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 2v7p_1_C DATA FIRST_RESID 22 DATA SEQUENCE MKVGIVGSGM VGSATAYALA LLGVAREVVL VDLDRKLAQA HAEDILHATP DATA SEQUENCE FAHPVWVRAX XGSYGDLEGA RAVVLAAGVA QRXPGETRLQ LLDRNAQVFA DATA SEQUENCE QVVPRVLEAA EAVLLVATNP VDVMTQVAYR LSGLPPGRVV GSGTILDTAR DATA SEQUENCE FRALLAEYLR VAPQSVHAYV LGEHGDSEVL VWSSAQVPLE FAEARGRALS DATA SEQUENCE PEDRARIDEG VRRAAYRIIE GKGATYYGIG AGLARLVRAI LTDEKGVYTV DATA SEQUENCE SAFTPEVEGV LEXVSLSLPR ILGAGGVEXG TVYPSLSPEE REALRRSAEI DATA SEQUENCE LKEAAFALGF 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 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.317 176.300 0.029 0.000 1.140 22 M CA 0.000 55.313 55.300 0.022 0.000 0.988 22 M CB 0.000 32.604 32.600 0.007 0.000 1.302 23 K N 1.081 121.495 120.400 0.024 0.000 2.324 23 K HA 0.817 5.158 4.320 0.034 0.000 0.253 23 K C -2.098 174.509 176.600 0.012 0.000 0.932 23 K CA -0.628 55.676 56.287 0.028 0.000 0.799 23 K CB 2.523 35.042 32.500 0.032 0.000 1.154 23 K HN 0.595 nan 8.250 nan 0.000 0.425 24 V N 2.372 122.292 119.914 0.009 0.000 2.604 24 V HA 0.616 4.756 4.120 0.034 0.000 0.305 24 V C 0.157 176.247 176.094 -0.007 0.000 1.043 24 V CA -0.765 61.533 62.300 -0.004 0.000 0.888 24 V CB 1.812 33.629 31.823 -0.010 0.000 0.995 24 V HN 0.941 nan 8.190 nan 0.000 0.429 25 G N 3.567 112.357 108.800 -0.018 0.000 2.400 25 G HA2 0.774 4.755 3.960 0.034 0.000 0.333 25 G HA3 0.774 4.755 3.960 0.034 0.000 0.333 25 G C -1.079 173.797 174.900 -0.041 0.000 1.143 25 G CA -0.514 44.567 45.100 -0.032 0.000 0.914 25 G HN 0.599 nan 8.290 nan 0.000 0.480 26 I N 1.671 122.208 120.570 -0.055 0.000 2.439 26 I HA 0.209 4.400 4.170 0.034 0.000 0.285 26 I C -0.578 175.487 176.117 -0.087 0.000 1.021 26 I CA -0.825 60.441 61.300 -0.056 0.000 1.091 26 I CB 2.395 40.369 38.000 -0.044 0.000 1.242 26 I HN 0.065 nan 8.210 nan 0.000 0.439 27 V N 5.455 125.316 119.914 -0.087 0.000 2.333 27 V HA 0.740 4.881 4.120 0.034 0.000 0.274 27 V C 0.535 176.595 176.094 -0.057 0.000 1.028 27 V CA -0.350 61.879 62.300 -0.118 0.000 0.851 27 V CB 0.803 32.558 31.823 -0.112 0.000 1.000 27 V HN 1.041 nan 8.190 nan 0.000 0.456 28 G N 3.378 112.143 108.800 -0.058 0.000 2.798 28 G HA2 -0.131 3.850 3.960 0.034 0.000 0.658 28 G HA3 -0.131 3.850 3.960 0.034 0.000 0.658 28 G C -0.037 174.841 174.900 -0.036 0.000 1.148 28 G CA -0.115 44.973 45.100 -0.019 0.000 1.200 28 G HN 0.761 nan 8.290 nan 0.000 0.519 29 S N 1.030 116.714 115.700 -0.027 0.000 2.704 29 S HA 0.550 5.040 4.470 0.034 0.000 0.241 29 S C 1.526 176.113 174.600 -0.022 0.000 1.264 29 S CA 0.821 59.003 58.200 -0.029 0.000 1.236 29 S CB -0.609 62.613 63.200 0.037 0.000 0.928 29 S HN 1.448 nan 8.310 nan 0.000 0.492 30 G N 1.514 110.278 108.800 -0.060 0.000 2.582 30 G HA2 0.273 4.254 3.960 0.034 0.000 0.232 30 G HA3 0.273 4.254 3.960 0.034 0.000 0.232 30 G C 1.094 175.873 174.900 -0.202 0.000 1.458 30 G CA -0.285 44.776 45.100 -0.065 0.000 1.062 30 G HN 0.357 nan 8.290 nan 0.000 0.566 31 M N -0.729 118.743 119.600 -0.214 0.000 2.132 31 M HA -0.031 4.470 4.480 0.034 0.000 0.263 31 M C 2.712 178.846 176.300 -0.277 0.000 1.065 31 M CA 0.813 55.862 55.300 -0.417 0.000 1.122 31 M CB -1.345 30.919 32.600 -0.560 0.000 1.365 31 M HN 0.201 nan 8.290 nan 0.000 0.411 32 V N 0.065 119.918 119.914 -0.101 0.000 2.307 32 V HA -0.140 4.001 4.120 0.034 0.000 0.245 32 V C 2.621 178.686 176.094 -0.049 0.000 1.045 32 V CA 2.010 64.300 62.300 -0.016 0.000 1.024 32 V CB -1.671 30.163 31.823 0.018 0.000 0.651 32 V HN 0.541 nan 8.190 nan 0.000 0.449 33 G N 0.286 109.038 108.800 -0.080 0.000 2.418 33 G HA2 -0.283 3.697 3.960 0.034 0.000 0.217 33 G HA3 -0.283 3.697 3.960 0.034 0.000 0.217 33 G C 1.892 176.711 174.900 -0.134 0.000 1.158 33 G CA 1.457 46.506 45.100 -0.085 0.000 0.771 33 G HN 0.636 nan 8.290 nan 0.000 0.545 34 S N 1.027 116.560 115.700 -0.278 0.000 2.387 34 S HA 0.229 4.720 4.470 0.034 0.000 0.226 34 S C 2.574 177.079 174.600 -0.158 0.000 1.026 34 S CA 1.367 59.337 58.200 -0.383 0.000 0.972 34 S CB -0.380 62.192 63.200 -1.047 0.000 0.814 34 S HN 0.556 nan 8.310 nan 0.000 0.477 35 A N 1.519 124.278 122.820 -0.102 0.000 1.968 35 A HA 0.052 4.392 4.320 0.034 0.000 0.217 35 A C 2.342 180.023 177.584 0.162 0.000 1.169 35 A CA 1.770 53.872 52.037 0.107 0.000 0.638 35 A CB -1.423 17.679 19.000 0.171 0.000 0.812 35 A HN 0.557 nan 8.150 nan 0.000 0.446 36 T N 0.292 114.888 114.554 0.069 0.000 2.737 36 T HA -0.001 4.369 4.350 0.034 0.000 0.265 36 T C 2.295 177.030 174.700 0.058 0.000 1.038 36 T CA 1.528 63.662 62.100 0.056 0.000 1.144 36 T CB -0.471 68.406 68.868 0.014 0.000 0.866 36 T HN 0.580 nan 8.240 nan 0.000 0.434 37 A N 0.696 123.542 122.820 0.043 0.000 1.917 37 A HA -0.167 4.173 4.320 0.034 0.000 0.219 37 A C 2.112 179.773 177.584 0.129 0.000 1.182 37 A CA 1.792 53.863 52.037 0.057 0.000 0.633 37 A CB -1.106 17.913 19.000 0.031 0.000 0.819 37 A HN 0.570 nan 8.150 nan 0.000 0.448 38 Y N 0.577 120.885 120.300 0.014 0.000 2.181 38 Y HA -0.114 4.457 4.550 0.034 0.000 0.288 38 Y C 2.688 178.621 175.900 0.055 0.000 1.146 38 Y CA 1.077 59.205 58.100 0.047 0.000 1.164 38 Y CB -0.696 37.811 38.460 0.078 0.000 0.982 38 Y HN 0.314 nan 8.280 nan 0.000 0.515 39 A N -0.014 122.859 122.820 0.088 0.000 1.898 39 A HA -0.135 4.205 4.320 0.034 0.000 0.216 39 A C 2.351 179.907 177.584 -0.047 0.000 1.181 39 A CA 1.672 53.694 52.037 -0.025 0.000 0.620 39 A CB -1.119 17.907 19.000 0.043 0.000 0.819 39 A HN 0.521 nan 8.150 nan 0.000 0.442 40 L N -0.768 120.449 121.223 -0.011 0.000 2.042 40 L HA -0.226 4.135 4.340 0.034 0.000 0.210 40 L C 3.095 179.943 176.870 -0.037 0.000 1.076 40 L CA 1.175 55.999 54.840 -0.027 0.000 0.749 40 L CB -0.527 41.525 42.059 -0.012 0.000 0.893 40 L HN 0.452 nan 8.230 nan 0.000 0.432 41 A N -0.119 122.691 122.820 -0.018 0.000 1.898 41 A HA -0.119 4.221 4.320 0.034 0.000 0.216 41 A C 2.229 179.813 177.584 0.001 0.000 1.181 41 A CA 1.225 53.260 52.037 -0.003 0.000 0.620 41 A CB -0.598 18.426 19.000 0.040 0.000 0.819 41 A HN 0.345 nan 8.150 nan 0.000 0.442 42 L N -0.786 120.378 121.223 -0.099 0.000 2.141 42 L HA -0.067 4.294 4.340 0.034 0.000 0.209 42 L C 2.112 179.029 176.870 0.077 0.000 1.094 42 L CA 0.801 55.596 54.840 -0.075 0.000 0.763 42 L CB -0.354 41.529 42.059 -0.292 0.000 0.908 42 L HN 0.346 nan 8.230 nan 0.000 0.437 43 L N -0.491 120.724 121.223 -0.014 0.000 2.558 43 L HA 0.137 4.497 4.340 0.034 0.000 0.225 43 L C 1.336 178.047 176.870 -0.265 0.000 1.128 43 L CA 0.412 55.220 54.840 -0.053 0.000 0.868 43 L CB -0.407 41.613 42.059 -0.066 0.000 1.006 43 L HN 0.452 nan 8.230 nan 0.000 0.454 44 G N 0.042 108.682 108.800 -0.267 0.000 2.221 44 G HA2 -0.257 3.724 3.960 0.034 0.000 0.265 44 G HA3 -0.257 3.724 3.960 0.034 0.000 0.265 44 G C 0.739 175.454 174.900 -0.308 0.000 1.041 44 G CA 0.393 45.190 45.100 -0.504 0.000 0.807 44 G HN 0.152 nan 8.290 nan 0.000 0.502 45 V N -0.701 119.107 119.914 -0.177 0.000 2.427 45 V HA 0.303 4.444 4.120 0.034 0.000 0.248 45 V C 1.827 177.866 176.094 -0.091 0.000 1.051 45 V CA 2.587 64.815 62.300 -0.120 0.000 1.048 45 V CB -0.386 31.388 31.823 -0.082 0.000 0.666 45 V HN 1.520 nan 8.190 nan 0.000 0.456 46 A N -1.124 121.651 122.820 -0.075 0.000 2.515 46 A HA 0.708 5.049 4.320 0.034 0.000 0.296 46 A C 0.602 178.158 177.584 -0.046 0.000 1.094 46 A CA -0.553 51.456 52.037 -0.047 0.000 0.718 46 A CB 1.452 20.439 19.000 -0.022 0.000 1.307 46 A HN 0.007 nan 8.150 nan 0.000 0.408 47 R N 0.184 120.670 120.500 -0.022 0.000 2.153 47 R HA 0.100 4.460 4.340 0.034 0.000 0.218 47 R C 0.313 176.629 176.300 0.028 0.000 1.072 47 R CA 1.879 57.963 56.100 -0.027 0.000 0.990 47 R CB 0.112 30.426 30.300 0.024 0.000 0.889 47 R HN 0.760 nan 8.270 nan 0.000 0.452 48 E N -0.619 119.629 120.200 0.080 0.000 2.292 48 E HA 0.399 4.770 4.350 0.034 0.000 0.272 48 E C -1.677 174.971 176.600 0.079 0.000 0.881 48 E CA -0.857 55.629 56.400 0.144 0.000 0.754 48 E CB 2.021 31.836 29.700 0.191 0.000 1.201 48 E HN -0.088 nan 8.360 nan 0.000 0.425 49 V N 4.041 124.004 119.914 0.083 0.000 2.577 49 V HA 0.389 4.529 4.120 0.034 0.000 0.303 49 V C -0.709 175.411 176.094 0.043 0.000 1.042 49 V CA -0.791 61.536 62.300 0.046 0.000 0.872 49 V CB 1.865 33.708 31.823 0.034 0.000 0.998 49 V HN 0.505 nan 8.190 nan 0.000 0.423 50 V N 6.301 126.224 119.914 0.016 0.000 2.409 50 V HA 0.495 4.635 4.120 0.034 0.000 0.291 50 V C -0.288 175.788 176.094 -0.030 0.000 1.020 50 V CA -0.509 61.790 62.300 -0.003 0.000 0.848 50 V CB 1.683 33.497 31.823 -0.014 0.000 0.990 50 V HN 0.649 nan 8.190 nan 0.000 0.430 51 L N 5.527 126.733 121.223 -0.029 0.000 2.275 51 L HA 0.607 4.968 4.340 0.034 0.000 0.288 51 L C -0.489 176.332 176.870 -0.083 0.000 1.046 51 L CA -0.449 54.363 54.840 -0.047 0.000 0.805 51 L CB 1.714 43.764 42.059 -0.015 0.000 1.193 51 L HN 0.373 nan 8.230 nan 0.000 0.426 52 V N 2.689 122.522 119.914 -0.136 0.000 2.448 52 V HA 0.534 4.675 4.120 0.034 0.000 0.295 52 V C -0.656 175.332 176.094 -0.177 0.000 1.025 52 V CA -0.505 61.663 62.300 -0.219 0.000 0.859 52 V CB 1.881 33.443 31.823 -0.434 0.000 0.988 52 V HN 0.699 nan 8.190 nan 0.000 0.431 53 D N 2.731 123.057 120.400 -0.124 0.000 2.837 53 D HA 0.338 4.998 4.640 0.034 0.000 0.220 53 D C 0.752 177.039 176.300 -0.022 0.000 1.236 53 D CA -0.585 53.380 54.000 -0.058 0.000 0.838 53 D CB 2.592 43.380 40.800 -0.019 0.000 1.647 53 D HN 0.305 nan 8.370 nan 0.000 0.486 54 L N 0.711 121.943 121.223 0.016 0.000 2.051 54 L HA -0.163 4.198 4.340 0.034 0.000 0.214 54 L C 1.064 177.947 176.870 0.021 0.000 1.076 54 L CA 1.277 56.139 54.840 0.038 0.000 0.758 54 L CB -0.140 41.949 42.059 0.049 0.000 0.890 54 L HN 0.405 nan 8.230 nan 0.000 0.433 55 D N -0.249 120.159 120.400 0.013 0.000 2.402 55 D HA 0.005 4.665 4.640 0.034 0.000 0.235 55 D C 1.134 177.432 176.300 -0.004 0.000 1.226 55 D CA -0.022 53.981 54.000 0.004 0.000 0.918 55 D CB 1.077 41.879 40.800 0.002 0.000 1.043 55 D HN -0.080 nan 8.370 nan 0.000 0.506 56 R N 3.744 124.241 120.500 -0.005 0.000 2.092 56 R HA -0.064 4.296 4.340 0.034 0.000 0.231 56 R C 1.554 177.844 176.300 -0.016 0.000 1.119 56 R CA 1.568 57.662 56.100 -0.010 0.000 0.970 56 R CB -0.022 30.275 30.300 -0.006 0.000 0.864 56 R HN 0.272 nan 8.270 nan 0.000 0.440 57 K N -0.192 120.196 120.400 -0.020 0.000 2.147 57 K HA -0.140 4.201 4.320 0.034 0.000 0.205 57 K C 1.844 178.412 176.600 -0.053 0.000 1.049 57 K CA 1.347 57.614 56.287 -0.032 0.000 0.936 57 K CB -0.281 32.200 32.500 -0.032 0.000 0.722 57 K HN 0.107 nan 8.250 nan 0.000 0.446 58 L N 0.942 122.136 121.223 -0.048 0.000 1.994 58 L HA -0.130 4.231 4.340 0.034 0.000 0.208 58 L C 2.172 179.022 176.870 -0.034 0.000 1.071 58 L CA 1.973 56.770 54.840 -0.072 0.000 0.745 58 L CB -0.826 41.219 42.059 -0.023 0.000 0.892 58 L HN 0.110 nan 8.230 nan 0.000 0.431 59 A N -0.939 121.890 122.820 0.015 0.000 1.883 59 A HA -0.319 4.022 4.320 0.034 0.000 0.217 59 A C 2.292 179.888 177.584 0.020 0.000 1.186 59 A CA 1.969 54.030 52.037 0.040 0.000 0.624 59 A CB -0.886 18.115 19.000 0.002 0.000 0.822 59 A HN 0.616 nan 8.150 nan 0.000 0.444 60 Q N -0.224 119.569 119.800 -0.012 0.000 2.135 60 Q HA -0.100 4.260 4.340 0.034 0.000 0.204 60 Q C 1.997 177.973 176.000 -0.041 0.000 0.981 60 Q CA 2.318 58.109 55.803 -0.020 0.000 0.856 60 Q CB -0.561 28.164 28.738 -0.021 0.000 0.902 60 Q HN 0.592 nan 8.270 nan 0.000 0.425 61 A N -1.171 121.601 122.820 -0.081 0.000 1.897 61 A HA -0.145 4.196 4.320 0.034 0.000 0.215 61 A C 1.782 179.287 177.584 -0.132 0.000 1.181 61 A CA 1.496 53.454 52.037 -0.132 0.000 0.620 61 A CB -0.804 18.073 19.000 -0.205 0.000 0.821 61 A HN 0.629 nan 8.150 nan 0.000 0.443 62 H N -0.745 118.284 119.070 -0.067 0.000 2.389 62 H HA 0.041 4.616 4.556 0.033 0.000 0.299 62 H C 2.464 177.750 175.328 -0.069 0.000 1.081 62 H CA 1.037 57.040 56.048 -0.074 0.000 1.345 62 H CB 0.068 29.789 29.762 -0.069 0.000 1.393 62 H HN 0.544 nan 8.280 nan 0.000 0.520 63 A N 0.982 123.841 122.820 0.064 0.000 1.898 63 A HA -0.187 4.154 4.320 0.034 0.000 0.216 63 A C 2.081 179.634 177.584 -0.052 0.000 1.181 63 A CA 1.637 53.687 52.037 0.021 0.000 0.620 63 A CB -0.281 18.731 19.000 0.020 0.000 0.819 63 A HN 0.455 nan 8.150 nan 0.000 0.442 64 E N -0.561 119.569 120.200 -0.116 0.000 2.051 64 E HA -0.233 4.137 4.350 0.034 0.000 0.192 64 E C 1.736 177.972 176.600 -0.607 0.000 0.991 64 E CA 1.233 57.440 56.400 -0.322 0.000 0.799 64 E CB -0.214 29.349 29.700 -0.229 0.000 0.748 64 E HN 0.596 nan 8.360 nan 0.000 0.449 65 D N 0.637 120.861 120.400 -0.294 0.000 2.144 65 D HA -0.126 4.534 4.640 0.034 0.000 0.199 65 D C 1.800 178.058 176.300 -0.071 0.000 0.984 65 D CA 0.930 54.824 54.000 -0.177 0.000 0.834 65 D CB -0.019 40.754 40.800 -0.045 0.000 0.955 65 D HN 0.136 nan 8.370 nan 0.000 0.465 66 I N -0.211 120.352 120.570 -0.012 0.000 2.406 66 I HA -0.137 4.053 4.170 0.034 0.000 0.249 66 I C 2.247 178.424 176.117 0.101 0.000 1.122 66 I CA 0.130 61.500 61.300 0.118 0.000 1.431 66 I CB -0.091 37.998 38.000 0.149 0.000 1.087 66 I HN 0.066 nan 8.210 nan 0.000 0.424 67 L N 0.890 122.121 121.223 0.014 0.000 2.081 67 L HA -0.287 4.074 4.340 0.034 0.000 0.212 67 L C 2.366 179.328 176.870 0.153 0.000 1.080 67 L CA 2.159 57.037 54.840 0.064 0.000 0.754 67 L CB -0.891 41.205 42.059 0.061 0.000 0.893 67 L HN 0.306 nan 8.230 nan 0.000 0.433 68 H N -1.421 117.701 119.070 0.088 0.000 2.524 68 H HA 0.061 4.638 4.556 0.035 0.000 0.282 68 H C 2.068 177.465 175.328 0.114 0.000 1.016 68 H CA 0.378 56.469 56.048 0.072 0.000 1.270 68 H CB 0.061 29.880 29.762 0.096 0.000 1.394 68 H HN 0.550 nan 8.280 nan 0.000 0.568 69 A N 0.847 123.853 122.820 0.311 0.000 2.067 69 A HA -0.136 4.204 4.320 0.034 0.000 0.217 69 A C 2.506 180.220 177.584 0.217 0.000 1.156 69 A CA 1.356 53.629 52.037 0.394 0.000 0.683 69 A CB -0.710 18.539 19.000 0.415 0.000 0.808 69 A HN 0.524 nan 8.150 nan 0.000 0.455 70 T N -1.889 112.714 114.554 0.081 0.000 2.833 70 T HA -0.056 4.315 4.350 0.034 0.000 0.269 70 T C -0.387 174.248 174.700 -0.108 0.000 1.054 70 T CA 1.312 63.407 62.100 -0.007 0.000 1.135 70 T CB -1.490 67.352 68.868 -0.043 0.000 0.869 70 T HN 0.352 nan 8.240 nan 0.000 0.466 71 P HA 0.053 nan 4.420 nan 0.000 0.225 71 P C 0.632 177.723 177.300 -0.349 0.000 1.148 71 P CA 0.673 63.568 63.100 -0.343 0.000 0.779 71 P CB -0.334 31.074 31.700 -0.486 0.000 0.780 72 F N -1.555 118.370 119.950 -0.041 0.000 2.743 72 F HA 0.258 4.805 4.527 0.034 0.000 0.297 72 F C 1.920 177.645 175.800 -0.124 0.000 1.131 72 F CA 0.421 58.385 58.000 -0.060 0.000 1.426 72 F CB -0.621 38.364 39.000 -0.025 0.000 1.116 72 F HN -0.059 nan 8.300 nan 0.000 0.583 73 A N -1.752 121.052 122.820 -0.026 0.000 1.936 73 A HA 0.394 4.735 4.320 0.034 0.000 0.197 73 A C -0.105 177.195 177.584 -0.474 0.000 2.189 73 A CA -0.083 51.810 52.037 -0.239 0.000 1.491 73 A CB 0.439 19.380 19.000 -0.099 0.000 1.021 73 A HN 0.131 nan 8.150 nan 0.000 0.537 74 H N -0.489 118.546 119.070 -0.059 0.000 2.821 74 H HA 0.444 5.021 4.556 0.034 0.000 0.373 74 H C -2.879 172.363 175.328 -0.144 0.000 1.165 74 H CA -1.971 54.022 56.048 -0.092 0.000 1.154 74 H CB 1.428 31.139 29.762 -0.085 0.000 1.765 74 H HN 0.193 nan 8.280 nan 0.000 0.549 75 P HA 0.119 nan 4.420 nan 0.000 0.271 75 P C -0.723 176.398 177.300 -0.298 0.000 1.233 75 P CA -0.121 62.825 63.100 -0.257 0.000 0.764 75 P CB 0.554 32.076 31.700 -0.297 0.000 0.825 76 V N 4.207 123.906 119.914 -0.358 0.000 2.655 76 V HA 0.238 4.379 4.120 0.034 0.000 0.301 76 V C -0.873 175.060 176.094 -0.268 0.000 1.082 76 V CA -0.642 61.496 62.300 -0.270 0.000 0.899 76 V CB 1.736 33.507 31.823 -0.087 0.000 1.014 76 V HN 0.502 nan 8.190 nan 0.000 0.429 77 W N 4.272 125.583 121.300 0.017 0.000 2.581 77 W HA 0.499 5.179 4.660 0.033 0.000 0.359 77 W C -0.040 176.486 176.519 0.011 0.000 1.167 77 W CA -0.603 56.750 57.345 0.014 0.000 1.517 77 W CB 0.742 30.207 29.460 0.007 0.000 1.519 77 W HN 0.340 nan 8.180 nan 0.000 0.431 78 V N 5.374 125.415 119.914 0.211 0.000 2.407 78 V HA 0.568 4.708 4.120 0.034 0.000 0.278 78 V C 0.317 176.483 176.094 0.121 0.000 1.037 78 V CA -0.870 61.508 62.300 0.129 0.000 0.900 78 V CB 0.799 32.674 31.823 0.087 0.000 0.983 78 V HN 0.605 nan 8.190 nan 0.000 0.459 79 R N 3.779 124.329 120.500 0.083 0.000 2.752 79 R HA 0.912 5.272 4.340 0.034 0.000 0.271 79 R C -0.751 175.562 176.300 0.022 0.000 1.026 79 R CA -0.702 55.428 56.100 0.051 0.000 0.901 79 R CB 1.902 32.230 30.300 0.046 0.000 1.243 79 R HN 0.628 nan 8.270 nan 0.000 0.463 84 S N -1.209 114.466 115.700 -0.041 0.000 2.681 84 S HA 0.452 4.942 4.470 0.034 0.000 0.270 84 S C 1.040 175.612 174.600 -0.048 0.000 1.209 84 S CA -0.311 57.875 58.200 -0.024 0.000 0.988 84 S CB 0.878 64.105 63.200 0.045 0.000 1.006 84 S HN 0.540 nan 8.310 nan 0.000 0.558 85 Y N 0.988 121.278 120.300 -0.017 0.000 2.193 85 Y HA -0.034 4.533 4.550 0.028 0.000 0.285 85 Y C 2.735 178.622 175.900 -0.021 0.000 1.166 85 Y CA 1.849 59.934 58.100 -0.023 0.000 1.181 85 Y CB -1.041 37.402 38.460 -0.028 0.000 0.976 85 Y HN 0.891 nan 8.280 nan 0.000 0.520 86 G N -0.562 108.321 108.800 0.139 0.000 2.462 86 G HA2 -0.221 3.759 3.960 0.034 0.000 0.220 86 G HA3 -0.221 3.759 3.960 0.034 0.000 0.220 86 G C 1.178 176.100 174.900 0.036 0.000 1.121 86 G CA 1.234 46.376 45.100 0.070 0.000 0.758 86 G HN 0.337 nan 8.290 nan 0.000 0.559 87 D N 0.132 120.543 120.400 0.018 0.000 2.363 87 D HA 0.064 4.724 4.640 0.034 0.000 0.226 87 D C 2.176 178.473 176.300 -0.005 0.000 1.020 87 D CA 0.075 54.073 54.000 -0.002 0.000 0.892 87 D CB 0.314 41.105 40.800 -0.016 0.000 0.900 87 D HN 0.329 nan 8.370 nan 0.000 0.531 88 L N 0.883 122.108 121.223 0.004 0.000 2.492 88 L HA 0.012 4.373 4.340 0.034 0.000 0.223 88 L C 1.344 178.220 176.870 0.010 0.000 1.132 88 L CA 0.061 54.902 54.840 0.002 0.000 0.850 88 L CB -0.557 41.511 42.059 0.015 0.000 0.966 88 L HN -0.048 nan 8.230 nan 0.000 0.454 89 E N 0.903 121.111 120.200 0.013 0.000 2.652 89 E HA 0.257 4.627 4.350 0.034 0.000 0.255 89 E C 1.327 177.931 176.600 0.007 0.000 0.952 89 E CA 0.556 56.962 56.400 0.010 0.000 0.947 89 E CB -0.517 29.188 29.700 0.008 0.000 0.912 89 E HN 0.513 nan 8.360 nan 0.000 0.489 90 G N 0.566 109.370 108.800 0.006 0.000 2.176 90 G HA2 0.124 4.104 3.960 0.034 0.000 0.253 90 G HA3 0.124 4.104 3.960 0.034 0.000 0.253 90 G C 0.735 175.640 174.900 0.007 0.000 0.979 90 G CA 0.551 45.655 45.100 0.007 0.000 0.641 90 G HN 2.084 nan 8.290 nan 0.000 0.530 91 A N -0.195 122.628 122.820 0.005 0.000 2.488 91 A HA 0.695 5.036 4.320 0.034 0.000 0.249 91 A C 1.289 178.873 177.584 0.001 0.000 1.083 91 A CA 1.232 53.271 52.037 0.003 0.000 0.768 91 A CB 0.427 19.426 19.000 -0.002 0.000 1.017 91 A HN 0.542 nan 8.150 nan 0.000 0.496 92 R N 1.384 121.884 120.500 -0.001 0.000 2.119 92 R HA 0.266 4.626 4.340 0.034 0.000 0.222 92 R C 0.444 176.740 176.300 -0.007 0.000 1.088 92 R CA 1.618 57.716 56.100 -0.003 0.000 0.984 92 R CB -0.070 30.228 30.300 -0.003 0.000 0.884 92 R HN 0.936 nan 8.270 nan 0.000 0.447 93 A N -0.783 122.030 122.820 -0.011 0.000 2.515 93 A HA 0.651 4.992 4.320 0.034 0.000 0.298 93 A C -1.599 175.974 177.584 -0.018 0.000 1.059 93 A CA -0.714 51.313 52.037 -0.016 0.000 0.698 93 A CB 2.101 21.088 19.000 -0.023 0.000 1.289 93 A HN -0.042 nan 8.150 nan 0.000 0.404 94 V N 1.940 121.842 119.914 -0.021 0.000 2.483 94 V HA 0.408 4.549 4.120 0.034 0.000 0.297 94 V C -0.360 175.716 176.094 -0.030 0.000 1.027 94 V CA -0.611 61.673 62.300 -0.028 0.000 0.855 94 V CB 1.571 33.377 31.823 -0.028 0.000 0.995 94 V HN 0.690 nan 8.190 nan 0.000 0.424 95 V N 6.453 126.349 119.914 -0.030 0.000 2.432 95 V HA 0.346 4.487 4.120 0.034 0.000 0.271 95 V C 0.090 176.172 176.094 -0.020 0.000 1.046 95 V CA -0.342 61.945 62.300 -0.021 0.000 0.945 95 V CB 1.232 33.043 31.823 -0.020 0.000 0.992 95 V HN 0.636 nan 8.190 nan 0.000 0.471 96 L N 5.013 126.237 121.223 0.002 0.000 2.288 96 L HA 0.573 4.934 4.340 0.034 0.000 0.283 96 L C 0.731 177.672 176.870 0.118 0.000 1.072 96 L CA -0.141 54.708 54.840 0.014 0.000 0.862 96 L CB 0.845 42.856 42.059 -0.079 0.000 1.245 96 L HN 0.747 nan 8.230 nan 0.000 0.432 97 A N 2.678 125.544 122.820 0.077 0.000 2.749 97 A HA 0.703 5.044 4.320 0.034 0.000 0.299 97 A C 0.480 178.115 177.584 0.085 0.000 1.105 97 A CA -0.201 51.883 52.037 0.079 0.000 0.987 97 A CB 0.300 19.314 19.000 0.025 0.000 1.180 97 A HN 0.610 nan 8.150 nan 0.000 0.528 98 A N -0.272 122.635 122.820 0.145 0.000 2.312 98 A HA 0.895 5.236 4.320 0.034 0.000 0.328 98 A C 0.568 178.253 177.584 0.167 0.000 1.158 98 A CA 0.076 52.191 52.037 0.130 0.000 0.821 98 A CB 0.694 19.767 19.000 0.121 0.000 1.170 98 A HN 2.137 nan 8.150 nan 0.000 0.490 99 G N -1.127 107.738 108.800 0.108 0.000 2.423 99 G HA2 0.342 4.323 3.960 0.034 0.000 0.684 99 G HA3 0.342 4.323 3.960 0.034 0.000 0.684 99 G C -0.562 174.367 174.900 0.049 0.000 1.309 99 G CA -0.271 44.879 45.100 0.084 0.000 0.950 99 G HN 1.975 nan 8.290 nan 0.000 0.587 100 V N 0.609 120.543 119.914 0.034 0.000 2.775 100 V HA 0.697 4.838 4.120 0.034 0.000 0.299 100 V C 1.099 177.205 176.094 0.019 0.000 1.062 100 V CA 0.947 63.262 62.300 0.025 0.000 1.063 100 V CB 0.940 32.777 31.823 0.023 0.000 0.994 100 V HN 2.370 nan 8.190 nan 0.000 0.483 101 A N 4.980 127.812 122.820 0.021 0.000 2.261 101 A HA 0.639 4.980 4.320 0.034 0.000 0.323 101 A C -0.221 177.376 177.584 0.021 0.000 1.107 101 A CA -0.756 51.293 52.037 0.020 0.000 0.883 101 A CB 0.626 19.642 19.000 0.026 0.000 1.251 101 A HN 0.877 nan 8.150 nan 0.000 0.502 102 Q N 0.360 120.171 119.800 0.018 0.000 2.364 102 Q HA 0.240 4.600 4.340 0.034 0.000 0.267 102 Q C -0.037 175.986 176.000 0.038 0.000 0.999 102 Q CA 0.410 56.230 55.803 0.028 0.000 0.886 102 Q CB 0.641 29.392 28.738 0.022 0.000 1.243 102 Q HN 0.573 nan 8.270 nan 0.000 0.415 106 G N 0.887 109.744 108.800 0.094 0.000 2.184 106 G HA2 -0.268 3.712 3.960 0.034 0.000 0.264 106 G HA3 -0.268 3.712 3.960 0.034 0.000 0.264 106 G C 0.208 175.138 174.900 0.051 0.000 0.975 106 G CA 0.598 45.717 45.100 0.030 0.000 0.642 106 G HN 0.862 nan 8.290 nan 0.000 0.536 107 E N 1.526 121.791 120.200 0.108 0.000 2.283 107 E HA 0.525 4.896 4.350 0.034 0.000 0.278 107 E C 1.064 177.773 176.600 0.182 0.000 1.027 107 E CA 0.124 56.585 56.400 0.100 0.000 0.843 107 E CB 0.554 30.296 29.700 0.071 0.000 1.062 107 E HN 0.382 nan 8.360 nan 0.000 0.401 108 T N 1.461 116.098 114.554 0.139 0.000 2.899 108 T HA 0.263 4.634 4.350 0.034 0.000 0.284 108 T C 1.044 175.794 174.700 0.082 0.000 1.004 108 T CA -0.541 61.662 62.100 0.172 0.000 1.043 108 T CB 1.341 70.278 68.868 0.115 0.000 1.013 108 T HN 0.569 nan 8.240 nan 0.000 0.518 109 R N 0.196 120.720 120.500 0.040 0.000 2.096 109 R HA 0.043 4.404 4.340 0.034 0.000 0.235 109 R C 2.271 178.576 176.300 0.008 0.000 1.127 109 R CA 1.235 57.332 56.100 -0.005 0.000 0.968 109 R CB -0.645 29.624 30.300 -0.052 0.000 0.861 109 R HN 0.630 nan 8.270 nan 0.000 0.440 110 L N 0.745 121.979 121.223 0.019 0.000 2.353 110 L HA -0.176 4.185 4.340 0.034 0.000 0.220 110 L C 1.965 178.847 176.870 0.021 0.000 1.133 110 L CA 1.109 55.961 54.840 0.020 0.000 0.798 110 L CB -0.306 41.769 42.059 0.027 0.000 0.922 110 L HN 0.277 nan 8.230 nan 0.000 0.445 111 Q N -0.148 119.667 119.800 0.025 0.000 2.472 111 Q HA -0.028 4.333 4.340 0.034 0.000 0.208 111 Q C 1.862 177.873 176.000 0.018 0.000 0.958 111 Q CA 0.622 56.440 55.803 0.024 0.000 0.932 111 Q CB 0.166 28.922 28.738 0.029 0.000 1.007 111 Q HN 0.599 nan 8.270 nan 0.000 0.508 112 L N -0.135 121.094 121.223 0.011 0.000 2.567 112 L HA -0.008 4.353 4.340 0.034 0.000 0.225 112 L C 1.890 178.754 176.870 -0.009 0.000 1.119 112 L CA -0.196 54.645 54.840 0.001 0.000 0.871 112 L CB -0.227 41.828 42.059 -0.007 0.000 1.036 112 L HN 0.219 nan 8.230 nan 0.000 0.459 113 L N 0.632 121.853 121.223 -0.003 0.000 1.990 113 L HA -0.235 4.126 4.340 0.034 0.000 0.213 113 L C 2.040 178.913 176.870 0.006 0.000 1.072 113 L CA 2.028 56.864 54.840 -0.006 0.000 0.755 113 L CB -0.719 41.351 42.059 0.018 0.000 0.889 113 L HN 0.210 nan 8.230 nan 0.000 0.432 114 D N -0.707 119.706 120.400 0.022 0.000 2.144 114 D HA -0.151 4.509 4.640 0.034 0.000 0.200 114 D C 2.305 178.624 176.300 0.032 0.000 0.978 114 D CA 1.092 55.113 54.000 0.035 0.000 0.833 114 D CB 0.009 40.828 40.800 0.031 0.000 0.961 114 D HN 0.406 nan 8.370 nan 0.000 0.470 115 R N 0.407 120.920 120.500 0.021 0.000 2.075 115 R HA -0.037 4.324 4.340 0.034 0.000 0.232 115 R C 1.812 178.125 176.300 0.022 0.000 1.126 115 R CA 0.840 56.954 56.100 0.024 0.000 0.963 115 R CB 0.014 30.326 30.300 0.020 0.000 0.858 115 R HN 0.084 nan 8.270 nan 0.000 0.435 116 N N 0.253 118.944 118.700 -0.014 0.000 2.376 116 N HA -0.003 4.758 4.740 0.034 0.000 0.177 116 N C 1.434 176.892 175.510 -0.087 0.000 1.024 116 N CA 0.973 53.988 53.050 -0.058 0.000 0.893 116 N CB -0.039 38.362 38.487 -0.144 0.000 0.980 116 N HN 0.168 nan 8.380 nan 0.000 0.439 117 A N 0.889 123.679 122.820 -0.050 0.000 1.978 117 A HA -0.206 4.135 4.320 0.034 0.000 0.220 117 A C 2.156 179.810 177.584 0.117 0.000 1.170 117 A CA 1.455 53.503 52.037 0.018 0.000 0.636 117 A CB -0.533 18.541 19.000 0.124 0.000 0.810 117 A HN 0.368 nan 8.150 nan 0.000 0.448 118 Q N -0.428 119.433 119.800 0.102 0.000 2.123 118 Q HA -0.080 4.280 4.340 0.034 0.000 0.199 118 Q C 1.904 177.978 176.000 0.123 0.000 0.966 118 Q CA 1.509 57.377 55.803 0.107 0.000 0.845 118 Q CB -0.161 28.622 28.738 0.075 0.000 0.907 118 Q HN 0.392 nan 8.270 nan 0.000 0.439 119 V N 0.570 120.567 119.914 0.137 0.000 2.287 119 V HA -0.252 3.888 4.120 0.034 0.000 0.248 119 V C 1.989 178.250 176.094 0.277 0.000 1.053 119 V CA 1.706 64.118 62.300 0.187 0.000 1.027 119 V CB -0.653 31.294 31.823 0.208 0.000 0.646 119 V HN 0.377 nan 8.190 nan 0.000 0.447 120 F N 0.689 120.644 119.950 0.009 0.000 2.293 120 F HA 0.004 4.550 4.527 0.032 0.000 0.300 120 F C 2.362 178.151 175.800 -0.018 0.000 1.086 120 F CA 0.566 58.558 58.000 -0.013 0.000 1.375 120 F CB -1.112 37.855 39.000 -0.054 0.000 1.045 120 F HN 0.096 nan 8.300 nan 0.000 0.516 121 A N -0.518 122.410 122.820 0.180 0.000 1.978 121 A HA -0.212 4.129 4.320 0.034 0.000 0.220 121 A C 2.184 179.788 177.584 0.034 0.000 1.170 121 A CA 1.585 53.683 52.037 0.102 0.000 0.636 121 A CB -0.396 18.674 19.000 0.117 0.000 0.810 121 A HN 0.323 nan 8.150 nan 0.000 0.448 122 Q N -0.843 118.977 119.800 0.032 0.000 2.165 122 Q HA 0.033 4.393 4.340 0.034 0.000 0.197 122 Q C 2.355 178.299 176.000 -0.093 0.000 0.952 122 Q CA 1.291 57.078 55.803 -0.026 0.000 0.848 122 Q CB -0.832 27.909 28.738 0.006 0.000 0.931 122 Q HN 0.456 nan 8.270 nan 0.000 0.470 123 V N 0.748 120.626 119.914 -0.060 0.000 2.270 123 V HA -0.184 3.957 4.120 0.034 0.000 0.245 123 V C 2.498 178.489 176.094 -0.173 0.000 1.043 123 V CA 1.315 63.561 62.300 -0.089 0.000 1.014 123 V CB -0.571 31.175 31.823 -0.128 0.000 0.645 123 V HN 0.062 nan 8.190 nan 0.000 0.447 124 V N 1.138 120.913 119.914 -0.233 0.000 2.255 124 V HA -0.155 3.986 4.120 0.034 0.000 0.247 124 V C 0.237 176.246 176.094 -0.142 0.000 1.051 124 V CA 2.646 64.817 62.300 -0.215 0.000 1.018 124 V CB -1.956 29.746 31.823 -0.201 0.000 0.641 124 V HN 0.537 nan 8.190 nan 0.000 0.445 125 P HA -0.162 nan 4.420 nan 0.000 0.218 125 P C 1.522 178.730 177.300 -0.154 0.000 1.149 125 P CA 1.421 64.451 63.100 -0.117 0.000 0.817 125 P CB -0.149 31.493 31.700 -0.097 0.000 0.785 126 R N -0.441 119.906 120.500 -0.254 0.000 2.115 126 R HA -0.006 4.354 4.340 0.034 0.000 0.226 126 R C 2.329 178.513 176.300 -0.194 0.000 1.100 126 R CA 0.800 56.655 56.100 -0.409 0.000 0.980 126 R CB -0.873 28.821 30.300 -1.011 0.000 0.875 126 R HN 0.090 nan 8.270 nan 0.000 0.445 127 V N 1.533 121.423 119.914 -0.041 0.000 2.307 127 V HA -0.206 3.935 4.120 0.034 0.000 0.245 127 V C 2.182 178.283 176.094 0.013 0.000 1.045 127 V CA 1.597 63.948 62.300 0.086 0.000 1.024 127 V CB -0.318 31.529 31.823 0.040 0.000 0.651 127 V HN 0.288 nan 8.190 nan 0.000 0.449 128 L N -0.434 120.768 121.223 -0.034 0.000 2.376 128 L HA -0.102 4.258 4.340 0.034 0.000 0.219 128 L C 2.433 179.286 176.870 -0.029 0.000 1.133 128 L CA 0.945 55.765 54.840 -0.032 0.000 0.816 128 L CB -0.550 41.482 42.059 -0.046 0.000 0.933 128 L HN 0.423 nan 8.230 nan 0.000 0.449 129 E N 0.542 120.720 120.200 -0.037 0.000 2.051 129 E HA -0.221 4.150 4.350 0.034 0.000 0.192 129 E C 2.300 178.895 176.600 -0.008 0.000 0.991 129 E CA 1.411 57.792 56.400 -0.030 0.000 0.799 129 E CB -0.111 29.561 29.700 -0.046 0.000 0.748 129 E HN 0.522 nan 8.360 nan 0.000 0.449 130 A N 0.659 123.486 122.820 0.012 0.000 1.935 130 A HA 0.333 4.673 4.320 0.034 0.000 0.214 130 A C 1.058 178.653 177.584 0.017 0.000 1.178 130 A CA 0.918 52.971 52.037 0.027 0.000 0.640 130 A CB 0.274 19.312 19.000 0.064 0.000 0.825 130 A HN 0.218 nan 8.150 nan 0.000 0.447 131 A N -0.911 121.918 122.820 0.014 0.000 2.475 131 A HA 0.556 4.897 4.320 0.034 0.000 0.301 131 A C 0.452 178.036 177.584 -0.001 0.000 1.059 131 A CA 0.217 52.259 52.037 0.007 0.000 0.710 131 A CB 0.799 19.805 19.000 0.010 0.000 1.288 131 A HN 0.972 nan 8.150 nan 0.000 0.408 132 E N 0.127 120.326 120.200 -0.002 0.000 2.843 132 E HA -0.261 4.109 4.350 0.034 0.000 0.266 132 E C 0.533 177.134 176.600 0.001 0.000 1.296 132 E CA 1.948 58.349 56.400 0.000 0.000 0.695 132 E CB -1.597 28.104 29.700 0.001 0.000 1.300 132 E HN 1.690 nan 8.360 nan 0.000 0.430 133 A N 0.487 123.306 122.820 -0.001 0.000 2.440 133 A HA 0.441 4.782 4.320 0.034 0.000 0.251 133 A C 0.305 177.888 177.584 -0.002 0.000 1.089 133 A CA -0.051 51.985 52.037 -0.003 0.000 0.779 133 A CB 0.856 19.853 19.000 -0.005 0.000 1.022 133 A HN 0.286 nan 8.150 nan 0.000 0.492 134 V N 3.745 123.658 119.914 -0.003 0.000 2.572 134 V HA 0.101 4.241 4.120 0.034 0.000 0.291 134 V C 0.372 176.463 176.094 -0.006 0.000 1.039 134 V CA 0.225 62.525 62.300 -0.001 0.000 1.055 134 V CB 0.457 32.277 31.823 -0.004 0.000 0.969 134 V HN 0.640 nan 8.190 nan 0.000 0.482 135 L N 5.858 127.081 121.223 0.000 0.000 2.289 135 L HA 0.509 4.869 4.340 0.034 0.000 0.285 135 L C -0.463 176.410 176.870 0.004 0.000 1.049 135 L CA -0.505 54.332 54.840 -0.005 0.000 0.804 135 L CB 1.314 43.370 42.059 -0.006 0.000 1.195 135 L HN 0.466 nan 8.230 nan 0.000 0.428 136 L N 4.895 126.116 121.223 -0.002 0.000 2.316 136 L HA 0.476 4.837 4.340 0.034 0.000 0.280 136 L C -0.574 176.312 176.870 0.027 0.000 1.006 136 L CA -0.238 54.602 54.840 -0.000 0.000 0.836 136 L CB 1.668 43.712 42.059 -0.026 0.000 1.221 136 L HN 0.244 nan 8.230 nan 0.000 0.418 137 V N 5.732 125.682 119.914 0.059 0.000 2.407 137 V HA 0.582 4.722 4.120 0.034 0.000 0.278 137 V C 0.909 177.050 176.094 0.077 0.000 1.037 137 V CA 0.403 62.782 62.300 0.131 0.000 0.900 137 V CB 0.869 32.812 31.823 0.201 0.000 0.983 137 V HN 0.958 nan 8.190 nan 0.000 0.459 138 A N 3.350 126.226 122.820 0.094 0.000 2.127 138 A HA 0.216 4.557 4.320 0.034 0.000 0.204 138 A C 1.174 178.785 177.584 0.046 0.000 1.243 138 A CA 0.164 52.224 52.037 0.039 0.000 0.887 138 A CB 0.021 19.038 19.000 0.029 0.000 0.933 138 A HN 0.646 nan 8.150 nan 0.000 0.479 139 T N 2.452 117.059 114.554 0.088 0.000 2.867 139 T HA 0.121 4.492 4.350 0.034 0.000 0.297 139 T C 0.115 174.776 174.700 -0.066 0.000 0.989 139 T CA 0.241 62.351 62.100 0.017 0.000 1.159 139 T CB -0.148 68.730 68.868 0.016 0.000 0.928 139 T HN 0.469 nan 8.240 nan 0.000 0.538 140 N N 3.753 122.433 118.700 -0.033 0.000 2.467 140 N HA 0.246 5.007 4.740 0.034 0.000 0.262 140 N C -2.435 173.033 175.510 -0.071 0.000 1.234 140 N CA -1.550 51.487 53.050 -0.022 0.000 0.952 140 N CB 0.538 39.035 38.487 0.017 0.000 1.158 140 N HN 0.370 nan 8.380 nan 0.000 0.463 141 P HA -0.041 nan 4.420 nan 0.000 0.270 141 P C 0.675 177.969 177.300 -0.010 0.000 1.242 141 P CA 0.143 63.239 63.100 -0.007 0.000 0.768 141 P CB 1.129 32.828 31.700 -0.001 0.000 0.820 142 V N 3.876 123.817 119.914 0.044 0.000 2.469 142 V HA -0.224 3.917 4.120 0.034 0.000 0.251 142 V C 1.686 177.788 176.094 0.014 0.000 1.064 142 V CA 2.102 64.411 62.300 0.015 0.000 1.066 142 V CB -0.679 31.158 31.823 0.023 0.000 0.667 142 V HN 0.450 nan 8.190 nan 0.000 0.461 143 D N -0.230 120.195 120.400 0.041 0.000 2.097 143 D HA -0.135 4.526 4.640 0.034 0.000 0.195 143 D C 2.156 178.480 176.300 0.041 0.000 0.989 143 D CA 1.836 55.862 54.000 0.043 0.000 0.827 143 D CB -0.227 40.605 40.800 0.053 0.000 0.966 143 D HN 0.461 nan 8.370 nan 0.000 0.456 144 V N 1.523 121.453 119.914 0.026 0.000 2.427 144 V HA -0.200 3.940 4.120 0.034 0.000 0.248 144 V C 2.445 178.516 176.094 -0.038 0.000 1.051 144 V CA 1.030 63.348 62.300 0.030 0.000 1.048 144 V CB -0.321 31.522 31.823 0.034 0.000 0.666 144 V HN 0.162 nan 8.190 nan 0.000 0.456 145 M N -0.181 119.348 119.600 -0.119 0.000 2.229 145 M HA -0.111 4.389 4.480 0.034 0.000 0.264 145 M C 2.218 178.484 176.300 -0.056 0.000 1.063 145 M CA 1.644 56.773 55.300 -0.285 0.000 1.114 145 M CB -1.715 30.582 32.600 -0.504 0.000 1.387 145 M HN 0.367 nan 8.290 nan 0.000 0.420 146 T N -0.031 114.543 114.554 0.033 0.000 2.821 146 T HA -0.177 4.193 4.350 0.034 0.000 0.267 146 T C 1.850 176.639 174.700 0.150 0.000 1.046 146 T CA 1.343 63.513 62.100 0.117 0.000 1.139 146 T CB -0.093 68.829 68.868 0.090 0.000 0.871 146 T HN 0.470 nan 8.240 nan 0.000 0.454 147 Q N 0.352 120.233 119.800 0.134 0.000 2.172 147 Q HA -0.048 4.312 4.340 0.034 0.000 0.200 147 Q C 2.288 178.340 176.000 0.087 0.000 0.964 147 Q CA 0.780 56.720 55.803 0.230 0.000 0.855 147 Q CB -0.066 28.837 28.738 0.274 0.000 0.918 147 Q HN 0.314 nan 8.270 nan 0.000 0.444 148 V N 1.020 120.846 119.914 -0.148 0.000 2.287 148 V HA -0.304 3.837 4.120 0.034 0.000 0.248 148 V C 2.350 178.302 176.094 -0.237 0.000 1.053 148 V CA 1.915 63.871 62.300 -0.574 0.000 1.027 148 V CB -1.023 30.441 31.823 -0.597 0.000 0.646 148 V HN 0.523 nan 8.190 nan 0.000 0.447 149 A N -0.838 122.030 122.820 0.079 0.000 1.877 149 A HA -0.274 4.067 4.320 0.034 0.000 0.216 149 A C 2.169 179.782 177.584 0.049 0.000 1.186 149 A CA 2.097 54.204 52.037 0.115 0.000 0.620 149 A CB -0.835 18.291 19.000 0.210 0.000 0.822 149 A HN 0.642 nan 8.150 nan 0.000 0.443 150 Y N 0.931 121.217 120.300 -0.023 0.000 2.081 150 Y HA -0.284 4.285 4.550 0.032 0.000 0.280 150 Y C 2.465 178.306 175.900 -0.098 0.000 1.163 150 Y CA 2.318 60.381 58.100 -0.062 0.000 1.135 150 Y CB -0.288 38.138 38.460 -0.057 0.000 0.970 150 Y HN 0.194 nan 8.280 nan 0.000 0.498 151 R N 0.373 120.669 120.500 -0.341 0.000 2.073 151 R HA -0.141 4.219 4.340 0.034 0.000 0.234 151 R C 2.466 178.643 176.300 -0.205 0.000 1.134 151 R CA 1.774 57.674 56.100 -0.333 0.000 0.952 151 R CB -1.336 29.003 30.300 0.065 0.000 0.850 151 R HN 0.458 nan 8.270 nan 0.000 0.433 152 L N 1.172 122.319 121.223 -0.126 0.000 2.141 152 L HA -0.142 4.218 4.340 0.034 0.000 0.209 152 L C 2.598 179.408 176.870 -0.101 0.000 1.094 152 L CA 1.573 56.370 54.840 -0.071 0.000 0.763 152 L CB -0.587 41.442 42.059 -0.051 0.000 0.908 152 L HN 0.273 nan 8.230 nan 0.000 0.437 153 S N -0.352 115.273 115.700 -0.126 0.000 2.387 153 S HA -0.045 4.445 4.470 0.034 0.000 0.226 153 S C 1.768 176.302 174.600 -0.111 0.000 1.026 153 S CA 0.722 58.863 58.200 -0.098 0.000 0.972 153 S CB -0.321 62.843 63.200 -0.061 0.000 0.814 153 S HN 0.530 nan 8.310 nan 0.000 0.477 154 G N 0.992 109.681 108.800 -0.184 0.000 2.155 154 G HA2 -0.238 3.743 3.960 0.034 0.000 0.257 154 G HA3 -0.238 3.743 3.960 0.034 0.000 0.257 154 G C -0.009 174.826 174.900 -0.108 0.000 0.983 154 G CA 0.569 45.568 45.100 -0.169 0.000 0.676 154 G HN 0.569 nan 8.290 nan 0.000 0.528 155 L N 1.330 122.510 121.223 -0.071 0.000 2.456 155 L HA 0.423 4.784 4.340 0.034 0.000 0.257 155 L C -1.108 175.826 176.870 0.106 0.000 1.162 155 L CA -2.123 52.728 54.840 0.020 0.000 0.808 155 L CB 0.410 42.496 42.059 0.046 0.000 1.136 155 L HN -0.048 nan 8.230 nan 0.000 0.466 156 P HA 0.033 nan 4.420 nan 0.000 0.267 156 P C -2.222 175.186 177.300 0.179 0.000 1.200 156 P CA -1.143 62.042 63.100 0.141 0.000 0.772 156 P CB -0.015 31.733 31.700 0.081 0.000 0.855 157 P HA -0.189 nan 4.420 nan 0.000 0.216 157 P C 1.631 178.934 177.300 0.006 0.000 1.153 157 P CA 1.948 65.011 63.100 -0.062 0.000 0.858 157 P CB -0.634 31.021 31.700 -0.075 0.000 0.789 158 G N -0.066 108.755 108.800 0.036 0.000 2.470 158 G HA2 -0.219 3.761 3.960 0.034 0.000 0.220 158 G HA3 -0.219 3.761 3.960 0.034 0.000 0.220 158 G C 1.655 176.575 174.900 0.033 0.000 1.121 158 G CA 0.209 45.326 45.100 0.028 0.000 0.766 158 G HN 0.295 nan 8.290 nan 0.000 0.553 159 R N -0.791 119.739 120.500 0.050 0.000 2.310 159 R HA 0.203 4.564 4.340 0.034 0.000 0.202 159 R C -0.356 175.974 176.300 0.049 0.000 0.933 159 R CA -0.084 56.042 56.100 0.043 0.000 1.054 159 R CB 0.634 30.959 30.300 0.043 0.000 0.985 159 R HN 0.187 nan 8.270 nan 0.000 0.489 160 V N 2.051 122.006 119.914 0.069 0.000 2.284 160 V HA 0.223 4.364 4.120 0.034 0.000 0.274 160 V C -0.489 175.641 176.094 0.060 0.000 1.023 160 V CA -0.596 61.752 62.300 0.080 0.000 0.808 160 V CB 1.691 33.604 31.823 0.150 0.000 1.035 160 V HN -0.167 nan 8.190 nan 0.000 0.445 161 V N 3.847 123.784 119.914 0.038 0.000 2.398 161 V HA 0.739 4.880 4.120 0.034 0.000 0.286 161 V C 0.801 176.907 176.094 0.020 0.000 1.026 161 V CA -0.401 61.909 62.300 0.017 0.000 0.868 161 V CB 1.729 33.547 31.823 -0.009 0.000 0.982 161 V HN 0.792 nan 8.190 nan 0.000 0.443 162 G N 1.992 110.802 108.800 0.016 0.000 2.371 162 G HA2 0.436 4.417 3.960 0.034 0.000 0.326 162 G HA3 0.436 4.417 3.960 0.034 0.000 0.326 162 G C 0.964 175.844 174.900 -0.035 0.000 1.127 162 G CA 0.250 45.355 45.100 0.007 0.000 0.885 162 G HN 0.877 nan 8.290 nan 0.000 0.477 163 S N 1.494 117.157 115.700 -0.061 0.000 2.400 163 S HA 0.063 4.553 4.470 0.034 0.000 0.232 163 S C 2.060 176.582 174.600 -0.129 0.000 1.025 163 S CA 1.203 59.339 58.200 -0.107 0.000 0.993 163 S CB -0.840 62.280 63.200 -0.134 0.000 0.808 163 S HN 2.283 nan 8.310 nan 0.000 0.478 164 G N 1.617 110.338 108.800 -0.132 0.000 2.634 164 G HA2 -0.416 3.565 3.960 0.034 0.000 0.309 164 G HA3 -0.416 3.565 3.960 0.034 0.000 0.309 164 G C 0.778 175.582 174.900 -0.160 0.000 1.265 164 G CA 1.724 46.766 45.100 -0.096 0.000 0.998 164 G HN 1.361 nan 8.290 nan 0.000 0.551 165 T N -0.519 114.019 114.554 -0.025 0.000 3.219 165 T HA 0.442 4.812 4.350 0.034 0.000 0.249 165 T C 2.217 176.929 174.700 0.021 0.000 1.099 165 T CA 0.949 63.071 62.100 0.037 0.000 0.988 165 T CB 0.150 69.072 68.868 0.091 0.000 0.999 165 T HN 0.705 nan 8.240 nan 0.000 0.550 166 I N 0.181 120.735 120.570 -0.028 0.000 2.264 166 I HA -0.132 4.059 4.170 0.034 0.000 0.248 166 I C 1.973 178.098 176.117 0.014 0.000 1.111 166 I CA 1.244 62.550 61.300 0.011 0.000 1.382 166 I CB -0.022 37.964 38.000 -0.024 0.000 1.060 166 I HN 0.317 nan 8.210 nan 0.000 0.418 167 L N 0.540 121.744 121.223 -0.032 0.000 2.179 167 L HA -0.127 4.234 4.340 0.034 0.000 0.208 167 L C 1.991 178.898 176.870 0.062 0.000 1.096 167 L CA 1.696 56.540 54.840 0.006 0.000 0.779 167 L CB -0.708 41.339 42.059 -0.020 0.000 0.922 167 L HN 0.222 nan 8.230 nan 0.000 0.443 168 D N -1.155 119.302 120.400 0.094 0.000 2.097 168 D HA -0.163 4.498 4.640 0.034 0.000 0.197 168 D C 1.810 178.173 176.300 0.105 0.000 0.984 168 D CA 1.852 55.913 54.000 0.102 0.000 0.826 168 D CB -0.100 40.772 40.800 0.120 0.000 0.973 168 D HN 0.339 nan 8.370 nan 0.000 0.460 169 T N 1.476 116.104 114.554 0.122 0.000 2.665 169 T HA -0.191 4.179 4.350 0.034 0.000 0.268 169 T C 2.114 176.885 174.700 0.117 0.000 1.035 169 T CA 1.684 63.878 62.100 0.157 0.000 1.151 169 T CB -0.289 68.665 68.868 0.145 0.000 0.862 169 T HN 0.210 nan 8.240 nan 0.000 0.438 170 A N 1.380 124.249 122.820 0.082 0.000 1.933 170 A HA -0.101 4.239 4.320 0.034 0.000 0.218 170 A C 2.378 179.997 177.584 0.058 0.000 1.175 170 A CA 1.497 53.566 52.037 0.054 0.000 0.628 170 A CB -0.472 18.554 19.000 0.044 0.000 0.814 170 A HN 0.426 nan 8.150 nan 0.000 0.444 171 R N -1.910 118.636 120.500 0.076 0.000 2.075 171 R HA -0.071 4.290 4.340 0.034 0.000 0.232 171 R C 2.000 178.377 176.300 0.129 0.000 1.126 171 R CA 1.398 57.544 56.100 0.077 0.000 0.963 171 R CB -0.447 29.887 30.300 0.058 0.000 0.858 171 R HN 0.528 nan 8.270 nan 0.000 0.435 172 F N 1.961 121.867 119.950 -0.073 0.000 2.095 172 F HA -0.145 4.402 4.527 0.035 0.000 0.298 172 F C 1.984 177.701 175.800 -0.139 0.000 1.104 172 F CA 1.526 59.442 58.000 -0.140 0.000 1.232 172 F CB -0.302 38.577 39.000 -0.201 0.000 0.987 172 F HN -0.136 nan 8.300 nan 0.000 0.475 173 R N -0.210 120.267 120.500 -0.039 0.000 2.075 173 R HA -0.079 4.281 4.340 0.034 0.000 0.232 173 R C 2.409 178.656 176.300 -0.089 0.000 1.126 173 R CA 1.289 57.287 56.100 -0.170 0.000 0.963 173 R CB -0.734 29.483 30.300 -0.139 0.000 0.858 173 R HN 0.311 nan 8.270 nan 0.000 0.435 174 A N 0.940 123.751 122.820 -0.016 0.000 1.930 174 A HA -0.072 4.268 4.320 0.034 0.000 0.217 174 A C 2.106 179.707 177.584 0.030 0.000 1.175 174 A CA 1.013 53.052 52.037 0.002 0.000 0.627 174 A CB -0.343 18.668 19.000 0.018 0.000 0.815 174 A HN 0.158 nan 8.150 nan 0.000 0.443 175 L N -0.868 120.393 121.223 0.064 0.000 2.131 175 L HA -0.052 4.309 4.340 0.034 0.000 0.206 175 L C 2.453 179.393 176.870 0.116 0.000 1.087 175 L CA 0.617 55.518 54.840 0.101 0.000 0.767 175 L CB -0.489 41.647 42.059 0.128 0.000 0.917 175 L HN 0.338 nan 8.230 nan 0.000 0.441 176 L N -0.103 121.153 121.223 0.055 0.000 2.131 176 L HA -0.203 4.158 4.340 0.034 0.000 0.210 176 L C 2.852 179.759 176.870 0.060 0.000 1.092 176 L CA 1.107 55.963 54.840 0.026 0.000 0.759 176 L CB -0.600 41.335 42.059 -0.207 0.000 0.903 176 L HN 0.253 nan 8.230 nan 0.000 0.435 177 A N -0.222 122.596 122.820 -0.003 0.000 1.898 177 A HA -0.199 4.142 4.320 0.034 0.000 0.216 177 A C 2.154 179.765 177.584 0.046 0.000 1.181 177 A CA 1.445 53.477 52.037 -0.009 0.000 0.620 177 A CB -0.348 18.627 19.000 -0.042 0.000 0.819 177 A HN 0.437 nan 8.150 nan 0.000 0.442 178 E N -1.558 118.685 120.200 0.072 0.000 2.077 178 E HA -0.226 4.144 4.350 0.034 0.000 0.193 178 E C 1.897 178.570 176.600 0.122 0.000 0.989 178 E CA 1.504 57.954 56.400 0.083 0.000 0.800 178 E CB -0.355 29.398 29.700 0.088 0.000 0.746 178 E HN 0.782 nan 8.360 nan 0.000 0.452 179 Y N 1.220 121.548 120.300 0.046 0.000 2.165 179 Y HA -0.176 4.395 4.550 0.035 0.000 0.286 179 Y C 1.862 177.802 175.900 0.067 0.000 1.155 179 Y CA 1.449 59.588 58.100 0.065 0.000 1.164 179 Y CB 0.032 38.549 38.460 0.095 0.000 0.978 179 Y HN -0.067 nan 8.280 nan 0.000 0.513 180 L N -0.431 120.875 121.223 0.138 0.000 2.567 180 L HA 0.099 4.459 4.340 0.034 0.000 0.225 180 L C 0.338 177.245 176.870 0.061 0.000 1.119 180 L CA 0.038 54.934 54.840 0.095 0.000 0.871 180 L CB -0.039 42.137 42.059 0.196 0.000 1.036 180 L HN -0.061 nan 8.230 nan 0.000 0.459 181 R N 0.830 121.351 120.500 0.035 0.000 3.205 181 R HA -0.127 4.233 4.340 0.034 0.000 0.249 181 R C -0.605 175.720 176.300 0.042 0.000 0.937 181 R CA 0.778 56.894 56.100 0.027 0.000 0.641 181 R CB -2.435 27.871 30.300 0.010 0.000 1.114 181 R HN 0.339 nan 8.270 nan 0.000 0.451 182 V N -4.002 115.928 119.914 0.027 0.000 3.141 182 V HA 0.950 5.090 4.120 0.034 0.000 0.312 182 V C 0.342 176.416 176.094 -0.033 0.000 1.157 182 V CA -0.785 61.519 62.300 0.008 0.000 1.041 182 V CB 2.422 34.239 31.823 -0.011 0.000 1.071 182 V HN 0.357 nan 8.190 nan 0.000 0.441 183 A N 2.092 124.886 122.820 -0.043 0.000 2.477 183 A HA 0.612 4.952 4.320 0.034 0.000 0.246 183 A C -1.140 176.383 177.584 -0.101 0.000 1.078 183 A CA -0.793 51.211 52.037 -0.055 0.000 0.770 183 A CB -0.096 18.879 19.000 -0.042 0.000 1.011 183 A HN 0.865 nan 8.150 nan 0.000 0.494 184 P HA -0.145 nan 4.420 nan 0.000 0.220 184 P C 0.846 178.044 177.300 -0.169 0.000 1.148 184 P CA 1.059 64.082 63.100 -0.130 0.000 0.803 184 P CB 0.186 31.837 31.700 -0.081 0.000 0.782 185 Q N -0.085 119.644 119.800 -0.119 0.000 2.308 185 Q HA -0.079 4.281 4.340 0.034 0.000 0.209 185 Q C 2.107 177.991 176.000 -0.194 0.000 0.985 185 Q CA 1.592 57.330 55.803 -0.109 0.000 0.881 185 Q CB -0.974 27.736 28.738 -0.048 0.000 0.917 185 Q HN 0.212 nan 8.270 nan 0.000 0.443 186 S N -0.908 114.642 115.700 -0.250 0.000 2.558 186 S HA 0.107 4.597 4.470 0.034 0.000 0.217 186 S C 0.159 174.332 174.600 -0.711 0.000 0.975 186 S CA -0.171 57.820 58.200 -0.349 0.000 0.912 186 S CB 0.520 63.592 63.200 -0.214 0.000 0.776 186 S HN 0.018 nan 8.310 nan 0.000 0.526 187 V N 3.523 123.029 119.914 -0.679 0.000 2.394 187 V HA 0.307 4.448 4.120 0.034 0.000 0.282 187 V C -0.423 175.236 176.094 -0.725 0.000 1.031 187 V CA -0.631 61.280 62.300 -0.648 0.000 0.881 187 V CB 0.872 32.439 31.823 -0.427 0.000 0.982 187 V HN 0.382 nan 8.190 nan 0.000 0.451 188 H N 4.125 123.079 119.070 -0.194 0.000 2.530 188 H HA 0.721 5.297 4.556 0.034 0.000 0.246 188 H C -0.058 175.184 175.328 -0.143 0.000 1.346 188 H CA -0.075 55.895 56.048 -0.129 0.000 1.424 188 H CB 1.414 31.125 29.762 -0.084 0.000 1.445 188 H HN 0.739 nan 8.280 nan 0.000 0.511 189 A N 2.808 125.528 122.820 -0.168 0.000 2.435 189 A HA 0.704 5.044 4.320 0.034 0.000 0.304 189 A C -1.392 176.135 177.584 -0.096 0.000 1.064 189 A CA -0.843 50.992 52.037 -0.337 0.000 0.727 189 A CB 1.840 20.274 19.000 -0.944 0.000 1.284 189 A HN 0.540 nan 8.150 nan 0.000 0.415 190 Y N -1.300 118.973 120.300 -0.045 0.000 2.609 190 Y HA 0.798 5.368 4.550 0.033 0.000 0.342 190 Y C -0.997 174.994 175.900 0.152 0.000 1.058 190 Y CA -1.606 56.533 58.100 0.065 0.000 1.055 190 Y CB 1.150 39.618 38.460 0.014 0.000 1.292 190 Y HN 0.407 nan 8.280 nan 0.000 0.476 191 V N 3.444 123.535 119.914 0.296 0.000 2.495 191 V HA 0.557 4.697 4.120 0.034 0.000 0.298 191 V C -0.298 175.909 176.094 0.189 0.000 1.031 191 V CA -0.726 61.660 62.300 0.143 0.000 0.871 191 V CB 1.335 33.196 31.823 0.063 0.000 0.988 191 V HN 0.759 nan 8.190 nan 0.000 0.432 192 L N 3.061 124.372 121.223 0.147 0.000 2.279 192 L HA 0.991 5.351 4.340 0.034 0.000 0.262 192 L C 0.883 177.799 176.870 0.077 0.000 1.019 192 L CA -0.140 54.779 54.840 0.132 0.000 0.823 192 L CB 1.922 44.086 42.059 0.175 0.000 1.358 192 L HN 0.902 nan 8.230 nan 0.000 0.432 193 G N 0.658 109.494 108.800 0.060 0.000 2.488 193 G HA2 -0.224 3.757 3.960 0.034 0.000 0.237 193 G HA3 -0.224 3.757 3.960 0.034 0.000 0.237 193 G C -0.374 174.557 174.900 0.052 0.000 1.209 193 G CA -0.045 45.083 45.100 0.047 0.000 0.929 193 G HN 0.789 nan 8.290 nan 0.000 0.578 194 E N 0.467 120.696 120.200 0.047 0.000 2.392 194 E HA 0.228 4.599 4.350 0.034 0.000 0.264 194 E C 0.049 176.699 176.600 0.083 0.000 1.024 194 E CA -0.162 56.272 56.400 0.056 0.000 0.903 194 E CB 0.256 29.975 29.700 0.032 0.000 0.963 194 E HN 0.633 nan 8.360 nan 0.000 0.432 195 H N 3.474 122.542 119.070 -0.003 0.000 3.092 195 H HA 0.376 4.951 4.556 0.031 0.000 0.263 195 H C -0.164 175.151 175.328 -0.021 0.000 1.611 195 H CA 0.937 56.976 56.048 -0.014 0.000 1.457 195 H CB -0.326 29.425 29.762 -0.017 0.000 1.731 195 H HN 0.616 nan 8.280 nan 0.000 0.532 196 G N 2.584 111.259 108.800 -0.208 0.000 2.356 196 G HA2 -0.085 3.896 3.960 0.034 0.000 0.281 196 G HA3 -0.085 3.896 3.960 0.034 0.000 0.281 196 G C -0.128 174.728 174.900 -0.073 0.000 1.246 196 G CA -0.216 44.769 45.100 -0.191 0.000 0.889 196 G HN 0.319 nan 8.290 nan 0.000 0.486 197 D N 0.330 120.727 120.400 -0.005 0.000 2.218 197 D HA -0.062 4.599 4.640 0.034 0.000 0.204 197 D C 2.391 178.699 176.300 0.012 0.000 0.976 197 D CA 1.841 55.862 54.000 0.034 0.000 0.853 197 D CB 0.032 40.871 40.800 0.064 0.000 0.939 197 D HN 0.452 nan 8.370 nan 0.000 0.481 198 S N 0.215 115.919 115.700 0.007 0.000 2.614 198 S HA 0.030 4.520 4.470 0.034 0.000 0.230 198 S C 0.514 175.119 174.600 0.008 0.000 0.952 198 S CA -0.696 57.510 58.200 0.009 0.000 0.949 198 S CB -0.317 62.891 63.200 0.014 0.000 0.786 198 S HN 0.278 nan 8.310 nan 0.000 0.478 199 E N 0.703 120.902 120.200 -0.002 0.000 2.408 199 E HA 0.331 4.702 4.350 0.034 0.000 0.259 199 E C -0.977 175.617 176.600 -0.011 0.000 1.110 199 E CA -0.755 55.645 56.400 0.001 0.000 0.929 199 E CB 0.747 30.443 29.700 -0.007 0.000 0.971 199 E HN 0.100 nan 8.360 nan 0.000 0.438 200 V N 2.936 122.848 119.914 -0.003 0.000 2.357 200 V HA 0.142 4.282 4.120 0.034 0.000 0.284 200 V C -0.358 175.695 176.094 -0.068 0.000 1.018 200 V CA -0.852 61.442 62.300 -0.011 0.000 0.841 200 V CB 0.923 32.762 31.823 0.027 0.000 0.991 200 V HN 0.529 nan 8.190 nan 0.000 0.437 201 L N 5.666 126.799 121.223 -0.150 0.000 2.369 201 L HA 0.258 4.619 4.340 0.034 0.000 0.279 201 L C 0.338 177.081 176.870 -0.213 0.000 1.108 201 L CA 0.494 55.106 54.840 -0.381 0.000 0.852 201 L CB 1.389 43.003 42.059 -0.740 0.000 1.169 201 L HN 0.440 nan 8.230 nan 0.000 0.452 202 V N 5.099 124.877 119.914 -0.227 0.000 2.223 202 V HA -0.014 4.127 4.120 0.034 0.000 0.249 202 V C 0.534 176.532 176.094 -0.160 0.000 1.233 202 V CA -0.132 62.019 62.300 -0.248 0.000 1.131 202 V CB -0.628 30.771 31.823 -0.707 0.000 1.298 202 V HN 0.828 nan 8.190 nan 0.000 0.498 203 W N 1.930 123.238 121.300 0.012 0.000 2.402 203 W HA -0.163 4.517 4.660 0.034 0.000 0.286 203 W C 2.686 179.194 176.519 -0.018 0.000 1.221 203 W CA 1.279 58.650 57.345 0.043 0.000 1.257 203 W CB -0.328 29.162 29.460 0.049 0.000 1.120 203 W HN 0.668 nan 8.180 nan 0.000 0.551 204 S N -0.010 115.800 115.700 0.183 0.000 2.359 204 S HA -0.225 4.265 4.470 0.034 0.000 0.224 204 S C 1.698 176.341 174.600 0.072 0.000 1.035 204 S CA 1.703 59.971 58.200 0.114 0.000 1.018 204 S CB -1.152 62.098 63.200 0.083 0.000 0.876 204 S HN 0.203 nan 8.310 nan 0.000 0.448 205 S N 1.082 116.796 115.700 0.022 0.000 2.557 205 S HA 0.662 5.153 4.470 0.034 0.000 0.223 205 S C 0.574 175.178 174.600 0.007 0.000 0.969 205 S CA -0.136 58.084 58.200 0.033 0.000 0.927 205 S CB -0.244 63.003 63.200 0.078 0.000 0.806 205 S HN 0.775 nan 8.310 nan 0.000 0.489 206 A N 1.663 124.454 122.820 -0.049 0.000 2.546 206 A HA 0.413 4.754 4.320 0.034 0.000 0.243 206 A C 0.262 177.830 177.584 -0.027 0.000 1.063 206 A CA 0.082 52.058 52.037 -0.101 0.000 0.757 206 A CB 0.108 18.983 19.000 -0.208 0.000 0.991 206 A HN 0.630 nan 8.150 nan 0.000 0.503 207 Q N 1.113 120.905 119.800 -0.013 0.000 2.433 207 Q HA 0.572 4.932 4.340 0.034 0.000 0.279 207 Q C -0.099 175.878 176.000 -0.038 0.000 1.105 207 Q CA -0.926 54.890 55.803 0.023 0.000 0.815 207 Q CB 2.170 30.953 28.738 0.076 0.000 1.403 207 Q HN 0.454 nan 8.270 nan 0.000 0.435 208 V N -0.523 119.337 119.914 -0.089 0.000 3.539 208 V HA 0.113 4.253 4.120 0.034 0.000 0.262 208 V C -1.820 174.199 176.094 -0.125 0.000 1.381 208 V CA -0.165 61.938 62.300 -0.328 0.000 1.060 208 V CB -0.175 31.053 31.823 -0.991 0.000 0.842 208 V HN 0.570 nan 8.190 nan 0.000 0.445 209 P HA -0.025 nan 4.420 nan 0.000 0.296 209 P C 1.543 178.926 177.300 0.138 0.000 1.358 209 P CA 0.478 63.640 63.100 0.103 0.000 0.876 209 P CB 0.024 31.777 31.700 0.089 0.000 1.471 210 L N -1.943 119.374 121.223 0.156 0.000 2.924 210 L HA -0.415 3.945 4.340 0.034 0.000 0.200 210 L C 2.116 179.067 176.870 0.134 0.000 1.115 210 L CA 2.073 56.995 54.840 0.138 0.000 0.826 210 L CB -1.285 40.832 42.059 0.096 0.000 0.938 210 L HN 0.452 nan 8.230 nan 0.000 0.445 211 E N -1.152 119.125 120.200 0.127 0.000 2.085 211 E HA -0.238 4.133 4.350 0.034 0.000 0.194 211 E C 1.885 178.556 176.600 0.117 0.000 0.994 211 E CA 1.758 58.220 56.400 0.103 0.000 0.801 211 E CB -0.142 29.614 29.700 0.094 0.000 0.743 211 E HN 0.529 nan 8.360 nan 0.000 0.453 212 F N 0.903 120.882 119.950 0.047 0.000 2.163 212 F HA -0.032 4.516 4.527 0.035 0.000 0.297 212 F C 2.156 177.990 175.800 0.057 0.000 1.094 212 F CA 1.092 59.118 58.000 0.044 0.000 1.290 212 F CB -0.272 38.752 39.000 0.041 0.000 1.017 212 F HN -0.064 nan 8.300 nan 0.000 0.483 213 A N 0.671 123.706 122.820 0.359 0.000 1.908 213 A HA -0.270 4.070 4.320 0.034 0.000 0.218 213 A C 2.169 179.838 177.584 0.141 0.000 1.181 213 A CA 2.024 54.242 52.037 0.301 0.000 0.627 213 A CB -1.099 18.085 19.000 0.307 0.000 0.818 213 A HN 0.646 nan 8.150 nan 0.000 0.445 214 E N -0.035 120.217 120.200 0.087 0.000 2.072 214 E HA -0.024 4.346 4.350 0.034 0.000 0.191 214 E C 1.965 178.543 176.600 -0.038 0.000 0.985 214 E CA 1.123 57.540 56.400 0.028 0.000 0.801 214 E CB -0.533 29.182 29.700 0.025 0.000 0.750 214 E HN 0.427 nan 8.360 nan 0.000 0.452 215 A N 1.067 123.824 122.820 -0.104 0.000 2.084 215 A HA -0.153 4.188 4.320 0.034 0.000 0.221 215 A C 2.237 179.702 177.584 -0.199 0.000 1.161 215 A CA 1.714 53.637 52.037 -0.191 0.000 0.653 215 A CB -0.492 18.304 19.000 -0.339 0.000 0.802 215 A HN 0.173 nan 8.150 nan 0.000 0.457 216 R N -1.486 118.920 120.500 -0.158 0.000 2.362 216 R HA 0.275 4.635 4.340 0.034 0.000 0.227 216 R C 0.961 177.228 176.300 -0.055 0.000 0.905 216 R CA 0.837 56.874 56.100 -0.103 0.000 1.067 216 R CB -0.171 30.129 30.300 -0.000 0.000 1.078 216 R HN 0.784 nan 8.270 nan 0.000 0.516 217 G N 0.734 109.507 108.800 -0.045 0.000 2.140 217 G HA2 -0.200 3.781 3.960 0.034 0.000 0.211 217 G HA3 -0.200 3.781 3.960 0.034 0.000 0.211 217 G C -0.591 174.290 174.900 -0.031 0.000 1.013 217 G CA -0.208 44.869 45.100 -0.037 0.000 0.705 217 G HN 0.131 nan 8.290 nan 0.000 0.508 218 R N -0.732 119.773 120.500 0.008 0.000 2.621 218 R HA 0.749 5.109 4.340 0.034 0.000 0.292 218 R C 0.578 176.957 176.300 0.132 0.000 0.969 218 R CA -0.088 56.043 56.100 0.053 0.000 0.887 218 R CB 1.714 32.040 30.300 0.043 0.000 1.180 218 R HN 0.553 nan 8.270 nan 0.000 0.450 219 A N 2.175 125.081 122.820 0.143 0.000 2.390 219 A HA 0.140 4.481 4.320 0.034 0.000 0.232 219 A C 0.194 177.849 177.584 0.119 0.000 1.233 219 A CA -0.149 51.953 52.037 0.108 0.000 0.907 219 A CB 0.155 19.192 19.000 0.062 0.000 0.967 219 A HN 0.488 nan 8.150 nan 0.000 0.512 220 L N 0.913 122.264 121.223 0.215 0.000 3.887 220 L HA -0.162 4.198 4.340 0.034 0.000 0.546 220 L C 0.944 177.799 176.870 -0.026 0.000 1.196 220 L CA 0.588 55.481 54.840 0.088 0.000 0.777 220 L CB -2.652 39.428 42.059 0.035 0.000 1.346 220 L HN 0.681 nan 8.230 nan 0.000 0.810 221 S N 0.944 116.648 115.700 0.007 0.000 2.580 221 S HA 0.423 4.913 4.470 0.034 0.000 0.266 221 S C -1.016 173.517 174.600 -0.111 0.000 1.354 221 S CA -0.506 57.672 58.200 -0.036 0.000 1.008 221 S CB 0.652 63.852 63.200 0.000 0.000 0.898 221 S HN 0.372 nan 8.310 nan 0.000 0.555 222 P HA -0.138 nan 4.420 nan 0.000 0.216 222 P C 1.461 178.688 177.300 -0.121 0.000 1.150 222 P CA 1.499 64.510 63.100 -0.150 0.000 0.843 222 P CB -0.011 31.624 31.700 -0.108 0.000 0.787 223 E N -0.285 119.874 120.200 -0.068 0.000 2.085 223 E HA -0.231 4.140 4.350 0.034 0.000 0.194 223 E C 1.352 177.933 176.600 -0.032 0.000 0.994 223 E CA 1.372 57.750 56.400 -0.037 0.000 0.801 223 E CB -0.377 29.319 29.700 -0.007 0.000 0.743 223 E HN 0.145 nan 8.360 nan 0.000 0.453 224 D N 0.059 120.435 120.400 -0.040 0.000 2.117 224 D HA -0.112 4.548 4.640 0.034 0.000 0.198 224 D C 2.066 178.299 176.300 -0.112 0.000 0.982 224 D CA 0.854 54.829 54.000 -0.042 0.000 0.828 224 D CB -0.164 40.612 40.800 -0.040 0.000 0.967 224 D HN 0.188 nan 8.370 nan 0.000 0.464 225 R N 0.632 121.000 120.500 -0.221 0.000 2.092 225 R HA 0.013 4.374 4.340 0.034 0.000 0.231 225 R C 2.276 178.527 176.300 -0.081 0.000 1.119 225 R CA 1.112 57.019 56.100 -0.321 0.000 0.970 225 R CB -0.174 29.670 30.300 -0.760 0.000 0.864 225 R HN 0.079 nan 8.270 nan 0.000 0.440 226 A N 1.048 123.817 122.820 -0.084 0.000 1.902 226 A HA -0.182 4.158 4.320 0.034 0.000 0.217 226 A C 2.118 179.711 177.584 0.014 0.000 1.181 226 A CA 1.306 53.326 52.037 -0.030 0.000 0.623 226 A CB -0.424 18.553 19.000 -0.038 0.000 0.818 226 A HN 0.206 nan 8.150 nan 0.000 0.443 227 R N -0.473 120.039 120.500 0.019 0.000 2.081 227 R HA -0.081 4.280 4.340 0.034 0.000 0.235 227 R C 1.936 178.277 176.300 0.068 0.000 1.131 227 R CA 1.780 57.906 56.100 0.043 0.000 0.960 227 R CB -0.375 29.956 30.300 0.052 0.000 0.856 227 R HN 0.556 nan 8.270 nan 0.000 0.436 228 I N 0.690 121.321 120.570 0.101 0.000 2.202 228 I HA -0.277 3.913 4.170 0.034 0.000 0.242 228 I C 2.366 178.537 176.117 0.090 0.000 1.091 228 I CA 1.435 62.822 61.300 0.145 0.000 1.368 228 I CB -0.457 37.718 38.000 0.292 0.000 1.058 228 I HN 0.336 nan 8.210 nan 0.000 0.410 229 D N 1.007 121.478 120.400 0.118 0.000 2.116 229 D HA -0.308 4.353 4.640 0.034 0.000 0.193 229 D C 2.013 178.310 176.300 -0.004 0.000 0.998 229 D CA 2.017 56.031 54.000 0.023 0.000 0.836 229 D CB 0.026 40.870 40.800 0.073 0.000 0.951 229 D HN 0.485 nan 8.370 nan 0.000 0.449 230 E N -0.283 119.931 120.200 0.023 0.000 2.077 230 E HA -0.122 4.249 4.350 0.034 0.000 0.193 230 E C 2.187 178.805 176.600 0.030 0.000 0.989 230 E CA 1.532 57.947 56.400 0.025 0.000 0.800 230 E CB -0.571 29.145 29.700 0.027 0.000 0.746 230 E HN 0.305 nan 8.360 nan 0.000 0.452 231 G N 0.564 109.385 108.800 0.035 0.000 2.440 231 G HA2 -0.254 3.726 3.960 0.034 0.000 0.218 231 G HA3 -0.254 3.726 3.960 0.034 0.000 0.218 231 G C 1.636 176.549 174.900 0.022 0.000 1.154 231 G CA 1.111 46.234 45.100 0.040 0.000 0.767 231 G HN 0.253 nan 8.290 nan 0.000 0.552 232 V N 0.248 120.156 119.914 -0.009 0.000 2.255 232 V HA -0.046 4.095 4.120 0.034 0.000 0.243 232 V C 2.742 178.812 176.094 -0.039 0.000 1.038 232 V CA 1.915 64.189 62.300 -0.043 0.000 1.008 232 V CB -0.458 31.271 31.823 -0.157 0.000 0.645 232 V HN 0.335 nan 8.190 nan 0.000 0.449 233 R N -0.059 120.418 120.500 -0.038 0.000 2.120 233 R HA -0.100 4.260 4.340 0.034 0.000 0.234 233 R C 1.804 178.127 176.300 0.040 0.000 1.123 233 R CA 1.144 57.235 56.100 -0.014 0.000 0.975 233 R CB 0.080 30.381 30.300 0.001 0.000 0.866 233 R HN 0.313 nan 8.270 nan 0.000 0.446 234 R N -0.835 119.711 120.500 0.078 0.000 2.509 234 R HA 0.223 4.583 4.340 0.034 0.000 0.300 234 R C 1.267 177.627 176.300 0.099 0.000 0.985 234 R CA 0.488 56.708 56.100 0.199 0.000 1.092 234 R CB 0.627 31.045 30.300 0.197 0.000 1.237 234 R HN 0.166 nan 8.270 nan 0.000 0.546 235 A N 1.452 124.278 122.820 0.010 0.000 1.908 235 A HA -0.142 4.198 4.320 0.034 0.000 0.218 235 A C 2.287 179.844 177.584 -0.046 0.000 1.181 235 A CA 1.998 54.032 52.037 -0.006 0.000 0.627 235 A CB -0.345 18.649 19.000 -0.009 0.000 0.818 235 A HN 0.308 nan 8.150 nan 0.000 0.445 236 A N -1.341 121.387 122.820 -0.154 0.000 1.898 236 A HA -0.030 4.311 4.320 0.034 0.000 0.216 236 A C 2.073 179.540 177.584 -0.196 0.000 1.181 236 A CA 1.570 53.472 52.037 -0.224 0.000 0.620 236 A CB -0.815 17.958 19.000 -0.378 0.000 0.819 236 A HN 0.574 nan 8.150 nan 0.000 0.442 237 Y N 0.020 120.307 120.300 -0.021 0.000 2.145 237 Y HA -0.186 4.383 4.550 0.031 0.000 0.286 237 Y C 2.643 178.538 175.900 -0.008 0.000 1.145 237 Y CA 1.634 59.724 58.100 -0.016 0.000 1.148 237 Y CB -0.532 37.917 38.460 -0.018 0.000 0.981 237 Y HN 0.213 nan 8.280 nan 0.000 0.507 238 R N -0.059 120.529 120.500 0.146 0.000 2.083 238 R HA -0.166 4.194 4.340 0.034 0.000 0.237 238 R C 2.221 178.548 176.300 0.045 0.000 1.137 238 R CA 1.986 58.135 56.100 0.082 0.000 0.951 238 R CB -0.715 29.622 30.300 0.061 0.000 0.851 238 R HN 0.356 nan 8.270 nan 0.000 0.434 239 I N 0.533 121.113 120.570 0.017 0.000 2.252 239 I HA -0.263 3.928 4.170 0.034 0.000 0.245 239 I C 2.265 178.381 176.117 -0.002 0.000 1.102 239 I CA 1.255 62.550 61.300 -0.008 0.000 1.385 239 I CB -0.195 37.778 38.000 -0.045 0.000 1.064 239 I HN 0.102 nan 8.210 nan 0.000 0.414 240 I N 0.346 120.920 120.570 0.007 0.000 2.208 240 I HA -0.272 3.919 4.170 0.034 0.000 0.245 240 I C 2.535 178.678 176.117 0.043 0.000 1.097 240 I CA 1.277 62.592 61.300 0.026 0.000 1.363 240 I CB -0.401 37.621 38.000 0.036 0.000 1.051 240 I HN 0.231 nan 8.210 nan 0.000 0.413 241 E N 0.669 120.902 120.200 0.055 0.000 2.110 241 E HA -0.168 4.202 4.350 0.034 0.000 0.193 241 E C 2.248 178.871 176.600 0.038 0.000 0.988 241 E CA 1.516 57.946 56.400 0.049 0.000 0.804 241 E CB -0.370 29.362 29.700 0.053 0.000 0.745 241 E HN 0.596 nan 8.360 nan 0.000 0.458 242 G N 1.428 110.248 108.800 0.033 0.000 2.453 242 G HA2 -0.189 3.792 3.960 0.034 0.000 0.215 242 G HA3 -0.189 3.792 3.960 0.034 0.000 0.215 242 G C 1.391 176.310 174.900 0.032 0.000 1.147 242 G CA 0.842 45.960 45.100 0.030 0.000 0.802 242 G HN 0.307 nan 8.290 nan 0.000 0.535 243 K N -1.694 118.725 120.400 0.031 0.000 2.553 243 K HA 0.449 4.790 4.320 0.034 0.000 0.205 243 K C 1.273 177.909 176.600 0.061 0.000 1.168 243 K CA 0.581 56.895 56.287 0.045 0.000 1.043 243 K CB 0.718 33.242 32.500 0.039 0.000 0.967 243 K HN 0.406 nan 8.250 nan 0.000 0.585 244 G N 0.585 109.415 108.800 0.050 0.000 2.268 244 G HA2 -0.193 3.787 3.960 0.034 0.000 0.240 244 G HA3 -0.193 3.787 3.960 0.034 0.000 0.240 244 G C 0.197 175.136 174.900 0.066 0.000 1.010 244 G CA -0.048 45.086 45.100 0.057 0.000 0.618 244 G HN 0.920 nan 8.290 nan 0.000 0.516 245 A N -1.464 121.403 122.820 0.078 0.000 2.586 245 A HA 0.917 5.257 4.320 0.034 0.000 0.291 245 A C -0.221 177.368 177.584 0.008 0.000 1.062 245 A CA 0.847 52.937 52.037 0.089 0.000 0.666 245 A CB 0.662 19.763 19.000 0.168 0.000 1.281 245 A HN 1.953 nan 8.150 nan 0.000 0.421 246 T N -1.280 113.264 114.554 -0.017 0.000 2.859 246 T HA 0.698 5.068 4.350 0.034 0.000 0.281 246 T C -0.042 174.611 174.700 -0.078 0.000 1.005 246 T CA 0.422 62.418 62.100 -0.172 0.000 1.025 246 T CB 0.900 69.708 68.868 -0.100 0.000 0.977 246 T HN 1.689 nan 8.240 nan 0.000 0.458 247 Y N -0.052 120.158 120.300 -0.149 0.000 2.493 247 Y HA 0.300 4.869 4.550 0.032 0.000 0.295 247 Y C 1.295 177.133 175.900 -0.105 0.000 0.999 247 Y CA -0.749 57.250 58.100 -0.168 0.000 1.010 247 Y CB -0.319 37.983 38.460 -0.262 0.000 1.402 247 Y HN 0.505 nan 8.280 nan 0.000 0.586 248 Y N 2.296 122.509 120.300 -0.145 0.000 2.163 248 Y HA 0.100 4.672 4.550 0.038 0.000 0.288 248 Y C 2.654 178.554 175.900 -0.000 0.000 1.136 248 Y CA 1.528 59.626 58.100 -0.004 0.000 1.147 248 Y CB -0.975 37.442 38.460 -0.071 0.000 0.987 248 Y HN 0.315 nan 8.280 nan 0.000 0.509 249 G N -0.114 108.755 108.800 0.116 0.000 2.459 249 G HA2 -0.283 3.698 3.960 0.034 0.000 0.217 249 G HA3 -0.283 3.698 3.960 0.034 0.000 0.217 249 G C 1.717 176.648 174.900 0.052 0.000 1.183 249 G CA 1.217 46.357 45.100 0.067 0.000 0.776 249 G HN 0.369 nan 8.290 nan 0.000 0.552 250 I N 1.774 122.367 120.570 0.039 0.000 2.439 250 I HA 0.103 4.294 4.170 0.034 0.000 0.251 250 I C 2.702 178.839 176.117 0.033 0.000 1.139 250 I CA 1.309 62.619 61.300 0.017 0.000 1.438 250 I CB -0.677 37.328 38.000 0.007 0.000 1.085 250 I HN 0.095 nan 8.210 nan 0.000 0.427 251 G N 0.162 109.010 108.800 0.081 0.000 2.440 251 G HA2 -0.285 3.695 3.960 0.034 0.000 0.218 251 G HA3 -0.285 3.695 3.960 0.034 0.000 0.218 251 G C 1.729 176.671 174.900 0.070 0.000 1.154 251 G CA 0.813 45.970 45.100 0.095 0.000 0.767 251 G HN 0.577 nan 8.290 nan 0.000 0.552 252 A N 0.658 123.523 122.820 0.075 0.000 1.929 252 A HA 0.242 4.583 4.320 0.034 0.000 0.216 252 A C 2.681 180.268 177.584 0.004 0.000 1.176 252 A CA 1.905 53.967 52.037 0.040 0.000 0.628 252 A CB -0.884 18.143 19.000 0.045 0.000 0.816 252 A HN 0.507 nan 8.150 nan 0.000 0.444 253 G N -0.124 108.675 108.800 -0.002 0.000 2.402 253 G HA2 -0.130 3.851 3.960 0.034 0.000 0.216 253 G HA3 -0.130 3.851 3.960 0.034 0.000 0.216 253 G C 1.553 176.408 174.900 -0.076 0.000 1.162 253 G CA 1.000 46.077 45.100 -0.037 0.000 0.777 253 G HN 0.417 nan 8.290 nan 0.000 0.539 254 L N 0.638 121.829 121.223 -0.054 0.000 2.056 254 L HA -0.013 4.348 4.340 0.034 0.000 0.207 254 L C 3.426 180.253 176.870 -0.070 0.000 1.078 254 L CA 0.945 55.746 54.840 -0.065 0.000 0.749 254 L CB -0.416 41.622 42.059 -0.035 0.000 0.901 254 L HN 0.294 nan 8.230 nan 0.000 0.433 255 A N 0.314 123.107 122.820 -0.044 0.000 1.908 255 A HA -0.290 4.051 4.320 0.034 0.000 0.218 255 A C 2.343 179.883 177.584 -0.073 0.000 1.181 255 A CA 2.163 54.172 52.037 -0.045 0.000 0.627 255 A CB -0.539 18.447 19.000 -0.024 0.000 0.818 255 A HN 0.327 nan 8.150 nan 0.000 0.445 256 R N -0.111 120.337 120.500 -0.086 0.000 2.075 256 R HA 0.033 4.394 4.340 0.034 0.000 0.232 256 R C 1.907 178.073 176.300 -0.222 0.000 1.126 256 R CA 1.450 57.483 56.100 -0.112 0.000 0.963 256 R CB -0.669 29.581 30.300 -0.082 0.000 0.858 256 R HN 0.511 nan 8.270 nan 0.000 0.435 257 L N -0.418 120.634 121.223 -0.285 0.000 2.046 257 L HA -0.156 4.204 4.340 0.034 0.000 0.208 257 L C 2.262 179.019 176.870 -0.187 0.000 1.077 257 L CA 1.093 55.731 54.840 -0.337 0.000 0.747 257 L CB -0.467 41.422 42.059 -0.284 0.000 0.896 257 L HN 0.082 nan 8.230 nan 0.000 0.432 258 V N -0.100 119.740 119.914 -0.124 0.000 2.287 258 V HA -0.325 3.816 4.120 0.034 0.000 0.248 258 V C 2.704 178.756 176.094 -0.070 0.000 1.053 258 V CA 1.956 64.208 62.300 -0.080 0.000 1.027 258 V CB -0.683 31.105 31.823 -0.059 0.000 0.646 258 V HN 0.476 nan 8.190 nan 0.000 0.447 259 R N 0.155 120.611 120.500 -0.074 0.000 2.091 259 R HA -0.199 4.161 4.340 0.034 0.000 0.238 259 R C 2.308 178.585 176.300 -0.039 0.000 1.136 259 R CA 1.803 57.871 56.100 -0.053 0.000 0.959 259 R CB -0.481 29.791 30.300 -0.047 0.000 0.856 259 R HN 0.492 nan 8.270 nan 0.000 0.437 260 A N 1.074 123.860 122.820 -0.056 0.000 1.908 260 A HA -0.165 4.176 4.320 0.034 0.000 0.218 260 A C 2.168 179.747 177.584 -0.008 0.000 1.181 260 A CA 1.561 53.594 52.037 -0.007 0.000 0.627 260 A CB -0.460 18.516 19.000 -0.039 0.000 0.818 260 A HN 0.379 nan 8.150 nan 0.000 0.445 261 I N -1.256 119.292 120.570 -0.037 0.000 2.233 261 I HA -0.188 4.003 4.170 0.034 0.000 0.243 261 I C 2.186 178.294 176.117 -0.015 0.000 1.093 261 I CA 0.823 62.109 61.300 -0.023 0.000 1.380 261 I CB -0.263 37.717 38.000 -0.033 0.000 1.067 261 I HN 0.208 nan 8.210 nan 0.000 0.413 262 L N 0.421 121.631 121.223 -0.022 0.000 2.201 262 L HA -0.146 4.215 4.340 0.034 0.000 0.212 262 L C 2.483 179.345 176.870 -0.013 0.000 1.105 262 L CA 1.995 56.824 54.840 -0.018 0.000 0.775 262 L CB -0.933 41.111 42.059 -0.024 0.000 0.913 262 L HN 0.406 nan 8.230 nan 0.000 0.440 263 T N -5.437 109.110 114.554 -0.011 0.000 3.086 263 T HA 0.079 4.450 4.350 0.034 0.000 0.250 263 T C 0.677 175.379 174.700 0.002 0.000 1.074 263 T CA 0.139 62.236 62.100 -0.006 0.000 0.988 263 T CB -0.217 68.648 68.868 -0.005 0.000 0.988 263 T HN 0.192 nan 8.240 nan 0.000 0.530 264 D N 1.703 122.105 120.400 0.005 0.000 2.735 264 D HA -0.186 4.475 4.640 0.034 0.000 0.235 264 D C 0.712 177.022 176.300 0.017 0.000 1.175 264 D CA 0.835 54.841 54.000 0.010 0.000 0.683 264 D CB -1.321 39.483 40.800 0.006 0.000 1.008 264 D HN 0.759 nan 8.370 nan 0.000 0.416 265 E N 0.980 121.198 120.200 0.031 0.000 2.110 265 E HA -0.222 4.149 4.350 0.034 0.000 0.193 265 E C 0.538 177.157 176.600 0.033 0.000 0.988 265 E CA 1.197 57.622 56.400 0.041 0.000 0.804 265 E CB 0.138 29.889 29.700 0.084 0.000 0.745 265 E HN 0.290 nan 8.360 nan 0.000 0.458 266 K N -0.450 119.973 120.400 0.038 0.000 3.071 266 K HA -0.156 4.184 4.320 0.034 0.000 0.265 266 K C -0.053 176.549 176.600 0.003 0.000 1.060 266 K CA 0.883 57.182 56.287 0.019 0.000 0.767 266 K CB -2.634 29.866 32.500 -0.001 0.000 1.241 266 K HN 0.326 nan 8.250 nan 0.000 0.486 267 G N -0.187 108.641 108.800 0.048 0.000 2.507 267 G HA2 0.478 4.459 3.960 0.034 0.000 0.271 267 G HA3 0.478 4.459 3.960 0.034 0.000 0.271 267 G C -0.140 174.644 174.900 -0.195 0.000 1.189 267 G CA -0.610 44.443 45.100 -0.079 0.000 0.859 267 G HN 0.043 nan 8.290 nan 0.000 0.542 268 V N 1.366 121.012 119.914 -0.447 0.000 2.394 268 V HA 0.476 4.617 4.120 0.034 0.000 0.282 268 V C -0.923 174.783 176.094 -0.647 0.000 1.031 268 V CA -0.292 61.779 62.300 -0.383 0.000 0.881 268 V CB 0.188 31.845 31.823 -0.278 0.000 0.982 268 V HN 0.606 nan 8.190 nan 0.000 0.451 269 Y N 1.109 121.357 120.300 -0.087 0.000 2.534 269 Y HA 0.472 5.043 4.550 0.035 0.000 0.345 269 Y C 0.494 176.334 175.900 -0.100 0.000 1.031 269 Y CA -1.126 56.928 58.100 -0.077 0.000 1.022 269 Y CB 2.114 40.540 38.460 -0.056 0.000 1.292 269 Y HN 0.612 nan 8.280 nan 0.000 0.459 270 T N 0.723 115.320 114.554 0.072 0.000 2.782 270 T HA 0.590 4.961 4.350 0.034 0.000 0.298 270 T C -0.312 174.405 174.700 0.028 0.000 0.944 270 T CA -0.454 61.651 62.100 0.008 0.000 1.001 270 T CB -0.797 68.081 68.868 0.017 0.000 0.932 270 T HN 0.638 nan 8.240 nan 0.000 0.524 271 V N 0.127 120.043 119.914 0.004 0.000 3.155 271 V HA 0.877 5.018 4.120 0.034 0.000 0.313 271 V C -0.048 176.032 176.094 -0.023 0.000 1.162 271 V CA -1.202 61.090 62.300 -0.014 0.000 1.048 271 V CB 1.647 33.458 31.823 -0.020 0.000 1.092 271 V HN 0.754 nan 8.190 nan 0.000 0.447 272 S N 0.537 116.225 115.700 -0.019 0.000 2.508 272 S HA 0.895 5.386 4.470 0.034 0.000 0.284 272 S C -0.258 174.340 174.600 -0.004 0.000 1.192 272 S CA 0.353 58.547 58.200 -0.010 0.000 1.070 272 S CB 0.700 63.904 63.200 0.006 0.000 1.004 272 S HN 2.057 nan 8.310 nan 0.000 0.493 273 A N 3.331 126.145 122.820 -0.010 0.000 2.610 273 A HA 0.638 4.979 4.320 0.034 0.000 0.291 273 A C -1.129 176.452 177.584 -0.005 0.000 1.086 273 A CA -0.829 51.209 52.037 0.001 0.000 0.677 273 A CB 0.527 19.519 19.000 -0.013 0.000 1.278 273 A HN 0.942 nan 8.150 nan 0.000 0.414 274 F N 1.793 121.614 119.950 -0.214 0.000 2.578 274 F HA 0.470 5.016 4.527 0.032 0.000 0.381 274 F C 0.183 175.871 175.800 -0.188 0.000 1.069 274 F CA 1.081 58.915 58.000 -0.278 0.000 1.231 274 F CB 0.593 39.137 39.000 -0.760 0.000 1.086 274 F HN 0.407 nan 8.300 nan 0.000 0.564 275 T N 8.771 122.943 114.554 -0.638 0.000 2.809 275 T HA 0.255 4.626 4.350 0.034 0.000 0.284 275 T C -1.890 172.538 174.700 -0.453 0.000 0.992 275 T CA -1.067 60.823 62.100 -0.349 0.000 0.957 275 T CB 1.813 70.591 68.868 -0.151 0.000 0.942 275 T HN 0.344 nan 8.240 nan 0.000 0.439 276 P HA -0.058 nan 4.420 nan 0.000 0.215 276 P C 0.292 177.513 177.300 -0.131 0.000 1.157 276 P CA 1.135 64.145 63.100 -0.150 0.000 0.868 276 P CB 0.403 32.096 31.700 -0.011 0.000 0.788 277 E N -0.598 119.550 120.200 -0.088 0.000 2.311 277 E HA 0.341 4.712 4.350 0.034 0.000 0.281 277 E C -2.007 174.568 176.600 -0.042 0.000 0.905 277 E CA -0.610 55.742 56.400 -0.081 0.000 0.778 277 E CB 2.041 31.683 29.700 -0.096 0.000 1.240 277 E HN -0.284 nan 8.360 nan 0.000 0.410 278 V N 4.159 124.063 119.914 -0.017 0.000 2.569 278 V HA 0.249 4.390 4.120 0.034 0.000 0.301 278 V C 0.056 176.157 176.094 0.012 0.000 1.044 278 V CA -0.737 61.587 62.300 0.041 0.000 0.874 278 V CB 1.679 33.542 31.823 0.067 0.000 1.002 278 V HN 0.753 nan 8.190 nan 0.000 0.424 279 E N 3.451 123.660 120.200 0.014 0.000 2.494 279 E HA -0.304 4.066 4.350 0.034 0.000 0.249 279 E C 1.361 177.953 176.600 -0.012 0.000 1.184 279 E CA 1.491 57.895 56.400 0.005 0.000 0.727 279 E CB -1.347 28.365 29.700 0.021 0.000 1.281 279 E HN 1.660 nan 8.360 nan 0.000 0.405 280 G N -2.260 106.522 108.800 -0.029 0.000 2.258 280 G HA2 -0.350 3.630 3.960 0.034 0.000 0.233 280 G HA3 -0.350 3.630 3.960 0.034 0.000 0.233 280 G C 0.392 175.270 174.900 -0.036 0.000 1.006 280 G CA 0.050 45.130 45.100 -0.033 0.000 0.620 280 G HN 0.358 nan 8.290 nan 0.000 0.511 281 V N 2.421 122.315 119.914 -0.032 0.000 2.583 281 V HA 0.588 4.729 4.120 0.034 0.000 0.287 281 V C 0.789 176.850 176.094 -0.054 0.000 1.051 281 V CA -0.138 62.139 62.300 -0.039 0.000 1.010 281 V CB 1.410 33.216 31.823 -0.028 0.000 0.988 281 V HN 0.366 nan 8.190 nan 0.000 0.478 282 L N 4.628 125.815 121.223 -0.060 0.000 2.325 282 L HA 0.620 4.980 4.340 0.034 0.000 0.278 282 L C 0.285 177.100 176.870 -0.091 0.000 1.023 282 L CA -0.519 54.279 54.840 -0.070 0.000 0.811 282 L CB 1.202 43.237 42.059 -0.040 0.000 1.249 282 L HN 0.728 nan 8.230 nan 0.000 0.431 286 S N 7.092 122.768 115.700 -0.040 0.000 2.429 286 S HA 0.907 5.398 4.470 0.034 0.000 0.302 286 S C -0.790 173.814 174.600 0.006 0.000 1.115 286 S CA -0.166 58.028 58.200 -0.010 0.000 1.095 286 S CB 0.685 63.940 63.200 0.092 0.000 0.987 286 S HN 1.587 nan 8.310 nan 0.000 0.474 287 L N 1.759 122.975 121.223 -0.012 0.000 2.892 287 L HA 0.650 5.011 4.340 0.034 0.000 0.269 287 L C -1.226 175.639 176.870 -0.009 0.000 1.058 287 L CA -0.911 53.931 54.840 0.004 0.000 0.923 287 L CB 1.213 43.276 42.059 0.008 0.000 1.518 287 L HN 0.468 nan 8.230 nan 0.000 0.402 288 S N 1.514 117.217 115.700 0.006 0.000 2.499 288 S HA 0.744 5.235 4.470 0.034 0.000 0.275 288 S C -0.230 174.354 174.600 -0.028 0.000 1.257 288 S CA -0.343 57.852 58.200 -0.007 0.000 1.050 288 S CB 0.448 63.660 63.200 0.020 0.000 0.937 288 S HN 0.397 nan 8.310 nan 0.000 0.490 289 L N 3.671 124.844 121.223 -0.083 0.000 2.359 289 L HA 0.529 4.889 4.340 0.034 0.000 0.256 289 L C -2.626 174.135 176.870 -0.182 0.000 1.026 289 L CA -2.915 51.837 54.840 -0.148 0.000 0.828 289 L CB 1.989 43.891 42.059 -0.261 0.000 1.406 289 L HN 0.313 nan 8.230 nan 0.000 0.413 290 P HA 0.227 nan 4.420 nan 0.000 0.266 290 P C -1.271 175.903 177.300 -0.210 0.000 1.215 290 P CA 0.055 62.987 63.100 -0.281 0.000 0.763 290 P CB 0.441 31.888 31.700 -0.421 0.000 0.806 291 R N 2.780 123.202 120.500 -0.130 0.000 2.795 291 R HA 0.569 4.930 4.340 0.034 0.000 0.275 291 R C -0.423 175.854 176.300 -0.039 0.000 0.981 291 R CA -1.074 54.973 56.100 -0.089 0.000 0.917 291 R CB 1.840 32.103 30.300 -0.062 0.000 1.202 291 R HN 0.381 nan 8.270 nan 0.000 0.469 292 I N 2.975 123.526 120.570 -0.033 0.000 2.325 292 I HA 0.173 4.363 4.170 0.034 0.000 0.291 292 I C -0.328 175.813 176.117 0.040 0.000 1.019 292 I CA -0.325 60.971 61.300 -0.006 0.000 1.302 292 I CB 0.725 38.711 38.000 -0.023 0.000 1.401 292 I HN 0.182 nan 8.210 nan 0.000 0.485 293 L N 6.190 127.475 121.223 0.103 0.000 2.282 293 L HA 0.682 5.043 4.340 0.034 0.000 0.288 293 L C 0.481 177.393 176.870 0.071 0.000 1.033 293 L CA 0.195 55.097 54.840 0.104 0.000 0.807 293 L CB 0.936 43.099 42.059 0.174 0.000 1.209 293 L HN 0.792 nan 8.230 nan 0.000 0.423 294 G N 1.491 110.312 108.800 0.035 0.000 2.911 294 G HA2 0.486 4.466 3.960 0.034 0.000 0.299 294 G HA3 0.486 4.466 3.960 0.034 0.000 0.299 294 G C 0.430 175.337 174.900 0.011 0.000 1.283 294 G CA 0.263 45.377 45.100 0.024 0.000 0.805 294 G HN 0.528 nan 8.290 nan 0.000 0.548 295 A N -0.886 121.939 122.820 0.008 0.000 2.070 295 A HA 0.236 4.577 4.320 0.034 0.000 0.220 295 A C 2.199 179.786 177.584 0.005 0.000 1.159 295 A CA 2.288 54.327 52.037 0.004 0.000 0.656 295 A CB -0.628 18.375 19.000 0.004 0.000 0.800 295 A HN 1.422 nan 8.150 nan 0.000 0.453 296 G N -1.915 106.890 108.800 0.009 0.000 3.088 296 G HA2 0.427 4.408 3.960 0.034 0.000 0.212 296 G HA3 0.427 4.408 3.960 0.034 0.000 0.212 296 G C 1.056 175.963 174.900 0.012 0.000 1.173 296 G CA 0.633 45.740 45.100 0.011 0.000 0.779 296 G HN 1.477 nan 8.290 nan 0.000 0.540 297 G N -0.562 108.243 108.800 0.007 0.000 2.527 297 G HA2 -0.244 3.737 3.960 0.034 0.000 0.262 297 G HA3 -0.244 3.737 3.960 0.034 0.000 0.262 297 G C -0.010 174.896 174.900 0.010 0.000 1.153 297 G CA -0.065 45.038 45.100 0.005 0.000 0.954 297 G HN 0.755 nan 8.290 nan 0.000 0.552 298 V N 2.580 122.500 119.914 0.010 0.000 2.427 298 V HA 0.494 4.635 4.120 0.034 0.000 0.268 298 V C 0.620 176.720 176.094 0.009 0.000 1.046 298 V CA 0.556 62.861 62.300 0.007 0.000 0.970 298 V CB 0.818 32.639 31.823 -0.002 0.000 1.001 298 V HN 0.640 nan 8.190 nan 0.000 0.476 302 T N 0.370 114.884 114.554 -0.067 0.000 2.861 302 T HA 0.630 5.001 4.350 0.034 0.000 0.287 302 T C -0.467 174.099 174.700 -0.222 0.000 1.003 302 T CA -0.485 61.501 62.100 -0.190 0.000 0.977 302 T CB 1.972 70.684 68.868 -0.261 0.000 0.996 302 T HN 0.572 nan 8.240 nan 0.000 0.448 303 V N 3.570 123.294 119.914 -0.317 0.000 2.417 303 V HA 0.374 4.515 4.120 0.034 0.000 0.291 303 V C -1.194 174.681 176.094 -0.366 0.000 1.024 303 V CA -0.899 61.272 62.300 -0.215 0.000 0.861 303 V CB 0.809 32.533 31.823 -0.165 0.000 0.985 303 V HN 0.825 nan 8.190 nan 0.000 0.436 304 Y N 6.498 126.781 120.300 -0.028 0.000 2.594 304 Y HA 0.438 5.009 4.550 0.034 0.000 0.342 304 Y C -1.180 174.723 175.900 0.005 0.000 1.010 304 Y CA -2.377 55.716 58.100 -0.012 0.000 1.270 304 Y CB 0.066 38.521 38.460 -0.008 0.000 1.125 304 Y HN 0.538 nan 8.280 nan 0.000 0.513 305 P HA 0.084 nan 4.420 nan 0.000 0.293 305 P C -0.376 177.005 177.300 0.134 0.000 1.298 305 P CA -0.590 62.569 63.100 0.098 0.000 0.757 305 P CB 0.909 32.678 31.700 0.115 0.000 1.262 306 S N -0.432 115.357 115.700 0.149 0.000 2.399 306 S HA 0.455 4.946 4.470 0.034 0.000 0.301 306 S C -0.362 174.310 174.600 0.120 0.000 1.093 306 S CA -0.647 57.624 58.200 0.117 0.000 1.077 306 S CB -1.296 61.967 63.200 0.105 0.000 0.980 306 S HN 0.221 nan 8.310 nan 0.000 0.494 307 L N 3.907 125.188 121.223 0.097 0.000 2.381 307 L HA 0.528 4.889 4.340 0.034 0.000 0.268 307 L C 0.523 177.432 176.870 0.065 0.000 0.997 307 L CA -0.926 53.965 54.840 0.085 0.000 0.818 307 L CB 2.310 44.424 42.059 0.092 0.000 1.310 307 L HN 0.686 nan 8.230 nan 0.000 0.416 308 S N 1.306 117.042 115.700 0.061 0.000 2.600 308 S HA 0.279 4.769 4.470 0.034 0.000 0.265 308 S C -1.972 172.654 174.600 0.044 0.000 1.325 308 S CA -0.900 57.330 58.200 0.050 0.000 1.002 308 S CB 1.022 64.253 63.200 0.052 0.000 0.921 308 S HN 0.442 nan 8.310 nan 0.000 0.554 309 P HA -0.067 nan 4.420 nan 0.000 0.216 309 P C 1.008 178.325 177.300 0.027 0.000 1.150 309 P CA 1.242 64.358 63.100 0.027 0.000 0.837 309 P CB -0.014 31.697 31.700 0.020 0.000 0.786 310 E N 0.092 120.308 120.200 0.028 0.000 2.031 310 E HA -0.180 4.191 4.350 0.034 0.000 0.193 310 E C 1.989 178.612 176.600 0.037 0.000 0.994 310 E CA 1.285 57.702 56.400 0.027 0.000 0.800 310 E CB -0.997 28.717 29.700 0.023 0.000 0.752 310 E HN 0.384 nan 8.360 nan 0.000 0.447 311 E N 0.406 120.636 120.200 0.050 0.000 2.070 311 E HA -0.244 4.127 4.350 0.034 0.000 0.197 311 E C 2.206 178.837 176.600 0.052 0.000 1.004 311 E CA 1.208 57.642 56.400 0.057 0.000 0.805 311 E CB -0.136 29.604 29.700 0.066 0.000 0.744 311 E HN 0.084 nan 8.360 nan 0.000 0.451 312 R N 0.835 121.365 120.500 0.050 0.000 2.083 312 R HA -0.237 4.124 4.340 0.034 0.000 0.237 312 R C 2.326 178.648 176.300 0.037 0.000 1.137 312 R CA 1.904 58.033 56.100 0.047 0.000 0.951 312 R CB -0.072 30.253 30.300 0.042 0.000 0.851 312 R HN 0.014 nan 8.270 nan 0.000 0.434 313 E N 0.259 120.477 120.200 0.029 0.000 2.077 313 E HA -0.124 4.246 4.350 0.034 0.000 0.193 313 E C 1.644 178.257 176.600 0.023 0.000 0.989 313 E CA 1.725 58.138 56.400 0.022 0.000 0.800 313 E CB -0.260 29.450 29.700 0.017 0.000 0.746 313 E HN 0.428 nan 8.360 nan 0.000 0.452 314 A N 0.434 123.270 122.820 0.027 0.000 1.933 314 A HA -0.119 4.221 4.320 0.034 0.000 0.218 314 A C 2.178 179.780 177.584 0.029 0.000 1.175 314 A CA 1.491 53.544 52.037 0.026 0.000 0.628 314 A CB -0.749 18.268 19.000 0.029 0.000 0.814 314 A HN 0.391 nan 8.150 nan 0.000 0.444 315 L N -0.188 121.058 121.223 0.037 0.000 2.056 315 L HA -0.072 4.289 4.340 0.034 0.000 0.207 315 L C 2.401 179.290 176.870 0.033 0.000 1.078 315 L CA 2.172 57.037 54.840 0.042 0.000 0.749 315 L CB -0.664 41.430 42.059 0.058 0.000 0.901 315 L HN 0.464 nan 8.230 nan 0.000 0.433 316 R N -0.649 119.868 120.500 0.028 0.000 2.081 316 R HA -0.156 4.205 4.340 0.034 0.000 0.235 316 R C 2.394 178.703 176.300 0.014 0.000 1.131 316 R CA 1.601 57.712 56.100 0.019 0.000 0.960 316 R CB -0.130 30.178 30.300 0.014 0.000 0.856 316 R HN 0.367 nan 8.270 nan 0.000 0.436 317 R N -0.565 119.945 120.500 0.016 0.000 2.092 317 R HA -0.073 4.288 4.340 0.034 0.000 0.231 317 R C 2.513 178.823 176.300 0.016 0.000 1.119 317 R CA 1.460 57.568 56.100 0.014 0.000 0.970 317 R CB -0.334 29.974 30.300 0.013 0.000 0.864 317 R HN 0.162 nan 8.270 nan 0.000 0.440 318 S N 0.588 116.300 115.700 0.020 0.000 2.355 318 S HA -0.104 4.387 4.470 0.034 0.000 0.222 318 S C 2.078 176.692 174.600 0.023 0.000 1.031 318 S CA 1.150 59.363 58.200 0.023 0.000 0.993 318 S CB -0.094 63.122 63.200 0.026 0.000 0.859 318 S HN 0.438 nan 8.310 nan 0.000 0.453 319 A N 1.487 124.319 122.820 0.021 0.000 1.933 319 A HA -0.085 4.255 4.320 0.034 0.000 0.218 319 A C 2.085 179.677 177.584 0.014 0.000 1.175 319 A CA 1.514 53.560 52.037 0.015 0.000 0.628 319 A CB -0.553 18.453 19.000 0.010 0.000 0.814 319 A HN 0.551 nan 8.150 nan 0.000 0.444 320 E N -0.036 120.171 120.200 0.012 0.000 2.072 320 E HA -0.123 4.247 4.350 0.034 0.000 0.191 320 E C 1.992 178.606 176.600 0.022 0.000 0.985 320 E CA 0.993 57.399 56.400 0.009 0.000 0.801 320 E CB -0.393 29.309 29.700 0.004 0.000 0.750 320 E HN 0.737 nan 8.360 nan 0.000 0.452 321 I N 0.995 121.581 120.570 0.026 0.000 2.208 321 I HA -0.285 3.906 4.170 0.034 0.000 0.245 321 I C 2.448 178.593 176.117 0.047 0.000 1.097 321 I CA 0.983 62.303 61.300 0.034 0.000 1.363 321 I CB -0.249 37.769 38.000 0.029 0.000 1.051 321 I HN 0.050 nan 8.210 nan 0.000 0.413 322 L N 0.224 121.474 121.223 0.046 0.000 2.093 322 L HA -0.188 4.173 4.340 0.034 0.000 0.208 322 L C 2.579 179.498 176.870 0.082 0.000 1.085 322 L CA 0.931 55.807 54.840 0.060 0.000 0.755 322 L CB -0.524 41.564 42.059 0.049 0.000 0.904 322 L HN 0.149 nan 8.230 nan 0.000 0.435 323 K N 0.528 120.967 120.400 0.065 0.000 2.026 323 K HA -0.175 4.166 4.320 0.034 0.000 0.208 323 K C 1.993 178.670 176.600 0.128 0.000 1.048 323 K CA 1.518 57.853 56.287 0.079 0.000 0.929 323 K CB -0.128 32.386 32.500 0.022 0.000 0.713 323 K HN 0.133 nan 8.250 nan 0.000 0.439 324 E N 0.012 120.273 120.200 0.101 0.000 2.150 324 E HA -0.072 4.299 4.350 0.034 0.000 0.193 324 E C 1.946 178.648 176.600 0.170 0.000 0.985 324 E CA 1.090 57.574 56.400 0.141 0.000 0.814 324 E CB -0.300 29.453 29.700 0.089 0.000 0.752 324 E HN 0.402 nan 8.360 nan 0.000 0.466 325 A N 1.613 124.511 122.820 0.130 0.000 1.898 325 A HA -0.057 4.284 4.320 0.034 0.000 0.216 325 A C 2.425 180.105 177.584 0.160 0.000 1.181 325 A CA 1.945 54.055 52.037 0.121 0.000 0.620 325 A CB -0.528 18.526 19.000 0.091 0.000 0.819 325 A HN 0.264 nan 8.150 nan 0.000 0.442 326 A N -1.192 121.748 122.820 0.200 0.000 1.855 326 A HA -0.027 4.314 4.320 0.034 0.000 0.215 326 A C 2.060 179.806 177.584 0.271 0.000 1.191 326 A CA 1.596 53.794 52.037 0.269 0.000 0.613 326 A CB -0.786 18.389 19.000 0.292 0.000 0.829 326 A HN 0.634 nan 8.150 nan 0.000 0.442 327 F N 1.133 121.150 119.950 0.111 0.000 2.161 327 F HA -0.091 4.458 4.527 0.037 0.000 0.300 327 F C 2.465 178.280 175.800 0.026 0.000 1.089 327 F CA 1.032 59.073 58.000 0.069 0.000 1.282 327 F CB -0.379 38.656 39.000 0.058 0.000 1.010 327 F HN 0.237 nan 8.300 nan 0.000 0.485 328 A N -0.066 122.794 122.820 0.065 0.000 2.070 328 A HA -0.106 4.235 4.320 0.034 0.000 0.220 328 A C 2.115 179.619 177.584 -0.132 0.000 1.159 328 A CA 1.551 53.561 52.037 -0.045 0.000 0.656 328 A CB -0.938 18.091 19.000 0.048 0.000 0.800 328 A HN 0.487 nan 8.150 nan 0.000 0.453 329 L N -1.632 119.531 121.223 -0.100 0.000 2.607 329 L HA 0.229 4.589 4.340 0.034 0.000 0.228 329 L C 1.448 178.026 176.870 -0.487 0.000 1.123 329 L CA 0.472 55.209 54.840 -0.172 0.000 0.890 329 L CB -0.075 42.026 42.059 0.070 0.000 1.103 329 L HN 0.556 nan 8.230 nan 0.000 0.468 330 G N 0.256 108.783 108.800 -0.455 0.000 2.182 330 G HA2 -0.278 3.703 3.960 0.034 0.000 0.248 330 G HA3 -0.278 3.703 3.960 0.034 0.000 0.248 330 G C -0.211 174.396 174.900 -0.489 0.000 1.042 330 G CA -0.157 44.625 45.100 -0.529 0.000 0.775 330 G HN 0.137 nan 8.290 nan 0.000 0.501 331 F N 0.000 119.970 119.950 0.034 0.000 2.286 331 F HA 0.000 4.537 4.527 0.016 0.000 0.279 331 F CA 0.000 58.064 58.000 0.107 0.000 1.383 331 F CB 0.000 39.062 39.000 0.104 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574