062 413 S CA -0.718 57.450 58.200 -0.052 0.000 1.256 413 S CB 0.136 63.313 63.200 -0.040 0.000 1.187 413 S HN 0.546 nan 8.310 nan 0.000 0.666 414 Y N 1.742 122.029 120.300 -0.022 0.000 2.542 414 Y HA 0.346 4.896 4.550 -0.000 0.000 0.316 414 Y C -2.804 173.125 175.900 0.048 0.000 1.107 414 Y CA -1.892 56.226 58.100 0.030 0.000 1.233 414 Y CB 1.386 39.856 38.460 0.017 0.000 1.111 414 Y HN 0.070 nan 8.280 nan 0.000 0.613 415 P HA -0.180 nan 4.420 nan 0.000 0.216 415 P C 1.218 178.651 177.300 0.221 0.000 1.150 415 P CA 1.878 65.094 63.100 0.194 0.000 0.837 415 P CB 0.238 32.021 31.700 0.138 0.000 0.786 416 S N -2.463 113.427 115.700 0.316 0.000 2.671 416 S HA 0.047 4.517 4.470 -0.000 0.000 0.220 416 S C 1.460 176.150 174.600 0.151 0.000 0.951 416 S CA -0.503 57.849 58.200 0.253 0.000 0.932 416 S CB -1.564 61.792 63.200 0.261 0.000 0.777 416 S HN -0.029 nan 8.310 nan 0.000 0.508 417 F N 2.619 122.382 119.950 -0.312 0.000 2.043 417 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 417 F C 1.483 177.050 175.800 -0.389 0.000 1.118 417 F CA 1.553 59.008 58.000 -0.908 0.000 1.202 417 F CB -0.586 37.684 39.000 -1.216 0.000 0.965 417 F HN 0.273 nan 8.300 nan 0.000 0.482 418 F N 0.688 120.578 119.950 -0.100 0.000 2.293 418 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 418 F C 2.272 177.999 175.800 -0.123 0.000 1.086 418 F CA 1.300 59.214 58.000 -0.143 0.000 1.375 418 F CB -1.000 38.010 39.000 0.016 0.000 1.045 418 F HN 0.011 nan 8.300 nan 0.000 0.516 419 D N 0.226 120.678 120.400 0.087 0.000 2.097 419 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 419 D C 1.852 178.137 176.300 -0.026 0.000 0.984 419 D CA 1.356 55.388 54.000 0.054 0.000 0.826 419 D CB -0.377 40.469 40.800 0.077 0.000 0.973 419 D HN 0.152 nan 8.370 nan 0.000 0.460 420 D N 0.085 120.442 120.400 -0.072 0.000 2.117 420 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 420 D C 2.113 178.185 176.300 -0.381 0.000 0.987 420 D CA 0.276 54.163 54.000 -0.189 0.000 0.829 420 D CB -0.341 40.398 40.800 -0.102 0.000 0.961 420 D HN 0.124 nan 8.370 nan 0.000 0.460 421 L N 1.384 122.398 121.223 -0.348 0.000 2.012 421 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 421 L C 1.883 178.641 176.870 -0.186 0.000 1.073 421 L CA 1.824 56.494 54.840 -0.283 0.000 0.748 421 L CB -0.538 41.460 42.059 -0.102 0.000 0.891 421 L HN -0.121 nan 8.230 nan 0.000 0.431 422 E N -0.101 120.046 120.200 -0.087 0.000 2.118 422 E HA -0.201 4.148 4.350 -0.000 0.000 0.195 422 E C 2.337 178.922 176.600 -0.026 0.000 0.992 422 E CA 1.514 57.891 56.400 -0.038 0.000 0.804 422 E CB -0.402 29.324 29.700 0.043 0.000 0.741 422 E HN 0.779 nan 8.360 nan 0.000 0.458 423 S N 0.367 116.030 115.700 -0.062 0.000 2.423 423 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 423 S C 2.152 176.705 174.600 -0.079 0.000 1.014 423 S CA 0.621 58.796 58.200 -0.042 0.000 0.965 423 S CB -0.382 62.774 63.200 -0.073 0.000 0.785 423 S HN 0.178 nan 8.310 nan 0.000 0.495 424 L N 0.461 121.573 121.223 -0.185 0.000 2.209 424 L HA 0.217 4.557 4.340 -0.000 0.000 0.207 424 L C 2.428 179.205 176.870 -0.154 0.000 1.094 424 L CA 0.702 55.431 54.840 -0.186 0.000 0.790 424 L CB -0.488 41.380 42.059 -0.319 0.000 0.932 424 L HN 0.281 nan 8.230 nan 0.000 0.447 425 I N -1.056 119.378 120.570 -0.226 0.000 2.567 425 I HA -0.197 3.973 4.170 -0.000 0.000 0.257 425 I C 0.562 176.445 176.117 -0.390 0.000 1.184 425 I CA 0.782 61.869 61.300 -0.355 0.000 1.451 425 I CB -0.256 37.479 38.000 -0.442 0.000 1.089 425 I HN 0.252 nan 8.210 nan 0.000 0.441 426 H N 1.283 120.338 119.070 -0.024 0.000 2.581 426 H HA 0.478 5.034 4.556 -0.000 0.000 0.308 426 H C 0.559 175.932 175.328 0.075 0.000 1.040 426 H CA 0.402 56.470 56.048 0.032 0.000 1.231 426 H CB 0.702 30.470 29.762 0.010 0.000 1.396 426 H HN 0.287 nan 8.280 nan 0.000 0.467 427 G N 0.000 108.954 108.800 0.257 0.000 5.446 427 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 427 G CA 0.000 45.226 45.100 0.211 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925