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 1t6p_1_H DATA FIRST_RESID 39 DATA SEQUENCE TTQVTQVDIV EKXLAAPTDS TLELDGYSLN LGDVVSAARK GRPVRVKDSD DATA SEQUENCE EIRSKIDKSV EFLRSQXXXX XXXXXXXXXX XXXXXTEDAI SLQKALLEHQ DATA SEQUENCE LCGVLPSSFD SFRLGRGLEN SLPLEVVRGA XTIRVNSLTR GHSAVRLVVL DATA SEQUENCE EALTNFLNHG ITPIVPLRGT ISXXXDLSPL SYIAAAISGH PDSKVHVVHE DATA SEQUENCE GKEKILYARE AXALFNLEPV VLGPKEGLGL VNGTAVSASX ATLALHDAHX DATA SEQUENCE LSLLSQSLTA XTVEAXVGHA GSFHPFLHDV TRPHPTQIEV AGNIRKLLEG DATA SEQUENCE SRFAVHHEXX XXXXXXXXXX XQDRYPLRTS PQWLGPLVSD LIHAHAVLTI DATA SEQUENCE EAGQSTTDNP LIDVENKTSH HGGNFQAAAV ANTXEKTRLG LAQIGKLNFT DATA SEQUENCE QLTEXLNAGX NRGLPSCLAA EDPSLSYHCK GLDIAAAAYT SELGHLANPV DATA SEQUENCE TTHVQPAEXA NQAVNSLALI SARRTTESND VLSLLLATHL YCVLQAIDLR DATA SEQUENCE AIEFEFKKQF GPAIVSLIDQ HFGSAXTGSN LRDELVEKVN KTLAKRLEQT DATA SEQUENCE NSYDLVPRWH DAFSFAAGTV VEVLSSTSLS LAAVNAWKVA AAESAISLTR DATA SEQUENCE QVRETFWSAA STSSPALSYL SPRTQILYAF VREELGVKAR RGDVFLGKQE DATA SEQUENCE VTIGSNVSKI YEAIKSGRIN NVLLKXLA 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 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.716 174.700 0.027 0.000 1.109 39 T CA 0.000 62.119 62.100 0.031 0.000 1.349 39 T CB 0.000 68.882 68.868 0.023 0.000 0.612 40 T N -0.948 113.618 114.554 0.020 0.000 3.186 40 T HA 0.218 4.568 4.350 -0.000 0.000 0.257 40 T C 0.798 175.503 174.700 0.009 0.000 1.029 40 T CA -0.044 62.066 62.100 0.017 0.000 0.916 40 T CB 0.049 68.927 68.868 0.017 0.000 1.041 40 T HN 0.521 nan 8.240 nan 0.000 0.562 41 Q N 0.522 120.326 119.800 0.007 0.000 2.220 41 Q HA 0.464 4.804 4.340 -0.000 0.000 0.205 41 Q C -0.559 175.438 176.000 -0.005 0.000 0.865 41 Q CA -0.188 55.616 55.803 0.001 0.000 0.960 41 Q CB 1.140 29.879 28.738 0.002 0.000 1.097 41 Q HN 0.409 nan 8.270 nan 0.000 0.493 42 V N 0.309 120.219 119.914 -0.006 0.000 2.903 42 V HA 0.324 4.444 4.120 -0.000 0.000 0.289 42 V C -1.038 175.044 176.094 -0.020 0.000 1.355 42 V CA -0.406 61.883 62.300 -0.018 0.000 0.953 42 V CB 2.136 33.946 31.823 -0.021 0.000 1.102 42 V HN 0.285 nan 8.190 nan 0.000 0.435 43 T N 1.829 116.362 114.554 -0.035 0.000 2.940 43 T HA 0.420 4.770 4.350 -0.000 0.000 0.288 43 T C 0.691 175.351 174.700 -0.066 0.000 1.045 43 T CA 0.178 62.258 62.100 -0.033 0.000 1.018 43 T CB 1.910 70.762 68.868 -0.026 0.000 1.151 43 T HN 0.783 nan 8.240 nan 0.000 0.529 44 Q N 0.008 119.778 119.800 -0.049 0.000 2.170 44 Q HA -0.086 4.254 4.340 -0.000 0.000 0.203 44 Q C 1.889 177.811 176.000 -0.130 0.000 0.976 44 Q CA 1.551 57.305 55.803 -0.082 0.000 0.858 44 Q CB -0.385 28.360 28.738 0.012 0.000 0.907 44 Q HN 0.657 nan 8.270 nan 0.000 0.433 45 V N 1.225 121.089 119.914 -0.083 0.000 2.307 45 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 45 V C 1.738 177.773 176.094 -0.099 0.000 1.045 45 V CA 2.016 64.267 62.300 -0.083 0.000 1.024 45 V CB -0.596 31.194 31.823 -0.055 0.000 0.651 45 V HN 0.419 nan 8.190 nan 0.000 0.449 46 D N 0.217 120.563 120.400 -0.090 0.000 2.106 46 D HA -0.173 4.467 4.640 -0.000 0.000 0.191 46 D C 2.085 178.307 176.300 -0.130 0.000 0.997 46 D CA 1.595 55.542 54.000 -0.088 0.000 0.834 46 D CB -0.264 40.493 40.800 -0.072 0.000 0.956 46 D HN 0.386 nan 8.370 nan 0.000 0.448 47 I N 0.465 120.914 120.570 -0.201 0.000 2.163 47 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 47 I C 2.450 178.379 176.117 -0.313 0.000 1.085 47 I CA 0.669 61.770 61.300 -0.331 0.000 1.347 47 I CB -0.191 37.479 38.000 -0.549 0.000 1.044 47 I HN -0.092 nan 8.210 nan 0.000 0.408 48 V N 0.668 120.410 119.914 -0.285 0.000 2.343 48 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 48 V C 2.492 178.522 176.094 -0.106 0.000 1.051 48 V CA 2.031 64.209 62.300 -0.203 0.000 1.036 48 V CB -0.674 31.050 31.823 -0.165 0.000 0.654 48 V HN 0.491 nan 8.190 nan 0.000 0.451 49 E N 0.600 120.744 120.200 -0.095 0.000 2.097 49 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 49 E C 1.559 178.134 176.600 -0.041 0.000 1.000 49 E CA 1.166 57.531 56.400 -0.059 0.000 0.804 49 E CB 0.052 29.719 29.700 -0.055 0.000 0.740 49 E HN 0.560 nan 8.360 nan 0.000 0.454 53 A N 1.087 123.914 122.820 0.010 0.000 2.238 53 A HA 0.586 4.906 4.320 -0.000 0.000 0.208 53 A C 1.216 178.804 177.584 0.007 0.000 1.177 53 A CA 0.665 52.705 52.037 0.005 0.000 0.804 53 A CB -0.286 18.714 19.000 -0.001 0.000 0.823 53 A HN 0.291 nan 8.150 nan 0.000 0.482 54 A N 1.191 124.017 122.820 0.011 0.000 2.511 54 A HA 0.484 4.804 4.320 -0.000 0.000 0.242 54 A C -2.233 175.353 177.584 0.003 0.000 1.069 54 A CA -0.748 51.293 52.037 0.007 0.000 0.763 54 A CB -0.343 18.660 19.000 0.005 0.000 1.001 54 A HN 0.285 nan 8.150 nan 0.000 0.498 55 P HA 0.331 nan 4.420 nan 0.000 0.274 55 P C 0.716 178.015 177.300 -0.001 0.000 1.237 55 P CA 0.156 63.257 63.100 0.001 0.000 0.793 55 P CB 0.887 32.588 31.700 0.002 0.000 0.977 56 T N -4.157 110.397 114.554 0.000 0.000 3.041 56 T HA 0.127 4.477 4.350 -0.000 0.000 0.276 56 T C 0.400 175.100 174.700 0.001 0.000 0.948 56 T CA 0.144 62.244 62.100 -0.001 0.000 0.885 56 T CB -0.466 68.402 68.868 0.000 0.000 1.175 56 T HN 0.342 nan 8.240 nan 0.000 0.529 57 D N 1.654 122.056 120.400 0.002 0.000 2.470 57 D HA 0.178 4.818 4.640 -0.000 0.000 0.238 57 D C 0.981 177.283 176.300 0.002 0.000 1.054 57 D CA 0.145 54.147 54.000 0.003 0.000 0.896 57 D CB -0.109 40.694 40.800 0.005 0.000 1.118 57 D HN 0.450 nan 8.370 nan 0.000 0.497 58 S N -0.039 115.662 115.700 0.002 0.000 2.586 58 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 58 S C 0.384 174.984 174.600 -0.000 0.000 1.281 58 S CA -0.779 57.422 58.200 0.001 0.000 1.035 58 S CB 0.954 64.156 63.200 0.002 0.000 0.962 58 S HN 0.083 nan 8.310 nan 0.000 0.512 59 T N 2.813 117.366 114.554 -0.001 0.000 2.940 59 T HA 0.137 4.487 4.350 -0.000 0.000 0.309 59 T C 0.028 174.727 174.700 -0.001 0.000 1.056 59 T CA -0.190 61.908 62.100 -0.002 0.000 1.137 59 T CB -0.017 68.850 68.868 -0.001 0.000 0.976 59 T HN 0.616 nan 8.240 nan 0.000 0.547 60 L N 3.297 124.519 121.223 -0.003 0.000 2.264 60 L HA 0.345 4.685 4.340 -0.000 0.000 0.287 60 L C -0.085 176.785 176.870 -0.000 0.000 1.039 60 L CA -0.571 54.268 54.840 -0.002 0.000 0.829 60 L CB 0.576 42.632 42.059 -0.005 0.000 1.211 60 L HN 0.695 nan 8.230 nan 0.000 0.427 61 E N 5.223 125.425 120.200 0.003 0.000 2.200 61 E HA 0.347 4.697 4.350 -0.000 0.000 0.283 61 E C -0.949 175.656 176.600 0.008 0.000 1.015 61 E CA -0.265 56.138 56.400 0.006 0.000 0.819 61 E CB 1.558 31.262 29.700 0.008 0.000 1.081 61 E HN 0.534 nan 8.360 nan 0.000 0.397 62 L N 3.609 124.836 121.223 0.006 0.000 2.264 62 L HA 0.259 4.599 4.340 -0.000 0.000 0.289 62 L C 0.166 177.047 176.870 0.018 0.000 1.044 62 L CA -0.278 54.566 54.840 0.006 0.000 0.807 62 L CB 0.723 42.779 42.059 -0.006 0.000 1.192 62 L HN 0.655 nan 8.230 nan 0.000 0.425 63 D N 0.184 120.607 120.400 0.038 0.000 2.513 63 D HA 0.165 4.805 4.640 -0.000 0.000 0.222 63 D C 1.116 177.504 176.300 0.146 0.000 1.210 63 D CA 0.213 54.258 54.000 0.074 0.000 0.825 63 D CB 0.871 41.716 40.800 0.075 0.000 1.037 63 D HN 0.635 nan 8.370 nan 0.000 0.506 64 G N -0.208 108.620 108.800 0.047 0.000 2.155 64 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.257 64 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.257 64 G C 0.240 174.941 174.900 -0.332 0.000 0.983 64 G CA 0.879 45.915 45.100 -0.107 0.000 0.676 64 G HN 0.420 nan 8.290 nan 0.000 0.528 65 Y N -1.914 118.370 120.300 -0.026 0.000 2.580 65 Y HA 0.363 4.912 4.550 -0.000 0.000 0.290 65 Y C 2.037 177.928 175.900 -0.014 0.000 0.981 65 Y CA 0.521 58.610 58.100 -0.019 0.000 1.120 65 Y CB -0.184 38.265 38.460 -0.019 0.000 1.415 65 Y HN 0.263 nan 8.280 nan 0.000 0.588 66 S N -0.013 115.765 115.700 0.130 0.000 2.486 66 S HA 0.112 4.581 4.470 -0.000 0.000 0.220 66 S C 0.534 175.157 174.600 0.037 0.000 1.011 66 S CA -0.130 58.115 58.200 0.075 0.000 0.921 66 S CB -0.243 62.994 63.200 0.062 0.000 0.785 66 S HN 0.163 nan 8.310 nan 0.000 0.517 67 L N 4.029 125.263 121.223 0.019 0.000 2.559 67 L HA 0.203 4.543 4.340 -0.000 0.000 0.282 67 L C -0.064 176.806 176.870 -0.001 0.000 1.232 67 L CA 0.396 55.236 54.840 0.001 0.000 0.885 67 L CB 0.107 42.155 42.059 -0.018 0.000 1.131 67 L HN 0.512 nan 8.230 nan 0.000 0.498 68 N N 2.832 121.533 118.700 0.003 0.000 2.701 68 N HA 0.359 5.099 4.740 -0.000 0.000 0.290 68 N C 0.230 175.738 175.510 -0.003 0.000 1.338 68 N CA -0.821 52.233 53.050 0.007 0.000 0.799 68 N CB 0.262 38.771 38.487 0.036 0.000 1.491 68 N HN 0.285 nan 8.380 nan 0.000 0.540 69 L N -0.101 121.119 121.223 -0.004 0.000 2.093 69 L HA 0.173 4.513 4.340 -0.000 0.000 0.208 69 L C 2.305 179.190 176.870 0.026 0.000 1.085 69 L CA 2.001 56.837 54.840 -0.006 0.000 0.755 69 L CB -1.533 40.499 42.059 -0.044 0.000 0.904 69 L HN 0.951 nan 8.230 nan 0.000 0.435 70 G N -1.068 107.767 108.800 0.058 0.000 2.422 70 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 70 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 70 G C 1.271 176.164 174.900 -0.011 0.000 1.146 70 G CA 0.827 45.947 45.100 0.034 0.000 0.769 70 G HN 0.324 nan 8.290 nan 0.000 0.547 71 D N -0.025 120.373 120.400 -0.004 0.000 2.097 71 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 71 D C 2.753 179.036 176.300 -0.028 0.000 0.989 71 D CA 0.663 54.655 54.000 -0.013 0.000 0.827 71 D CB -0.242 40.555 40.800 -0.006 0.000 0.966 71 D HN 0.165 nan 8.370 nan 0.000 0.456 72 V N 0.215 120.109 119.914 -0.033 0.000 2.287 72 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 72 V C 2.459 178.516 176.094 -0.063 0.000 1.053 72 V CA 1.211 63.486 62.300 -0.042 0.000 1.027 72 V CB -0.501 31.297 31.823 -0.040 0.000 0.646 72 V HN 0.111 nan 8.190 nan 0.000 0.447 73 V N -0.218 119.636 119.914 -0.100 0.000 2.515 73 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 73 V C 2.503 178.526 176.094 -0.118 0.000 1.058 73 V CA 2.027 64.228 62.300 -0.164 0.000 1.064 73 V CB -0.524 31.076 31.823 -0.371 0.000 0.675 73 V HN 0.553 nan 8.190 nan 0.000 0.461 74 S N 0.600 116.252 115.700 -0.080 0.000 2.356 74 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 74 S C 2.216 176.794 174.600 -0.036 0.000 1.032 74 S CA 1.494 59.664 58.200 -0.049 0.000 1.005 74 S CB -0.427 62.755 63.200 -0.030 0.000 0.867 74 S HN 0.658 nan 8.310 nan 0.000 0.449 75 A N 1.238 124.038 122.820 -0.033 0.000 1.929 75 A HA 0.308 4.628 4.320 -0.000 0.000 0.216 75 A C 2.278 179.849 177.584 -0.022 0.000 1.176 75 A CA 1.424 53.448 52.037 -0.022 0.000 0.628 75 A CB -0.861 18.128 19.000 -0.018 0.000 0.816 75 A HN 0.486 nan 8.150 nan 0.000 0.444 76 A N -0.258 122.541 122.820 -0.034 0.000 1.854 76 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 76 A C 2.253 179.818 177.584 -0.032 0.000 1.192 76 A CA 1.426 53.443 52.037 -0.033 0.000 0.611 76 A CB -0.293 18.681 19.000 -0.043 0.000 0.832 76 A HN 0.477 nan 8.150 nan 0.000 0.442 77 R N -1.284 119.190 120.500 -0.044 0.000 2.237 77 R HA 0.124 4.464 4.340 -0.000 0.000 0.195 77 R C 0.695 176.983 176.300 -0.021 0.000 0.956 77 R CA 0.445 56.524 56.100 -0.035 0.000 1.029 77 R CB 0.225 30.496 30.300 -0.049 0.000 0.972 77 R HN 0.161 nan 8.270 nan 0.000 0.493 78 K N -0.293 120.094 120.400 -0.022 0.000 2.373 78 K HA 0.213 4.533 4.320 -0.000 0.000 0.202 78 K C 0.673 177.272 176.600 -0.002 0.000 1.025 78 K CA 0.450 56.732 56.287 -0.009 0.000 1.115 78 K CB 1.238 33.730 32.500 -0.012 0.000 0.858 78 K HN 0.293 nan 8.250 nan 0.000 0.525 79 G N 2.634 111.433 108.800 -0.002 0.000 2.187 79 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.261 79 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.261 79 G C 0.162 175.061 174.900 -0.001 0.000 1.000 79 G CA 0.571 45.673 45.100 0.004 0.000 0.718 79 G HN 0.413 nan 8.290 nan 0.000 0.519 80 R N 0.746 121.242 120.500 -0.006 0.000 2.484 80 R HA 0.304 4.644 4.340 -0.000 0.000 0.293 80 R C -1.929 174.364 176.300 -0.010 0.000 1.023 80 R CA -0.996 55.100 56.100 -0.008 0.000 1.037 80 R CB 0.278 30.572 30.300 -0.010 0.000 0.951 80 R HN 0.114 nan 8.270 nan 0.000 0.418 81 P HA -0.039 nan 4.420 nan 0.000 0.268 81 P C -1.198 176.094 177.300 -0.014 0.000 1.208 81 P CA -0.095 62.993 63.100 -0.020 0.000 0.777 81 P CB 0.765 32.452 31.700 -0.022 0.000 0.875 82 V N 4.154 124.059 119.914 -0.015 0.000 2.709 82 V HA 0.590 4.710 4.120 -0.000 0.000 0.308 82 V C -0.046 176.044 176.094 -0.006 0.000 1.062 82 V CA -0.582 61.713 62.300 -0.008 0.000 0.901 82 V CB 2.058 33.878 31.823 -0.005 0.000 1.003 82 V HN 0.519 nan 8.190 nan 0.000 0.425 83 R N 1.976 122.475 120.500 -0.002 0.000 2.680 83 R HA 0.555 4.895 4.340 -0.000 0.000 0.269 83 R C -1.366 174.936 176.300 0.003 0.000 1.026 83 R CA -0.820 55.282 56.100 0.002 0.000 0.889 83 R CB 2.483 32.784 30.300 0.003 0.000 1.241 83 R HN 0.533 nan 8.270 nan 0.000 0.463 84 V N 2.315 122.232 119.914 0.005 0.000 2.455 84 V HA 0.127 4.247 4.120 -0.000 0.000 0.273 84 V C 0.453 176.552 176.094 0.008 0.000 1.045 84 V CA -0.171 62.132 62.300 0.005 0.000 0.976 84 V CB 0.668 32.493 31.823 0.004 0.000 0.993 84 V HN 0.660 nan 8.190 nan 0.000 0.475 85 K N 4.872 125.277 120.400 0.009 0.000 2.543 85 K HA -0.115 4.205 4.320 -0.000 0.000 0.279 85 K C 0.031 176.637 176.600 0.009 0.000 1.001 85 K CA 0.388 56.681 56.287 0.010 0.000 1.088 85 K CB 0.163 32.671 32.500 0.013 0.000 0.863 85 K HN 0.929 nan 8.250 nan 0.000 0.488 86 D N 2.867 123.272 120.400 0.009 0.000 2.359 86 D HA 0.099 4.739 4.640 -0.000 0.000 0.250 86 D C -1.243 175.061 176.300 0.007 0.000 1.264 86 D CA 0.318 54.323 54.000 0.008 0.000 0.911 86 D CB 0.369 41.174 40.800 0.009 0.000 1.056 86 D HN 0.427 nan 8.370 nan 0.000 0.499 87 S N 2.958 118.662 115.700 0.006 0.000 2.543 87 S HA 0.221 4.691 4.470 -0.000 0.000 0.274 87 S C 0.200 174.802 174.600 0.004 0.000 1.149 87 S CA -0.757 57.445 58.200 0.004 0.000 0.866 87 S CB 1.235 64.436 63.200 0.002 0.000 1.111 87 S HN 0.219 nan 8.310 nan 0.000 0.457 88 D N 2.458 122.859 120.400 0.002 0.000 2.117 88 D HA -0.032 4.608 4.640 -0.000 0.000 0.198 88 D C 1.485 177.786 176.300 0.002 0.000 0.982 88 D CA 1.400 55.402 54.000 0.003 0.000 0.828 88 D CB -0.090 40.712 40.800 0.002 0.000 0.967 88 D HN 0.663 nan 8.370 nan 0.000 0.464 89 E N 0.801 120.999 120.200 -0.003 0.000 2.070 89 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 89 E C 2.264 178.863 176.600 -0.002 0.000 1.004 89 E CA 0.598 56.994 56.400 -0.006 0.000 0.805 89 E CB -0.308 29.383 29.700 -0.015 0.000 0.744 89 E HN 0.348 nan 8.360 nan 0.000 0.451 90 I N 0.864 121.435 120.570 0.002 0.000 2.072 90 I HA -0.272 3.898 4.170 -0.000 0.000 0.235 90 I C 1.951 178.071 176.117 0.005 0.000 1.058 90 I CA 1.519 62.823 61.300 0.006 0.000 1.320 90 I CB -0.393 37.613 38.000 0.010 0.000 1.047 90 I HN 0.105 nan 8.210 nan 0.000 0.397 91 R N 0.402 120.906 120.500 0.007 0.000 2.514 91 R HA 0.020 4.360 4.340 -0.000 0.000 0.216 91 R C 1.356 177.662 176.300 0.011 0.000 1.295 91 R CA 0.713 56.818 56.100 0.009 0.000 1.246 91 R CB -0.255 30.051 30.300 0.010 0.000 1.057 91 R HN 0.219 nan 8.270 nan 0.000 0.490 92 S N 1.278 116.983 115.700 0.009 0.000 2.748 92 S HA -0.019 4.451 4.470 -0.000 0.000 0.241 92 S C 1.590 176.198 174.600 0.014 0.000 1.064 92 S CA -0.085 58.122 58.200 0.012 0.000 0.892 92 S CB 0.189 63.394 63.200 0.007 0.000 0.810 92 S HN 0.545 nan 8.310 nan 0.000 0.555 93 K N 0.912 121.317 120.400 0.009 0.000 2.288 93 K HA 0.117 4.437 4.320 -0.000 0.000 0.201 93 K C 1.809 178.417 176.600 0.013 0.000 1.048 93 K CA 1.190 57.483 56.287 0.009 0.000 0.956 93 K CB -0.342 32.158 32.500 -0.000 0.000 0.746 93 K HN 0.406 nan 8.250 nan 0.000 0.461 94 I N 1.973 122.550 120.570 0.011 0.000 2.333 94 I HA -0.181 3.989 4.170 -0.000 0.000 0.246 94 I C 1.395 177.531 176.117 0.031 0.000 1.106 94 I CA 1.083 62.392 61.300 0.016 0.000 1.411 94 I CB -0.226 37.780 38.000 0.010 0.000 1.082 94 I HN 0.126 nan 8.210 nan 0.000 0.420 95 D N 1.046 121.464 120.400 0.030 0.000 2.117 95 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 95 D C 2.153 178.484 176.300 0.052 0.000 0.982 95 D CA 0.944 54.966 54.000 0.037 0.000 0.828 95 D CB -0.184 40.634 40.800 0.029 0.000 0.967 95 D HN 0.127 nan 8.370 nan 0.000 0.464 96 K N 0.771 121.202 120.400 0.051 0.000 2.097 96 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 96 K C 2.213 178.876 176.600 0.106 0.000 1.049 96 K CA 1.008 57.336 56.287 0.069 0.000 0.933 96 K CB -0.468 32.060 32.500 0.046 0.000 0.717 96 K HN 0.238 nan 8.250 nan 0.000 0.442 97 S N 0.432 116.186 115.700 0.089 0.000 2.406 97 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 97 S C 2.212 176.910 174.600 0.164 0.000 1.020 97 S CA 0.880 59.154 58.200 0.123 0.000 0.965 97 S CB -0.441 62.809 63.200 0.084 0.000 0.798 97 S HN -0.015 nan 8.310 nan 0.000 0.488 98 V N 1.993 121.973 119.914 0.110 0.000 2.453 98 V HA -0.069 4.051 4.120 -0.000 0.000 0.247 98 V C 2.699 178.847 176.094 0.091 0.000 1.048 98 V CA 1.870 64.224 62.300 0.090 0.000 1.049 98 V CB -0.744 31.113 31.823 0.057 0.000 0.672 98 V HN 0.527 nan 8.190 nan 0.000 0.457 99 E N -0.483 119.777 120.200 0.100 0.000 2.047 99 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 99 E C 2.029 178.691 176.600 0.102 0.000 0.987 99 E CA 1.507 57.958 56.400 0.085 0.000 0.799 99 E CB -0.231 29.521 29.700 0.086 0.000 0.752 99 E HN 0.582 nan 8.360 nan 0.000 0.449 100 F N 1.570 121.534 119.950 0.022 0.000 2.091 100 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 100 F C 1.930 177.744 175.800 0.023 0.000 1.103 100 F CA 1.376 59.390 58.000 0.023 0.000 1.228 100 F CB -0.250 38.768 39.000 0.029 0.000 0.984 100 F HN -0.037 nan 8.300 nan 0.000 0.477 101 L N 0.032 121.267 121.223 0.021 0.000 1.961 101 L HA -0.274 4.065 4.340 -0.000 0.000 0.210 101 L C 2.799 179.596 176.870 -0.121 0.000 1.072 101 L CA 1.945 56.744 54.840 -0.069 0.000 0.749 101 L CB -0.698 41.392 42.059 0.051 0.000 0.889 101 L HN 0.139 nan 8.230 nan 0.000 0.432 102 R N 0.611 121.081 120.500 -0.050 0.000 2.196 102 R HA -0.239 4.101 4.340 -0.000 0.000 0.244 102 R C 1.081 177.330 176.300 -0.084 0.000 1.121 102 R CA 1.931 58.003 56.100 -0.047 0.000 0.930 102 R CB -0.706 29.583 30.300 -0.017 0.000 0.890 102 R HN 0.503 nan 8.270 nan 0.000 0.435 103 S N 1.605 117.234 115.700 -0.118 0.000 2.589 103 S HA 0.073 4.542 4.470 -0.000 0.000 0.306 103 S C -0.482 174.014 174.600 -0.173 0.000 1.221 103 S CA 0.105 58.226 58.200 -0.132 0.000 1.159 103 S CB 0.249 63.365 63.200 -0.140 0.000 0.990 103 S HN 0.534 nan 8.310 nan 0.000 0.514 125 E N 2.790 122.988 120.200 -0.004 0.000 2.051 125 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 125 E C 1.082 177.680 176.600 -0.002 0.000 0.991 125 E CA 2.170 58.568 56.400 -0.003 0.000 0.799 125 E CB -0.303 29.395 29.700 -0.004 0.000 0.748 125 E HN 0.456 nan 8.360 nan 0.000 0.449 126 D N 0.009 120.408 120.400 -0.002 0.000 2.371 126 D HA 0.014 4.654 4.640 -0.000 0.000 0.221 126 D C 1.415 177.716 176.300 0.001 0.000 0.986 126 D CA 0.953 54.953 54.000 -0.001 0.000 0.899 126 D CB -0.201 40.598 40.800 -0.002 0.000 0.902 126 D HN 0.339 nan 8.370 nan 0.000 0.530 127 A N 0.659 123.480 122.820 0.001 0.000 1.898 127 A HA 0.031 4.351 4.320 -0.000 0.000 0.214 127 A C 2.083 179.671 177.584 0.006 0.000 1.183 127 A CA 0.300 52.340 52.037 0.004 0.000 0.622 127 A CB -0.518 18.483 19.000 0.003 0.000 0.824 127 A HN 0.286 nan 8.150 nan 0.000 0.444 128 I N -0.529 120.044 120.570 0.004 0.000 2.761 128 I HA -0.124 4.046 4.170 -0.000 0.000 0.261 128 I C 2.020 178.140 176.117 0.005 0.000 1.198 128 I CA 1.162 62.465 61.300 0.004 0.000 1.482 128 I CB 0.084 38.084 38.000 0.001 0.000 1.100 128 I HN 0.243 nan 8.210 nan 0.000 0.445 129 S N 0.926 116.629 115.700 0.005 0.000 2.345 129 S HA -0.139 4.331 4.470 -0.000 0.000 0.219 129 S C 1.785 176.393 174.600 0.013 0.000 1.031 129 S CA 1.072 59.276 58.200 0.007 0.000 0.984 129 S CB -0.406 62.796 63.200 0.004 0.000 0.874 129 S HN 0.343 nan 8.310 nan 0.000 0.451 130 L N 1.876 123.107 121.223 0.013 0.000 1.990 130 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 130 L C 2.454 179.342 176.870 0.030 0.000 1.072 130 L CA 1.855 56.707 54.840 0.020 0.000 0.755 130 L CB -0.869 41.200 42.059 0.017 0.000 0.889 130 L HN 0.193 nan 8.230 nan 0.000 0.432 131 Q N -0.569 119.245 119.800 0.024 0.000 2.112 131 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 131 Q C 2.207 178.223 176.000 0.026 0.000 0.987 131 Q CA 1.979 57.796 55.803 0.023 0.000 0.858 131 Q CB -0.094 28.653 28.738 0.015 0.000 0.905 131 Q HN 0.448 nan 8.270 nan 0.000 0.420 132 K N -0.869 119.546 120.400 0.025 0.000 2.148 132 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 132 K C 1.972 178.600 176.600 0.047 0.000 1.050 132 K CA 1.010 57.314 56.287 0.029 0.000 0.942 132 K CB -0.125 32.384 32.500 0.016 0.000 0.724 132 K HN 0.203 nan 8.250 nan 0.000 0.446 133 A N 1.368 124.221 122.820 0.054 0.000 1.930 133 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 133 A C 2.072 179.759 177.584 0.172 0.000 1.175 133 A CA 0.944 53.031 52.037 0.085 0.000 0.627 133 A CB -0.390 18.643 19.000 0.055 0.000 0.815 133 A HN 0.233 nan 8.150 nan 0.000 0.443 134 L N -0.256 121.049 121.223 0.136 0.000 2.056 134 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 134 L C 2.137 178.979 176.870 -0.047 0.000 1.078 134 L CA 1.650 56.579 54.840 0.148 0.000 0.749 134 L CB -0.435 41.670 42.059 0.076 0.000 0.901 134 L HN 0.376 nan 8.230 nan 0.000 0.433 135 L N -0.634 120.567 121.223 -0.037 0.000 2.109 135 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 135 L C 2.542 179.339 176.870 -0.120 0.000 1.086 135 L CA 1.395 56.172 54.840 -0.106 0.000 0.760 135 L CB -0.590 41.446 42.059 -0.039 0.000 0.910 135 L HN 0.468 nan 8.230 nan 0.000 0.437 136 E N 0.400 120.595 120.200 -0.008 0.000 2.058 136 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 136 E C 2.114 178.722 176.600 0.013 0.000 0.997 136 E CA 1.738 58.153 56.400 0.024 0.000 0.801 136 E CB -0.114 29.633 29.700 0.078 0.000 0.746 136 E HN 0.659 nan 8.360 nan 0.000 0.450 137 H N -1.053 118.004 119.070 -0.022 0.000 2.535 137 H HA 0.032 4.588 4.556 -0.000 0.000 0.273 137 H C 1.601 176.916 175.328 -0.020 0.000 0.983 137 H CA 0.972 57.009 56.048 -0.018 0.000 1.238 137 H CB 0.189 29.944 29.762 -0.012 0.000 1.412 137 H HN 0.173 nan 8.280 nan 0.000 0.562 138 Q N 1.027 120.509 119.800 -0.529 0.000 2.398 138 Q HA 0.220 4.560 4.340 -0.000 0.000 0.204 138 Q C 1.158 177.052 176.000 -0.176 0.000 0.932 138 Q CA 0.121 55.700 55.803 -0.374 0.000 0.916 138 Q CB 0.185 28.671 28.738 -0.420 0.000 1.024 138 Q HN 0.451 nan 8.270 nan 0.000 0.504 139 L N 1.078 122.150 121.223 -0.251 0.000 2.821 139 L HA 0.100 4.440 4.340 -0.000 0.000 0.239 139 L C 0.329 177.164 176.870 -0.058 0.000 1.391 139 L CA -0.309 54.306 54.840 -0.374 0.000 1.231 139 L CB -0.473 41.262 42.059 -0.539 0.000 1.598 139 L HN 0.372 nan 8.230 nan 0.000 0.428 140 C N -3.340 116.007 119.300 0.078 0.000 3.000 140 C HA 0.477 4.937 4.460 -0.000 0.000 0.286 140 C C 1.294 176.355 174.990 0.119 0.000 1.343 140 C CA -0.768 58.304 59.018 0.090 0.000 1.742 140 C CB -1.279 26.495 27.740 0.057 0.000 2.200 140 C HN 0.481 nan 8.230 nan 0.000 0.621 141 G N 0.559 109.481 108.800 0.202 0.000 2.562 141 G HA2 0.462 4.422 3.960 -0.000 0.000 0.275 141 G HA3 0.462 4.422 3.960 -0.000 0.000 0.275 141 G C -0.595 174.319 174.900 0.023 0.000 1.196 141 G CA 0.011 45.140 45.100 0.049 0.000 0.908 141 G HN 0.818 nan 8.290 nan 0.000 0.524 142 V N 0.774 120.666 119.914 -0.036 0.000 2.398 142 V HA 0.774 4.894 4.120 -0.000 0.000 0.286 142 V C -0.997 175.059 176.094 -0.064 0.000 1.026 142 V CA -0.609 61.672 62.300 -0.032 0.000 0.868 142 V CB 0.863 32.671 31.823 -0.026 0.000 0.982 142 V HN 0.497 nan 8.190 nan 0.000 0.443 143 L N 7.085 128.280 121.223 -0.047 0.000 2.359 143 L HA 0.707 5.047 4.340 -0.000 0.000 0.256 143 L C -2.277 174.568 176.870 -0.042 0.000 1.026 143 L CA -1.607 53.200 54.840 -0.054 0.000 0.828 143 L CB 1.757 43.786 42.059 -0.049 0.000 1.406 143 L HN 0.538 nan 8.230 nan 0.000 0.413 144 P HA 0.095 nan 4.420 nan 0.000 0.266 144 P C 0.282 177.539 177.300 -0.072 0.000 1.195 144 P CA -0.103 62.972 63.100 -0.041 0.000 0.768 144 P CB 0.728 32.432 31.700 0.006 0.000 0.838 145 S N 0.763 116.421 115.700 -0.071 0.000 2.489 145 S HA -0.005 4.465 4.470 -0.000 0.000 0.228 145 S C 1.139 175.637 174.600 -0.170 0.000 0.995 145 S CA 0.757 58.907 58.200 -0.085 0.000 0.934 145 S CB -0.421 62.757 63.200 -0.037 0.000 0.771 145 S HN 0.748 nan 8.310 nan 0.000 0.522 146 S N -0.298 115.237 115.700 -0.275 0.000 4.244 146 S HA 0.631 5.101 4.470 -0.000 0.000 0.239 146 S C -0.703 173.247 174.600 -1.084 0.000 1.097 146 S CA -0.542 57.370 58.200 -0.480 0.000 1.376 146 S CB -0.266 62.855 63.200 -0.131 0.000 1.691 146 S HN 0.219 nan 8.310 nan 0.000 0.661 147 F N 1.071 121.012 119.950 -0.014 0.000 2.944 147 F HA 0.450 4.977 4.527 -0.000 0.000 0.332 147 F C 0.473 176.316 175.800 0.071 0.000 1.215 147 F CA -0.568 57.336 58.000 -0.159 0.000 1.079 147 F CB 0.812 39.578 39.000 -0.390 0.000 1.272 147 F HN 0.345 nan 8.300 nan 0.000 0.509 148 D N -0.202 120.301 120.400 0.171 0.000 2.340 148 D HA 0.023 4.663 4.640 -0.000 0.000 0.220 148 D C 1.699 178.092 176.300 0.155 0.000 1.039 148 D CA 0.891 54.976 54.000 0.143 0.000 0.866 148 D CB 0.303 41.154 40.800 0.085 0.000 0.913 148 D HN 0.293 nan 8.370 nan 0.000 0.523 149 S N -0.713 115.126 115.700 0.231 0.000 2.603 149 S HA 0.130 4.600 4.470 -0.000 0.000 0.232 149 S C 0.404 175.111 174.600 0.178 0.000 1.016 149 S CA -0.595 57.698 58.200 0.155 0.000 0.976 149 S CB -0.318 62.921 63.200 0.065 0.000 0.921 149 S HN -0.096 nan 8.310 nan 0.000 0.516 150 F N 4.255 124.243 119.950 0.063 0.000 2.573 150 F HA 0.466 4.993 4.527 -0.000 0.000 0.349 150 F C 1.168 177.009 175.800 0.069 0.000 1.213 150 F CA -1.193 56.859 58.000 0.087 0.000 1.300 150 F CB -0.069 39.032 39.000 0.168 0.000 1.661 150 F HN -0.048 nan 8.300 nan 0.000 0.616 151 R N 0.561 121.140 120.500 0.133 0.000 2.919 151 R HA 0.142 4.482 4.340 -0.000 0.000 0.284 151 R C -0.158 176.198 176.300 0.094 0.000 1.104 151 R CA -0.878 55.278 56.100 0.094 0.000 1.207 151 R CB 0.324 30.649 30.300 0.043 0.000 1.162 151 R HN 0.333 nan 8.270 nan 0.000 0.561 152 L N 0.869 122.134 121.223 0.070 0.000 2.433 152 L HA 0.208 4.548 4.340 -0.000 0.000 0.275 152 L C 1.025 177.923 176.870 0.046 0.000 1.128 152 L CA 1.554 56.432 54.840 0.064 0.000 0.875 152 L CB 0.298 42.387 42.059 0.050 0.000 1.171 152 L HN 0.900 nan 8.230 nan 0.000 0.463 153 G N 3.363 112.195 108.800 0.053 0.000 2.179 153 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 153 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 153 G C 0.426 175.332 174.900 0.010 0.000 0.977 153 G CA 0.315 45.436 45.100 0.035 0.000 0.641 153 G HN 0.659 nan 8.290 nan 0.000 0.533 154 R N -1.526 118.970 120.500 -0.005 0.000 2.869 154 R HA 0.781 5.121 4.340 -0.000 0.000 0.263 154 R C 0.907 177.099 176.300 -0.181 0.000 1.066 154 R CA 0.052 56.108 56.100 -0.073 0.000 0.960 154 R CB 1.183 31.441 30.300 -0.070 0.000 1.221 154 R HN 1.117 nan 8.270 nan 0.000 0.474 155 G N -0.420 108.167 108.800 -0.355 0.000 3.288 155 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.195 155 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.195 155 G C 0.161 174.558 174.900 -0.839 0.000 1.093 155 G CA -0.398 44.158 45.100 -0.906 0.000 0.852 155 G HN 0.335 nan 8.290 nan 0.000 0.453 156 L N 1.539 122.535 121.223 -0.378 0.000 2.928 156 L HA 0.353 4.693 4.340 -0.000 0.000 0.246 156 L C 1.727 178.525 176.870 -0.121 0.000 1.239 156 L CA -0.114 54.619 54.840 -0.179 0.000 1.035 156 L CB 0.688 42.742 42.059 -0.008 0.000 1.360 156 L HN 0.144 nan 8.230 nan 0.000 0.529 157 E N 0.334 120.451 120.200 -0.140 0.000 2.085 157 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 157 E C 1.447 177.997 176.600 -0.084 0.000 0.994 157 E CA 1.086 57.429 56.400 -0.094 0.000 0.801 157 E CB -0.084 29.561 29.700 -0.090 0.000 0.743 157 E HN 0.329 nan 8.360 nan 0.000 0.453 158 N N 0.524 119.166 118.700 -0.096 0.000 2.571 158 N HA -0.031 4.709 4.740 -0.000 0.000 0.189 158 N C -0.174 175.282 175.510 -0.090 0.000 1.154 158 N CA 0.465 53.464 53.050 -0.087 0.000 0.907 158 N CB 0.011 38.446 38.487 -0.087 0.000 0.977 158 N HN 0.146 nan 8.380 nan 0.000 0.449 159 S N -0.236 115.416 115.700 -0.080 0.000 2.593 159 S HA 0.451 4.921 4.470 -0.000 0.000 0.297 159 S C -0.126 174.430 174.600 -0.072 0.000 1.112 159 S CA -0.942 57.210 58.200 -0.080 0.000 1.043 159 S CB 1.995 65.169 63.200 -0.043 0.000 1.054 159 S HN -0.004 nan 8.310 nan 0.000 0.516 160 L N 2.229 123.403 121.223 -0.082 0.000 2.426 160 L HA 0.456 4.796 4.340 -0.000 0.000 0.271 160 L C -2.355 174.484 176.870 -0.052 0.000 1.169 160 L CA -1.518 53.282 54.840 -0.066 0.000 0.836 160 L CB -0.244 41.772 42.059 -0.071 0.000 1.112 160 L HN 0.549 nan 8.230 nan 0.000 0.465 161 P HA 0.033 nan 4.420 nan 0.000 0.269 161 P C 0.419 177.689 177.300 -0.050 0.000 1.209 161 P CA -0.371 62.702 63.100 -0.045 0.000 0.776 161 P CB 0.558 32.237 31.700 -0.034 0.000 0.876 162 L N 2.685 123.865 121.223 -0.072 0.000 2.079 162 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 162 L C 2.187 179.029 176.870 -0.046 0.000 1.081 162 L CA 1.848 56.641 54.840 -0.078 0.000 0.752 162 L CB -1.421 40.546 42.059 -0.153 0.000 0.896 162 L HN 0.543 nan 8.230 nan 0.000 0.433 163 E N -1.345 118.830 120.200 -0.042 0.000 2.204 163 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 163 E C 2.021 178.606 176.600 -0.025 0.000 0.990 163 E CA 1.325 57.706 56.400 -0.031 0.000 0.821 163 E CB -0.488 29.195 29.700 -0.030 0.000 0.750 163 E HN 0.317 nan 8.360 nan 0.000 0.477 164 V N 1.527 121.426 119.914 -0.025 0.000 2.323 164 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 164 V C 2.417 178.502 176.094 -0.015 0.000 1.041 164 V CA 1.410 63.698 62.300 -0.020 0.000 1.025 164 V CB 0.136 31.947 31.823 -0.021 0.000 0.656 164 V HN 0.343 nan 8.190 nan 0.000 0.451 165 V N 0.278 120.184 119.914 -0.013 0.000 2.343 165 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 165 V C 2.585 178.683 176.094 0.008 0.000 1.051 165 V CA 2.119 64.418 62.300 -0.000 0.000 1.036 165 V CB -0.531 31.297 31.823 0.009 0.000 0.654 165 V HN 0.484 nan 8.190 nan 0.000 0.451 166 R N 0.066 120.570 120.500 0.006 0.000 2.096 166 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 166 R C 2.384 178.684 176.300 0.000 0.000 1.127 166 R CA 1.456 57.563 56.100 0.012 0.000 0.968 166 R CB -0.901 29.403 30.300 0.007 0.000 0.861 166 R HN 0.659 nan 8.270 nan 0.000 0.440 167 G N 0.970 109.764 108.800 -0.010 0.000 2.402 167 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 167 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 167 G C 0.697 175.589 174.900 -0.013 0.000 1.162 167 G CA 0.600 45.690 45.100 -0.016 0.000 0.777 167 G HN 0.442 nan 8.290 nan 0.000 0.539 171 I N 1.451 122.007 120.570 -0.023 0.000 2.353 171 I HA -0.054 4.116 4.170 -0.000 0.000 0.248 171 I C 2.649 178.747 176.117 -0.031 0.000 1.119 171 I CA 1.263 62.545 61.300 -0.030 0.000 1.417 171 I CB -0.172 37.812 38.000 -0.027 0.000 1.078 171 I HN 0.093 nan 8.210 nan 0.000 0.421 172 R N 1.309 121.795 120.500 -0.024 0.000 2.096 172 R HA -0.160 4.180 4.340 -0.000 0.000 0.229 172 R C 2.205 178.487 176.300 -0.030 0.000 1.134 172 R CA 2.093 58.179 56.100 -0.023 0.000 0.917 172 R CB -0.973 29.314 30.300 -0.022 0.000 0.832 172 R HN 0.078 nan 8.270 nan 0.000 0.430 173 V N 1.511 121.408 119.914 -0.029 0.000 2.250 173 V HA -0.349 3.771 4.120 -0.000 0.000 0.250 173 V C 2.182 178.255 176.094 -0.037 0.000 1.060 173 V CA 2.390 64.673 62.300 -0.029 0.000 1.030 173 V CB -1.023 30.788 31.823 -0.021 0.000 0.643 173 V HN 0.575 nan 8.190 nan 0.000 0.445 174 N N -0.212 118.464 118.700 -0.040 0.000 2.094 174 N HA -0.220 4.520 4.740 -0.000 0.000 0.191 174 N C 1.976 177.432 175.510 -0.089 0.000 1.023 174 N CA 1.875 54.892 53.050 -0.056 0.000 0.857 174 N CB -0.306 38.148 38.487 -0.056 0.000 1.013 174 N HN 0.375 nan 8.380 nan 0.000 0.426 175 S N -0.750 114.900 115.700 -0.083 0.000 2.402 175 S HA 0.092 4.562 4.470 -0.000 0.000 0.229 175 S C 1.494 176.038 174.600 -0.093 0.000 1.021 175 S CA 0.511 58.651 58.200 -0.100 0.000 0.974 175 S CB -0.239 62.926 63.200 -0.059 0.000 0.800 175 S HN 0.372 nan 8.310 nan 0.000 0.484 176 L N 1.715 122.901 121.223 -0.061 0.000 2.650 176 L HA 0.054 4.394 4.340 -0.000 0.000 0.235 176 L C 1.995 178.830 176.870 -0.059 0.000 1.149 176 L CA 0.975 55.786 54.840 -0.048 0.000 0.887 176 L CB -0.604 41.440 42.059 -0.026 0.000 1.021 176 L HN 0.475 nan 8.230 nan 0.000 0.441 177 T N -4.536 109.973 114.554 -0.076 0.000 3.081 177 T HA 0.027 4.377 4.350 -0.000 0.000 0.250 177 T C 1.635 176.289 174.700 -0.076 0.000 1.100 177 T CA -0.179 61.888 62.100 -0.054 0.000 1.038 177 T CB -0.004 68.848 68.868 -0.027 0.000 0.962 177 T HN 0.319 nan 8.240 nan 0.000 0.516 178 R N 1.207 121.600 120.500 -0.178 0.000 2.310 178 R HA 0.376 4.716 4.340 -0.000 0.000 0.202 178 R C 1.462 177.529 176.300 -0.388 0.000 0.933 178 R CA 0.228 56.147 56.100 -0.302 0.000 1.054 178 R CB -0.199 29.745 30.300 -0.593 0.000 0.985 178 R HN 0.438 nan 8.270 nan 0.000 0.489 179 G N 1.619 110.298 108.800 -0.202 0.000 2.333 179 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.296 179 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.296 179 G C -0.004 174.911 174.900 0.024 0.000 1.059 179 G CA 0.519 45.575 45.100 -0.074 0.000 1.050 179 G HN 0.658 nan 8.290 nan 0.000 0.508 180 H N -1.048 118.022 119.070 -0.000 0.000 3.017 180 H HA 0.197 4.753 4.556 -0.000 0.000 0.255 180 H C 2.169 177.504 175.328 0.011 0.000 0.990 180 H CA 0.528 56.570 56.048 -0.010 0.000 1.205 180 H CB 0.816 30.566 29.762 -0.021 0.000 1.460 180 H HN 0.601 nan 8.280 nan 0.000 0.478 181 S N 0.484 116.264 115.700 0.134 0.000 2.664 181 S HA 0.450 4.920 4.470 -0.000 0.000 0.245 181 S C 0.810 175.461 174.600 0.084 0.000 1.019 181 S CA -0.002 58.258 58.200 0.100 0.000 0.996 181 S CB 0.491 63.737 63.200 0.078 0.000 0.878 181 S HN 0.409 nan 8.310 nan 0.000 0.493 182 A N 0.438 123.312 122.820 0.090 0.000 1.897 182 A HA -0.011 4.309 4.320 -0.000 0.000 0.251 182 A C 0.099 177.718 177.584 0.058 0.000 1.288 182 A CA 0.791 52.879 52.037 0.085 0.000 0.747 182 A CB -1.935 17.137 19.000 0.120 0.000 1.182 182 A HN 1.553 nan 8.150 nan 0.000 0.292 183 V N 3.916 123.854 119.914 0.040 0.000 2.577 183 V HA 0.632 4.752 4.120 -0.000 0.000 0.303 183 V C 0.584 176.689 176.094 0.019 0.000 1.042 183 V CA -0.965 61.350 62.300 0.025 0.000 0.872 183 V CB 1.487 33.320 31.823 0.016 0.000 0.998 183 V HN 0.879 nan 8.190 nan 0.000 0.423 184 R N 3.667 124.178 120.500 0.017 0.000 2.619 184 R HA 0.013 4.353 4.340 -0.000 0.000 0.268 184 R C 1.103 177.409 176.300 0.009 0.000 0.990 184 R CA 0.306 56.414 56.100 0.015 0.000 1.092 184 R CB 0.272 30.580 30.300 0.014 0.000 0.935 184 R HN 0.783 nan 8.270 nan 0.000 0.415 185 L N 4.779 126.009 121.223 0.011 0.000 2.201 185 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 185 L C 1.789 178.665 176.870 0.010 0.000 1.105 185 L CA 1.455 56.300 54.840 0.009 0.000 0.775 185 L CB -0.288 41.778 42.059 0.011 0.000 0.913 185 L HN 0.616 nan 8.230 nan 0.000 0.440 186 V N -1.326 118.595 119.914 0.012 0.000 2.594 186 V HA -0.199 3.921 4.120 -0.000 0.000 0.253 186 V C 2.267 178.366 176.094 0.008 0.000 1.069 186 V CA 1.893 64.202 62.300 0.015 0.000 1.082 186 V CB -0.093 31.740 31.823 0.017 0.000 0.680 186 V HN 0.338 nan 8.190 nan 0.000 0.469 187 V N -0.241 119.672 119.914 -0.003 0.000 2.346 187 V HA -0.124 3.996 4.120 -0.000 0.000 0.244 187 V C 2.389 178.465 176.094 -0.029 0.000 1.037 187 V CA 1.744 64.032 62.300 -0.021 0.000 1.029 187 V CB -0.526 31.284 31.823 -0.022 0.000 0.663 187 V HN 0.480 nan 8.190 nan 0.000 0.454 188 L N 0.123 121.335 121.223 -0.017 0.000 2.187 188 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 188 L C 2.326 179.191 176.870 -0.008 0.000 1.100 188 L CA 1.749 56.578 54.840 -0.018 0.000 0.765 188 L CB -0.841 41.212 42.059 -0.011 0.000 0.904 188 L HN 0.415 nan 8.230 nan 0.000 0.437 189 E N -0.980 119.223 120.200 0.005 0.000 2.371 189 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 189 E C 2.233 178.858 176.600 0.043 0.000 1.012 189 E CA 0.668 57.084 56.400 0.026 0.000 0.860 189 E CB -0.054 29.666 29.700 0.034 0.000 0.811 189 E HN 0.498 nan 8.360 nan 0.000 0.502 190 A N 1.240 124.067 122.820 0.012 0.000 1.929 190 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 190 A C 2.145 179.703 177.584 -0.043 0.000 1.176 190 A CA 0.725 52.766 52.037 0.006 0.000 0.628 190 A CB -0.392 18.567 19.000 -0.068 0.000 0.816 190 A HN 0.109 nan 8.150 nan 0.000 0.444 191 L N -0.086 121.083 121.223 -0.089 0.000 2.027 191 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 191 L C 3.054 179.949 176.870 0.042 0.000 1.074 191 L CA 1.873 56.657 54.840 -0.094 0.000 0.745 191 L CB -0.963 41.047 42.059 -0.081 0.000 0.898 191 L HN 0.640 nan 8.230 nan 0.000 0.433 192 T N -3.385 111.195 114.554 0.043 0.000 2.867 192 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 192 T C 1.700 176.452 174.700 0.087 0.000 1.057 192 T CA 1.158 63.289 62.100 0.051 0.000 1.136 192 T CB -0.346 68.538 68.868 0.027 0.000 0.874 192 T HN 0.226 nan 8.240 nan 0.000 0.466 193 N N 0.657 119.451 118.700 0.157 0.000 2.188 193 N HA 0.034 4.774 4.740 -0.000 0.000 0.184 193 N C 1.434 177.121 175.510 0.295 0.000 1.018 193 N CA 0.892 54.084 53.050 0.236 0.000 0.858 193 N CB -0.533 38.148 38.487 0.323 0.000 0.989 193 N HN 0.352 nan 8.380 nan 0.000 0.426 194 F N 1.644 121.615 119.950 0.035 0.000 2.134 194 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 194 F C 2.304 178.094 175.800 -0.016 0.000 1.097 194 F CA 0.628 58.626 58.000 -0.003 0.000 1.264 194 F CB -0.710 38.284 39.000 -0.009 0.000 1.001 194 F HN -0.042 nan 8.300 nan 0.000 0.479 195 L N -0.348 120.983 121.223 0.180 0.000 1.994 195 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 195 L C 2.193 179.068 176.870 0.008 0.000 1.071 195 L CA 1.390 56.275 54.840 0.075 0.000 0.745 195 L CB -0.751 41.338 42.059 0.050 0.000 0.892 195 L HN 0.114 nan 8.230 nan 0.000 0.431 196 N N -1.155 117.519 118.700 -0.043 0.000 2.309 196 N HA -0.149 4.591 4.740 -0.000 0.000 0.182 196 N C 1.505 176.874 175.510 -0.235 0.000 1.018 196 N CA 1.055 54.013 53.050 -0.154 0.000 0.876 196 N CB -0.276 38.075 38.487 -0.227 0.000 0.972 196 N HN 0.423 nan 8.380 nan 0.000 0.434 197 H N -0.405 118.657 119.070 -0.012 0.000 2.529 197 H HA 0.221 4.777 4.556 -0.000 0.000 0.277 197 H C 0.824 176.068 175.328 -0.139 0.000 1.004 197 H CA 0.423 56.439 56.048 -0.054 0.000 1.167 197 H CB 0.148 29.808 29.762 -0.170 0.000 1.445 197 H HN 0.219 nan 8.280 nan 0.000 0.554 198 G N 1.727 110.520 108.800 -0.012 0.000 2.246 198 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.273 198 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.273 198 G C 0.069 174.918 174.900 -0.086 0.000 1.055 198 G CA 0.074 45.170 45.100 -0.008 0.000 0.851 198 G HN 0.376 nan 8.290 nan 0.000 0.500 199 I N 1.374 121.833 120.570 -0.186 0.000 2.328 199 I HA 0.339 4.508 4.170 -0.000 0.000 0.287 199 I C 0.080 176.177 176.117 -0.033 0.000 1.012 199 I CA -0.458 60.666 61.300 -0.294 0.000 1.195 199 I CB 1.613 39.112 38.000 -0.834 0.000 1.350 199 I HN 0.027 nan 8.210 nan 0.000 0.464 200 T N 7.009 121.606 114.554 0.072 0.000 2.772 200 T HA 0.346 4.696 4.350 -0.000 0.000 0.288 200 T C -2.523 172.270 174.700 0.156 0.000 0.994 200 T CA -1.575 60.605 62.100 0.133 0.000 0.951 200 T CB 1.420 70.336 68.868 0.080 0.000 0.933 200 T HN 0.225 nan 8.240 nan 0.000 0.447 201 P HA 0.162 nan 4.420 nan 0.000 0.267 201 P C -0.297 177.073 177.300 0.117 0.000 1.205 201 P CA -0.527 62.681 63.100 0.179 0.000 0.765 201 P CB 0.338 32.148 31.700 0.184 0.000 0.828 202 I N 4.595 125.234 120.570 0.114 0.000 2.379 202 I HA 0.111 4.281 4.170 -0.000 0.000 0.290 202 I C 0.689 176.809 176.117 0.004 0.000 1.063 202 I CA -0.070 61.270 61.300 0.067 0.000 1.351 202 I CB 0.148 38.204 38.000 0.093 0.000 1.410 202 I HN 0.137 nan 8.210 nan 0.000 0.505 203 V N 7.451 127.308 119.914 -0.096 0.000 2.864 203 V HA 0.733 4.853 4.120 -0.000 0.000 0.314 203 V C -2.598 173.273 176.094 -0.371 0.000 1.073 203 V CA -2.204 59.902 62.300 -0.324 0.000 0.956 203 V CB 2.178 33.874 31.823 -0.212 0.000 1.023 203 V HN 0.513 nan 8.190 nan 0.000 0.435 204 P HA 0.119 nan 4.420 nan 0.000 0.271 204 P C 0.459 177.624 177.300 -0.225 0.000 1.216 204 P CA -0.190 62.693 63.100 -0.362 0.000 0.776 204 P CB 1.534 32.988 31.700 -0.410 0.000 0.881 205 L N 3.380 124.515 121.223 -0.146 0.000 2.093 205 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 205 L C 1.050 177.872 176.870 -0.080 0.000 1.085 205 L CA 1.720 56.501 54.840 -0.098 0.000 0.755 205 L CB -0.473 41.540 42.059 -0.076 0.000 0.904 205 L HN 0.358 nan 8.230 nan 0.000 0.435 206 R N -2.301 118.152 120.500 -0.078 0.000 2.892 206 R HA 0.597 4.937 4.340 -0.000 0.000 0.265 206 R C 0.256 176.527 176.300 -0.048 0.000 1.025 206 R CA -0.052 56.016 56.100 -0.053 0.000 0.982 206 R CB 1.419 31.695 30.300 -0.041 0.000 1.185 206 R HN 0.104 nan 8.270 nan 0.000 0.484 207 G N 0.006 108.790 108.800 -0.027 0.000 2.425 207 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.177 207 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.177 207 G C -0.172 174.728 174.900 -0.001 0.000 0.999 207 G CA -0.023 45.071 45.100 -0.011 0.000 0.723 207 G HN 0.586 nan 8.290 nan 0.000 0.491 208 T N 0.680 115.231 114.554 -0.005 0.000 2.856 208 T HA 0.605 4.955 4.350 -0.000 0.000 0.283 208 T C 1.280 175.985 174.700 0.009 0.000 1.008 208 T CA -0.250 61.852 62.100 0.004 0.000 0.997 208 T CB 1.035 69.904 68.868 0.002 0.000 0.992 208 T HN 0.829 nan 8.240 nan 0.000 0.454 209 I N 1.340 121.920 120.570 0.017 0.000 3.904 209 I HA 0.409 4.579 4.170 -0.000 0.000 0.333 209 I C 0.534 176.673 176.117 0.037 0.000 1.361 209 I CA -0.646 60.669 61.300 0.026 0.000 1.116 209 I CB -0.507 37.510 38.000 0.029 0.000 1.028 209 I HN 0.549 nan 8.210 nan 0.000 0.398 215 L N 0.744 121.961 121.223 -0.010 0.000 2.011 215 L HA -0.256 4.084 4.340 -0.000 0.000 0.225 215 L C 2.442 179.304 176.870 -0.013 0.000 1.084 215 L CA 2.234 57.059 54.840 -0.026 0.000 0.791 215 L CB -0.645 41.385 42.059 -0.049 0.000 0.898 215 L HN 0.180 nan 8.230 nan 0.000 0.440 216 S N -1.203 114.502 115.700 0.008 0.000 2.356 216 S HA -0.077 4.393 4.470 -0.000 0.000 0.223 216 S C -0.369 174.334 174.600 0.171 0.000 1.032 216 S CA 1.528 59.770 58.200 0.069 0.000 1.005 216 S CB -0.945 62.300 63.200 0.075 0.000 0.867 216 S HN 0.270 nan 8.310 nan 0.000 0.449 217 P HA -0.028 nan 4.420 nan 0.000 0.215 217 P C 1.251 178.616 177.300 0.108 0.000 1.153 217 P CA 0.974 64.114 63.100 0.065 0.000 0.853 217 P CB -0.094 31.605 31.700 -0.000 0.000 0.788 218 L N -1.422 119.838 121.223 0.061 0.000 2.275 218 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 218 L C 2.208 179.093 176.870 0.025 0.000 1.119 218 L CA 1.114 55.975 54.840 0.034 0.000 0.790 218 L CB -0.768 41.297 42.059 0.010 0.000 0.919 218 L HN -0.026 nan 8.230 nan 0.000 0.443 219 S N -1.315 114.402 115.700 0.028 0.000 2.428 219 S HA -0.111 4.358 4.470 -0.000 0.000 0.230 219 S C 1.770 176.304 174.600 -0.110 0.000 1.014 219 S CA 0.813 58.974 58.200 -0.066 0.000 0.957 219 S CB -0.193 62.921 63.200 -0.143 0.000 0.784 219 S HN 0.353 nan 8.310 nan 0.000 0.499 220 Y N 1.279 121.538 120.300 -0.070 0.000 2.373 220 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 220 Y C 1.928 177.805 175.900 -0.039 0.000 1.129 220 Y CA 0.442 58.506 58.100 -0.061 0.000 1.226 220 Y CB -0.295 38.136 38.460 -0.048 0.000 1.000 220 Y HN 0.228 nan 8.280 nan 0.000 0.549 221 I N -1.041 119.586 120.570 0.096 0.000 2.235 221 I HA -0.232 3.938 4.170 -0.000 0.000 0.241 221 I C 2.532 178.616 176.117 -0.055 0.000 1.085 221 I CA 1.016 62.328 61.300 0.021 0.000 1.378 221 I CB -0.559 37.443 38.000 0.003 0.000 1.076 221 I HN 0.122 nan 8.210 nan 0.000 0.415 222 A N 0.763 123.550 122.820 -0.055 0.000 1.978 222 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 222 A C 2.427 179.978 177.584 -0.055 0.000 1.170 222 A CA 1.889 53.883 52.037 -0.071 0.000 0.636 222 A CB -0.711 18.256 19.000 -0.054 0.000 0.810 222 A HN 0.453 nan 8.150 nan 0.000 0.448 223 A N -0.716 122.074 122.820 -0.051 0.000 2.067 223 A HA 0.355 4.675 4.320 -0.000 0.000 0.217 223 A C 2.317 179.935 177.584 0.057 0.000 1.156 223 A CA 1.520 53.553 52.037 -0.006 0.000 0.683 223 A CB -0.585 18.329 19.000 -0.143 0.000 0.808 223 A HN 0.879 nan 8.150 nan 0.000 0.455 224 A N 0.723 123.565 122.820 0.038 0.000 1.898 224 A HA 0.050 4.369 4.320 -0.000 0.000 0.214 224 A C 1.999 179.640 177.584 0.094 0.000 1.183 224 A CA 1.162 53.274 52.037 0.126 0.000 0.622 224 A CB -0.636 18.482 19.000 0.196 0.000 0.824 224 A HN 0.906 nan 8.150 nan 0.000 0.444 225 I N -3.386 117.075 120.570 -0.182 0.000 3.291 225 I HA 0.046 4.216 4.170 -0.000 0.000 0.279 225 I C 1.340 177.427 176.117 -0.049 0.000 1.294 225 I CA 1.385 62.510 61.300 -0.292 0.000 1.428 225 I CB 0.076 37.753 38.000 -0.538 0.000 1.070 225 I HN 0.044 nan 8.210 nan 0.000 0.478 226 S N 1.008 116.709 115.700 0.001 0.000 2.535 226 S HA 0.314 4.784 4.470 -0.000 0.000 0.214 226 S C 1.373 176.011 174.600 0.065 0.000 0.980 226 S CA 0.536 58.753 58.200 0.027 0.000 0.907 226 S CB 0.323 63.537 63.200 0.023 0.000 0.790 226 S HN 0.826 nan 8.310 nan 0.000 0.510 227 G N 2.674 111.540 108.800 0.111 0.000 2.256 227 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.272 227 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.272 227 G C -0.110 174.865 174.900 0.126 0.000 1.076 227 G CA -0.135 45.042 45.100 0.129 0.000 0.882 227 G HN 0.593 nan 8.290 nan 0.000 0.497 228 H N 0.658 119.763 119.070 0.058 0.000 2.972 228 H HA 0.112 4.668 4.556 -0.000 0.000 0.343 228 H C -0.768 174.615 175.328 0.091 0.000 1.054 228 H CA -0.308 55.766 56.048 0.044 0.000 1.412 228 H CB 1.022 30.789 29.762 0.008 0.000 1.385 228 H HN 0.120 nan 8.280 nan 0.000 0.600 229 P HA -0.129 nan 4.420 nan 0.000 0.217 229 P C 0.587 178.124 177.300 0.395 0.000 1.148 229 P CA 1.560 64.750 63.100 0.151 0.000 0.828 229 P CB 0.297 31.994 31.700 -0.005 0.000 0.783 230 D N -1.551 119.177 120.400 0.546 0.000 2.501 230 D HA 0.060 4.700 4.640 -0.000 0.000 0.226 230 D C -0.371 176.040 176.300 0.185 0.000 1.198 230 D CA -0.121 54.108 54.000 0.381 0.000 0.830 230 D CB -0.354 40.601 40.800 0.258 0.000 1.014 230 D HN -0.144 nan 8.370 nan 0.000 0.496 231 S N 0.272 116.106 115.700 0.223 0.000 2.452 231 S HA 0.379 4.849 4.470 -0.000 0.000 0.284 231 S C -0.129 174.516 174.600 0.075 0.000 1.171 231 S CA -0.586 57.681 58.200 0.112 0.000 1.064 231 S CB 0.416 63.701 63.200 0.142 0.000 0.967 231 S HN 0.046 nan 8.310 nan 0.000 0.484 232 K N 2.636 123.042 120.400 0.010 0.000 2.166 232 K HA 0.748 5.068 4.320 -0.000 0.000 0.245 232 K C -0.563 176.073 176.600 0.061 0.000 0.967 232 K CA -0.984 55.272 56.287 -0.052 0.000 0.863 232 K CB 1.786 34.225 32.500 -0.101 0.000 1.107 232 K HN 0.543 nan 8.250 nan 0.000 0.436 233 V N -2.390 117.556 119.914 0.055 0.000 3.188 233 V HA 0.426 4.546 4.120 -0.000 0.000 0.305 233 V C -1.027 175.117 176.094 0.083 0.000 1.232 233 V CA -0.988 61.365 62.300 0.088 0.000 1.043 233 V CB 1.934 33.791 31.823 0.057 0.000 1.068 233 V HN 0.893 nan 8.190 nan 0.000 0.439 234 H N 1.146 120.217 119.070 0.002 0.000 2.472 234 H HA 0.896 5.452 4.556 -0.000 0.000 0.338 234 H C -1.510 173.792 175.328 -0.043 0.000 1.133 234 H CA -0.281 55.765 56.048 -0.003 0.000 1.216 234 H CB 1.966 31.745 29.762 0.029 0.000 1.497 234 H HN 0.864 nan 8.280 nan 0.000 0.500 235 V N 4.811 124.440 119.914 -0.476 0.000 3.167 235 V HA 0.234 4.354 4.120 -0.000 0.000 0.293 235 V C -1.468 174.470 176.094 -0.260 0.000 1.379 235 V CA -0.704 61.450 62.300 -0.243 0.000 1.019 235 V CB 2.414 34.123 31.823 -0.190 0.000 1.115 235 V HN 0.567 nan 8.190 nan 0.000 0.442 236 V N 5.196 125.091 119.914 -0.033 0.000 2.333 236 V HA 0.444 4.564 4.120 -0.000 0.000 0.274 236 V C -0.105 176.094 176.094 0.176 0.000 1.028 236 V CA -0.326 61.997 62.300 0.037 0.000 0.851 236 V CB 0.926 32.797 31.823 0.080 0.000 1.000 236 V HN 0.878 nan 8.190 nan 0.000 0.456 237 H N 5.873 124.954 119.070 0.019 0.000 2.673 237 H HA 0.257 4.813 4.556 -0.000 0.000 0.293 237 H C -0.484 174.837 175.328 -0.012 0.000 1.065 237 H CA -0.703 55.364 56.048 0.031 0.000 1.236 237 H CB 0.664 30.437 29.762 0.018 0.000 1.389 237 H HN 0.762 nan 8.280 nan 0.000 0.481 238 E N 3.914 124.025 120.200 -0.148 0.000 2.513 238 E HA -0.228 4.122 4.350 -0.000 0.000 0.156 238 E C 1.096 177.625 176.600 -0.118 0.000 1.740 238 E CA 1.207 57.485 56.400 -0.203 0.000 0.646 238 E CB -1.774 27.682 29.700 -0.406 0.000 1.080 238 E HN 1.178 nan 8.360 nan 0.000 0.345 239 G N 1.827 110.599 108.800 -0.047 0.000 5.353 239 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.283 239 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.283 239 G C 0.224 175.117 174.900 -0.012 0.000 1.457 239 G CA 0.449 45.533 45.100 -0.027 0.000 0.951 239 G HN 0.396 nan 8.290 nan 0.000 0.731 240 K N 2.925 123.309 120.400 -0.026 0.000 2.270 240 K HA 0.431 4.751 4.320 -0.000 0.000 0.276 240 K C 0.527 177.114 176.600 -0.022 0.000 1.023 240 K CA 0.269 56.544 56.287 -0.019 0.000 0.955 240 K CB 0.832 33.313 32.500 -0.031 0.000 0.975 240 K HN 0.769 nan 8.250 nan 0.000 0.471 241 E N 3.233 123.415 120.200 -0.030 0.000 2.313 241 E HA 0.244 4.594 4.350 -0.000 0.000 0.272 241 E C -0.743 175.765 176.600 -0.154 0.000 1.038 241 E CA -0.780 55.557 56.400 -0.106 0.000 0.863 241 E CB 1.063 30.734 29.700 -0.048 0.000 1.060 241 E HN 0.485 nan 8.360 nan 0.000 0.402 242 K N 1.452 121.698 120.400 -0.256 0.000 2.522 242 K HA 0.580 4.900 4.320 -0.000 0.000 0.275 242 K C -1.076 175.364 176.600 -0.267 0.000 1.006 242 K CA -0.966 55.180 56.287 -0.234 0.000 0.890 242 K CB 1.371 33.779 32.500 -0.155 0.000 1.475 242 K HN 0.470 nan 8.250 nan 0.000 0.441 243 I N 1.920 122.343 120.570 -0.246 0.000 2.418 243 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 243 I C -1.313 174.730 176.117 -0.123 0.000 1.008 243 I CA -1.030 60.189 61.300 -0.135 0.000 1.104 243 I CB 1.438 39.425 38.000 -0.022 0.000 1.264 243 I HN 0.364 nan 8.210 nan 0.000 0.438 244 L N 5.970 127.157 121.223 -0.059 0.000 2.283 244 L HA 0.499 4.839 4.340 -0.000 0.000 0.259 244 L C -0.585 176.300 176.870 0.026 0.000 1.027 244 L CA -0.935 53.908 54.840 0.005 0.000 0.828 244 L CB 0.794 42.859 42.059 0.012 0.000 1.380 244 L HN 0.241 nan 8.230 nan 0.000 0.425 245 Y N 0.205 120.531 120.300 0.044 0.000 2.411 245 Y HA 0.359 4.909 4.550 -0.000 0.000 0.333 245 Y C 0.818 176.752 175.900 0.057 0.000 1.186 245 Y CA -0.066 58.075 58.100 0.068 0.000 1.381 245 Y CB 0.676 39.175 38.460 0.064 0.000 1.273 245 Y HN 0.610 nan 8.280 nan 0.000 0.546 246 A N 4.184 127.139 122.820 0.225 0.000 2.981 246 A HA 0.375 4.695 4.320 -0.000 0.000 0.280 246 A C 1.111 178.810 177.584 0.192 0.000 1.797 246 A CA 0.175 52.328 52.037 0.193 0.000 1.456 246 A CB -0.709 18.439 19.000 0.247 0.000 1.057 246 A HN 0.917 nan 8.150 nan 0.000 0.602 247 R N -0.243 120.344 120.500 0.146 0.000 2.585 247 R HA 0.022 4.362 4.340 -0.000 0.000 0.037 247 R C 1.361 177.704 176.300 0.072 0.000 0.813 247 R CA 0.855 57.019 56.100 0.106 0.000 3.081 247 R CB -0.508 29.849 30.300 0.095 0.000 1.138 247 R HN 0.545 nan 8.270 nan 0.000 0.530 248 E N 0.502 120.757 120.200 0.092 0.000 2.150 248 E HA 0.123 4.473 4.350 -0.000 0.000 0.193 248 E C 0.406 177.025 176.600 0.032 0.000 0.985 248 E CA 0.901 57.337 56.400 0.061 0.000 0.814 248 E CB 0.098 29.861 29.700 0.104 0.000 0.752 248 E HN 0.365 nan 8.360 nan 0.000 0.466 252 L N -0.237 120.995 121.223 0.015 0.000 2.349 252 L HA 0.162 4.502 4.340 -0.000 0.000 0.220 252 L C 0.698 177.386 176.870 -0.303 0.000 1.130 252 L CA 2.043 56.803 54.840 -0.134 0.000 0.791 252 L CB -0.533 41.415 42.059 -0.185 0.000 0.918 252 L HN 0.429 nan 8.230 nan 0.000 0.444 253 F N -1.158 118.674 119.950 -0.196 0.000 2.791 253 F HA 0.330 4.857 4.527 -0.000 0.000 0.316 253 F C 0.869 176.541 175.800 -0.213 0.000 1.134 253 F CA -0.967 56.877 58.000 -0.260 0.000 1.222 253 F CB -0.510 38.242 39.000 -0.413 0.000 1.034 253 F HN -0.055 nan 8.300 nan 0.000 0.516 254 N N 1.881 120.584 118.700 0.005 0.000 2.725 254 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 254 N C -0.776 174.752 175.510 0.030 0.000 1.031 254 N CA 0.640 53.693 53.050 0.006 0.000 0.720 254 N CB -1.083 37.399 38.487 -0.010 0.000 0.930 254 N HN 0.338 nan 8.380 nan 0.000 0.543 255 L N 0.233 121.485 121.223 0.048 0.000 2.329 255 L HA 0.399 4.739 4.340 -0.000 0.000 0.279 255 L C 0.497 177.416 176.870 0.081 0.000 1.014 255 L CA -0.718 54.167 54.840 0.075 0.000 0.814 255 L CB 1.755 43.869 42.059 0.091 0.000 1.257 255 L HN -0.121 nan 8.230 nan 0.000 0.424 256 E N 4.198 124.448 120.200 0.084 0.000 2.156 256 E HA 0.346 4.696 4.350 -0.000 0.000 0.279 256 E C -2.169 174.481 176.600 0.084 0.000 0.965 256 E CA -1.672 54.770 56.400 0.070 0.000 0.789 256 E CB 0.976 30.706 29.700 0.051 0.000 1.098 256 E HN 0.236 nan 8.360 nan 0.000 0.397 257 P HA -0.000 nan 4.420 nan 0.000 0.267 257 P C -0.348 176.980 177.300 0.046 0.000 1.200 257 P CA -0.163 62.983 63.100 0.077 0.000 0.772 257 P CB 0.631 32.371 31.700 0.067 0.000 0.855 258 V N 2.746 122.678 119.914 0.029 0.000 2.953 258 V HA 0.147 4.267 4.120 -0.000 0.000 0.304 258 V C 0.507 176.606 176.094 0.008 0.000 1.073 258 V CA -0.353 61.953 62.300 0.011 0.000 1.064 258 V CB 1.681 33.497 31.823 -0.012 0.000 1.047 258 V HN 0.300 nan 8.190 nan 0.000 0.478 259 V N 4.767 124.684 119.914 0.006 0.000 2.349 259 V HA 0.345 4.465 4.120 -0.000 0.000 0.284 259 V C -0.173 175.922 176.094 0.002 0.000 1.014 259 V CA -0.479 61.823 62.300 0.003 0.000 0.826 259 V CB 1.331 33.157 31.823 0.004 0.000 1.009 259 V HN 0.592 nan 8.190 nan 0.000 0.431 260 L N 4.991 126.214 121.223 -0.000 0.000 2.500 260 L HA 0.392 4.732 4.340 -0.000 0.000 0.272 260 L C 1.280 178.152 176.870 0.004 0.000 1.149 260 L CA 0.434 55.274 54.840 0.000 0.000 0.897 260 L CB 0.190 42.248 42.059 -0.001 0.000 1.178 260 L HN 0.736 nan 8.230 nan 0.000 0.473 261 G N 4.071 112.875 108.800 0.006 0.000 2.525 261 G HA2 0.419 4.379 3.960 -0.000 0.000 0.287 261 G HA3 0.419 4.379 3.960 -0.000 0.000 0.287 261 G C -2.599 172.307 174.900 0.011 0.000 1.350 261 G CA -1.314 43.791 45.100 0.008 0.000 1.039 261 G HN 0.368 nan 8.290 nan 0.000 0.513 262 P HA 0.058 nan 4.420 nan 0.000 0.264 262 P C 0.441 177.754 177.300 0.021 0.000 1.183 262 P CA 0.213 63.321 63.100 0.013 0.000 0.763 262 P CB 0.609 32.314 31.700 0.008 0.000 0.807 263 K N 1.827 122.242 120.400 0.026 0.000 3.445 263 K HA -0.260 4.060 4.320 -0.000 0.000 0.316 263 K C 0.688 177.309 176.600 0.035 0.000 1.278 263 K CA 1.452 57.761 56.287 0.036 0.000 0.976 263 K CB -1.204 31.325 32.500 0.049 0.000 1.238 263 K HN 0.629 nan 8.250 nan 0.000 0.430 264 E N -1.395 118.820 120.200 0.025 0.000 2.435 264 E HA 0.001 4.351 4.350 -0.000 0.000 0.195 264 E C 1.793 178.400 176.600 0.012 0.000 1.029 264 E CA 0.677 57.089 56.400 0.020 0.000 0.865 264 E CB 0.109 29.817 29.700 0.014 0.000 0.833 264 E HN 0.500 nan 8.360 nan 0.000 0.510 265 G N 1.158 109.965 108.800 0.012 0.000 2.459 265 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.213 265 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.213 265 G C 1.460 176.365 174.900 0.007 0.000 1.155 265 G CA -0.043 45.059 45.100 0.005 0.000 0.811 265 G HN 0.145 nan 8.290 nan 0.000 0.534 266 L N 1.316 122.551 121.223 0.020 0.000 2.418 266 L HA 0.372 4.712 4.340 -0.000 0.000 0.218 266 L C 2.415 179.305 176.870 0.033 0.000 1.125 266 L CA 1.473 56.328 54.840 0.025 0.000 0.835 266 L CB -0.104 41.977 42.059 0.036 0.000 0.953 266 L HN 0.118 nan 8.230 nan 0.000 0.454 267 G N -0.989 107.831 108.800 0.034 0.000 2.603 267 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.214 267 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.214 267 G C 1.320 176.236 174.900 0.027 0.000 1.140 267 G CA 0.529 45.654 45.100 0.042 0.000 0.800 267 G HN 0.322 nan 8.290 nan 0.000 0.533 268 L N 1.177 122.407 121.223 0.012 0.000 2.298 268 L HA 0.227 4.567 4.340 -0.000 0.000 0.209 268 L C 2.460 179.326 176.870 -0.006 0.000 1.084 268 L CA 1.016 55.855 54.840 -0.003 0.000 0.816 268 L CB 0.398 42.448 42.059 -0.015 0.000 0.967 268 L HN 0.114 nan 8.230 nan 0.000 0.460 269 V N -3.011 116.899 119.914 -0.007 0.000 3.649 269 V HA 0.240 4.360 4.120 -0.000 0.000 0.275 269 V C 0.890 176.980 176.094 -0.007 0.000 1.281 269 V CA -0.234 62.058 62.300 -0.014 0.000 1.143 269 V CB -0.909 30.895 31.823 -0.031 0.000 0.892 269 V HN 0.302 nan 8.190 nan 0.000 0.441 270 N N 1.226 119.932 118.700 0.010 0.000 2.476 270 N HA 0.625 5.365 4.740 -0.000 0.000 0.275 270 N C 0.313 175.853 175.510 0.050 0.000 1.190 270 N CA 1.359 54.423 53.050 0.024 0.000 0.977 270 N CB 1.668 40.184 38.487 0.049 0.000 1.200 270 N HN 0.727 nan 8.380 nan 0.000 0.515 271 G N -0.682 108.171 108.800 0.089 0.000 2.541 271 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 271 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 271 G C -0.123 174.824 174.900 0.078 0.000 1.286 271 G CA -0.029 45.129 45.100 0.097 0.000 0.894 271 G HN 0.671 nan 8.290 nan 0.000 0.575 272 T N -2.366 112.227 114.554 0.065 0.000 3.269 272 T HA 0.668 5.018 4.350 -0.000 0.000 0.269 272 T C 1.855 176.568 174.700 0.022 0.000 0.993 272 T CA 1.029 63.157 62.100 0.047 0.000 0.909 272 T CB 0.673 69.572 68.868 0.050 0.000 1.115 272 T HN 2.050 nan 8.240 nan 0.000 0.543 273 A N 1.375 124.204 122.820 0.015 0.000 1.883 273 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 273 A C 2.310 179.894 177.584 -0.000 0.000 1.186 273 A CA 1.840 53.878 52.037 0.002 0.000 0.624 273 A CB -1.027 17.972 19.000 -0.002 0.000 0.822 273 A HN 0.499 nan 8.150 nan 0.000 0.444 274 V N 1.032 120.947 119.914 0.003 0.000 2.295 274 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 274 V C 2.942 179.035 176.094 -0.002 0.000 1.049 274 V CA 2.475 64.775 62.300 -0.001 0.000 1.024 274 V CB -1.243 30.579 31.823 -0.002 0.000 0.648 274 V HN 0.784 nan 8.190 nan 0.000 0.447 275 S N 1.123 116.826 115.700 0.004 0.000 2.406 275 S HA -0.039 4.430 4.470 -0.000 0.000 0.228 275 S C 2.107 176.707 174.600 0.001 0.000 1.020 275 S CA 1.080 59.282 58.200 0.004 0.000 0.965 275 S CB -0.503 62.704 63.200 0.011 0.000 0.798 275 S HN 0.578 nan 8.310 nan 0.000 0.488 276 A N 1.811 124.630 122.820 -0.001 0.000 1.933 276 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 276 A C 1.715 179.292 177.584 -0.012 0.000 1.175 276 A CA 1.268 53.300 52.037 -0.008 0.000 0.628 276 A CB -1.108 17.884 19.000 -0.012 0.000 0.814 276 A HN 0.572 nan 8.150 nan 0.000 0.444 280 T N 1.055 115.613 114.554 0.007 0.000 2.746 280 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 280 T C 1.734 176.468 174.700 0.057 0.000 1.039 280 T CA 1.896 64.007 62.100 0.018 0.000 1.142 280 T CB -0.293 68.568 68.868 -0.011 0.000 0.866 280 T HN 0.174 nan 8.240 nan 0.000 0.444 281 L N 0.953 122.196 121.223 0.033 0.000 2.131 281 L HA 0.099 4.438 4.340 -0.000 0.000 0.210 281 L C 2.624 179.554 176.870 0.101 0.000 1.092 281 L CA 1.250 56.120 54.840 0.049 0.000 0.759 281 L CB -1.150 40.917 42.059 0.012 0.000 0.903 281 L HN 0.239 nan 8.230 nan 0.000 0.435 282 A N -1.423 121.435 122.820 0.065 0.000 1.930 282 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 282 A C 2.161 179.775 177.584 0.049 0.000 1.176 282 A CA 1.025 53.092 52.037 0.050 0.000 0.632 282 A CB -0.619 18.393 19.000 0.021 0.000 0.819 282 A HN 0.300 nan 8.150 nan 0.000 0.445 283 L N -0.319 120.938 121.223 0.057 0.000 2.046 283 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 283 L C 2.270 179.202 176.870 0.104 0.000 1.077 283 L CA 2.802 57.656 54.840 0.023 0.000 0.747 283 L CB -1.121 40.973 42.059 0.059 0.000 0.896 283 L HN 0.654 nan 8.230 nan 0.000 0.432 284 H N -0.514 118.635 119.070 0.132 0.000 2.289 284 H HA -0.199 4.357 4.556 -0.000 0.000 0.296 284 H C 1.780 177.184 175.328 0.127 0.000 1.091 284 H CA 2.462 58.620 56.048 0.184 0.000 1.274 284 H CB -0.201 29.625 29.762 0.107 0.000 1.364 284 H HN 0.393 nan 8.280 nan 0.000 0.490 285 D N -0.085 120.363 120.400 0.080 0.000 2.178 285 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 285 D C 2.199 178.477 176.300 -0.036 0.000 0.980 285 D CA 1.312 55.309 54.000 -0.005 0.000 0.842 285 D CB -0.598 40.238 40.800 0.060 0.000 0.948 285 D HN 0.585 nan 8.370 nan 0.000 0.472 286 A N 0.660 123.458 122.820 -0.038 0.000 1.930 286 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 286 A C 1.236 178.773 177.584 -0.080 0.000 1.175 286 A CA 0.905 52.898 52.037 -0.073 0.000 0.627 286 A CB -0.485 18.441 19.000 -0.123 0.000 0.815 286 A HN 0.240 nan 8.150 nan 0.000 0.443 290 S N -0.073 115.643 115.700 0.026 0.000 2.368 290 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 290 S C 1.950 176.570 174.600 0.034 0.000 1.029 290 S CA 1.599 59.823 58.200 0.040 0.000 0.988 290 S CB -0.052 63.176 63.200 0.046 0.000 0.838 290 S HN 0.322 nan 8.310 nan 0.000 0.462 291 L N 0.846 122.081 121.223 0.020 0.000 2.017 291 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 291 L C 2.535 179.402 176.870 -0.006 0.000 1.073 291 L CA 1.087 55.927 54.840 0.001 0.000 0.745 291 L CB -0.657 41.391 42.059 -0.018 0.000 0.894 291 L HN 0.366 nan 8.230 nan 0.000 0.432 292 L N -0.449 120.771 121.223 -0.004 0.000 2.127 292 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 292 L C 2.677 179.548 176.870 0.002 0.000 1.089 292 L CA 2.009 56.846 54.840 -0.004 0.000 0.757 292 L CB -0.700 41.363 42.059 0.007 0.000 0.899 292 L HN 0.196 nan 8.230 nan 0.000 0.434 293 S N -1.414 114.303 115.700 0.027 0.000 2.402 293 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 293 S C 1.908 176.528 174.600 0.034 0.000 1.021 293 S CA 1.326 59.557 58.200 0.051 0.000 0.974 293 S CB -0.160 63.092 63.200 0.088 0.000 0.800 293 S HN 0.713 nan 8.310 nan 0.000 0.484 294 Q N 0.256 120.067 119.800 0.018 0.000 2.187 294 Q HA 0.029 4.369 4.340 -0.000 0.000 0.199 294 Q C 2.402 178.377 176.000 -0.043 0.000 0.957 294 Q CA 1.473 57.274 55.803 -0.003 0.000 0.857 294 Q CB -0.115 28.617 28.738 -0.009 0.000 0.929 294 Q HN 0.536 nan 8.270 nan 0.000 0.453 295 S N 1.130 116.805 115.700 -0.043 0.000 2.368 295 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 295 S C 1.933 176.488 174.600 -0.075 0.000 1.029 295 S CA 0.817 58.984 58.200 -0.055 0.000 0.988 295 S CB -0.149 63.028 63.200 -0.039 0.000 0.838 295 S HN 0.263 nan 8.310 nan 0.000 0.462 296 L N 1.183 122.346 121.223 -0.100 0.000 2.141 296 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 296 L C 2.604 179.382 176.870 -0.152 0.000 1.094 296 L CA 1.049 55.761 54.840 -0.213 0.000 0.763 296 L CB -0.936 40.911 42.059 -0.353 0.000 0.908 296 L HN 0.313 nan 8.230 nan 0.000 0.437 297 T N -0.129 114.393 114.554 -0.054 0.000 2.777 297 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 297 T C 1.158 175.842 174.700 -0.027 0.000 1.040 297 T CA 0.795 62.901 62.100 0.010 0.000 1.141 297 T CB -0.204 68.690 68.868 0.044 0.000 0.868 297 T HN 0.405 nan 8.240 nan 0.000 0.444 301 V N 2.195 122.125 119.914 0.027 0.000 2.343 301 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 301 V C 2.401 178.507 176.094 0.021 0.000 1.051 301 V CA 2.236 64.574 62.300 0.062 0.000 1.036 301 V CB -0.414 31.473 31.823 0.106 0.000 0.654 301 V HN 0.516 nan 8.190 nan 0.000 0.451 302 E N 0.214 120.405 120.200 -0.015 0.000 2.015 302 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 302 E C 1.434 177.867 176.600 -0.279 0.000 0.991 302 E CA 0.877 57.246 56.400 -0.051 0.000 0.802 302 E CB -0.270 29.415 29.700 -0.025 0.000 0.759 302 E HN 0.627 nan 8.360 nan 0.000 0.447 306 G N -0.752 108.069 108.800 0.036 0.000 2.543 306 G HA2 0.543 4.503 3.960 -0.000 0.000 0.290 306 G HA3 0.543 4.503 3.960 -0.000 0.000 0.290 306 G C -0.722 174.177 174.900 -0.001 0.000 1.310 306 G CA -0.423 44.728 45.100 0.085 0.000 1.025 306 G HN 0.528 nan 8.290 nan 0.000 0.502 307 H N -0.672 118.422 119.070 0.039 0.000 2.604 307 H HA 0.476 5.032 4.556 -0.000 0.000 0.306 307 H C 1.125 176.493 175.328 0.067 0.000 1.075 307 H CA 0.147 56.202 56.048 0.012 0.000 1.357 307 H CB 1.728 31.489 29.762 -0.002 0.000 1.426 307 H HN 0.484 nan 8.280 nan 0.000 0.470 308 A N 3.185 126.052 122.820 0.078 0.000 2.119 308 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 308 A C 2.516 180.269 177.584 0.282 0.000 1.153 308 A CA 1.094 53.243 52.037 0.187 0.000 0.692 308 A CB -0.797 18.098 19.000 -0.175 0.000 0.799 308 A HN 0.861 nan 8.150 nan 0.000 0.458 309 G N -0.264 108.645 108.800 0.182 0.000 2.485 309 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.221 309 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.221 309 G C 1.631 176.576 174.900 0.076 0.000 1.115 309 G CA 1.244 46.445 45.100 0.169 0.000 0.751 309 G HN 0.488 nan 8.290 nan 0.000 0.567 310 S N 0.235 115.857 115.700 -0.129 0.000 2.469 310 S HA -0.014 4.455 4.470 -0.000 0.000 0.238 310 S C 1.139 175.434 174.600 -0.509 0.000 0.998 310 S CA 0.678 58.614 58.200 -0.439 0.000 0.957 310 S CB -0.258 62.480 63.200 -0.771 0.000 0.764 310 S HN 0.453 nan 8.310 nan 0.000 0.514 311 F N 0.129 120.221 119.950 0.235 0.000 2.647 311 F HA 0.293 4.820 4.527 -0.000 0.000 0.300 311 F C 0.882 176.848 175.800 0.277 0.000 1.106 311 F CA -0.742 57.394 58.000 0.227 0.000 1.313 311 F CB -0.188 38.857 39.000 0.075 0.000 1.007 311 F HN 0.169 nan 8.300 nan 0.000 0.536 312 H N 3.278 122.526 119.070 0.297 0.000 2.886 312 H HA 0.063 4.619 4.556 -0.000 0.000 0.329 312 H C -1.749 173.769 175.328 0.316 0.000 1.044 312 H CA -1.454 54.751 56.048 0.263 0.000 1.456 312 H CB 1.564 31.442 29.762 0.193 0.000 1.464 312 H HN -0.017 nan 8.280 nan 0.000 0.573 313 P HA -0.198 nan 4.420 nan 0.000 0.217 313 P C 1.422 178.920 177.300 0.329 0.000 1.148 313 P CA 1.187 64.419 63.100 0.219 0.000 0.834 313 P CB -0.198 31.535 31.700 0.054 0.000 0.783 314 F N -0.134 120.089 119.950 0.455 0.000 2.202 314 F HA -0.136 4.391 4.527 -0.000 0.000 0.301 314 F C 1.650 177.477 175.800 0.045 0.000 1.082 314 F CA 1.294 59.423 58.000 0.215 0.000 1.313 314 F CB -0.453 38.618 39.000 0.118 0.000 1.024 314 F HN -0.213 nan 8.300 nan 0.000 0.495 315 L N -0.809 120.427 121.223 0.021 0.000 2.599 315 L HA -0.033 4.306 4.340 -0.000 0.000 0.230 315 L C 1.380 177.799 176.870 -0.751 0.000 1.141 315 L CA 0.156 54.770 54.840 -0.376 0.000 0.877 315 L CB -0.451 41.364 42.059 -0.407 0.000 1.009 315 L HN 0.293 nan 8.230 nan 0.000 0.447 316 H N -2.107 116.957 119.070 -0.011 0.000 2.356 316 H HA 0.097 4.653 4.556 -0.000 0.000 0.149 316 H C 1.106 176.415 175.328 -0.031 0.000 1.057 316 H CA 0.099 56.146 56.048 -0.002 0.000 1.093 316 H CB -0.146 29.649 29.762 0.054 0.000 0.960 316 H HN 0.024 nan 8.280 nan 0.000 0.316 317 D N 1.333 121.814 120.400 0.135 0.000 2.133 317 D HA -0.108 4.531 4.640 -0.000 0.000 0.195 317 D C 2.150 178.432 176.300 -0.028 0.000 0.997 317 D CA 1.148 55.180 54.000 0.054 0.000 0.840 317 D CB -0.024 40.817 40.800 0.070 0.000 0.947 317 D HN 0.053 nan 8.370 nan 0.000 0.452 318 V N -0.551 119.303 119.914 -0.100 0.000 2.379 318 V HA -0.094 4.026 4.120 -0.000 0.000 0.243 318 V C 2.272 178.179 176.094 -0.313 0.000 1.035 318 V CA 1.760 63.933 62.300 -0.212 0.000 1.035 318 V CB -0.183 31.448 31.823 -0.320 0.000 0.673 318 V HN 0.243 nan 8.190 nan 0.000 0.457 319 T N -1.146 113.154 114.554 -0.425 0.000 3.044 319 T HA 0.137 4.487 4.350 -0.000 0.000 0.250 319 T C 0.976 175.553 174.700 -0.205 0.000 1.081 319 T CA 0.122 62.006 62.100 -0.360 0.000 1.040 319 T CB -0.010 68.565 68.868 -0.487 0.000 0.962 319 T HN 0.263 nan 8.240 nan 0.000 0.506 320 R N 1.408 121.816 120.500 -0.152 0.000 2.837 320 R HA 0.209 4.549 4.340 -0.000 0.000 0.245 320 R C -2.711 173.546 176.300 -0.071 0.000 1.712 320 R CA -1.090 54.953 56.100 -0.095 0.000 1.539 320 R CB 1.256 31.546 30.300 -0.016 0.000 1.490 320 R HN 0.115 nan 8.270 nan 0.000 0.667 321 P HA -0.116 nan 4.420 nan 0.000 0.311 321 P C -0.579 176.663 177.300 -0.097 0.000 1.543 321 P CA 0.359 63.406 63.100 -0.089 0.000 0.766 321 P CB -0.339 31.303 31.700 -0.097 0.000 1.711 322 H N 0.852 119.936 119.070 0.024 0.000 2.955 322 H HA 0.081 4.637 4.556 -0.000 0.000 0.290 322 H C -1.247 174.098 175.328 0.028 0.000 1.047 322 H CA -1.431 54.631 56.048 0.023 0.000 1.484 322 H CB 0.485 30.262 29.762 0.026 0.000 1.501 322 H HN 0.079 nan 8.280 nan 0.000 0.521 323 P HA -0.232 nan 4.420 nan 0.000 0.216 323 P C 1.651 178.997 177.300 0.077 0.000 1.167 323 P CA 2.731 65.880 63.100 0.081 0.000 0.914 323 P CB 0.126 31.866 31.700 0.066 0.000 0.793 324 T N -3.268 111.333 114.554 0.079 0.000 2.951 324 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 324 T C 1.954 176.685 174.700 0.053 0.000 1.073 324 T CA 1.100 63.231 62.100 0.053 0.000 1.134 324 T CB -0.960 67.931 68.868 0.039 0.000 0.884 324 T HN 0.202 nan 8.240 nan 0.000 0.479 325 Q N 0.523 120.375 119.800 0.087 0.000 2.224 325 Q HA 0.007 4.347 4.340 -0.000 0.000 0.203 325 Q C 2.177 178.201 176.000 0.041 0.000 0.970 325 Q CA 1.034 56.890 55.803 0.088 0.000 0.865 325 Q CB -0.331 28.514 28.738 0.177 0.000 0.922 325 Q HN 0.656 nan 8.270 nan 0.000 0.445 326 I N 0.462 121.073 120.570 0.068 0.000 2.286 326 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 326 I C 2.461 178.583 176.117 0.007 0.000 1.104 326 I CA 1.185 62.513 61.300 0.046 0.000 1.397 326 I CB -0.273 37.767 38.000 0.067 0.000 1.072 326 I HN 0.364 nan 8.210 nan 0.000 0.417 327 E N 1.064 121.274 120.200 0.017 0.000 2.038 327 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 327 E C 2.309 178.904 176.600 -0.008 0.000 1.000 327 E CA 1.943 58.346 56.400 0.006 0.000 0.803 327 E CB 0.066 29.773 29.700 0.013 0.000 0.750 327 E HN 0.215 nan 8.360 nan 0.000 0.448 328 V N 1.463 121.374 119.914 -0.004 0.000 2.255 328 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 328 V C 2.554 178.635 176.094 -0.023 0.000 1.051 328 V CA 2.096 64.394 62.300 -0.002 0.000 1.018 328 V CB -0.987 30.854 31.823 0.030 0.000 0.641 328 V HN 0.513 nan 8.190 nan 0.000 0.445 329 A N 0.277 123.049 122.820 -0.081 0.000 1.978 329 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 329 A C 2.353 179.930 177.584 -0.011 0.000 1.170 329 A CA 1.963 53.955 52.037 -0.074 0.000 0.636 329 A CB -1.099 17.555 19.000 -0.578 0.000 0.810 329 A HN 0.580 nan 8.150 nan 0.000 0.448 330 G N -0.462 108.322 108.800 -0.027 0.000 2.421 330 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 330 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 330 G C 1.424 176.305 174.900 -0.032 0.000 1.143 330 G CA 0.924 46.018 45.100 -0.010 0.000 0.784 330 G HN 0.714 nan 8.290 nan 0.000 0.541 331 N N 0.181 118.852 118.700 -0.048 0.000 2.135 331 N HA -0.005 4.735 4.740 -0.000 0.000 0.186 331 N C 2.176 177.615 175.510 -0.117 0.000 1.027 331 N CA 0.708 53.719 53.050 -0.064 0.000 0.849 331 N CB -0.103 38.352 38.487 -0.053 0.000 1.002 331 N HN 0.236 nan 8.380 nan 0.000 0.425 332 I N 1.188 121.639 120.570 -0.200 0.000 2.286 332 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 332 I C 2.694 178.575 176.117 -0.394 0.000 1.115 332 I CA 0.898 61.952 61.300 -0.410 0.000 1.392 332 I CB -0.230 37.254 38.000 -0.859 0.000 1.065 332 I HN 0.159 nan 8.210 nan 0.000 0.418 333 R N 1.514 121.872 120.500 -0.237 0.000 2.073 333 R HA -0.226 4.114 4.340 -0.000 0.000 0.234 333 R C 2.377 178.657 176.300 -0.033 0.000 1.134 333 R CA 1.753 57.814 56.100 -0.065 0.000 0.952 333 R CB -0.197 30.134 30.300 0.052 0.000 0.850 333 R HN 0.215 nan 8.270 nan 0.000 0.433 334 K N 0.561 120.938 120.400 -0.037 0.000 2.147 334 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 334 K C 2.015 178.603 176.600 -0.019 0.000 1.049 334 K CA 1.153 57.430 56.287 -0.016 0.000 0.936 334 K CB -0.010 32.478 32.500 -0.021 0.000 0.722 334 K HN 0.260 nan 8.250 nan 0.000 0.446 335 L N 0.379 121.570 121.223 -0.053 0.000 2.240 335 L HA -0.100 4.239 4.340 -0.000 0.000 0.211 335 L C 1.698 178.562 176.870 -0.009 0.000 1.106 335 L CA 0.186 55.001 54.840 -0.041 0.000 0.793 335 L CB -0.082 41.931 42.059 -0.076 0.000 0.927 335 L HN 0.129 nan 8.230 nan 0.000 0.446 336 L N -0.488 120.729 121.223 -0.011 0.000 2.558 336 L HA 0.068 4.407 4.340 -0.000 0.000 0.225 336 L C 0.862 177.846 176.870 0.190 0.000 1.128 336 L CA 0.524 55.404 54.840 0.068 0.000 0.868 336 L CB -0.585 41.483 42.059 0.014 0.000 1.006 336 L HN 0.026 nan 8.230 nan 0.000 0.454 337 E N 0.068 120.346 120.200 0.129 0.000 2.417 337 E HA 0.339 4.689 4.350 -0.000 0.000 0.261 337 E C 1.344 177.988 176.600 0.073 0.000 1.000 337 E CA 0.905 57.375 56.400 0.117 0.000 0.919 337 E CB 0.020 29.756 29.700 0.059 0.000 0.955 337 E HN 0.303 nan 8.360 nan 0.000 0.455 338 G N 3.025 111.832 108.800 0.011 0.000 2.184 338 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 338 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 338 G C 0.431 175.346 174.900 0.025 0.000 0.975 338 G CA 0.491 45.579 45.100 -0.020 0.000 0.642 338 G HN 0.701 nan 8.290 nan 0.000 0.536 339 S N -0.589 115.187 115.700 0.126 0.000 2.549 339 S HA 0.559 5.029 4.470 -0.000 0.000 0.279 339 S C 1.410 176.123 174.600 0.188 0.000 1.321 339 S CA 0.072 58.385 58.200 0.190 0.000 1.054 339 S CB 0.780 64.145 63.200 0.275 0.000 0.899 339 S HN 0.336 nan 8.310 nan 0.000 0.497 340 R N 3.028 123.594 120.500 0.110 0.000 2.334 340 R HA 0.332 4.672 4.340 -0.000 0.000 0.216 340 R C 0.639 177.032 176.300 0.155 0.000 0.905 340 R CA 0.385 56.547 56.100 0.103 0.000 1.064 340 R CB -0.200 30.161 30.300 0.103 0.000 1.046 340 R HN 0.608 nan 8.270 nan 0.000 0.508 341 F N 0.323 120.424 119.950 0.251 0.000 2.188 341 F HA 0.332 4.859 4.527 -0.000 0.000 0.289 341 F C 1.356 177.242 175.800 0.143 0.000 1.082 341 F CA 0.046 58.169 58.000 0.205 0.000 1.282 341 F CB -0.690 38.348 39.000 0.063 0.000 1.060 341 F HN -0.110 nan 8.300 nan 0.000 0.493 342 A N 0.650 123.656 122.820 0.310 0.000 2.407 342 A HA 0.455 4.775 4.320 -0.000 0.000 0.248 342 A C -0.309 177.286 177.584 0.018 0.000 1.082 342 A CA -0.394 51.706 52.037 0.104 0.000 0.785 342 A CB 0.031 19.043 19.000 0.020 0.000 1.020 342 A HN -0.017 nan 8.150 nan 0.000 0.489 343 V N 2.274 122.098 119.914 -0.149 0.000 2.498 343 V HA 0.188 4.308 4.120 -0.000 0.000 0.279 343 V C 0.254 176.170 176.094 -0.296 0.000 1.048 343 V CA 0.053 62.217 62.300 -0.226 0.000 0.967 343 V CB 0.637 32.210 31.823 -0.417 0.000 0.988 343 V HN 0.952 nan 8.190 nan 0.000 0.473 344 H N 3.319 122.251 119.070 -0.230 0.000 2.505 344 H HA 0.281 4.837 4.556 -0.000 0.000 0.286 344 H C 0.619 175.952 175.328 0.009 0.000 1.072 344 H CA 0.564 56.582 56.048 -0.050 0.000 1.141 344 H CB 0.056 29.863 29.762 0.075 0.000 1.550 344 H HN 1.054 nan 8.280 nan 0.000 0.547 345 H N -3.773 115.388 119.070 0.152 0.000 2.535 345 H HA 0.156 4.712 4.556 -0.000 0.000 0.115 345 H C 0.053 175.444 175.328 0.106 0.000 1.267 345 H CA 0.075 56.198 56.048 0.125 0.000 0.986 345 H CB 0.831 30.657 29.762 0.107 0.000 0.618 345 H HN 0.066 nan 8.280 nan 0.000 0.206 361 D N 0.769 121.150 120.400 -0.032 0.000 4.030 361 D HA -0.082 4.558 4.640 -0.000 0.000 0.222 361 D C -1.185 175.135 176.300 0.034 0.000 1.288 361 D CA 0.484 54.490 54.000 0.010 0.000 0.865 361 D CB 0.246 41.026 40.800 -0.033 0.000 0.486 361 D HN 0.389 nan 8.370 nan 0.000 0.213 362 R N 1.838 122.368 120.500 0.049 0.000 2.707 362 R HA 0.161 4.501 4.340 -0.000 0.000 0.270 362 R C 1.049 177.457 176.300 0.180 0.000 1.083 362 R CA -0.517 55.634 56.100 0.086 0.000 1.182 362 R CB 0.157 30.458 30.300 0.001 0.000 1.084 362 R HN 0.389 nan 8.270 nan 0.000 0.528 363 Y N 1.163 121.423 120.300 -0.068 0.000 2.102 363 Y HA -0.170 4.380 4.550 -0.000 0.000 0.280 363 Y C -0.591 175.248 175.900 -0.102 0.000 1.178 363 Y CA 1.460 59.513 58.100 -0.078 0.000 1.146 363 Y CB -1.863 36.541 38.460 -0.092 0.000 0.968 363 Y HN 0.567 nan 8.280 nan 0.000 0.504 364 P HA -0.173 nan 4.420 nan 0.000 0.217 364 P C 1.606 178.912 177.300 0.010 0.000 1.148 364 P CA 1.721 64.787 63.100 -0.057 0.000 0.828 364 P CB -0.048 31.602 31.700 -0.084 0.000 0.783 365 L N -2.125 119.132 121.223 0.056 0.000 2.349 365 L HA 0.166 4.505 4.340 -0.000 0.000 0.200 365 L C 2.633 179.553 176.870 0.083 0.000 1.064 365 L CA 0.426 55.338 54.840 0.119 0.000 0.821 365 L CB -0.384 41.753 42.059 0.130 0.000 1.027 365 L HN -0.234 nan 8.230 nan 0.000 0.476 366 R N 0.417 120.922 120.500 0.008 0.000 2.189 366 R HA -0.104 4.236 4.340 -0.000 0.000 0.218 366 R C 1.612 177.844 176.300 -0.114 0.000 1.074 366 R CA 1.690 57.731 56.100 -0.098 0.000 0.991 366 R CB 0.063 30.320 30.300 -0.072 0.000 0.883 366 R HN 0.388 nan 8.270 nan 0.000 0.457 367 T N -2.486 112.024 114.554 -0.074 0.000 3.129 367 T HA 0.090 4.440 4.350 -0.000 0.000 0.267 367 T C 1.434 176.189 174.700 0.091 0.000 1.018 367 T CA 0.180 62.248 62.100 -0.052 0.000 0.903 367 T CB 0.534 69.301 68.868 -0.168 0.000 1.067 367 T HN 0.216 nan 8.240 nan 0.000 0.549 368 S N 2.308 118.080 115.700 0.120 0.000 2.383 368 S HA -0.004 4.466 4.470 -0.000 0.000 0.229 368 S C -0.711 174.035 174.600 0.244 0.000 1.030 368 S CA 0.748 59.071 58.200 0.205 0.000 1.002 368 S CB -1.599 61.739 63.200 0.230 0.000 0.829 368 S HN 0.416 nan 8.310 nan 0.000 0.467 369 P HA -0.056 nan 4.420 nan 0.000 0.217 369 P C 1.664 179.056 177.300 0.153 0.000 1.151 369 P CA 1.094 64.288 63.100 0.157 0.000 0.828 369 P CB -0.184 31.541 31.700 0.043 0.000 0.788 370 Q N -1.609 118.299 119.800 0.179 0.000 2.297 370 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 370 Q C 1.978 178.066 176.000 0.148 0.000 0.962 370 Q CA 1.067 56.954 55.803 0.141 0.000 0.879 370 Q CB -1.107 27.703 28.738 0.121 0.000 0.947 370 Q HN 0.482 nan 8.270 nan 0.000 0.462 371 W N 1.442 122.751 121.300 0.015 0.000 2.494 371 W HA 0.077 4.737 4.660 -0.000 0.000 0.286 371 W C 1.400 177.930 176.519 0.017 0.000 1.218 371 W CA 0.482 57.837 57.345 0.016 0.000 1.313 371 W CB 0.233 29.714 29.460 0.035 0.000 1.105 371 W HN 0.083 nan 8.180 nan 0.000 0.561 372 L N -0.067 121.291 121.223 0.225 0.000 2.375 372 L HA 0.125 4.465 4.340 -0.000 0.000 0.215 372 L C 2.688 179.575 176.870 0.027 0.000 1.108 372 L CA 0.708 55.621 54.840 0.122 0.000 0.830 372 L CB -1.226 40.933 42.059 0.167 0.000 0.959 372 L HN -0.091 nan 8.230 nan 0.000 0.457 373 G N 1.771 110.584 108.800 0.022 0.000 2.586 373 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 373 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 373 G C -0.698 174.167 174.900 -0.057 0.000 1.216 373 G CA 0.986 46.081 45.100 -0.009 0.000 0.786 373 G HN 0.277 nan 8.290 nan 0.000 0.583 374 P HA -0.070 nan 4.420 nan 0.000 0.216 374 P C 1.933 179.165 177.300 -0.112 0.000 1.150 374 P CA 0.681 63.693 63.100 -0.147 0.000 0.843 374 P CB -0.068 31.504 31.700 -0.212 0.000 0.787 375 L N -0.997 120.158 121.223 -0.114 0.000 1.970 375 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 375 L C 2.517 179.365 176.870 -0.037 0.000 1.071 375 L CA 1.806 56.598 54.840 -0.080 0.000 0.751 375 L CB -1.789 40.235 42.059 -0.058 0.000 0.889 375 L HN -0.142 nan 8.230 nan 0.000 0.432 376 V N -1.203 118.704 119.914 -0.011 0.000 2.282 376 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 376 V C 2.750 178.864 176.094 0.033 0.000 1.057 376 V CA 2.013 64.326 62.300 0.021 0.000 1.032 376 V CB -0.810 31.032 31.823 0.032 0.000 0.645 376 V HN 0.545 nan 8.190 nan 0.000 0.447 377 S N -0.581 115.130 115.700 0.018 0.000 2.370 377 S HA -0.253 4.217 4.470 -0.000 0.000 0.226 377 S C 1.788 176.423 174.600 0.059 0.000 1.033 377 S CA 1.883 60.108 58.200 0.040 0.000 1.011 377 S CB -0.485 62.727 63.200 0.019 0.000 0.852 377 S HN 0.662 nan 8.310 nan 0.000 0.457 378 D N 0.977 121.381 120.400 0.007 0.000 2.144 378 D HA -0.037 4.602 4.640 -0.000 0.000 0.199 378 D C 1.933 178.258 176.300 0.042 0.000 0.984 378 D CA 0.807 54.803 54.000 -0.007 0.000 0.834 378 D CB -0.310 40.450 40.800 -0.067 0.000 0.955 378 D HN 0.396 nan 8.370 nan 0.000 0.465 379 L N 0.393 121.632 121.223 0.027 0.000 2.093 379 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 379 L C 2.501 179.463 176.870 0.153 0.000 1.085 379 L CA 0.596 55.441 54.840 0.008 0.000 0.755 379 L CB -0.182 41.829 42.059 -0.080 0.000 0.904 379 L HN 0.003 nan 8.230 nan 0.000 0.435 380 I N -1.155 119.523 120.570 0.180 0.000 2.252 380 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 380 I C 2.682 178.923 176.117 0.208 0.000 1.102 380 I CA 1.051 62.469 61.300 0.198 0.000 1.385 380 I CB -0.544 37.527 38.000 0.118 0.000 1.064 380 I HN 0.369 nan 8.210 nan 0.000 0.414 381 H N 1.587 120.706 119.070 0.082 0.000 2.353 381 H HA -0.105 4.451 4.556 -0.000 0.000 0.300 381 H C 2.167 177.536 175.328 0.068 0.000 1.090 381 H CA 1.817 57.902 56.048 0.062 0.000 1.327 381 H CB 0.199 29.980 29.762 0.031 0.000 1.383 381 H HN 0.314 nan 8.280 nan 0.000 0.508 382 A N -0.249 122.739 122.820 0.280 0.000 1.969 382 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 382 A C 2.224 179.895 177.584 0.145 0.000 1.169 382 A CA 1.665 53.814 52.037 0.186 0.000 0.635 382 A CB -0.879 18.178 19.000 0.095 0.000 0.810 382 A HN 0.617 nan 8.150 nan 0.000 0.445 383 H N -0.324 118.818 119.070 0.119 0.000 2.357 383 H HA 0.089 4.645 4.556 -0.000 0.000 0.301 383 H C 2.218 177.578 175.328 0.053 0.000 1.082 383 H CA 1.627 57.750 56.048 0.125 0.000 1.342 383 H CB -0.082 29.791 29.762 0.185 0.000 1.389 383 H HN 0.420 nan 8.280 nan 0.000 0.511 384 A N -0.234 122.660 122.820 0.124 0.000 1.933 384 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 384 A C 2.510 180.073 177.584 -0.036 0.000 1.175 384 A CA 1.645 53.694 52.037 0.020 0.000 0.628 384 A CB -0.679 18.282 19.000 -0.065 0.000 0.814 384 A HN 0.316 nan 8.150 nan 0.000 0.444 385 V N -0.117 119.779 119.914 -0.030 0.000 2.302 385 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 385 V C 2.480 178.555 176.094 -0.032 0.000 1.036 385 V CA 1.615 63.903 62.300 -0.020 0.000 1.020 385 V CB -0.805 31.042 31.823 0.039 0.000 0.657 385 V HN 0.544 nan 8.190 nan 0.000 0.453 386 L N 0.865 122.060 121.223 -0.047 0.000 2.191 386 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 386 L C 2.803 179.609 176.870 -0.106 0.000 1.103 386 L CA 1.965 56.761 54.840 -0.073 0.000 0.769 386 L CB -1.070 40.938 42.059 -0.085 0.000 0.908 386 L HN 0.623 nan 8.230 nan 0.000 0.438 387 T N -1.955 112.513 114.554 -0.144 0.000 2.708 387 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 387 T C 1.808 176.470 174.700 -0.062 0.000 1.037 387 T CA 1.082 63.111 62.100 -0.119 0.000 1.146 387 T CB -0.464 68.348 68.868 -0.093 0.000 0.865 387 T HN 0.195 nan 8.240 nan 0.000 0.435 388 I N 1.324 121.865 120.570 -0.048 0.000 2.202 388 I HA -0.116 4.054 4.170 -0.000 0.000 0.242 388 I C 2.968 179.058 176.117 -0.044 0.000 1.091 388 I CA 1.725 63.003 61.300 -0.036 0.000 1.368 388 I CB -0.342 37.642 38.000 -0.028 0.000 1.058 388 I HN 0.269 nan 8.210 nan 0.000 0.410 389 E N 1.320 121.495 120.200 -0.043 0.000 2.077 389 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 389 E C 1.938 178.511 176.600 -0.045 0.000 0.989 389 E CA 1.929 58.306 56.400 -0.039 0.000 0.800 389 E CB -0.105 29.577 29.700 -0.029 0.000 0.746 389 E HN 0.437 nan 8.360 nan 0.000 0.452 390 A N -1.009 121.780 122.820 -0.051 0.000 2.095 390 A HA 0.292 4.612 4.320 -0.000 0.000 0.212 390 A C 2.098 179.647 177.584 -0.058 0.000 1.162 390 A CA 0.919 52.925 52.037 -0.051 0.000 0.753 390 A CB -0.083 18.887 19.000 -0.050 0.000 0.840 390 A HN 0.351 nan 8.150 nan 0.000 0.468 391 G N -1.345 107.417 108.800 -0.062 0.000 2.781 391 G HA2 0.241 4.201 3.960 -0.000 0.000 0.208 391 G HA3 0.241 4.201 3.960 -0.000 0.000 0.208 391 G C 0.953 175.791 174.900 -0.103 0.000 1.099 391 G CA 0.306 45.367 45.100 -0.064 0.000 0.776 391 G HN 0.503 nan 8.290 nan 0.000 0.532 392 Q N 0.232 119.967 119.800 -0.108 0.000 2.084 392 Q HA 0.359 4.699 4.340 -0.000 0.000 0.230 392 Q C -0.513 175.389 176.000 -0.163 0.000 0.806 392 Q CA -0.105 55.597 55.803 -0.169 0.000 1.083 392 Q CB 1.640 30.344 28.738 -0.057 0.000 1.208 392 Q HN 0.165 nan 8.270 nan 0.000 0.462 393 S N 0.299 115.924 115.700 -0.125 0.000 2.536 393 S HA 0.546 5.016 4.470 -0.000 0.000 0.298 393 S C -0.429 174.133 174.600 -0.064 0.000 1.083 393 S CA -0.541 57.611 58.200 -0.080 0.000 0.995 393 S CB 1.962 65.132 63.200 -0.050 0.000 1.058 393 S HN -0.026 nan 8.310 nan 0.000 0.488 394 T N 2.092 116.635 114.554 -0.018 0.000 2.788 394 T HA 0.360 4.710 4.350 -0.000 0.000 0.296 394 T C 0.811 175.525 174.700 0.023 0.000 1.009 394 T CA -0.559 61.558 62.100 0.028 0.000 0.949 394 T CB 0.726 69.685 68.868 0.152 0.000 0.946 394 T HN 0.705 nan 8.240 nan 0.000 0.453 395 T N -0.436 114.137 114.554 0.032 0.000 3.243 395 T HA 0.257 4.607 4.350 -0.000 0.000 0.264 395 T C 0.047 174.819 174.700 0.121 0.000 1.000 395 T CA -0.645 61.487 62.100 0.053 0.000 0.901 395 T CB -0.021 68.878 68.868 0.052 0.000 1.083 395 T HN 0.289 nan 8.240 nan 0.000 0.559 396 D N 1.956 122.423 120.400 0.113 0.000 2.506 396 D HA 0.586 5.226 4.640 -0.000 0.000 0.272 396 D C -0.269 176.147 176.300 0.192 0.000 1.214 396 D CA -0.503 53.586 54.000 0.149 0.000 1.067 396 D CB 0.654 41.516 40.800 0.104 0.000 1.117 396 D HN 0.354 nan 8.370 nan 0.000 0.578 397 N N -0.939 117.882 118.700 0.202 0.000 2.635 397 N HA 0.309 5.049 4.740 -0.000 0.000 0.260 397 N C -3.027 172.593 175.510 0.184 0.000 1.078 397 N CA -0.961 52.225 53.050 0.228 0.000 1.012 397 N CB 1.601 40.340 38.487 0.420 0.000 1.677 397 N HN -0.057 nan 8.380 nan 0.000 0.514 398 P HA 0.337 nan 4.420 nan 0.000 0.274 398 P C -0.840 176.490 177.300 0.050 0.000 1.256 398 P CA -0.362 62.794 63.100 0.093 0.000 0.795 398 P CB 0.744 32.446 31.700 0.004 0.000 1.038 399 L N 1.491 122.711 121.223 -0.005 0.000 2.313 399 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 399 L C 0.034 176.875 176.870 -0.049 0.000 1.013 399 L CA -0.755 54.067 54.840 -0.030 0.000 0.816 399 L CB 0.996 42.989 42.059 -0.111 0.000 1.236 399 L HN 0.228 nan 8.230 nan 0.000 0.419 400 I N 2.314 122.867 120.570 -0.027 0.000 2.371 400 I HA 0.090 4.260 4.170 -0.000 0.000 0.290 400 I C 0.064 176.086 176.117 -0.158 0.000 1.028 400 I CA -0.001 61.256 61.300 -0.073 0.000 1.345 400 I CB 1.059 39.045 38.000 -0.023 0.000 1.407 400 I HN 0.537 nan 8.210 nan 0.000 0.501 401 D N 6.476 126.753 120.400 -0.206 0.000 2.970 401 D HA 0.165 4.805 4.640 -0.000 0.000 0.282 401 D C 1.137 177.280 176.300 -0.262 0.000 1.291 401 D CA -0.348 53.532 54.000 -0.200 0.000 0.967 401 D CB 0.565 41.271 40.800 -0.156 0.000 1.017 401 D HN 0.302 nan 8.370 nan 0.000 0.512 402 V N 2.111 121.841 119.914 -0.306 0.000 2.277 402 V HA -0.348 3.772 4.120 -0.000 0.000 0.255 402 V C 2.104 178.081 176.094 -0.195 0.000 1.074 402 V CA 2.571 64.664 62.300 -0.345 0.000 1.058 402 V CB -0.771 30.954 31.823 -0.164 0.000 0.656 402 V HN 0.672 nan 8.190 nan 0.000 0.449 403 E N -0.095 120.041 120.200 -0.106 0.000 2.526 403 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 403 E C 0.977 177.548 176.600 -0.049 0.000 1.091 403 E CA 1.046 57.412 56.400 -0.057 0.000 0.880 403 E CB -0.274 29.406 29.700 -0.033 0.000 0.873 403 E HN 0.692 nan 8.360 nan 0.000 0.527 404 N N 0.092 118.747 118.700 -0.075 0.000 2.118 404 N HA 0.086 4.826 4.740 -0.000 0.000 0.226 404 N C -0.996 174.497 175.510 -0.029 0.000 1.305 404 N CA -0.261 52.768 53.050 -0.034 0.000 0.890 404 N CB 0.799 39.276 38.487 -0.016 0.000 1.118 404 N HN -0.090 nan 8.380 nan 0.000 0.511 405 K N 0.248 120.585 120.400 -0.105 0.000 3.148 405 K HA -0.151 4.169 4.320 -0.000 0.000 0.267 405 K C -0.698 175.936 176.600 0.056 0.000 0.996 405 K CA 1.109 57.376 56.287 -0.034 0.000 0.737 405 K CB -2.475 30.146 32.500 0.202 0.000 1.308 405 K HN 0.516 nan 8.250 nan 0.000 0.470 406 T N -4.323 110.169 114.554 -0.104 0.000 2.896 406 T HA 0.778 5.128 4.350 -0.000 0.000 0.297 406 T C -0.202 174.509 174.700 0.018 0.000 1.108 406 T CA -0.843 61.279 62.100 0.037 0.000 1.004 406 T CB 2.337 71.232 68.868 0.045 0.000 1.159 406 T HN -0.068 nan 8.240 nan 0.000 0.499 407 S N 0.329 116.045 115.700 0.027 0.000 2.532 407 S HA 0.688 5.157 4.470 -0.000 0.000 0.301 407 S C -1.331 173.130 174.600 -0.231 0.000 1.083 407 S CA -0.676 57.511 58.200 -0.022 0.000 1.025 407 S CB 0.688 63.879 63.200 -0.015 0.000 1.056 407 S HN 0.802 nan 8.310 nan 0.000 0.494 408 H N 1.026 119.919 119.070 -0.294 0.000 2.637 408 H HA 0.448 5.004 4.556 -0.000 0.000 0.363 408 H C -0.790 174.315 175.328 -0.373 0.000 1.131 408 H CA -0.504 55.380 56.048 -0.272 0.000 1.183 408 H CB 0.914 30.586 29.762 -0.151 0.000 1.637 408 H HN 0.517 nan 8.280 nan 0.000 0.531 409 H N 2.134 121.258 119.070 0.090 0.000 2.638 409 H HA 0.481 5.037 4.556 -0.000 0.000 0.303 409 H C 0.272 175.644 175.328 0.072 0.000 1.034 409 H CA -0.380 55.719 56.048 0.085 0.000 1.225 409 H CB 1.331 31.130 29.762 0.060 0.000 1.394 409 H HN 0.882 nan 8.280 nan 0.000 0.477 410 G N 0.723 109.611 108.800 0.147 0.000 3.183 410 G HA2 0.454 4.414 3.960 -0.000 0.000 0.247 410 G HA3 0.454 4.414 3.960 -0.000 0.000 0.247 410 G C -0.048 174.807 174.900 -0.076 0.000 1.211 410 G CA -0.428 44.693 45.100 0.036 0.000 0.835 410 G HN 0.511 nan 8.290 nan 0.000 0.604 411 G N -0.123 108.497 108.800 -0.299 0.000 4.716 411 G HA2 0.225 4.185 3.960 -0.000 0.000 0.282 411 G HA3 0.225 4.185 3.960 -0.000 0.000 0.282 411 G C 0.280 174.630 174.900 -0.916 0.000 1.173 411 G CA -0.229 44.346 45.100 -0.876 0.000 0.913 411 G HN 0.279 nan 8.290 nan 0.000 0.566 412 N N 0.965 119.363 118.700 -0.504 0.000 2.635 412 N HA -0.052 4.688 4.740 -0.000 0.000 0.191 412 N C 1.325 176.713 175.510 -0.204 0.000 1.155 412 N CA 0.393 53.278 53.050 -0.275 0.000 0.927 412 N CB -0.182 38.235 38.487 -0.115 0.000 0.976 412 N HN 0.657 nan 8.380 nan 0.000 0.448 413 F N -0.565 119.395 119.950 0.016 0.000 2.776 413 F HA 0.310 4.837 4.527 -0.000 0.000 0.300 413 F C 0.855 176.663 175.800 0.013 0.000 1.116 413 F CA -0.798 57.211 58.000 0.015 0.000 1.375 413 F CB -0.662 38.352 39.000 0.022 0.000 1.109 413 F HN -0.228 nan 8.300 nan 0.000 0.585 414 Q N 2.322 122.065 119.800 -0.096 0.000 2.381 414 Q HA 0.450 4.790 4.340 -0.000 0.000 0.243 414 Q C 0.697 176.704 176.000 0.012 0.000 1.154 414 Q CA 0.052 55.868 55.803 0.022 0.000 0.899 414 Q CB 0.815 29.493 28.738 -0.100 0.000 1.396 414 Q HN 0.378 nan 8.270 nan 0.000 0.485 415 A N 3.776 126.630 122.820 0.057 0.000 2.233 415 A HA 0.223 4.543 4.320 -0.000 0.000 0.230 415 A C 1.629 179.225 177.584 0.020 0.000 1.347 415 A CA 0.690 52.747 52.037 0.033 0.000 1.087 415 A CB -0.702 18.323 19.000 0.043 0.000 0.871 415 A HN 0.869 nan 8.150 nan 0.000 0.519 416 A N 0.114 122.941 122.820 0.011 0.000 1.948 416 A HA 0.027 4.347 4.320 -0.000 0.000 0.220 416 A C 2.444 180.032 177.584 0.007 0.000 1.177 416 A CA 2.000 54.041 52.037 0.008 0.000 0.636 416 A CB -0.750 18.250 19.000 0.000 0.000 0.815 416 A HN 1.161 nan 8.150 nan 0.000 0.449 417 A N -0.315 122.507 122.820 0.004 0.000 1.908 417 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 417 A C 2.367 179.960 177.584 0.015 0.000 1.181 417 A CA 2.271 54.315 52.037 0.011 0.000 0.627 417 A CB -1.111 17.892 19.000 0.005 0.000 0.818 417 A HN 1.288 nan 8.150 nan 0.000 0.445 418 V N -2.790 117.129 119.914 0.010 0.000 2.951 418 V HA 0.245 4.365 4.120 -0.000 0.000 0.255 418 V C 2.284 178.383 176.094 0.008 0.000 1.088 418 V CA 1.586 63.891 62.300 0.008 0.000 1.109 418 V CB -0.611 31.215 31.823 0.005 0.000 0.724 418 V HN 0.507 nan 8.190 nan 0.000 0.471 419 A N 0.882 123.707 122.820 0.009 0.000 1.929 419 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 419 A C 2.254 179.838 177.584 0.001 0.000 1.176 419 A CA 1.645 53.687 52.037 0.007 0.000 0.628 419 A CB -0.934 18.073 19.000 0.012 0.000 0.816 419 A HN 0.657 nan 8.150 nan 0.000 0.444 420 N N 0.355 119.056 118.700 0.001 0.000 2.244 420 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 420 N C 1.041 176.545 175.510 -0.011 0.000 1.016 420 N CA 1.556 54.602 53.050 -0.007 0.000 0.866 420 N CB -0.227 38.258 38.487 -0.004 0.000 0.980 420 N HN 0.579 nan 8.380 nan 0.000 0.430 424 K N 1.152 121.527 120.400 -0.042 0.000 2.057 424 K HA 0.010 4.330 4.320 -0.000 0.000 0.207 424 K C 2.025 178.595 176.600 -0.050 0.000 1.049 424 K CA 1.961 58.215 56.287 -0.056 0.000 0.931 424 K CB -0.100 32.355 32.500 -0.074 0.000 0.714 424 K HN 0.005 nan 8.250 nan 0.000 0.440 425 T N 0.454 114.983 114.554 -0.042 0.000 2.746 425 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 425 T C 1.797 176.479 174.700 -0.031 0.000 1.039 425 T CA 1.201 63.276 62.100 -0.042 0.000 1.142 425 T CB -0.115 68.727 68.868 -0.043 0.000 0.866 425 T HN 0.228 nan 8.240 nan 0.000 0.444 426 R N 0.260 120.746 120.500 -0.024 0.000 2.096 426 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 426 R C 2.318 178.610 176.300 -0.013 0.000 1.127 426 R CA 1.003 57.094 56.100 -0.015 0.000 0.968 426 R CB -0.423 29.867 30.300 -0.017 0.000 0.861 426 R HN 0.258 nan 8.270 nan 0.000 0.440 427 L N 0.105 121.314 121.223 -0.024 0.000 2.056 427 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 427 L C 2.102 178.958 176.870 -0.024 0.000 1.078 427 L CA 2.318 57.142 54.840 -0.026 0.000 0.749 427 L CB -1.032 41.000 42.059 -0.045 0.000 0.901 427 L HN 0.261 nan 8.230 nan 0.000 0.433 428 G N -0.413 108.366 108.800 -0.035 0.000 2.418 428 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 428 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 428 G C 1.620 176.526 174.900 0.011 0.000 1.158 428 G CA 1.048 46.128 45.100 -0.032 0.000 0.771 428 G HN 0.441 nan 8.290 nan 0.000 0.545 429 L N 0.525 121.756 121.223 0.014 0.000 2.131 429 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 429 L C 3.304 180.216 176.870 0.070 0.000 1.092 429 L CA 0.968 55.831 54.840 0.038 0.000 0.759 429 L CB -0.279 41.794 42.059 0.024 0.000 0.903 429 L HN 0.333 nan 8.230 nan 0.000 0.435 430 A N -1.028 121.831 122.820 0.064 0.000 1.970 430 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 430 A C 2.221 179.897 177.584 0.152 0.000 1.170 430 A CA 0.697 52.789 52.037 0.092 0.000 0.645 430 A CB -0.139 18.900 19.000 0.066 0.000 0.816 430 A HN 0.357 nan 8.150 nan 0.000 0.447 431 Q N -0.170 119.715 119.800 0.141 0.000 2.123 431 Q HA -0.029 4.311 4.340 -0.000 0.000 0.199 431 Q C 2.041 178.304 176.000 0.437 0.000 0.966 431 Q CA 1.103 57.056 55.803 0.249 0.000 0.845 431 Q CB -0.334 28.394 28.738 -0.015 0.000 0.907 431 Q HN 0.757 nan 8.270 nan 0.000 0.439 432 I N 0.408 121.137 120.570 0.266 0.000 2.233 432 I HA -0.161 4.009 4.170 -0.000 0.000 0.243 432 I C 2.380 178.643 176.117 0.245 0.000 1.093 432 I CA 1.116 62.573 61.300 0.262 0.000 1.380 432 I CB -0.727 37.372 38.000 0.165 0.000 1.067 432 I HN 0.206 nan 8.210 nan 0.000 0.413 433 G N 1.112 110.034 108.800 0.204 0.000 2.476 433 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.218 433 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.218 433 G C 1.641 176.678 174.900 0.227 0.000 1.164 433 G CA 1.403 46.619 45.100 0.194 0.000 0.768 433 G HN 0.215 nan 8.290 nan 0.000 0.560 434 K N 0.105 120.652 120.400 0.245 0.000 2.032 434 K HA -0.045 4.275 4.320 -0.000 0.000 0.209 434 K C 2.349 179.034 176.600 0.141 0.000 1.048 434 K CA 1.307 57.740 56.287 0.243 0.000 0.927 434 K CB -0.710 31.974 32.500 0.307 0.000 0.712 434 K HN 0.268 nan 8.250 nan 0.000 0.441 435 L N 1.044 122.311 121.223 0.073 0.000 1.994 435 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 435 L C 1.495 178.363 176.870 -0.003 0.000 1.071 435 L CA 2.051 56.812 54.840 -0.131 0.000 0.745 435 L CB -0.822 41.155 42.059 -0.136 0.000 0.892 435 L HN 0.293 nan 8.230 nan 0.000 0.431 436 N N -1.448 117.325 118.700 0.121 0.000 2.223 436 N HA -0.225 4.515 4.740 -0.000 0.000 0.185 436 N C 1.586 177.109 175.510 0.022 0.000 1.016 436 N CA 1.527 54.675 53.050 0.163 0.000 0.863 436 N CB -0.345 38.322 38.487 0.299 0.000 0.983 436 N HN 0.440 nan 8.380 nan 0.000 0.429 437 F N 1.549 121.474 119.950 -0.041 0.000 2.113 437 F HA -0.124 4.403 4.527 -0.000 0.000 0.297 437 F C 2.382 178.112 175.800 -0.118 0.000 1.103 437 F CA 1.583 59.535 58.000 -0.081 0.000 1.248 437 F CB -1.119 37.865 39.000 -0.026 0.000 0.999 437 F HN 0.047 nan 8.300 nan 0.000 0.475 438 T N -1.840 112.483 114.554 -0.385 0.000 3.007 438 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 438 T C 1.778 176.261 174.700 -0.361 0.000 1.107 438 T CA 1.420 63.227 62.100 -0.488 0.000 1.118 438 T CB -0.492 68.221 68.868 -0.259 0.000 0.889 438 T HN 0.499 nan 8.240 nan 0.000 0.506 439 Q N -0.092 119.550 119.800 -0.264 0.000 2.033 439 Q HA 0.138 4.478 4.340 -0.000 0.000 0.196 439 Q C 2.216 178.061 176.000 -0.257 0.000 0.970 439 Q CA 1.037 56.741 55.803 -0.165 0.000 0.828 439 Q CB -0.260 28.483 28.738 0.008 0.000 0.895 439 Q HN 0.425 nan 8.270 nan 0.000 0.440 440 L N 0.427 121.367 121.223 -0.472 0.000 2.012 440 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 440 L C 2.081 178.754 176.870 -0.328 0.000 1.073 440 L CA 2.147 56.705 54.840 -0.469 0.000 0.748 440 L CB -0.903 40.817 42.059 -0.564 0.000 0.891 440 L HN 0.209 nan 8.230 nan 0.000 0.431 441 T N -0.700 113.568 114.554 -0.477 0.000 2.720 441 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 441 T C 0.914 175.456 174.700 -0.264 0.000 1.037 441 T CA 1.106 62.956 62.100 -0.417 0.000 1.144 441 T CB -0.439 68.023 68.868 -0.676 0.000 0.864 441 T HN 0.485 nan 8.240 nan 0.000 0.444 445 N N 1.953 120.614 118.700 -0.065 0.000 2.406 445 N HA 0.293 5.033 4.740 -0.000 0.000 0.251 445 N C 0.984 176.469 175.510 -0.040 0.000 1.069 445 N CA 0.830 53.848 53.050 -0.052 0.000 0.947 445 N CB 2.004 40.450 38.487 -0.069 0.000 1.111 445 N HN 0.239 nan 8.380 nan 0.000 0.497 446 A N 3.689 126.494 122.820 -0.024 0.000 1.927 446 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 446 A C 1.218 178.785 177.584 -0.028 0.000 1.185 446 A CA 1.690 53.714 52.037 -0.021 0.000 0.639 446 A CB -1.001 17.998 19.000 -0.002 0.000 0.820 446 A HN 0.656 nan 8.150 nan 0.000 0.451 450 R N 0.649 121.134 120.500 -0.026 0.000 3.188 450 R HA -0.081 4.259 4.340 -0.000 0.000 0.247 450 R C 0.930 177.218 176.300 -0.020 0.000 0.918 450 R CA 0.948 57.039 56.100 -0.015 0.000 0.629 450 R CB -2.129 28.174 30.300 0.004 0.000 1.087 450 R HN 0.936 nan 8.270 nan 0.000 0.462 451 G N -0.898 107.880 108.800 -0.037 0.000 2.176 451 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 451 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 451 G C 0.291 175.156 174.900 -0.059 0.000 0.979 451 G CA 0.147 45.218 45.100 -0.049 0.000 0.641 451 G HN 0.292 nan 8.290 nan 0.000 0.530 452 L N 1.080 122.268 121.223 -0.059 0.000 2.464 452 L HA 0.390 4.730 4.340 -0.000 0.000 0.264 452 L C -1.607 175.228 176.870 -0.058 0.000 1.199 452 L CA -1.961 52.838 54.840 -0.068 0.000 0.818 452 L CB 0.565 42.580 42.059 -0.073 0.000 1.102 452 L HN -0.098 nan 8.230 nan 0.000 0.473 453 P HA 0.003 nan 4.420 nan 0.000 0.268 453 P C 0.374 177.668 177.300 -0.009 0.000 1.205 453 P CA -0.079 62.999 63.100 -0.036 0.000 0.771 453 P CB 0.887 32.568 31.700 -0.031 0.000 0.858 454 S N 2.614 118.317 115.700 0.005 0.000 2.180 454 S HA -0.337 4.133 4.470 -0.000 0.000 0.422 454 S C 1.002 175.626 174.600 0.041 0.000 1.021 454 S CA 2.132 60.352 58.200 0.033 0.000 2.417 454 S CB -1.880 61.358 63.200 0.063 0.000 1.807 454 S HN 0.576 nan 8.310 nan 0.000 0.507 455 C N 1.053 120.395 119.300 0.072 0.000 2.422 455 C HA 0.683 5.143 4.460 -0.000 0.000 0.301 455 C C 0.348 175.381 174.990 0.071 0.000 1.444 455 C CA -0.377 58.687 59.018 0.077 0.000 1.771 455 C CB -1.504 26.321 27.740 0.142 0.000 2.834 455 C HN 0.701 nan 8.230 nan 0.000 0.545 456 L N 0.355 121.608 121.223 0.050 0.000 3.865 456 L HA -0.214 4.126 4.340 -0.000 0.000 0.408 456 L C 0.952 177.946 176.870 0.207 0.000 1.209 456 L CA 1.041 55.922 54.840 0.069 0.000 0.940 456 L CB -1.886 40.172 42.059 -0.001 0.000 1.971 456 L HN 0.632 nan 8.230 nan 0.000 0.899 457 A N -0.650 122.252 122.820 0.137 0.000 2.362 457 A HA 0.721 5.041 4.320 -0.000 0.000 0.276 457 A C 1.496 179.104 177.584 0.041 0.000 1.153 457 A CA 0.263 52.360 52.037 0.101 0.000 0.813 457 A CB 0.816 19.824 19.000 0.013 0.000 1.081 457 A HN 0.710 nan 8.150 nan 0.000 0.507 458 A N 2.125 124.970 122.820 0.042 0.000 2.015 458 A HA 0.078 4.398 4.320 -0.000 0.000 0.219 458 A C 1.084 178.636 177.584 -0.053 0.000 1.163 458 A CA 1.152 53.228 52.037 0.064 0.000 0.646 458 A CB -0.119 19.028 19.000 0.245 0.000 0.806 458 A HN 0.776 nan 8.150 nan 0.000 0.448 459 E N -0.155 119.961 120.200 -0.141 0.000 2.450 459 E HA 0.256 4.606 4.350 -0.000 0.000 0.248 459 E C -1.182 175.338 176.600 -0.134 0.000 0.930 459 E CA -1.002 55.265 56.400 -0.221 0.000 0.854 459 E CB -0.032 29.422 29.700 -0.410 0.000 1.355 459 E HN 0.106 nan 8.360 nan 0.000 0.402 460 D N 2.261 122.593 120.400 -0.114 0.000 2.793 460 D HA -0.055 4.585 4.640 -0.000 0.000 0.230 460 D C -1.642 174.605 176.300 -0.088 0.000 1.139 460 D CA -0.424 53.536 54.000 -0.067 0.000 0.838 460 D CB 0.199 40.980 40.800 -0.032 0.000 1.149 460 D HN 0.041 nan 8.370 nan 0.000 0.526 461 P HA -0.144 nan 4.420 nan 0.000 0.222 461 P C 1.237 178.477 177.300 -0.100 0.000 1.147 461 P CA 0.947 64.002 63.100 -0.075 0.000 0.790 461 P CB 0.157 31.860 31.700 0.005 0.000 0.780 462 S N -1.410 114.257 115.700 -0.055 0.000 2.442 462 S HA -0.081 4.389 4.470 -0.000 0.000 0.236 462 S C 1.134 175.689 174.600 -0.074 0.000 1.007 462 S CA 1.064 59.258 58.200 -0.010 0.000 0.965 462 S CB -0.786 62.413 63.200 -0.002 0.000 0.773 462 S HN 0.041 nan 8.310 nan 0.000 0.504 463 L N 0.932 122.031 121.223 -0.207 0.000 3.347 463 L HA 0.515 4.855 4.340 -0.000 0.000 0.306 463 L C -0.030 176.578 176.870 -0.436 0.000 1.301 463 L CA 0.186 54.871 54.840 -0.259 0.000 0.985 463 L CB 1.023 43.029 42.059 -0.089 0.000 1.400 463 L HN 0.218 nan 8.230 nan 0.000 0.601 464 S N -0.864 114.392 115.700 -0.742 0.000 2.689 464 S HA 0.487 4.957 4.470 -0.000 0.000 0.274 464 S C -0.878 173.318 174.600 -0.672 0.000 1.176 464 S CA -0.244 57.617 58.200 -0.565 0.000 1.014 464 S CB 0.480 63.533 63.200 -0.244 0.000 1.071 464 S HN 0.188 nan 8.310 nan 0.000 0.478 465 Y N 3.881 124.226 120.300 0.075 0.000 2.706 465 Y HA 0.338 4.888 4.550 -0.000 0.000 0.255 465 Y C 1.558 177.542 175.900 0.141 0.000 1.163 465 Y CA -0.313 57.835 58.100 0.081 0.000 1.174 465 Y CB -0.922 37.567 38.460 0.049 0.000 1.200 465 Y HN 0.953 nan 8.280 nan 0.000 0.544 466 H N -0.065 119.057 119.070 0.087 0.000 1.527 466 H HA -0.415 4.141 4.556 -0.000 0.000 0.107 466 H C 0.714 176.127 175.328 0.141 0.000 1.179 466 H CA 2.321 58.434 56.048 0.108 0.000 1.867 466 H CB -0.408 29.411 29.762 0.096 0.000 2.221 466 H HN 0.419 nan 8.280 nan 0.000 0.947 467 C N 1.420 120.751 119.300 0.051 0.000 2.693 467 C HA 0.135 4.595 4.460 -0.000 0.000 0.286 467 C C 2.288 177.297 174.990 0.033 0.000 1.277 467 C CA -0.051 58.943 59.018 -0.040 0.000 1.705 467 C CB -0.693 26.965 27.740 -0.137 0.000 1.879 467 C HN 0.530 nan 8.230 nan 0.000 0.607 468 K N 1.899 122.350 120.400 0.086 0.000 2.063 468 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 468 K C 2.092 178.709 176.600 0.028 0.000 1.048 468 K CA 1.976 58.299 56.287 0.060 0.000 0.928 468 K CB -0.415 32.131 32.500 0.078 0.000 0.713 468 K HN 0.511 nan 8.250 nan 0.000 0.442 469 G N 1.112 109.933 108.800 0.036 0.000 2.422 469 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 469 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 469 G C 1.436 176.326 174.900 -0.017 0.000 1.140 469 G CA 0.447 45.550 45.100 0.004 0.000 0.775 469 G HN 0.239 nan 8.290 nan 0.000 0.545 470 L N 0.232 121.454 121.223 -0.002 0.000 2.376 470 L HA 0.026 4.366 4.340 -0.000 0.000 0.219 470 L C 2.319 179.194 176.870 0.010 0.000 1.133 470 L CA 0.748 55.587 54.840 -0.002 0.000 0.816 470 L CB -0.077 41.991 42.059 0.015 0.000 0.933 470 L HN 0.166 nan 8.230 nan 0.000 0.449 471 D N 0.565 120.973 120.400 0.014 0.000 2.137 471 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 471 D C 2.154 178.485 176.300 0.052 0.000 0.970 471 D CA 1.142 55.171 54.000 0.049 0.000 0.837 471 D CB 0.164 40.982 40.800 0.030 0.000 0.981 471 D HN 0.224 nan 8.370 nan 0.000 0.475 472 I N 0.428 120.985 120.570 -0.021 0.000 2.252 472 I HA -0.161 4.008 4.170 -0.000 0.000 0.245 472 I C 2.473 178.472 176.117 -0.197 0.000 1.102 472 I CA 0.923 62.176 61.300 -0.078 0.000 1.385 472 I CB -0.269 37.684 38.000 -0.078 0.000 1.064 472 I HN 0.005 nan 8.210 nan 0.000 0.414 473 A N 0.904 123.579 122.820 -0.242 0.000 1.908 473 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 473 A C 2.561 179.664 177.584 -0.803 0.000 1.181 473 A CA 1.943 53.660 52.037 -0.534 0.000 0.627 473 A CB -0.903 17.873 19.000 -0.373 0.000 0.818 473 A HN 0.426 nan 8.150 nan 0.000 0.445 474 A N -0.178 122.457 122.820 -0.309 0.000 1.908 474 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 474 A C 2.479 179.862 177.584 -0.334 0.000 1.181 474 A CA 2.252 54.240 52.037 -0.082 0.000 0.627 474 A CB -0.975 18.176 19.000 0.251 0.000 0.818 474 A HN 1.125 nan 8.150 nan 0.000 0.445 475 A N -0.477 122.078 122.820 -0.442 0.000 1.969 475 A HA 0.247 4.567 4.320 -0.000 0.000 0.218 475 A C 2.431 179.723 177.584 -0.487 0.000 1.169 475 A CA 1.793 53.376 52.037 -0.757 0.000 0.635 475 A CB -0.791 17.950 19.000 -0.432 0.000 0.810 475 A HN 0.993 nan 8.150 nan 0.000 0.445 476 A N -1.028 121.535 122.820 -0.428 0.000 1.898 476 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 476 A C 2.074 179.535 177.584 -0.205 0.000 1.181 476 A CA 1.301 53.142 52.037 -0.325 0.000 0.620 476 A CB -0.800 17.980 19.000 -0.367 0.000 0.819 476 A HN 0.649 nan 8.150 nan 0.000 0.442 477 Y N 0.201 120.427 120.300 -0.123 0.000 2.145 477 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 477 Y C 3.012 178.857 175.900 -0.092 0.000 1.145 477 Y CA 1.182 59.234 58.100 -0.081 0.000 1.148 477 Y CB -0.781 37.651 38.460 -0.047 0.000 0.981 477 Y HN 0.244 nan 8.280 nan 0.000 0.507 478 T N -0.501 114.035 114.554 -0.029 0.000 2.720 478 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 478 T C 2.060 176.719 174.700 -0.069 0.000 1.037 478 T CA 1.654 63.701 62.100 -0.088 0.000 1.144 478 T CB -0.418 68.255 68.868 -0.325 0.000 0.864 478 T HN 0.285 nan 8.240 nan 0.000 0.444 479 S N 0.800 116.429 115.700 -0.119 0.000 2.356 479 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 479 S C 2.055 176.659 174.600 0.007 0.000 1.032 479 S CA 1.177 59.337 58.200 -0.065 0.000 1.005 479 S CB -0.329 62.812 63.200 -0.098 0.000 0.867 479 S HN 0.582 nan 8.310 nan 0.000 0.449 480 E N 0.766 120.979 120.200 0.022 0.000 2.118 480 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 480 E C 1.931 178.591 176.600 0.099 0.000 0.992 480 E CA 0.808 57.248 56.400 0.068 0.000 0.804 480 E CB -0.136 29.609 29.700 0.075 0.000 0.741 480 E HN 0.427 nan 8.360 nan 0.000 0.458 481 L N -0.310 120.959 121.223 0.078 0.000 2.093 481 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 481 L C 2.549 179.459 176.870 0.067 0.000 1.085 481 L CA 1.024 55.907 54.840 0.071 0.000 0.755 481 L CB -0.583 41.519 42.059 0.072 0.000 0.904 481 L HN 0.277 nan 8.230 nan 0.000 0.435 482 G N -0.874 107.968 108.800 0.070 0.000 2.421 482 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.216 482 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.216 482 G C 1.364 176.309 174.900 0.075 0.000 1.171 482 G CA 1.119 46.259 45.100 0.068 0.000 0.775 482 G HN 0.444 nan 8.290 nan 0.000 0.543 483 H N 0.383 119.458 119.070 0.008 0.000 2.353 483 H HA 0.106 4.662 4.556 -0.000 0.000 0.300 483 H C 2.445 177.777 175.328 0.007 0.000 1.090 483 H CA 1.323 57.375 56.048 0.006 0.000 1.327 483 H CB -0.262 29.499 29.762 -0.002 0.000 1.383 483 H HN 0.276 nan 8.280 nan 0.000 0.508 484 L N -0.193 121.007 121.223 -0.039 0.000 2.141 484 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 484 L C 2.693 179.508 176.870 -0.091 0.000 1.094 484 L CA 0.825 55.612 54.840 -0.088 0.000 0.763 484 L CB -0.537 41.528 42.059 0.010 0.000 0.908 484 L HN 0.457 nan 8.230 nan 0.000 0.437 485 A N -0.464 122.326 122.820 -0.051 0.000 2.125 485 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 485 A C 0.973 178.528 177.584 -0.048 0.000 1.156 485 A CA 0.635 52.651 52.037 -0.035 0.000 0.671 485 A CB -0.679 18.316 19.000 -0.007 0.000 0.794 485 A HN 0.413 nan 8.150 nan 0.000 0.459 486 N N 0.773 119.424 118.700 -0.082 0.000 2.416 486 N HA 0.200 4.940 4.740 -0.000 0.000 0.246 486 N C -2.687 172.806 175.510 -0.028 0.000 1.260 486 N CA -0.894 52.123 53.050 -0.054 0.000 0.897 486 N CB -0.212 38.232 38.487 -0.072 0.000 1.110 486 N HN 0.104 nan 8.380 nan 0.000 0.439 487 P HA 0.064 nan 4.420 nan 0.000 0.269 487 P C 0.476 177.827 177.300 0.086 0.000 1.215 487 P CA -0.246 62.866 63.100 0.020 0.000 0.780 487 P CB 0.800 32.501 31.700 0.001 0.000 0.898 488 V N 0.760 120.720 119.914 0.077 0.000 2.908 488 V HA -0.074 4.046 4.120 -0.000 0.000 0.240 488 V C 2.113 178.291 176.094 0.141 0.000 1.117 488 V CA 1.633 64.007 62.300 0.123 0.000 1.133 488 V CB -1.254 30.595 31.823 0.043 0.000 0.857 488 V HN 0.652 nan 8.190 nan 0.000 0.478 489 T N -0.832 113.757 114.554 0.059 0.000 3.139 489 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 489 T C 1.460 176.153 174.700 -0.013 0.000 1.164 489 T CA 1.551 63.667 62.100 0.027 0.000 1.075 489 T CB -0.686 68.186 68.868 0.007 0.000 0.904 489 T HN 0.597 nan 8.240 nan 0.000 0.540 490 T N -1.564 112.950 114.554 -0.068 0.000 3.144 490 T HA 0.102 4.452 4.350 -0.000 0.000 0.249 490 T C 0.812 175.294 174.700 -0.362 0.000 1.089 490 T CA -0.185 61.791 62.100 -0.207 0.000 0.989 490 T CB -0.360 68.347 68.868 -0.269 0.000 0.992 490 T HN 0.544 nan 8.240 nan 0.000 0.540 491 H N 0.903 119.968 119.070 -0.007 0.000 2.472 491 H HA 0.377 4.933 4.556 -0.000 0.000 0.287 491 H C -0.105 175.223 175.328 -0.000 0.000 1.112 491 H CA -0.427 55.618 56.048 -0.004 0.000 1.021 491 H CB 0.304 30.061 29.762 -0.007 0.000 1.635 491 H HN 0.247 nan 8.280 nan 0.000 0.559 492 V N 2.840 122.786 119.914 0.054 0.000 2.529 492 V HA -0.039 4.081 4.120 -0.000 0.000 0.292 492 V C 0.630 176.747 176.094 0.038 0.000 1.028 492 V CA 0.105 62.431 62.300 0.043 0.000 1.074 492 V CB 0.951 32.787 31.823 0.022 0.000 0.958 492 V HN 0.311 nan 8.190 nan 0.000 0.481 493 Q N 6.017 125.841 119.800 0.041 0.000 2.193 493 Q HA 0.413 4.752 4.340 -0.000 0.000 0.246 493 Q C -2.394 173.621 176.000 0.026 0.000 0.959 493 Q CA -2.445 53.378 55.803 0.033 0.000 0.904 493 Q CB 1.068 29.826 28.738 0.033 0.000 1.238 493 Q HN 0.433 nan 8.270 nan 0.000 0.469 494 P HA 0.222 nan 4.420 nan 0.000 0.247 494 P C -1.073 176.238 177.300 0.018 0.000 1.756 494 P CA -0.058 63.053 63.100 0.019 0.000 1.117 494 P CB -0.020 31.689 31.700 0.015 0.000 1.869 495 A N 2.078 124.910 122.820 0.021 0.000 2.287 495 A HA 0.433 4.753 4.320 -0.000 0.000 0.273 495 A C 0.567 178.160 177.584 0.014 0.000 1.091 495 A CA -0.212 51.836 52.037 0.019 0.000 0.817 495 A CB -0.097 18.916 19.000 0.022 0.000 1.069 495 A HN 0.541 nan 8.150 nan 0.000 0.492 499 N N 0.255 118.962 118.700 0.011 0.000 2.409 499 N HA 0.008 4.748 4.740 -0.000 0.000 0.174 499 N C 0.478 176.005 175.510 0.029 0.000 1.037 499 N CA 0.757 53.816 53.050 0.015 0.000 0.898 499 N CB 0.250 38.739 38.487 0.003 0.000 1.010 499 N HN 0.664 nan 8.380 nan 0.000 0.445 500 Q N 0.324 120.141 119.800 0.028 0.000 2.715 500 Q HA 0.350 4.690 4.340 -0.000 0.000 0.399 500 Q C 0.689 176.714 176.000 0.042 0.000 1.017 500 Q CA -0.461 55.368 55.803 0.043 0.000 1.077 500 Q CB 0.985 29.742 28.738 0.032 0.000 1.350 500 Q HN 0.232 nan 8.270 nan 0.000 0.421 501 A N 0.624 123.467 122.820 0.038 0.000 1.940 501 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 501 A C 1.162 178.766 177.584 0.033 0.000 1.176 501 A CA 1.257 53.313 52.037 0.031 0.000 0.631 501 A CB -0.068 18.947 19.000 0.025 0.000 0.814 501 A HN 0.357 nan 8.150 nan 0.000 0.446 502 V N -0.425 119.516 119.914 0.044 0.000 2.378 502 V HA 0.642 4.762 4.120 -0.000 0.000 0.288 502 V C -1.123 175.009 176.094 0.062 0.000 1.016 502 V CA -0.725 61.601 62.300 0.043 0.000 0.840 502 V CB 0.657 32.501 31.823 0.035 0.000 0.994 502 V HN 0.572 nan 8.190 nan 0.000 0.431 503 N N 2.332 121.065 118.700 0.055 0.000 2.225 503 N HA 0.499 5.239 4.740 -0.000 0.000 0.298 503 N C 0.765 176.308 175.510 0.054 0.000 1.076 503 N CA -0.228 52.862 53.050 0.068 0.000 0.792 503 N CB 2.132 40.655 38.487 0.060 0.000 1.498 503 N HN 0.553 nan 8.380 nan 0.000 0.474 504 S N 2.106 117.841 115.700 0.059 0.000 2.387 504 S HA -0.074 4.395 4.470 -0.000 0.000 0.226 504 S C 0.928 175.549 174.600 0.035 0.000 1.026 504 S CA 0.533 58.758 58.200 0.042 0.000 0.972 504 S CB -0.774 62.452 63.200 0.043 0.000 0.814 504 S HN 0.664 nan 8.310 nan 0.000 0.477 505 L N -0.423 120.822 121.223 0.037 0.000 4.089 505 L HA -0.256 4.084 4.340 -0.000 0.000 0.408 505 L C 1.699 178.582 176.870 0.022 0.000 1.184 505 L CA 0.117 54.975 54.840 0.030 0.000 0.947 505 L CB -2.458 39.622 42.059 0.034 0.000 2.066 505 L HN 0.494 nan 8.230 nan 0.000 0.851 506 A N 0.064 122.898 122.820 0.023 0.000 1.908 506 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 506 A C 1.917 179.507 177.584 0.010 0.000 1.181 506 A CA 2.087 54.134 52.037 0.017 0.000 0.627 506 A CB -0.149 18.863 19.000 0.021 0.000 0.818 506 A HN 0.435 nan 8.150 nan 0.000 0.445 507 L N -0.052 121.177 121.223 0.010 0.000 2.056 507 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 507 L C 2.261 179.129 176.870 -0.002 0.000 1.078 507 L CA 1.681 56.522 54.840 0.002 0.000 0.749 507 L CB -0.405 41.654 42.059 -0.002 0.000 0.901 507 L HN 0.448 nan 8.230 nan 0.000 0.433 508 I N -1.442 119.128 120.570 -0.001 0.000 2.179 508 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 508 I C 2.663 178.777 176.117 -0.005 0.000 1.088 508 I CA 1.538 62.835 61.300 -0.005 0.000 1.357 508 I CB -0.595 37.404 38.000 -0.003 0.000 1.051 508 I HN 0.306 nan 8.210 nan 0.000 0.409 509 S N 0.484 116.184 115.700 0.001 0.000 2.382 509 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 509 S C 2.196 176.793 174.600 -0.004 0.000 1.027 509 S CA 1.423 59.622 58.200 -0.001 0.000 0.991 509 S CB -0.214 62.987 63.200 0.003 0.000 0.823 509 S HN 0.479 nan 8.310 nan 0.000 0.469 510 A N 1.476 124.295 122.820 -0.002 0.000 1.933 510 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 510 A C 2.212 179.795 177.584 -0.003 0.000 1.175 510 A CA 1.307 53.343 52.037 -0.002 0.000 0.628 510 A CB -0.547 18.452 19.000 -0.001 0.000 0.814 510 A HN 0.593 nan 8.150 nan 0.000 0.444 511 R N -0.756 119.741 120.500 -0.006 0.000 2.073 511 R HA -0.086 4.253 4.340 -0.000 0.000 0.234 511 R C 2.445 178.743 176.300 -0.004 0.000 1.134 511 R CA 1.446 57.542 56.100 -0.007 0.000 0.952 511 R CB -0.298 29.995 30.300 -0.012 0.000 0.850 511 R HN 0.393 nan 8.270 nan 0.000 0.433 512 R N -0.142 120.354 120.500 -0.007 0.000 2.096 512 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 512 R C 2.170 178.469 176.300 -0.002 0.000 1.127 512 R CA 1.670 57.766 56.100 -0.006 0.000 0.968 512 R CB -0.703 29.587 30.300 -0.017 0.000 0.861 512 R HN 0.282 nan 8.270 nan 0.000 0.440 513 T N 0.592 115.144 114.554 -0.003 0.000 2.821 513 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 513 T C 1.817 176.520 174.700 0.005 0.000 1.046 513 T CA 1.701 63.800 62.100 -0.001 0.000 1.139 513 T CB -0.211 68.653 68.868 -0.005 0.000 0.871 513 T HN 0.309 nan 8.240 nan 0.000 0.454 514 T N 1.666 116.224 114.554 0.006 0.000 2.720 514 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 514 T C 1.908 176.617 174.700 0.016 0.000 1.037 514 T CA 1.480 63.587 62.100 0.012 0.000 1.144 514 T CB -0.240 68.633 68.868 0.009 0.000 0.864 514 T HN 0.570 nan 8.240 nan 0.000 0.444 515 E N 0.568 120.776 120.200 0.014 0.000 2.150 515 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 515 E C 2.231 178.844 176.600 0.023 0.000 0.985 515 E CA 1.041 57.453 56.400 0.020 0.000 0.814 515 E CB -0.048 29.663 29.700 0.018 0.000 0.752 515 E HN 0.320 nan 8.360 nan 0.000 0.466 516 S N 0.733 116.445 115.700 0.020 0.000 2.383 516 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 516 S C 1.625 176.239 174.600 0.025 0.000 1.026 516 S CA 0.789 59.003 58.200 0.024 0.000 0.981 516 S CB -0.276 62.935 63.200 0.020 0.000 0.818 516 S HN 0.345 nan 8.310 nan 0.000 0.472 517 N N 1.717 120.431 118.700 0.022 0.000 2.061 517 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 517 N C 1.472 177.004 175.510 0.037 0.000 1.030 517 N CA 1.420 54.485 53.050 0.025 0.000 0.856 517 N CB -0.721 37.779 38.487 0.021 0.000 1.023 517 N HN 0.370 nan 8.380 nan 0.000 0.424 518 D N 0.567 120.993 120.400 0.044 0.000 2.087 518 D HA -0.097 4.543 4.640 -0.000 0.000 0.192 518 D C 1.954 178.284 176.300 0.050 0.000 0.993 518 D CA 0.853 54.901 54.000 0.080 0.000 0.828 518 D CB -0.169 40.675 40.800 0.072 0.000 0.968 518 D HN -0.037 nan 8.370 nan 0.000 0.448 519 V N 0.831 120.742 119.914 -0.004 0.000 2.407 519 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 519 V C 2.608 178.647 176.094 -0.092 0.000 1.055 519 V CA 1.120 63.371 62.300 -0.080 0.000 1.049 519 V CB -0.456 31.359 31.823 -0.013 0.000 0.662 519 V HN 0.372 nan 8.190 nan 0.000 0.455 520 L N -0.358 120.862 121.223 -0.004 0.000 2.141 520 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 520 L C 2.521 179.409 176.870 0.029 0.000 1.094 520 L CA 1.650 56.507 54.840 0.028 0.000 0.763 520 L CB -0.250 41.840 42.059 0.052 0.000 0.908 520 L HN 0.403 nan 8.230 nan 0.000 0.437 521 S N 0.192 115.920 115.700 0.046 0.000 2.368 521 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 521 S C 1.887 176.554 174.600 0.113 0.000 1.030 521 S CA 1.124 59.391 58.200 0.111 0.000 0.999 521 S CB -0.238 63.060 63.200 0.164 0.000 0.844 521 S HN 0.370 nan 8.310 nan 0.000 0.459 522 L N 0.648 121.827 121.223 -0.073 0.000 2.083 522 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 522 L C 2.378 179.057 176.870 -0.319 0.000 1.083 522 L CA 0.766 55.373 54.840 -0.388 0.000 0.752 522 L CB -0.454 41.030 42.059 -0.959 0.000 0.899 522 L HN 0.289 nan 8.230 nan 0.000 0.433 523 L N -0.371 120.723 121.223 -0.216 0.000 2.072 523 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 523 L C 2.172 179.153 176.870 0.187 0.000 1.079 523 L CA 1.666 56.579 54.840 0.121 0.000 0.752 523 L CB -0.313 41.860 42.059 0.190 0.000 0.906 523 L HN 0.107 nan 8.230 nan 0.000 0.436 524 L N -0.863 120.448 121.223 0.148 0.000 2.240 524 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 524 L C 2.555 179.530 176.870 0.175 0.000 1.106 524 L CA 0.754 55.701 54.840 0.178 0.000 0.793 524 L CB -0.818 41.317 42.059 0.127 0.000 0.927 524 L HN 0.336 nan 8.230 nan 0.000 0.446 525 A N -0.162 122.754 122.820 0.160 0.000 1.930 525 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 525 A C 2.343 180.045 177.584 0.196 0.000 1.175 525 A CA 2.064 54.206 52.037 0.175 0.000 0.627 525 A CB -0.697 18.418 19.000 0.192 0.000 0.815 525 A HN 0.312 nan 8.150 nan 0.000 0.443 526 T N -1.627 113.045 114.554 0.195 0.000 2.821 526 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 526 T C 1.788 176.661 174.700 0.289 0.000 1.046 526 T CA 1.556 63.787 62.100 0.218 0.000 1.139 526 T CB -0.385 68.630 68.868 0.247 0.000 0.871 526 T HN 0.771 nan 8.240 nan 0.000 0.454 527 H N -0.113 119.052 119.070 0.159 0.000 2.363 527 H HA 0.023 4.579 4.556 -0.000 0.000 0.301 527 H C 2.311 177.709 175.328 0.116 0.000 1.074 527 H CA 0.678 56.803 56.048 0.127 0.000 1.354 527 H CB -0.048 29.780 29.762 0.110 0.000 1.397 527 H HN 0.128 nan 8.280 nan 0.000 0.516 528 L N 0.597 121.934 121.223 0.190 0.000 2.012 528 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 528 L C 2.255 179.205 176.870 0.134 0.000 1.073 528 L CA 1.921 56.816 54.840 0.092 0.000 0.748 528 L CB -1.187 40.934 42.059 0.102 0.000 0.891 528 L HN 0.369 nan 8.230 nan 0.000 0.431 529 Y N -0.726 119.620 120.300 0.076 0.000 2.165 529 Y HA -0.333 4.217 4.550 -0.000 0.000 0.286 529 Y C 2.558 178.487 175.900 0.049 0.000 1.155 529 Y CA 2.157 60.294 58.100 0.061 0.000 1.164 529 Y CB -0.599 37.904 38.460 0.071 0.000 0.978 529 Y HN 0.337 nan 8.280 nan 0.000 0.513 530 C N -1.599 117.819 119.300 0.197 0.000 2.486 530 C HA -0.089 4.371 4.460 -0.000 0.000 0.279 530 C C 2.833 177.825 174.990 0.004 0.000 1.302 530 C CA 0.936 59.995 59.018 0.069 0.000 1.720 530 C CB -1.075 26.747 27.740 0.137 0.000 2.030 530 C HN 0.525 nan 8.230 nan 0.000 0.490 531 V N 0.666 120.620 119.914 0.067 0.000 2.490 531 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 531 V C 2.249 178.316 176.094 -0.044 0.000 1.061 531 V CA 1.648 63.954 62.300 0.010 0.000 1.064 531 V CB -0.407 31.412 31.823 -0.007 0.000 0.670 531 V HN 0.437 nan 8.190 nan 0.000 0.461 532 L N -0.210 120.980 121.223 -0.055 0.000 1.994 532 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 532 L C 2.503 179.331 176.870 -0.070 0.000 1.071 532 L CA 2.404 57.208 54.840 -0.059 0.000 0.745 532 L CB -1.195 40.773 42.059 -0.151 0.000 0.892 532 L HN 0.462 nan 8.230 nan 0.000 0.431 533 Q N -0.620 119.086 119.800 -0.156 0.000 2.124 533 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 533 Q C 2.090 178.049 176.000 -0.069 0.000 0.977 533 Q CA 1.948 57.692 55.803 -0.098 0.000 0.850 533 Q CB -0.229 28.437 28.738 -0.121 0.000 0.901 533 Q HN 0.462 nan 8.270 nan 0.000 0.429 534 A N 0.480 123.245 122.820 -0.092 0.000 1.929 534 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 534 A C 2.042 179.506 177.584 -0.199 0.000 1.176 534 A CA 1.252 53.215 52.037 -0.124 0.000 0.628 534 A CB -0.877 18.056 19.000 -0.112 0.000 0.816 534 A HN 0.670 nan 8.150 nan 0.000 0.444 535 I N -3.097 117.353 120.570 -0.199 0.000 2.546 535 I HA -0.103 4.067 4.170 -0.000 0.000 0.255 535 I C 1.420 177.429 176.117 -0.179 0.000 1.163 535 I CA 1.806 62.902 61.300 -0.340 0.000 1.457 535 I CB -0.267 37.563 38.000 -0.285 0.000 1.092 535 I HN 0.015 nan 8.210 nan 0.000 0.434 536 D N 1.367 121.726 120.400 -0.069 0.000 2.097 536 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 536 D C 2.125 178.235 176.300 -0.317 0.000 0.984 536 D CA 1.265 55.196 54.000 -0.115 0.000 0.826 536 D CB -0.105 40.653 40.800 -0.070 0.000 0.973 536 D HN 0.288 nan 8.370 nan 0.000 0.460 537 L N 0.701 121.763 121.223 -0.269 0.000 2.191 537 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 537 L C 2.303 179.028 176.870 -0.242 0.000 1.103 537 L CA 1.153 55.839 54.840 -0.257 0.000 0.769 537 L CB -0.606 41.359 42.059 -0.156 0.000 0.908 537 L HN -0.071 nan 8.230 nan 0.000 0.438 538 R N -0.807 119.524 120.500 -0.282 0.000 2.100 538 R HA 0.022 4.362 4.340 -0.000 0.000 0.220 538 R C 2.249 178.318 176.300 -0.385 0.000 1.091 538 R CA 1.067 56.945 56.100 -0.370 0.000 0.986 538 R CB -0.175 29.784 30.300 -0.569 0.000 0.888 538 R HN 0.269 nan 8.270 nan 0.000 0.444 539 A N 0.832 123.542 122.820 -0.182 0.000 1.902 539 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 539 A C 2.109 179.680 177.584 -0.022 0.000 1.181 539 A CA 1.469 53.487 52.037 -0.031 0.000 0.623 539 A CB -0.578 18.527 19.000 0.175 0.000 0.818 539 A HN 0.352 nan 8.150 nan 0.000 0.443 540 I N -0.510 119.976 120.570 -0.141 0.000 2.361 540 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 540 I C 2.529 178.669 176.117 0.038 0.000 1.133 540 I CA 1.755 62.994 61.300 -0.103 0.000 1.413 540 I CB -0.333 37.499 38.000 -0.280 0.000 1.073 540 I HN 0.566 nan 8.210 nan 0.000 0.424 541 E N 1.430 121.636 120.200 0.010 0.000 2.072 541 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 541 E C 2.316 179.139 176.600 0.371 0.000 0.985 541 E CA 1.218 57.710 56.400 0.152 0.000 0.801 541 E CB -0.143 29.609 29.700 0.087 0.000 0.750 541 E HN 0.482 nan 8.360 nan 0.000 0.452 542 F N 0.971 120.922 119.950 0.001 0.000 2.134 542 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 542 F C 2.564 178.400 175.800 0.059 0.000 1.097 542 F CA 0.246 58.201 58.000 -0.075 0.000 1.264 542 F CB 0.084 38.778 39.000 -0.511 0.000 1.001 542 F HN 0.057 nan 8.300 nan 0.000 0.479 543 E N 0.228 120.625 120.200 0.329 0.000 2.153 543 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 543 E C 1.826 178.573 176.600 0.245 0.000 0.988 543 E CA 1.095 57.662 56.400 0.279 0.000 0.811 543 E CB -0.640 29.209 29.700 0.247 0.000 0.746 543 E HN 0.455 nan 8.360 nan 0.000 0.466 544 F N 1.894 121.921 119.950 0.128 0.000 2.128 544 F HA -0.087 4.440 4.527 -0.000 0.000 0.295 544 F C 2.126 178.011 175.800 0.141 0.000 1.100 544 F CA 1.184 59.249 58.000 0.109 0.000 1.260 544 F CB 0.094 39.142 39.000 0.081 0.000 1.009 544 F HN -0.173 nan 8.300 nan 0.000 0.476 545 K N 0.626 121.125 120.400 0.166 0.000 2.074 545 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 545 K C 2.067 178.641 176.600 -0.044 0.000 1.048 545 K CA 1.836 58.152 56.287 0.048 0.000 0.926 545 K CB -0.382 32.189 32.500 0.117 0.000 0.713 545 K HN 0.286 nan 8.250 nan 0.000 0.444 546 K N 0.819 121.217 120.400 -0.004 0.000 2.160 546 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 546 K C 2.151 178.723 176.600 -0.048 0.000 1.047 546 K CA 1.582 57.861 56.287 -0.013 0.000 0.930 546 K CB 0.074 32.598 32.500 0.040 0.000 0.720 546 K HN 0.252 nan 8.250 nan 0.000 0.450 547 Q N -1.659 118.087 119.800 -0.090 0.000 2.390 547 Q HA 0.022 4.362 4.340 -0.000 0.000 0.216 547 Q C 1.598 177.507 176.000 -0.151 0.000 0.916 547 Q CA 0.280 56.022 55.803 -0.103 0.000 0.911 547 Q CB 0.116 28.811 28.738 -0.071 0.000 1.035 547 Q HN 0.184 nan 8.270 nan 0.000 0.541 548 F N 1.308 120.959 119.950 -0.499 0.000 2.407 548 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 548 F C 1.883 177.547 175.800 -0.227 0.000 1.097 548 F CA 1.186 58.894 58.000 -0.487 0.000 1.422 548 F CB -0.358 38.093 39.000 -0.916 0.000 1.067 548 F HN 0.032 nan 8.300 nan 0.000 0.539 549 G N 0.805 109.512 108.800 -0.154 0.000 2.459 549 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 549 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 549 G C -0.563 174.235 174.900 -0.171 0.000 1.183 549 G CA 0.924 45.948 45.100 -0.127 0.000 0.776 549 G HN 0.271 nan 8.290 nan 0.000 0.552 550 P HA 0.022 nan 4.420 nan 0.000 0.216 550 P C 2.295 179.490 177.300 -0.175 0.000 1.153 550 P CA 1.857 64.881 63.100 -0.127 0.000 0.848 550 P CB -0.177 31.467 31.700 -0.094 0.000 0.787 551 A N -0.075 122.592 122.820 -0.255 0.000 1.884 551 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 551 A C 2.201 179.578 177.584 -0.345 0.000 1.197 551 A CA 2.040 53.893 52.037 -0.307 0.000 0.637 551 A CB -1.815 16.945 19.000 -0.400 0.000 0.827 551 A HN 0.105 nan 8.150 nan 0.000 0.450 552 I N -0.670 119.585 120.570 -0.524 0.000 2.145 552 I HA -0.290 3.880 4.170 -0.000 0.000 0.244 552 I C 2.382 178.473 176.117 -0.043 0.000 1.075 552 I CA 1.651 62.786 61.300 -0.275 0.000 1.332 552 I CB -0.630 37.243 38.000 -0.212 0.000 1.033 552 I HN 0.194 nan 8.210 nan 0.000 0.410 553 V N 0.134 120.004 119.914 -0.073 0.000 2.261 553 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 553 V C 2.687 178.764 176.094 -0.028 0.000 1.047 553 V CA 2.282 64.565 62.300 -0.030 0.000 1.015 553 V CB -0.533 31.265 31.823 -0.042 0.000 0.642 553 V HN 0.533 nan 8.190 nan 0.000 0.446 554 S N -0.288 115.380 115.700 -0.053 0.000 2.365 554 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 554 S C 1.902 176.496 174.600 -0.010 0.000 1.039 554 S CA 1.907 60.082 58.200 -0.042 0.000 1.033 554 S CB -0.339 62.826 63.200 -0.059 0.000 0.887 554 S HN 0.350 nan 8.310 nan 0.000 0.447 555 L N 1.156 122.392 121.223 0.021 0.000 2.201 555 L HA 0.215 4.555 4.340 -0.000 0.000 0.212 555 L C 2.147 179.109 176.870 0.152 0.000 1.105 555 L CA 1.166 56.097 54.840 0.152 0.000 0.775 555 L CB -0.581 41.556 42.059 0.130 0.000 0.913 555 L HN 0.416 nan 8.230 nan 0.000 0.440 556 I N -0.973 119.623 120.570 0.044 0.000 2.439 556 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 556 I C 1.844 177.878 176.117 -0.138 0.000 1.139 556 I CA 0.891 62.085 61.300 -0.178 0.000 1.438 556 I CB -0.212 37.762 38.000 -0.042 0.000 1.085 556 I HN 0.257 nan 8.210 nan 0.000 0.427 557 D N 0.231 120.598 120.400 -0.054 0.000 2.137 557 D HA -0.197 4.443 4.640 -0.000 0.000 0.202 557 D C 2.030 178.295 176.300 -0.058 0.000 0.970 557 D CA 0.995 54.974 54.000 -0.036 0.000 0.837 557 D CB -0.167 40.617 40.800 -0.027 0.000 0.981 557 D HN 0.369 nan 8.370 nan 0.000 0.475 558 Q N -0.077 119.678 119.800 -0.074 0.000 2.084 558 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 558 Q C 1.833 177.692 176.000 -0.236 0.000 0.978 558 Q CA 1.324 57.043 55.803 -0.140 0.000 0.844 558 Q CB 0.131 28.778 28.738 -0.151 0.000 0.898 558 Q HN 0.456 nan 8.270 nan 0.000 0.426 559 H N -1.892 117.022 119.070 -0.260 0.000 2.465 559 H HA 0.030 4.586 4.556 -0.000 0.000 0.289 559 H C 1.263 176.459 175.328 -0.220 0.000 1.022 559 H CA 1.083 56.916 56.048 -0.358 0.000 1.340 559 H CB 0.304 29.645 29.762 -0.703 0.000 1.437 559 H HN 0.348 nan 8.280 nan 0.000 0.539 560 F N -0.876 119.070 119.950 -0.007 0.000 2.592 560 F HA 0.200 4.727 4.527 -0.000 0.000 0.280 560 F C 2.669 178.433 175.800 -0.061 0.000 1.083 560 F CA 0.089 58.046 58.000 -0.072 0.000 1.365 560 F CB -0.074 38.818 39.000 -0.180 0.000 1.100 560 F HN 0.040 nan 8.300 nan 0.000 0.633 561 G N 0.040 108.906 108.800 0.109 0.000 2.562 561 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.223 561 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.223 561 G C 1.722 176.644 174.900 0.036 0.000 1.102 561 G CA 1.588 46.718 45.100 0.050 0.000 0.742 561 G HN 0.362 nan 8.290 nan 0.000 0.587 562 S N -0.228 115.497 115.700 0.042 0.000 2.474 562 S HA 0.418 4.887 4.470 -0.000 0.000 0.235 562 S C 1.341 175.959 174.600 0.030 0.000 0.997 562 S CA 0.966 59.183 58.200 0.028 0.000 0.949 562 S CB -0.208 63.008 63.200 0.026 0.000 0.766 562 S HN 0.706 nan 8.310 nan 0.000 0.517 566 G N 1.037 109.833 108.800 -0.007 0.000 2.176 566 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.253 566 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.253 566 G C 0.235 175.129 174.900 -0.010 0.000 0.979 566 G CA 0.634 45.730 45.100 -0.008 0.000 0.641 566 G HN 1.536 nan 8.290 nan 0.000 0.530 567 S N -0.938 114.755 115.700 -0.012 0.000 2.739 567 S HA 0.653 5.123 4.470 -0.000 0.000 0.306 567 S C 0.503 175.094 174.600 -0.015 0.000 1.115 567 S CA 0.236 58.427 58.200 -0.015 0.000 0.985 567 S CB 1.596 64.784 63.200 -0.020 0.000 1.133 567 S HN 0.502 nan 8.310 nan 0.000 0.541 568 N N 0.566 119.257 118.700 -0.016 0.000 2.338 568 N HA 0.214 4.954 4.740 -0.000 0.000 0.251 568 N C 0.168 175.667 175.510 -0.018 0.000 1.199 568 N CA -0.122 52.919 53.050 -0.015 0.000 0.879 568 N CB -0.313 38.166 38.487 -0.013 0.000 1.159 568 N HN 0.518 nan 8.380 nan 0.000 0.514 569 L N -2.581 118.628 121.223 -0.023 0.000 2.700 569 L HA 0.503 4.843 4.340 -0.000 0.000 0.234 569 L C 1.883 178.736 176.870 -0.029 0.000 1.156 569 L CA -0.010 54.813 54.840 -0.029 0.000 0.946 569 L CB -0.121 41.914 42.059 -0.040 0.000 1.216 569 L HN 0.011 nan 8.230 nan 0.000 0.493 570 R N 0.734 121.223 120.500 -0.020 0.000 2.073 570 R HA -0.104 4.236 4.340 -0.000 0.000 0.229 570 R C 1.149 177.442 176.300 -0.012 0.000 1.120 570 R CA 1.598 57.690 56.100 -0.014 0.000 0.967 570 R CB 0.082 30.378 30.300 -0.007 0.000 0.862 570 R HN 0.364 nan 8.270 nan 0.000 0.436 571 D N 0.062 120.455 120.400 -0.012 0.000 2.183 571 D HA -0.124 4.516 4.640 -0.000 0.000 0.203 571 D C 1.543 177.837 176.300 -0.010 0.000 0.969 571 D CA 0.813 54.807 54.000 -0.009 0.000 0.842 571 D CB 0.008 40.803 40.800 -0.009 0.000 0.957 571 D HN 0.298 nan 8.370 nan 0.000 0.484 572 E N -0.005 120.187 120.200 -0.014 0.000 2.358 572 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 572 E C 1.732 178.322 176.600 -0.018 0.000 1.010 572 E CA 0.156 56.546 56.400 -0.015 0.000 0.856 572 E CB 0.211 29.899 29.700 -0.019 0.000 0.795 572 E HN 0.184 nan 8.360 nan 0.000 0.504 573 L N 0.478 121.688 121.223 -0.021 0.000 2.130 573 L HA -0.037 4.302 4.340 -0.000 0.000 0.200 573 L C 2.235 179.105 176.870 0.000 0.000 1.075 573 L CA 0.869 55.693 54.840 -0.025 0.000 0.768 573 L CB -0.733 41.297 42.059 -0.048 0.000 0.933 573 L HN -0.004 nan 8.230 nan 0.000 0.451 574 V N 0.590 120.507 119.914 0.006 0.000 2.490 574 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 574 V C 2.569 178.678 176.094 0.024 0.000 1.061 574 V CA 1.917 64.231 62.300 0.024 0.000 1.064 574 V CB -0.498 31.333 31.823 0.013 0.000 0.670 574 V HN 0.509 nan 8.190 nan 0.000 0.461 575 E N 0.156 120.362 120.200 0.010 0.000 2.072 575 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 575 E C 2.180 178.783 176.600 0.004 0.000 0.982 575 E CA 0.891 57.294 56.400 0.006 0.000 0.803 575 E CB 0.029 29.728 29.700 -0.001 0.000 0.755 575 E HN 0.543 nan 8.360 nan 0.000 0.453 576 K N -0.036 120.364 120.400 0.001 0.000 2.366 576 K HA -0.012 4.308 4.320 -0.000 0.000 0.198 576 K C 1.901 178.500 176.600 -0.001 0.000 1.044 576 K CA 0.392 56.674 56.287 -0.008 0.000 0.973 576 K CB 0.463 32.956 32.500 -0.012 0.000 0.767 576 K HN 0.061 nan 8.250 nan 0.000 0.475 577 V N 1.468 121.406 119.914 0.040 0.000 2.379 577 V HA -0.175 3.945 4.120 -0.000 0.000 0.243 577 V C 1.585 177.719 176.094 0.068 0.000 1.035 577 V CA 1.574 63.934 62.300 0.100 0.000 1.035 577 V CB -0.470 31.482 31.823 0.215 0.000 0.673 577 V HN 0.342 nan 8.190 nan 0.000 0.457 578 N N -0.145 118.592 118.700 0.063 0.000 2.223 578 N HA -0.221 4.519 4.740 -0.000 0.000 0.185 578 N C 1.822 177.337 175.510 0.007 0.000 1.016 578 N CA 1.183 54.263 53.050 0.051 0.000 0.863 578 N CB -0.060 38.454 38.487 0.045 0.000 0.983 578 N HN 0.307 nan 8.380 nan 0.000 0.429 579 K N 0.395 120.785 120.400 -0.016 0.000 2.001 579 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 579 K C 2.169 178.707 176.600 -0.103 0.000 1.048 579 K CA 1.712 57.972 56.287 -0.044 0.000 0.932 579 K CB -0.434 32.042 32.500 -0.040 0.000 0.715 579 K HN 0.246 nan 8.250 nan 0.000 0.437 580 T N -0.676 113.781 114.554 -0.162 0.000 2.867 580 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 580 T C 1.767 176.267 174.700 -0.333 0.000 1.057 580 T CA 0.852 62.743 62.100 -0.347 0.000 1.136 580 T CB -0.260 68.299 68.868 -0.516 0.000 0.874 580 T HN 0.027 nan 8.240 nan 0.000 0.466 581 L N 1.810 122.922 121.223 -0.186 0.000 2.017 581 L HA 0.238 4.578 4.340 -0.000 0.000 0.208 581 L C 3.023 179.831 176.870 -0.104 0.000 1.073 581 L CA 1.658 56.410 54.840 -0.146 0.000 0.745 581 L CB -1.403 40.626 42.059 -0.051 0.000 0.894 581 L HN 0.418 nan 8.230 nan 0.000 0.432 582 A N -0.923 121.861 122.820 -0.059 0.000 1.933 582 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 582 A C 2.417 179.963 177.584 -0.063 0.000 1.175 582 A CA 1.876 53.893 52.037 -0.033 0.000 0.628 582 A CB -0.524 18.471 19.000 -0.007 0.000 0.814 582 A HN 0.451 nan 8.150 nan 0.000 0.444 583 K N -0.820 119.523 120.400 -0.094 0.000 2.057 583 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 583 K C 2.248 178.808 176.600 -0.066 0.000 1.049 583 K CA 1.677 57.915 56.287 -0.082 0.000 0.931 583 K CB -0.118 32.313 32.500 -0.115 0.000 0.714 583 K HN 0.278 nan 8.250 nan 0.000 0.440 584 R N 0.456 120.897 120.500 -0.098 0.000 2.066 584 R HA 0.048 4.388 4.340 -0.000 0.000 0.224 584 R C 2.054 178.269 176.300 -0.142 0.000 1.122 584 R CA 0.870 56.945 56.100 -0.042 0.000 0.974 584 R CB -0.726 29.608 30.300 0.055 0.000 0.871 584 R HN 0.168 nan 8.270 nan 0.000 0.435 585 L N 1.712 122.819 121.223 -0.192 0.000 2.189 585 L HA -0.132 4.208 4.340 -0.000 0.000 0.214 585 L C 1.996 178.742 176.870 -0.206 0.000 1.097 585 L CA 1.803 56.481 54.840 -0.269 0.000 0.764 585 L CB -1.047 40.868 42.059 -0.239 0.000 0.900 585 L HN 0.439 nan 8.230 nan 0.000 0.436 586 E N -1.203 118.919 120.200 -0.129 0.000 2.427 586 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 586 E C 1.184 177.727 176.600 -0.096 0.000 1.028 586 E CA 0.336 56.680 56.400 -0.094 0.000 0.864 586 E CB 0.366 30.034 29.700 -0.053 0.000 0.813 586 E HN 0.404 nan 8.360 nan 0.000 0.514 587 Q N -0.775 118.955 119.800 -0.118 0.000 2.179 587 Q HA 0.120 4.460 4.340 -0.000 0.000 0.213 587 Q C 0.166 176.062 176.000 -0.174 0.000 0.833 587 Q CA 0.315 56.056 55.803 -0.102 0.000 0.990 587 Q CB 1.610 30.312 28.738 -0.060 0.000 1.132 587 Q HN 0.055 nan 8.270 nan 0.000 0.493 588 T N 0.757 115.139 114.554 -0.287 0.000 3.145 588 T HA 0.016 4.366 4.350 -0.000 0.000 0.281 588 T C 1.038 175.540 174.700 -0.329 0.000 1.003 588 T CA -0.222 61.555 62.100 -0.538 0.000 0.901 588 T CB 0.087 68.462 68.868 -0.822 0.000 1.112 588 T HN 0.326 nan 8.240 nan 0.000 0.535 589 N N 1.630 120.221 118.700 -0.182 0.000 2.666 589 N HA -0.064 4.676 4.740 -0.000 0.000 0.194 589 N C 1.155 176.644 175.510 -0.035 0.000 1.220 589 N CA 0.602 53.579 53.050 -0.121 0.000 0.928 589 N CB -0.144 38.285 38.487 -0.096 0.000 0.997 589 N HN 0.447 nan 8.380 nan 0.000 0.447 590 S N -2.305 113.427 115.700 0.053 0.000 2.603 590 S HA 0.191 4.661 4.470 -0.000 0.000 0.232 590 S C -0.022 174.700 174.600 0.203 0.000 1.016 590 S CA -0.781 57.488 58.200 0.115 0.000 0.976 590 S CB -0.205 63.065 63.200 0.117 0.000 0.921 590 S HN 0.061 nan 8.310 nan 0.000 0.516 591 Y N 2.834 123.086 120.300 -0.080 0.000 2.314 591 Y HA 0.365 4.915 4.550 -0.000 0.000 0.334 591 Y C 1.427 177.282 175.900 -0.075 0.000 1.266 591 Y CA -1.254 56.801 58.100 -0.074 0.000 1.391 591 Y CB 0.249 38.647 38.460 -0.103 0.000 1.306 591 Y HN 0.031 nan 8.280 nan 0.000 0.558 592 D N 0.121 120.570 120.400 0.083 0.000 2.097 592 D HA -0.106 4.534 4.640 -0.000 0.000 0.195 592 D C 1.469 177.790 176.300 0.036 0.000 0.989 592 D CA 2.198 56.219 54.000 0.036 0.000 0.827 592 D CB 0.251 41.063 40.800 0.021 0.000 0.966 592 D HN 0.531 nan 8.370 nan 0.000 0.456 593 L N -2.519 118.743 121.223 0.065 0.000 1.246 593 L HA -0.126 4.214 4.340 -0.000 0.000 0.049 593 L C 1.390 178.383 176.870 0.205 0.000 1.542 593 L CA 0.419 55.313 54.840 0.089 0.000 1.111 593 L CB -0.766 41.353 42.059 0.100 0.000 2.220 593 L HN -0.111 nan 8.230 nan 0.000 0.434 594 V N 1.506 121.545 119.914 0.207 0.000 2.295 594 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 594 V C -0.753 175.553 176.094 0.353 0.000 1.049 594 V CA 2.664 65.141 62.300 0.294 0.000 1.024 594 V CB -1.453 30.495 31.823 0.210 0.000 0.648 594 V HN 0.374 nan 8.190 nan 0.000 0.447 595 P HA -0.100 nan 4.420 nan 0.000 0.219 595 P C 1.682 179.152 177.300 0.283 0.000 1.150 595 P CA 1.096 64.332 63.100 0.228 0.000 0.814 595 P CB -0.054 31.717 31.700 0.118 0.000 0.787 596 R N -1.152 119.454 120.500 0.177 0.000 2.081 596 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 596 R C 1.864 177.996 176.300 -0.279 0.000 1.131 596 R CA 1.657 57.695 56.100 -0.103 0.000 0.960 596 R CB -0.695 29.416 30.300 -0.315 0.000 0.856 596 R HN 0.188 nan 8.270 nan 0.000 0.436 597 W N -0.586 120.758 121.300 0.074 0.000 2.453 597 W HA -0.024 4.636 4.660 -0.000 0.000 0.289 597 W C 2.100 178.690 176.519 0.118 0.000 1.215 597 W CA 0.842 58.223 57.345 0.061 0.000 1.297 597 W CB -0.136 29.335 29.460 0.018 0.000 1.113 597 W HN 0.286 nan 8.180 nan 0.000 0.551 598 H N -1.048 118.226 119.070 0.339 0.000 2.457 598 H HA -0.146 4.410 4.556 -0.000 0.000 0.294 598 H C 1.557 177.017 175.328 0.220 0.000 1.064 598 H CA 1.998 58.206 56.048 0.266 0.000 1.330 598 H CB -0.171 29.697 29.762 0.177 0.000 1.395 598 H HN 0.093 nan 8.280 nan 0.000 0.541 599 D N -0.037 120.521 120.400 0.263 0.000 2.103 599 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 599 D C 2.285 178.657 176.300 0.121 0.000 0.978 599 D CA 1.134 55.233 54.000 0.165 0.000 0.829 599 D CB -0.099 40.767 40.800 0.109 0.000 0.981 599 D HN 0.317 nan 8.370 nan 0.000 0.464 600 A N -0.413 122.420 122.820 0.022 0.000 1.877 600 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 600 A C 2.064 179.645 177.584 -0.006 0.000 1.186 600 A CA 1.078 53.076 52.037 -0.066 0.000 0.620 600 A CB -1.209 17.615 19.000 -0.293 0.000 0.822 600 A HN 0.380 nan 8.150 nan 0.000 0.443 601 F N -0.116 119.946 119.950 0.186 0.000 2.502 601 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 601 F C 2.769 178.671 175.800 0.170 0.000 1.111 601 F CA 1.017 59.090 58.000 0.122 0.000 1.445 601 F CB 0.054 39.013 39.000 -0.069 0.000 1.081 601 F HN 0.296 nan 8.300 nan 0.000 0.558 602 S N -0.162 115.737 115.700 0.332 0.000 2.406 602 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 602 S C 2.041 176.833 174.600 0.319 0.000 1.020 602 S CA 0.846 59.216 58.200 0.283 0.000 0.965 602 S CB -0.507 62.821 63.200 0.213 0.000 0.798 602 S HN 0.486 nan 8.310 nan 0.000 0.488 603 F N 1.647 121.669 119.950 0.120 0.000 2.128 603 F HA 0.039 4.566 4.527 -0.000 0.000 0.295 603 F C 2.551 178.430 175.800 0.132 0.000 1.100 603 F CA 0.664 58.717 58.000 0.088 0.000 1.260 603 F CB -0.403 38.613 39.000 0.026 0.000 1.009 603 F HN 0.356 nan 8.300 nan 0.000 0.476 604 A N 0.648 123.670 122.820 0.337 0.000 1.917 604 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 604 A C 2.251 180.094 177.584 0.431 0.000 1.182 604 A CA 1.839 54.062 52.037 0.311 0.000 0.633 604 A CB -1.431 17.820 19.000 0.419 0.000 0.819 604 A HN 0.505 nan 8.150 nan 0.000 0.448 605 A N -0.655 122.462 122.820 0.495 0.000 1.978 605 A HA 0.071 4.391 4.320 -0.000 0.000 0.220 605 A C 2.347 180.099 177.584 0.280 0.000 1.170 605 A CA 1.961 54.261 52.037 0.439 0.000 0.636 605 A CB -1.276 17.956 19.000 0.387 0.000 0.810 605 A HN 0.786 nan 8.150 nan 0.000 0.448 606 G N -1.380 107.594 108.800 0.291 0.000 2.422 606 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.218 606 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.218 606 G C 1.536 176.539 174.900 0.172 0.000 1.140 606 G CA 1.540 46.778 45.100 0.229 0.000 0.775 606 G HN 0.433 nan 8.290 nan 0.000 0.545 607 T N 1.063 115.720 114.554 0.171 0.000 2.668 607 T HA -0.121 4.229 4.350 -0.000 0.000 0.262 607 T C 2.575 177.298 174.700 0.039 0.000 1.045 607 T CA 1.319 63.471 62.100 0.086 0.000 1.152 607 T CB -0.412 68.491 68.868 0.059 0.000 0.864 607 T HN 0.040 nan 8.240 nan 0.000 0.419 608 V N 1.578 121.514 119.914 0.037 0.000 2.370 608 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 608 V C 2.602 178.633 176.094 -0.106 0.000 1.068 608 V CA 1.359 63.602 62.300 -0.095 0.000 1.061 608 V CB -0.838 30.896 31.823 -0.149 0.000 0.656 608 V HN 0.323 nan 8.190 nan 0.000 0.455 609 V N -0.485 119.417 119.914 -0.021 0.000 2.913 609 V HA -0.214 3.906 4.120 -0.000 0.000 0.260 609 V C 2.254 178.334 176.094 -0.024 0.000 1.098 609 V CA 2.064 64.352 62.300 -0.021 0.000 1.121 609 V CB -0.304 31.536 31.823 0.029 0.000 0.714 609 V HN 0.671 nan 8.190 nan 0.000 0.487 610 E N -0.176 120.016 120.200 -0.015 0.000 2.065 610 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 610 E C 2.218 178.797 176.600 -0.034 0.000 0.960 610 E CA 1.057 57.450 56.400 -0.012 0.000 0.824 610 E CB 0.130 29.836 29.700 0.010 0.000 0.793 610 E HN 0.289 nan 8.360 nan 0.000 0.459 611 V N 0.709 120.595 119.914 -0.046 0.000 2.626 611 V HA -0.110 4.010 4.120 -0.000 0.000 0.252 611 V C 1.301 177.343 176.094 -0.087 0.000 1.067 611 V CA 1.254 63.519 62.300 -0.059 0.000 1.081 611 V CB -0.022 31.767 31.823 -0.058 0.000 0.686 611 V HN 0.210 nan 8.190 nan 0.000 0.468 612 L N 0.523 121.671 121.223 -0.126 0.000 2.791 612 L HA 0.364 4.704 4.340 -0.000 0.000 0.239 612 L C 2.179 178.978 176.870 -0.117 0.000 1.203 612 L CA 1.358 56.103 54.840 -0.158 0.000 1.002 612 L CB -0.426 41.459 42.059 -0.289 0.000 1.295 612 L HN 0.349 nan 8.230 nan 0.000 0.504 613 S N -0.449 115.205 115.700 -0.078 0.000 2.400 613 S HA -0.179 4.291 4.470 -0.000 0.000 0.232 613 S C 2.204 176.777 174.600 -0.045 0.000 1.025 613 S CA 1.836 60.005 58.200 -0.053 0.000 0.993 613 S CB 0.129 63.309 63.200 -0.033 0.000 0.808 613 S HN 0.665 nan 8.310 nan 0.000 0.478 614 S N -0.500 115.173 115.700 -0.046 0.000 2.446 614 S HA 0.093 4.563 4.470 -0.000 0.000 0.225 614 S C 1.126 175.703 174.600 -0.039 0.000 1.016 614 S CA 0.397 58.576 58.200 -0.035 0.000 0.943 614 S CB -0.897 62.285 63.200 -0.031 0.000 0.786 614 S HN 0.406 nan 8.310 nan 0.000 0.508 615 T N 2.704 117.224 114.554 -0.057 0.000 2.636 615 T HA 0.103 4.453 4.350 -0.000 0.000 0.348 615 T C 1.122 175.795 174.700 -0.045 0.000 1.076 615 T CA 1.035 63.098 62.100 -0.062 0.000 1.064 615 T CB 0.356 69.159 68.868 -0.109 0.000 0.995 615 T HN 0.611 nan 8.240 nan 0.000 0.547 616 S N 0.718 116.397 115.700 -0.034 0.000 2.650 616 S HA 0.311 4.781 4.470 -0.000 0.000 0.240 616 S C 0.369 174.963 174.600 -0.010 0.000 1.007 616 S CA -0.543 57.647 58.200 -0.017 0.000 0.984 616 S CB -0.266 62.930 63.200 -0.006 0.000 0.910 616 S HN 0.508 nan 8.310 nan 0.000 0.509 617 L N 3.409 124.615 121.223 -0.028 0.000 2.485 617 L HA 0.253 4.593 4.340 -0.000 0.000 0.275 617 L C 0.949 177.824 176.870 0.008 0.000 1.207 617 L CA -0.207 54.628 54.840 -0.008 0.000 0.855 617 L CB 0.743 42.763 42.059 -0.066 0.000 1.114 617 L HN 0.490 nan 8.230 nan 0.000 0.485 618 S N 2.883 118.609 115.700 0.044 0.000 2.632 618 S HA 0.309 4.779 4.470 -0.000 0.000 0.271 618 S C 1.133 175.774 174.600 0.068 0.000 1.260 618 S CA -0.892 57.338 58.200 0.050 0.000 1.010 618 S CB 1.115 64.350 63.200 0.059 0.000 0.965 618 S HN 0.579 nan 8.310 nan 0.000 0.534 619 L N 1.409 122.669 121.223 0.062 0.000 2.127 619 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 619 L C 2.952 179.887 176.870 0.108 0.000 1.089 619 L CA 1.649 56.536 54.840 0.078 0.000 0.757 619 L CB -1.074 41.024 42.059 0.065 0.000 0.899 619 L HN 0.942 nan 8.230 nan 0.000 0.434 620 A N -0.161 122.720 122.820 0.101 0.000 2.015 620 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 620 A C 2.526 180.203 177.584 0.156 0.000 1.163 620 A CA 1.406 53.511 52.037 0.114 0.000 0.646 620 A CB -0.410 18.645 19.000 0.091 0.000 0.806 620 A HN 0.396 nan 8.150 nan 0.000 0.448 621 A N -0.365 122.561 122.820 0.176 0.000 1.872 621 A HA 0.031 4.350 4.320 -0.000 0.000 0.214 621 A C 2.128 179.939 177.584 0.378 0.000 1.187 621 A CA 1.680 53.872 52.037 0.259 0.000 0.614 621 A CB -0.893 18.253 19.000 0.243 0.000 0.826 621 A HN 0.425 nan 8.150 nan 0.000 0.442 622 V N 0.932 121.045 119.914 0.332 0.000 2.626 622 V HA -0.209 3.911 4.120 -0.000 0.000 0.252 622 V C 2.283 178.630 176.094 0.422 0.000 1.067 622 V CA 2.166 64.727 62.300 0.433 0.000 1.081 622 V CB -1.200 30.755 31.823 0.220 0.000 0.686 622 V HN 0.741 nan 8.190 nan 0.000 0.468 623 N N 0.684 119.547 118.700 0.271 0.000 2.300 623 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 623 N C 1.725 177.333 175.510 0.163 0.000 1.016 623 N CA 1.229 54.403 53.050 0.207 0.000 0.876 623 N CB -0.177 38.401 38.487 0.152 0.000 0.979 623 N HN 0.375 nan 8.380 nan 0.000 0.432 624 A N -0.524 122.404 122.820 0.180 0.000 1.898 624 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 624 A C 2.053 179.640 177.584 0.003 0.000 1.181 624 A CA 1.233 53.347 52.037 0.129 0.000 0.620 624 A CB -1.291 17.826 19.000 0.195 0.000 0.819 624 A HN 0.664 nan 8.150 nan 0.000 0.442 625 W N 1.082 122.247 121.300 -0.226 0.000 2.379 625 W HA -0.158 4.502 4.660 -0.000 0.000 0.307 625 W C 2.153 178.442 176.519 -0.382 0.000 1.200 625 W CA 2.035 58.979 57.345 -0.668 0.000 1.297 625 W CB -0.179 28.921 29.460 -0.599 0.000 1.140 625 W HN 0.272 nan 8.180 nan 0.000 0.507 626 K N 0.136 120.359 120.400 -0.296 0.000 2.074 626 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 626 K C 1.711 178.038 176.600 -0.455 0.000 1.048 626 K CA 2.337 58.344 56.287 -0.466 0.000 0.926 626 K CB -0.543 31.981 32.500 0.040 0.000 0.713 626 K HN 0.177 nan 8.250 nan 0.000 0.444 627 V N 1.151 120.935 119.914 -0.217 0.000 2.427 627 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 627 V C 2.488 178.428 176.094 -0.256 0.000 1.051 627 V CA 1.857 64.084 62.300 -0.121 0.000 1.048 627 V CB -0.585 31.255 31.823 0.027 0.000 0.666 627 V HN 0.514 nan 8.190 nan 0.000 0.456 628 A N 0.063 122.676 122.820 -0.344 0.000 1.873 628 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 628 A C 2.439 179.725 177.584 -0.496 0.000 1.186 628 A CA 1.916 53.760 52.037 -0.322 0.000 0.616 628 A CB -0.796 18.055 19.000 -0.247 0.000 0.823 628 A HN 0.539 nan 8.150 nan 0.000 0.442 629 A N -0.066 122.204 122.820 -0.916 0.000 1.902 629 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 629 A C 2.507 179.516 177.584 -0.959 0.000 1.181 629 A CA 2.217 53.541 52.037 -1.189 0.000 0.623 629 A CB -1.031 16.581 19.000 -2.314 0.000 0.818 629 A HN 1.051 nan 8.150 nan 0.000 0.443 630 A N -0.528 121.776 122.820 -0.860 0.000 1.898 630 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 630 A C 1.927 179.310 177.584 -0.334 0.000 1.181 630 A CA 1.641 53.434 52.037 -0.408 0.000 0.620 630 A CB -0.413 18.242 19.000 -0.574 0.000 0.819 630 A HN 0.450 nan 8.150 nan 0.000 0.442 631 E N -0.104 119.920 120.200 -0.293 0.000 2.110 631 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 631 E C 2.282 178.802 176.600 -0.133 0.000 0.988 631 E CA 1.252 57.570 56.400 -0.138 0.000 0.804 631 E CB -0.551 29.107 29.700 -0.071 0.000 0.745 631 E HN 0.576 nan 8.360 nan 0.000 0.458 632 S N 0.430 116.031 115.700 -0.165 0.000 2.368 632 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 632 S C 2.049 176.602 174.600 -0.078 0.000 1.029 632 S CA 1.216 59.372 58.200 -0.074 0.000 0.988 632 S CB -0.012 63.163 63.200 -0.042 0.000 0.838 632 S HN 0.284 nan 8.310 nan 0.000 0.462 633 A N 1.177 123.808 122.820 -0.314 0.000 1.929 633 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 633 A C 2.101 179.286 177.584 -0.664 0.000 1.176 633 A CA 1.153 52.629 52.037 -0.934 0.000 0.628 633 A CB -0.626 17.013 19.000 -2.268 0.000 0.816 633 A HN 0.625 nan 8.150 nan 0.000 0.444 634 I N -0.784 119.526 120.570 -0.432 0.000 2.202 634 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 634 I C 2.851 178.938 176.117 -0.049 0.000 1.091 634 I CA 1.443 62.665 61.300 -0.130 0.000 1.368 634 I CB -0.307 37.702 38.000 0.016 0.000 1.058 634 I HN 0.433 nan 8.210 nan 0.000 0.410 635 S N 1.212 116.888 115.700 -0.041 0.000 2.353 635 S HA -0.194 4.276 4.470 -0.000 0.000 0.222 635 S C 2.141 176.768 174.600 0.046 0.000 1.035 635 S CA 1.394 59.602 58.200 0.012 0.000 1.025 635 S CB -0.370 62.835 63.200 0.008 0.000 0.902 635 S HN 0.350 nan 8.310 nan 0.000 0.440 636 L N 0.977 122.237 121.223 0.061 0.000 2.017 636 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 636 L C 3.012 180.019 176.870 0.228 0.000 1.073 636 L CA 1.973 56.907 54.840 0.157 0.000 0.745 636 L CB -0.936 41.241 42.059 0.197 0.000 0.894 636 L HN 0.646 nan 8.230 nan 0.000 0.432 637 T N -2.643 112.001 114.554 0.150 0.000 2.746 637 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 637 T C 1.940 176.673 174.700 0.056 0.000 1.039 637 T CA 0.961 63.063 62.100 0.003 0.000 1.142 637 T CB -0.409 68.314 68.868 -0.240 0.000 0.866 637 T HN 0.312 nan 8.240 nan 0.000 0.444 638 R N 0.857 121.391 120.500 0.058 0.000 2.120 638 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 638 R C 2.736 179.106 176.300 0.117 0.000 1.123 638 R CA 1.528 57.676 56.100 0.080 0.000 0.975 638 R CB -0.438 29.908 30.300 0.077 0.000 0.866 638 R HN 0.606 nan 8.270 nan 0.000 0.446 639 Q N 0.589 120.460 119.800 0.118 0.000 1.994 639 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 639 Q C 2.178 178.266 176.000 0.147 0.000 0.976 639 Q CA 1.353 57.231 55.803 0.125 0.000 0.828 639 Q CB 0.175 28.979 28.738 0.110 0.000 0.894 639 Q HN 0.107 nan 8.270 nan 0.000 0.432 640 V N 0.951 120.963 119.914 0.163 0.000 2.332 640 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 640 V C 2.299 178.498 176.094 0.174 0.000 1.055 640 V CA 2.037 64.441 62.300 0.172 0.000 1.038 640 V CB -0.617 31.334 31.823 0.213 0.000 0.651 640 V HN 0.323 nan 8.190 nan 0.000 0.450 641 R N -0.174 120.428 120.500 0.169 0.000 2.080 641 R HA -0.221 4.119 4.340 -0.000 0.000 0.236 641 R C 2.439 178.967 176.300 0.379 0.000 1.137 641 R CA 1.864 58.105 56.100 0.235 0.000 0.943 641 R CB -0.362 30.070 30.300 0.220 0.000 0.846 641 R HN 0.439 nan 8.270 nan 0.000 0.431 642 E N -0.050 120.335 120.200 0.309 0.000 2.118 642 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 642 E C 1.760 178.510 176.600 0.250 0.000 0.992 642 E CA 1.823 58.407 56.400 0.306 0.000 0.804 642 E CB -0.193 29.634 29.700 0.211 0.000 0.741 642 E HN 0.188 nan 8.360 nan 0.000 0.458 643 T N 0.153 114.823 114.554 0.193 0.000 2.708 643 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 643 T C 1.475 176.246 174.700 0.118 0.000 1.037 643 T CA 1.311 63.495 62.100 0.141 0.000 1.146 643 T CB -0.559 68.385 68.868 0.127 0.000 0.865 643 T HN 0.285 nan 8.240 nan 0.000 0.435 644 F N 0.507 120.437 119.950 -0.033 0.000 2.069 644 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 644 F C 1.730 177.396 175.800 -0.224 0.000 1.113 644 F CA 1.303 59.188 58.000 -0.193 0.000 1.214 644 F CB -0.629 38.139 39.000 -0.387 0.000 0.978 644 F HN 0.238 nan 8.300 nan 0.000 0.474 645 W N 0.173 121.461 121.300 -0.020 0.000 2.525 645 W HA -0.045 4.615 4.660 -0.000 0.000 0.259 645 W C 2.456 178.911 176.519 -0.106 0.000 1.253 645 W CA 0.887 58.158 57.345 -0.123 0.000 1.262 645 W CB -0.472 29.044 29.460 0.094 0.000 1.122 645 W HN -0.066 nan 8.180 nan 0.000 0.607 646 S N -0.291 115.472 115.700 0.105 0.000 2.458 646 S HA 0.132 4.602 4.470 -0.000 0.000 0.223 646 S C 1.945 176.542 174.600 -0.005 0.000 1.019 646 S CA 0.506 58.749 58.200 0.072 0.000 0.937 646 S CB -0.513 62.739 63.200 0.087 0.000 0.788 646 S HN 0.205 nan 8.310 nan 0.000 0.511 647 A N 2.125 124.899 122.820 -0.077 0.000 2.728 647 A HA 0.523 4.843 4.320 -0.000 0.000 0.179 647 A C 0.777 178.310 177.584 -0.085 0.000 1.066 647 A CA 1.023 53.005 52.037 -0.092 0.000 0.950 647 A CB -0.875 18.036 19.000 -0.149 0.000 0.840 647 A HN 1.299 nan 8.150 nan 0.000 0.565 648 A N -4.073 118.670 122.820 -0.129 0.000 2.259 648 A HA 0.475 4.795 4.320 -0.000 0.000 0.276 648 A C 0.723 178.261 177.584 -0.077 0.000 0.938 648 A CA 0.363 52.351 52.037 -0.081 0.000 0.750 648 A CB -0.715 18.264 19.000 -0.035 0.000 0.919 648 A HN 1.160 nan 8.150 nan 0.000 0.346 649 S N 1.030 116.695 115.700 -0.058 0.000 2.425 649 S HA -0.299 4.171 4.470 -0.000 0.000 0.256 649 S C 2.029 176.665 174.600 0.060 0.000 1.101 649 S CA 2.789 60.997 58.200 0.013 0.000 1.188 649 S CB -0.518 62.698 63.200 0.027 0.000 1.085 649 S HN 1.225 nan 8.310 nan 0.000 0.439 650 T N 1.474 116.050 114.554 0.036 0.000 2.822 650 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 650 T C 1.506 176.218 174.700 0.020 0.000 1.064 650 T CA 1.493 63.616 62.100 0.039 0.000 1.131 650 T CB -0.336 68.546 68.868 0.022 0.000 0.858 650 T HN 0.640 nan 8.240 nan 0.000 0.483 651 S N 0.410 116.109 115.700 -0.002 0.000 2.581 651 S HA 0.411 4.881 4.470 -0.000 0.000 0.245 651 S C 0.299 174.889 174.600 -0.018 0.000 1.115 651 S CA -0.723 57.468 58.200 -0.015 0.000 1.093 651 S CB 0.341 63.530 63.200 -0.019 0.000 0.853 651 S HN 0.234 nan 8.310 nan 0.000 0.479 652 S N 3.433 119.136 115.700 0.004 0.000 2.549 652 S HA 0.221 4.691 4.470 -0.000 0.000 0.283 652 S C -1.068 173.565 174.600 0.055 0.000 1.320 652 S CA -1.053 57.176 58.200 0.049 0.000 1.058 652 S CB 0.588 63.880 63.200 0.153 0.000 0.882 652 S HN 0.333 nan 8.310 nan 0.000 0.498 653 P HA 0.014 nan 4.420 nan 0.000 0.231 653 P C 0.881 178.235 177.300 0.090 0.000 1.158 653 P CA 0.748 63.908 63.100 0.101 0.000 0.763 653 P CB -0.136 31.689 31.700 0.207 0.000 0.805 654 A N 0.143 123.012 122.820 0.082 0.000 2.014 654 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 654 A C 2.235 179.745 177.584 -0.123 0.000 1.163 654 A CA 0.702 52.772 52.037 0.054 0.000 0.652 654 A CB -1.295 17.639 19.000 -0.110 0.000 0.808 654 A HN 0.153 nan 8.150 nan 0.000 0.449 655 L N -0.260 120.836 121.223 -0.211 0.000 2.201 655 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 655 L C 2.285 179.025 176.870 -0.218 0.000 1.105 655 L CA 1.145 55.860 54.840 -0.208 0.000 0.775 655 L CB -0.281 41.689 42.059 -0.149 0.000 0.913 655 L HN 0.257 nan 8.230 nan 0.000 0.440 656 S N -1.410 114.088 115.700 -0.336 0.000 2.561 656 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 656 S C 1.106 175.266 174.600 -0.733 0.000 0.977 656 S CA 0.702 58.573 58.200 -0.548 0.000 0.926 656 S CB -0.060 62.705 63.200 -0.725 0.000 0.769 656 S HN 0.422 nan 8.310 nan 0.000 0.533 657 Y N -0.028 120.113 120.300 -0.265 0.000 2.585 657 Y HA 0.428 4.978 4.550 -0.000 0.000 0.272 657 Y C 0.638 176.310 175.900 -0.381 0.000 1.119 657 Y CA -0.899 56.901 58.100 -0.500 0.000 1.255 657 Y CB -0.142 37.622 38.460 -1.161 0.000 1.284 657 Y HN 0.027 nan 8.280 nan 0.000 0.499 658 L N 2.010 123.225 121.223 -0.013 0.000 2.485 658 L HA 0.051 4.391 4.340 -0.000 0.000 0.275 658 L C 0.983 177.895 176.870 0.071 0.000 1.207 658 L CA -0.149 54.781 54.840 0.151 0.000 0.855 658 L CB 0.450 42.566 42.059 0.095 0.000 1.114 658 L HN 0.235 nan 8.230 nan 0.000 0.485 659 S N 2.963 118.732 115.700 0.114 0.000 2.576 659 S HA 0.136 4.606 4.470 -0.000 0.000 0.272 659 S C -1.749 172.878 174.600 0.044 0.000 1.352 659 S CA -1.047 57.197 58.200 0.073 0.000 1.021 659 S CB 0.924 64.179 63.200 0.091 0.000 0.887 659 S HN 0.438 nan 8.310 nan 0.000 0.542 660 P HA -0.111 nan 4.420 nan 0.000 0.216 660 P C 1.599 178.915 177.300 0.027 0.000 1.150 660 P CA 1.173 64.283 63.100 0.017 0.000 0.843 660 P CB 0.091 31.796 31.700 0.009 0.000 0.787 661 R N -0.759 119.758 120.500 0.028 0.000 2.055 661 R HA -0.026 4.314 4.340 -0.000 0.000 0.228 661 R C 2.321 178.645 176.300 0.040 0.000 1.143 661 R CA 2.174 58.289 56.100 0.025 0.000 0.945 661 R CB -2.245 28.062 30.300 0.013 0.000 0.841 661 R HN 0.304 nan 8.270 nan 0.000 0.429 662 T N -0.697 113.887 114.554 0.049 0.000 2.977 662 T HA -0.184 4.166 4.350 -0.000 0.000 0.271 662 T C 1.881 176.647 174.700 0.110 0.000 1.105 662 T CA 1.181 63.323 62.100 0.070 0.000 1.116 662 T CB -0.097 68.816 68.868 0.074 0.000 0.878 662 T HN 0.257 nan 8.240 nan 0.000 0.509 663 Q N 0.427 120.282 119.800 0.091 0.000 2.167 663 Q HA 0.008 4.348 4.340 -0.000 0.000 0.202 663 Q C 2.146 178.237 176.000 0.153 0.000 0.970 663 Q CA 1.094 56.957 55.803 0.100 0.000 0.855 663 Q CB -0.370 28.393 28.738 0.043 0.000 0.911 663 Q HN 0.666 nan 8.270 nan 0.000 0.438 664 I N 0.141 120.779 120.570 0.114 0.000 2.127 664 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 664 I C 2.181 178.400 176.117 0.169 0.000 1.075 664 I CA 0.753 62.122 61.300 0.116 0.000 1.334 664 I CB -0.301 37.735 38.000 0.060 0.000 1.040 664 I HN 0.302 nan 8.210 nan 0.000 0.405 665 L N 0.061 121.375 121.223 0.152 0.000 2.083 665 L HA -0.263 4.077 4.340 -0.000 0.000 0.209 665 L C 2.428 179.437 176.870 0.232 0.000 1.083 665 L CA 1.793 56.743 54.840 0.184 0.000 0.752 665 L CB -0.935 41.193 42.059 0.116 0.000 0.899 665 L HN 0.233 nan 8.230 nan 0.000 0.433 666 Y N -0.058 120.304 120.300 0.103 0.000 2.097 666 Y HA -0.307 4.243 4.550 -0.000 0.000 0.282 666 Y C 2.413 178.366 175.900 0.088 0.000 1.152 666 Y CA 2.253 60.404 58.100 0.084 0.000 1.136 666 Y CB -0.459 38.046 38.460 0.075 0.000 0.975 666 Y HN 0.229 nan 8.280 nan 0.000 0.498 667 A N -0.206 122.816 122.820 0.337 0.000 1.902 667 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 667 A C 2.160 179.827 177.584 0.138 0.000 1.181 667 A CA 1.627 53.800 52.037 0.228 0.000 0.623 667 A CB -1.550 17.579 19.000 0.215 0.000 0.818 667 A HN 0.676 nan 8.150 nan 0.000 0.443 668 F N 0.629 120.604 119.950 0.041 0.000 2.171 668 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 668 F C 2.099 177.896 175.800 -0.005 0.000 1.090 668 F CA 1.886 59.898 58.000 0.019 0.000 1.293 668 F CB -0.164 38.849 39.000 0.022 0.000 1.013 668 F HN 0.034 nan 8.300 nan 0.000 0.486 669 V N 0.768 120.595 119.914 -0.144 0.000 2.331 669 V HA -0.146 3.974 4.120 -0.000 0.000 0.242 669 V C 2.556 178.506 176.094 -0.240 0.000 1.034 669 V CA 1.606 63.759 62.300 -0.246 0.000 1.027 669 V CB -0.594 31.168 31.823 -0.101 0.000 0.667 669 V HN 0.175 nan 8.190 nan 0.000 0.457 670 R N 0.046 120.399 120.500 -0.245 0.000 2.115 670 R HA -0.070 4.270 4.340 -0.000 0.000 0.230 670 R C 2.084 178.314 176.300 -0.116 0.000 1.111 670 R CA 1.088 57.060 56.100 -0.213 0.000 0.976 670 R CB -0.203 29.897 30.300 -0.334 0.000 0.870 670 R HN 0.542 nan 8.270 nan 0.000 0.445 671 E N 0.262 120.405 120.200 -0.095 0.000 2.121 671 E HA 0.005 4.354 4.350 -0.000 0.000 0.194 671 E C 1.931 178.470 176.600 -0.101 0.000 0.940 671 E CA 0.431 56.797 56.400 -0.057 0.000 0.884 671 E CB -0.344 29.357 29.700 0.002 0.000 0.874 671 E HN 0.243 nan 8.360 nan 0.000 0.471 672 E N 0.862 120.967 120.200 -0.159 0.000 2.058 672 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 672 E C 2.073 178.508 176.600 -0.276 0.000 0.997 672 E CA 0.912 57.186 56.400 -0.211 0.000 0.801 672 E CB 0.002 29.547 29.700 -0.258 0.000 0.746 672 E HN 0.090 nan 8.360 nan 0.000 0.450 673 L N -1.245 119.738 121.223 -0.400 0.000 2.446 673 L HA 0.161 4.501 4.340 -0.000 0.000 0.219 673 L C 1.487 178.274 176.870 -0.138 0.000 1.116 673 L CA 0.410 55.085 54.840 -0.275 0.000 0.844 673 L CB 0.032 41.897 42.059 -0.324 0.000 0.970 673 L HN 0.347 nan 8.230 nan 0.000 0.457 674 G N 0.663 109.388 108.800 -0.125 0.000 2.143 674 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 674 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 674 G C 0.209 175.092 174.900 -0.029 0.000 0.991 674 G CA 0.135 45.198 45.100 -0.061 0.000 0.689 674 G HN 0.139 nan 8.290 nan 0.000 0.522 675 V N 2.242 122.133 119.914 -0.037 0.000 2.372 675 V HA 0.360 4.480 4.120 -0.000 0.000 0.261 675 V C 0.625 176.720 176.094 0.001 0.000 1.055 675 V CA -0.586 61.729 62.300 0.025 0.000 0.930 675 V CB 1.035 32.901 31.823 0.073 0.000 1.031 675 V HN 0.248 nan 8.190 nan 0.000 0.479 676 K N 3.055 123.485 120.400 0.049 0.000 2.098 676 K HA 0.710 5.030 4.320 -0.000 0.000 0.244 676 K C 0.407 177.077 176.600 0.117 0.000 1.014 676 K CA -0.396 55.930 56.287 0.064 0.000 0.917 676 K CB 1.343 33.909 32.500 0.111 0.000 1.072 676 K HN 0.633 nan 8.250 nan 0.000 0.477 677 A N 1.219 124.144 122.820 0.176 0.000 2.406 677 A HA 0.140 4.460 4.320 -0.000 0.000 0.243 677 A C 0.128 177.969 177.584 0.429 0.000 1.082 677 A CA 0.017 52.214 52.037 0.267 0.000 0.786 677 A CB 0.185 19.382 19.000 0.329 0.000 1.029 677 A HN 0.614 nan 8.150 nan 0.000 0.495 678 R N 0.776 121.476 120.500 0.334 0.000 2.295 678 R HA 0.314 4.654 4.340 -0.000 0.000 0.324 678 R C 0.923 177.230 176.300 0.013 0.000 0.968 678 R CA -0.603 55.566 56.100 0.116 0.000 0.837 678 R CB 0.802 31.031 30.300 -0.118 0.000 1.133 678 R HN 0.930 nan 8.270 nan 0.000 0.450 679 R N 2.233 122.541 120.500 -0.320 0.000 2.075 679 R HA 0.090 4.430 4.340 -0.000 0.000 0.226 679 R C -0.113 176.012 176.300 -0.291 0.000 1.114 679 R CA 1.202 56.940 56.100 -0.603 0.000 0.972 679 R CB 0.285 29.880 30.300 -1.174 0.000 0.869 679 R HN 0.864 nan 8.270 nan 0.000 0.437 680 G N 0.219 108.901 108.800 -0.197 0.000 2.542 680 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.391 680 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.391 680 G C -0.929 173.943 174.900 -0.046 0.000 1.551 680 G CA -0.524 44.509 45.100 -0.112 0.000 0.946 680 G HN 0.063 nan 8.290 nan 0.000 0.662 681 D N 0.624 120.995 120.400 -0.048 0.000 2.117 681 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 681 D C 2.728 179.011 176.300 -0.029 0.000 0.987 681 D CA 1.597 55.577 54.000 -0.034 0.000 0.829 681 D CB 0.151 40.938 40.800 -0.022 0.000 0.961 681 D HN 0.304 nan 8.370 nan 0.000 0.460 682 V N 0.509 120.413 119.914 -0.016 0.000 2.515 682 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 682 V C 2.034 178.130 176.094 0.003 0.000 1.058 682 V CA 1.022 63.315 62.300 -0.012 0.000 1.064 682 V CB -0.435 31.380 31.823 -0.013 0.000 0.675 682 V HN 0.107 nan 8.190 nan 0.000 0.461 683 F N 0.378 120.262 119.950 -0.109 0.000 2.163 683 F HA -0.051 4.476 4.527 -0.000 0.000 0.297 683 F C 1.917 177.648 175.800 -0.115 0.000 1.094 683 F CA 1.535 59.467 58.000 -0.113 0.000 1.290 683 F CB -0.104 38.810 39.000 -0.144 0.000 1.017 683 F HN 0.019 nan 8.300 nan 0.000 0.483 684 L N -0.177 120.948 121.223 -0.164 0.000 2.465 684 L HA 0.110 4.450 4.340 -0.000 0.000 0.224 684 L C 1.981 178.727 176.870 -0.206 0.000 1.145 684 L CA 0.824 55.524 54.840 -0.234 0.000 0.834 684 L CB -1.239 40.750 42.059 -0.117 0.000 0.944 684 L HN 0.461 nan 8.230 nan 0.000 0.451 685 G N 0.601 109.305 108.800 -0.160 0.000 2.168 685 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 685 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 685 G C 0.241 175.092 174.900 -0.082 0.000 0.977 685 G CA 0.333 45.361 45.100 -0.120 0.000 0.659 685 G HN 0.411 nan 8.290 nan 0.000 0.533 686 K N -0.180 120.176 120.400 -0.073 0.000 2.468 686 K HA 0.358 4.678 4.320 -0.000 0.000 0.252 686 K C -0.415 176.163 176.600 -0.037 0.000 0.932 686 K CA -0.733 55.524 56.287 -0.050 0.000 0.794 686 K CB 1.740 34.209 32.500 -0.051 0.000 1.241 686 K HN 0.238 nan 8.250 nan 0.000 0.428 687 Q N 2.689 122.474 119.800 -0.024 0.000 2.369 687 Q HA 0.085 4.425 4.340 -0.000 0.000 0.247 687 Q C -0.330 175.664 176.000 -0.009 0.000 1.083 687 Q CA 0.046 55.841 55.803 -0.014 0.000 0.905 687 Q CB 0.654 29.388 28.738 -0.007 0.000 1.305 687 Q HN 0.406 nan 8.270 nan 0.000 0.465 688 E N 0.934 121.130 120.200 -0.008 0.000 2.620 688 E HA 0.167 4.517 4.350 -0.000 0.000 0.255 688 E C -0.109 176.499 176.600 0.013 0.000 1.346 688 E CA -0.664 55.737 56.400 0.002 0.000 1.013 688 E CB 0.636 30.338 29.700 0.003 0.000 1.131 688 E HN 0.208 nan 8.360 nan 0.000 0.608 689 V N 2.114 122.041 119.914 0.021 0.000 2.557 689 V HA -0.065 4.055 4.120 -0.000 0.000 0.301 689 V C 0.841 176.956 176.094 0.034 0.000 1.026 689 V CA 0.324 62.640 62.300 0.027 0.000 1.137 689 V CB 0.094 31.936 31.823 0.032 0.000 0.917 689 V HN 0.797 nan 8.190 nan 0.000 0.484 690 T N 3.265 117.835 114.554 0.026 0.000 2.856 690 T HA 0.112 4.462 4.350 -0.000 0.000 0.329 690 T C 1.274 175.988 174.700 0.025 0.000 1.094 690 T CA -0.078 62.037 62.100 0.026 0.000 1.112 690 T CB 0.334 69.209 68.868 0.012 0.000 1.009 690 T HN 0.389 nan 8.240 nan 0.000 0.550 691 I N 1.713 122.295 120.570 0.020 0.000 2.286 691 I HA -0.045 4.125 4.170 -0.000 0.000 0.248 691 I C 2.872 178.895 176.117 -0.156 0.000 1.115 691 I CA 1.568 62.838 61.300 -0.050 0.000 1.392 691 I CB -1.064 36.916 38.000 -0.033 0.000 1.065 691 I HN 0.952 nan 8.210 nan 0.000 0.418 692 G N 0.294 109.041 108.800 -0.089 0.000 2.440 692 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.218 692 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.218 692 G C 1.754 176.621 174.900 -0.054 0.000 1.154 692 G CA 1.046 46.098 45.100 -0.081 0.000 0.767 692 G HN 0.382 nan 8.290 nan 0.000 0.552 693 S N 0.976 116.663 115.700 -0.022 0.000 2.368 693 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 693 S C 2.261 176.871 174.600 0.016 0.000 1.030 693 S CA 1.112 59.315 58.200 0.005 0.000 0.999 693 S CB -0.257 62.954 63.200 0.017 0.000 0.844 693 S HN 0.423 nan 8.310 nan 0.000 0.459 694 N N 1.088 119.795 118.700 0.012 0.000 2.171 694 N HA -0.002 4.738 4.740 -0.000 0.000 0.184 694 N C 1.791 177.324 175.510 0.038 0.000 1.021 694 N CA 0.872 53.957 53.050 0.058 0.000 0.854 694 N CB -0.465 38.119 38.487 0.161 0.000 0.994 694 N HN 0.191 nan 8.380 nan 0.000 0.426 695 V N 1.505 121.364 119.914 -0.092 0.000 2.392 695 V HA -0.188 3.932 4.120 -0.000 0.000 0.249 695 V C 2.192 178.315 176.094 0.048 0.000 1.059 695 V CA 1.487 63.747 62.300 -0.066 0.000 1.051 695 V CB -0.545 31.175 31.823 -0.171 0.000 0.658 695 V HN 0.273 nan 8.190 nan 0.000 0.455 696 S N -0.524 115.198 115.700 0.037 0.000 2.383 696 S HA -0.192 4.277 4.470 -0.000 0.000 0.227 696 S C 1.939 176.637 174.600 0.162 0.000 1.026 696 S CA 1.295 59.561 58.200 0.109 0.000 0.981 696 S CB -0.251 62.986 63.200 0.062 0.000 0.818 696 S HN 0.606 nan 8.310 nan 0.000 0.472 697 K N 0.875 121.335 120.400 0.101 0.000 2.147 697 K HA 0.055 4.374 4.320 -0.000 0.000 0.205 697 K C 1.851 178.506 176.600 0.091 0.000 1.049 697 K CA 1.014 57.349 56.287 0.080 0.000 0.936 697 K CB -0.263 32.265 32.500 0.046 0.000 0.722 697 K HN 0.366 nan 8.250 nan 0.000 0.446 698 I N -0.114 120.529 120.570 0.121 0.000 2.353 698 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 698 I C 2.310 178.529 176.117 0.169 0.000 1.119 698 I CA 0.873 62.257 61.300 0.140 0.000 1.417 698 I CB -0.225 37.873 38.000 0.164 0.000 1.078 698 I HN 0.137 nan 8.210 nan 0.000 0.421 699 Y N 2.322 122.649 120.300 0.045 0.000 2.114 699 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 699 Y C 2.354 178.274 175.900 0.035 0.000 1.143 699 Y CA 1.648 59.764 58.100 0.027 0.000 1.135 699 Y CB -0.342 38.117 38.460 -0.001 0.000 0.980 699 Y HN 0.144 nan 8.280 nan 0.000 0.499 700 E N 0.149 120.330 120.200 -0.032 0.000 2.204 700 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 700 E C 2.219 178.769 176.600 -0.083 0.000 0.990 700 E CA 0.818 57.136 56.400 -0.137 0.000 0.821 700 E CB -0.266 29.446 29.700 0.020 0.000 0.750 700 E HN 0.610 nan 8.360 nan 0.000 0.477 701 A N 0.896 123.720 122.820 0.008 0.000 2.016 701 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 701 A C 2.086 179.701 177.584 0.050 0.000 1.162 701 A CA 0.601 52.691 52.037 0.088 0.000 0.662 701 A CB -0.237 18.885 19.000 0.203 0.000 0.812 701 A HN 0.108 nan 8.150 nan 0.000 0.450 702 I N -0.740 119.820 120.570 -0.015 0.000 2.333 702 I HA -0.148 4.022 4.170 -0.000 0.000 0.246 702 I C 2.153 178.207 176.117 -0.105 0.000 1.106 702 I CA 0.852 62.128 61.300 -0.040 0.000 1.411 702 I CB -0.163 37.823 38.000 -0.024 0.000 1.082 702 I HN 0.098 nan 8.210 nan 0.000 0.420 703 K N 0.911 121.168 120.400 -0.239 0.000 2.097 703 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 703 K C 2.207 178.742 176.600 -0.107 0.000 1.050 703 K CA 1.740 57.889 56.287 -0.230 0.000 0.938 703 K CB -0.685 31.562 32.500 -0.421 0.000 0.718 703 K HN 0.381 nan 8.250 nan 0.000 0.442 704 S N -0.516 115.136 115.700 -0.081 0.000 2.515 704 S HA 0.032 4.502 4.470 -0.000 0.000 0.231 704 S C 1.484 176.089 174.600 0.009 0.000 0.987 704 S CA 1.021 59.207 58.200 -0.023 0.000 0.936 704 S CB -0.156 63.041 63.200 -0.004 0.000 0.766 704 S HN 0.438 nan 8.310 nan 0.000 0.528 705 G N 1.494 110.299 108.800 0.009 0.000 2.176 705 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.253 705 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.253 705 G C 0.940 175.848 174.900 0.012 0.000 0.979 705 G CA 0.314 45.430 45.100 0.026 0.000 0.641 705 G HN 0.498 nan 8.290 nan 0.000 0.530 706 R N -0.321 120.199 120.500 0.034 0.000 2.127 706 R HA 0.094 4.434 4.340 -0.000 0.000 0.238 706 R C 2.469 178.719 176.300 -0.085 0.000 1.134 706 R CA 1.513 57.644 56.100 0.051 0.000 0.975 706 R CB -0.231 30.185 30.300 0.194 0.000 0.865 706 R HN 0.587 nan 8.270 nan 0.000 0.447 707 I N 1.114 121.628 120.570 -0.094 0.000 2.928 707 I HA -0.201 3.969 4.170 -0.000 0.000 0.266 707 I C 0.984 176.961 176.117 -0.234 0.000 1.234 707 I CA 0.915 62.054 61.300 -0.269 0.000 1.483 707 I CB -0.062 37.891 38.000 -0.079 0.000 1.097 707 I HN 0.273 nan 8.210 nan 0.000 0.455 708 N N 0.859 119.479 118.700 -0.134 0.000 2.043 708 N HA -0.251 4.489 4.740 -0.000 0.000 0.193 708 N C 1.442 176.880 175.510 -0.120 0.000 1.037 708 N CA 1.797 54.784 53.050 -0.105 0.000 0.851 708 N CB -0.389 38.066 38.487 -0.053 0.000 1.027 708 N HN 0.431 nan 8.380 nan 0.000 0.422 709 N N 0.273 118.900 118.700 -0.122 0.000 2.205 709 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 709 N C 1.865 177.284 175.510 -0.151 0.000 1.015 709 N CA 0.631 53.615 53.050 -0.111 0.000 0.862 709 N CB 0.104 38.541 38.487 -0.085 0.000 0.986 709 N HN 0.095 nan 8.380 nan 0.000 0.429 710 V N 0.407 120.165 119.914 -0.260 0.000 2.649 710 V HA -0.018 4.102 4.120 -0.000 0.000 0.248 710 V C 1.726 177.717 176.094 -0.172 0.000 1.054 710 V CA 1.013 63.153 62.300 -0.266 0.000 1.073 710 V CB -0.203 31.306 31.823 -0.523 0.000 0.699 710 V HN 0.232 nan 8.190 nan 0.000 0.463 711 L N -0.576 120.549 121.223 -0.164 0.000 2.093 711 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 711 L C 2.475 179.298 176.870 -0.079 0.000 1.085 711 L CA 1.713 56.491 54.840 -0.103 0.000 0.755 711 L CB -0.476 41.528 42.059 -0.091 0.000 0.904 711 L HN 0.418 nan 8.230 nan 0.000 0.435 712 L N -0.167 121.007 121.223 -0.082 0.000 2.056 712 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 712 L C 1.619 178.458 176.870 -0.053 0.000 1.078 712 L CA 1.490 56.292 54.840 -0.063 0.000 0.749 712 L CB -0.364 41.659 42.059 -0.060 0.000 0.901 712 L HN 0.038 nan 8.230 nan 0.000 0.433 716 A N 0.000 122.802 122.820 -0.031 0.000 2.254 716 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 716 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 716 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 716 A HN 0.000 nan 8.150 nan 0.000 0.486