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_A 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 0.000 176.319 176.300 0.032 0.000 1.140 22 M CA 0.000 55.314 55.300 0.023 0.000 0.988 22 M CB 0.000 32.604 32.600 0.007 0.000 1.302 23 K N 1.895 122.311 120.400 0.026 0.000 2.270 23 K HA 0.802 5.122 4.320 0.001 0.000 0.255 23 K C -1.832 174.775 176.600 0.011 0.000 0.936 23 K CA -0.536 55.768 56.287 0.029 0.000 0.809 23 K CB 2.057 34.574 32.500 0.028 0.000 1.131 23 K HN 0.571 nan 8.250 nan 0.000 0.427 24 V N 2.529 122.447 119.914 0.008 0.000 2.459 24 V HA 0.484 4.605 4.120 0.001 0.000 0.295 24 V C 0.365 176.450 176.094 -0.014 0.000 1.029 24 V CA -0.810 61.486 62.300 -0.007 0.000 0.874 24 V CB 1.601 33.417 31.823 -0.011 0.000 0.985 24 V HN 0.934 nan 8.190 nan 0.000 0.438 25 G N 4.221 113.004 108.800 -0.027 0.000 2.367 25 G HA2 0.729 4.690 3.960 0.001 0.000 0.314 25 G HA3 0.729 4.690 3.960 0.001 0.000 0.314 25 G C -0.886 173.978 174.900 -0.060 0.000 1.130 25 G CA -0.468 44.602 45.100 -0.048 0.000 0.864 25 G HN 0.614 nan 8.290 nan 0.000 0.486 26 I N 1.771 122.295 120.570 -0.076 0.000 2.418 26 I HA 0.227 4.398 4.170 0.001 0.000 0.287 26 I C -0.537 175.508 176.117 -0.121 0.000 1.008 26 I CA -0.887 60.364 61.300 -0.081 0.000 1.104 26 I CB 2.363 40.324 38.000 -0.065 0.000 1.264 26 I HN 0.053 nan 8.210 nan 0.000 0.438 27 V N 5.249 125.090 119.914 -0.123 0.000 2.350 27 V HA 0.732 4.852 4.120 0.001 0.000 0.276 27 V C 0.502 176.543 176.094 -0.090 0.000 1.028 27 V CA -0.399 61.806 62.300 -0.159 0.000 0.860 27 V CB 0.903 32.629 31.823 -0.161 0.000 0.990 27 V HN 1.053 nan 8.190 nan 0.000 0.453 28 G N 3.490 112.240 108.800 -0.084 0.000 2.860 28 G HA2 -0.143 3.818 3.960 0.001 0.000 0.547 28 G HA3 -0.143 3.818 3.960 0.001 0.000 0.547 28 G C -0.005 174.856 174.900 -0.065 0.000 1.103 28 G CA -0.054 45.022 45.100 -0.041 0.000 1.126 28 G HN 0.933 nan 8.290 nan 0.000 0.490 29 S N 1.393 117.056 115.700 -0.062 0.000 2.704 29 S HA 0.580 5.050 4.470 0.001 0.000 0.241 29 S C 1.495 176.032 174.600 -0.106 0.000 1.264 29 S CA 0.866 59.008 58.200 -0.096 0.000 1.236 29 S CB -0.611 62.568 63.200 -0.034 0.000 0.928 29 S HN 1.563 nan 8.310 nan 0.000 0.492 30 G N 1.765 110.500 108.800 -0.108 0.000 2.666 30 G HA2 0.306 4.266 3.960 0.001 0.000 0.207 30 G HA3 0.306 4.266 3.960 0.001 0.000 0.207 30 G C 1.096 175.858 174.900 -0.230 0.000 1.481 30 G CA -0.316 44.723 45.100 -0.101 0.000 1.071 30 G HN 0.377 nan 8.290 nan 0.000 0.572 31 M N -0.672 118.797 119.600 -0.218 0.000 2.086 31 M HA -0.057 4.423 4.480 0.001 0.000 0.261 31 M C 2.706 178.833 176.300 -0.288 0.000 1.067 31 M CA 0.914 55.974 55.300 -0.400 0.000 1.116 31 M CB -1.570 30.764 32.600 -0.443 0.000 1.348 31 M HN 0.192 nan 8.290 nan 0.000 0.407 32 V N 0.124 119.968 119.914 -0.117 0.000 2.270 32 V HA -0.146 3.974 4.120 0.001 0.000 0.245 32 V C 2.646 178.698 176.094 -0.070 0.000 1.043 32 V CA 2.044 64.322 62.300 -0.036 0.000 1.014 32 V CB -1.759 30.066 31.823 0.004 0.000 0.645 32 V HN 0.553 nan 8.190 nan 0.000 0.447 33 G N 0.328 109.069 108.800 -0.099 0.000 2.476 33 G HA2 -0.329 3.631 3.960 0.001 0.000 0.218 33 G HA3 -0.329 3.631 3.960 0.001 0.000 0.218 33 G C 1.905 176.712 174.900 -0.156 0.000 1.164 33 G CA 1.674 46.709 45.100 -0.109 0.000 0.768 33 G HN 0.644 nan 8.290 nan 0.000 0.560 34 S N 0.940 116.459 115.700 -0.302 0.000 2.387 34 S HA 0.270 4.740 4.470 0.001 0.000 0.226 34 S C 2.589 177.096 174.600 -0.155 0.000 1.026 34 S CA 1.355 59.320 58.200 -0.392 0.000 0.972 34 S CB -0.360 62.194 63.200 -1.075 0.000 0.814 34 S HN 0.607 nan 8.310 nan 0.000 0.477 35 A N 1.625 124.380 122.820 -0.110 0.000 1.969 35 A HA 0.018 4.339 4.320 0.001 0.000 0.218 35 A C 2.367 180.042 177.584 0.152 0.000 1.169 35 A CA 1.923 54.016 52.037 0.093 0.000 0.635 35 A CB -1.530 17.546 19.000 0.126 0.000 0.810 35 A HN 0.572 nan 8.150 nan 0.000 0.445 36 T N 0.278 114.869 114.554 0.060 0.000 2.737 36 T HA 0.003 4.354 4.350 0.001 0.000 0.265 36 T C 2.256 176.988 174.700 0.054 0.000 1.038 36 T CA 1.495 63.625 62.100 0.049 0.000 1.144 36 T CB -0.442 68.430 68.868 0.006 0.000 0.866 36 T HN 0.582 nan 8.240 nan 0.000 0.434 37 A N 0.461 123.305 122.820 0.040 0.000 1.940 37 A HA -0.122 4.198 4.320 0.001 0.000 0.219 37 A C 2.106 179.767 177.584 0.129 0.000 1.176 37 A CA 1.513 53.582 52.037 0.053 0.000 0.631 37 A CB -0.925 18.089 19.000 0.023 0.000 0.814 37 A HN 0.574 nan 8.150 nan 0.000 0.446 38 Y N 0.449 120.758 120.300 0.015 0.000 2.220 38 Y HA 0.026 4.577 4.550 0.001 0.000 0.291 38 Y C 2.649 178.583 175.900 0.057 0.000 1.129 38 Y CA 0.821 58.950 58.100 0.048 0.000 1.161 38 Y CB -0.667 37.839 38.460 0.076 0.000 0.997 38 Y HN 0.301 nan 8.280 nan 0.000 0.522 39 A N 0.374 123.235 122.820 0.069 0.000 1.877 39 A HA -0.164 4.157 4.320 0.001 0.000 0.216 39 A C 2.333 179.893 177.584 -0.039 0.000 1.186 39 A CA 1.844 53.865 52.037 -0.028 0.000 0.620 39 A CB -1.193 17.830 19.000 0.038 0.000 0.822 39 A HN 0.524 nan 8.150 nan 0.000 0.443 40 L N -0.799 120.421 121.223 -0.005 0.000 2.042 40 L HA -0.250 4.091 4.340 0.001 0.000 0.210 40 L C 3.114 179.975 176.870 -0.015 0.000 1.076 40 L CA 1.198 56.030 54.840 -0.014 0.000 0.749 40 L CB -0.658 41.399 42.059 -0.004 0.000 0.893 40 L HN 0.469 nan 8.230 nan 0.000 0.432 41 A N 0.224 123.042 122.820 -0.004 0.000 1.858 41 A HA -0.154 4.166 4.320 0.001 0.000 0.216 41 A C 2.224 179.820 177.584 0.019 0.000 1.190 41 A CA 1.396 53.440 52.037 0.011 0.000 0.617 41 A CB -0.766 18.259 19.000 0.043 0.000 0.827 41 A HN 0.349 nan 8.150 nan 0.000 0.443 42 L N -0.710 120.462 121.223 -0.086 0.000 2.131 42 L HA -0.095 4.245 4.340 0.001 0.000 0.210 42 L C 1.942 178.867 176.870 0.093 0.000 1.092 42 L CA 0.774 55.566 54.840 -0.080 0.000 0.759 42 L CB -0.370 41.519 42.059 -0.283 0.000 0.903 42 L HN 0.351 nan 8.230 nan 0.000 0.435 43 L N -0.422 120.827 121.223 0.044 0.000 2.592 43 L HA 0.181 4.521 4.340 0.001 0.000 0.227 43 L C 1.307 178.100 176.870 -0.128 0.000 1.127 43 L CA 0.185 55.042 54.840 0.028 0.000 0.884 43 L CB -0.424 41.619 42.059 -0.027 0.000 1.065 43 L HN 0.412 nan 8.230 nan 0.000 0.457 44 G N 0.502 109.251 108.800 -0.085 0.000 2.341 44 G HA2 -0.264 3.696 3.960 0.001 0.000 0.292 44 G HA3 -0.264 3.696 3.960 0.001 0.000 0.292 44 G C 0.812 175.564 174.900 -0.247 0.000 1.021 44 G CA 0.516 45.408 45.100 -0.347 0.000 0.905 44 G HN 0.191 nan 8.290 nan 0.000 0.508 45 V N -0.605 119.230 119.914 -0.131 0.000 2.358 45 V HA 0.262 4.383 4.120 0.001 0.000 0.246 45 V C 1.891 177.940 176.094 -0.075 0.000 1.047 45 V CA 2.473 64.716 62.300 -0.096 0.000 1.035 45 V CB -0.448 31.337 31.823 -0.062 0.000 0.658 45 V HN 1.373 nan 8.190 nan 0.000 0.452 46 A N -0.990 121.796 122.820 -0.057 0.000 2.413 46 A HA 0.696 5.017 4.320 0.001 0.000 0.307 46 A C 0.630 178.196 177.584 -0.031 0.000 1.087 46 A CA -0.593 51.424 52.037 -0.033 0.000 0.750 46 A CB 1.474 20.467 19.000 -0.013 0.000 1.296 46 A HN 0.060 nan 8.150 nan 0.000 0.423 47 R N 0.224 120.720 120.500 -0.007 0.000 2.236 47 R HA 0.095 4.435 4.340 0.001 0.000 0.208 47 R C 0.200 176.537 176.300 0.061 0.000 1.036 47 R CA 1.687 57.784 56.100 -0.004 0.000 1.001 47 R CB 0.061 30.387 30.300 0.042 0.000 0.896 47 R HN 0.770 nan 8.270 nan 0.000 0.464 48 E N -0.616 119.641 120.200 0.095 0.000 2.291 48 E HA 0.335 4.685 4.350 0.001 0.000 0.276 48 E C -1.735 174.917 176.600 0.085 0.000 0.896 48 E CA -0.762 55.732 56.400 0.157 0.000 0.774 48 E CB 1.836 31.656 29.700 0.200 0.000 1.227 48 E HN -0.081 nan 8.360 nan 0.000 0.413 49 V N 4.238 124.203 119.914 0.084 0.000 2.531 49 V HA 0.425 4.546 4.120 0.001 0.000 0.301 49 V C -0.612 175.505 176.094 0.040 0.000 1.034 49 V CA -0.786 61.540 62.300 0.044 0.000 0.865 49 V CB 1.790 33.634 31.823 0.035 0.000 0.995 49 V HN 0.534 nan 8.190 nan 0.000 0.424 50 V N 6.455 126.374 119.914 0.009 0.000 2.409 50 V HA 0.492 4.613 4.120 0.001 0.000 0.291 50 V C -0.278 175.790 176.094 -0.043 0.000 1.020 50 V CA -0.457 61.837 62.300 -0.011 0.000 0.848 50 V CB 1.716 33.526 31.823 -0.022 0.000 0.990 50 V HN 0.647 nan 8.190 nan 0.000 0.430 51 L N 5.628 126.827 121.223 -0.041 0.000 2.282 51 L HA 0.639 4.979 4.340 0.001 0.000 0.288 51 L C -0.624 176.189 176.870 -0.095 0.000 1.033 51 L CA -0.606 54.196 54.840 -0.063 0.000 0.807 51 L CB 1.847 43.886 42.059 -0.033 0.000 1.209 51 L HN 0.350 nan 8.230 nan 0.000 0.423 52 V N 2.706 122.529 119.914 -0.153 0.000 2.444 52 V HA 0.477 4.597 4.120 0.001 0.000 0.294 52 V C -0.663 175.320 176.094 -0.186 0.000 1.022 52 V CA -0.506 61.654 62.300 -0.232 0.000 0.850 52 V CB 1.835 33.375 31.823 -0.472 0.000 0.992 52 V HN 0.700 nan 8.190 nan 0.000 0.426 53 D N 2.844 123.178 120.400 -0.110 0.000 2.756 53 D HA 0.391 5.031 4.640 0.001 0.000 0.226 53 D C 0.825 177.124 176.300 -0.001 0.000 1.186 53 D CA -0.589 53.384 54.000 -0.046 0.000 0.845 53 D CB 2.778 43.568 40.800 -0.016 0.000 1.610 53 D HN 0.294 nan 8.370 nan 0.000 0.465 54 L N 0.647 121.891 121.223 0.035 0.000 2.043 54 L HA -0.158 4.182 4.340 0.001 0.000 0.212 54 L C 1.097 177.986 176.870 0.032 0.000 1.075 54 L CA 1.210 56.081 54.840 0.052 0.000 0.752 54 L CB -0.165 41.927 42.059 0.056 0.000 0.891 54 L HN 0.377 nan 8.230 nan 0.000 0.432 55 D N -0.193 120.220 120.400 0.022 0.000 2.453 55 D HA 0.022 4.663 4.640 0.001 0.000 0.223 55 D C 1.169 177.474 176.300 0.009 0.000 1.183 55 D CA -0.098 53.910 54.000 0.015 0.000 0.933 55 D CB 1.048 41.856 40.800 0.014 0.000 1.038 55 D HN -0.075 nan 8.370 nan 0.000 0.513 56 R N 2.423 122.927 120.500 0.007 0.000 2.096 56 R HA -0.132 4.209 4.340 0.001 0.000 0.235 56 R C 1.782 178.081 176.300 -0.002 0.000 1.127 56 R CA 1.449 57.550 56.100 0.001 0.000 0.968 56 R CB -0.092 30.210 30.300 0.003 0.000 0.861 56 R HN 0.073 nan 8.270 nan 0.000 0.440 57 K N 0.176 120.573 120.400 -0.005 0.000 2.097 57 K HA -0.049 4.272 4.320 0.001 0.000 0.206 57 K C 1.996 178.581 176.600 -0.025 0.000 1.049 57 K CA 1.170 57.449 56.287 -0.014 0.000 0.933 57 K CB -0.899 31.592 32.500 -0.015 0.000 0.717 57 K HN 0.352 nan 8.250 nan 0.000 0.442 58 L N 0.747 121.960 121.223 -0.017 0.000 2.056 58 L HA 0.083 4.424 4.340 0.001 0.000 0.207 58 L C 2.311 179.196 176.870 0.025 0.000 1.078 58 L CA 2.210 57.038 54.840 -0.020 0.000 0.749 58 L CB -0.939 41.128 42.059 0.013 0.000 0.901 58 L HN 0.207 nan 8.230 nan 0.000 0.433 59 A N -1.140 121.704 122.820 0.040 0.000 1.930 59 A HA -0.239 4.082 4.320 0.001 0.000 0.217 59 A C 2.278 179.884 177.584 0.036 0.000 1.175 59 A CA 1.722 53.792 52.037 0.055 0.000 0.627 59 A CB -0.577 18.427 19.000 0.007 0.000 0.815 59 A HN 0.637 nan 8.150 nan 0.000 0.443 60 Q N -0.816 118.986 119.800 0.004 0.000 2.079 60 Q HA -0.044 4.297 4.340 0.001 0.000 0.200 60 Q C 2.329 178.313 176.000 -0.028 0.000 0.974 60 Q CA 1.436 57.234 55.803 -0.008 0.000 0.840 60 Q CB -0.323 28.408 28.738 -0.011 0.000 0.898 60 Q HN 0.675 nan 8.270 nan 0.000 0.430 61 A N -0.051 122.734 122.820 -0.059 0.000 1.898 61 A HA -0.210 4.111 4.320 0.001 0.000 0.216 61 A C 1.744 179.242 177.584 -0.144 0.000 1.181 61 A CA 1.405 53.371 52.037 -0.117 0.000 0.620 61 A CB -0.665 18.230 19.000 -0.174 0.000 0.819 61 A HN 0.391 nan 8.150 nan 0.000 0.442 62 H N -0.448 118.581 119.070 -0.069 0.000 2.389 62 H HA 0.023 4.579 4.556 0.001 0.000 0.299 62 H C 2.539 177.821 175.328 -0.076 0.000 1.081 62 H CA 1.360 57.361 56.048 -0.078 0.000 1.345 62 H CB -0.370 29.349 29.762 -0.072 0.000 1.393 62 H HN 0.506 nan 8.280 nan 0.000 0.520 63 A N 1.004 123.860 122.820 0.061 0.000 1.898 63 A HA -0.142 4.178 4.320 0.001 0.000 0.216 63 A C 2.342 179.888 177.584 -0.065 0.000 1.181 63 A CA 1.365 53.411 52.037 0.016 0.000 0.620 63 A CB -0.266 18.745 19.000 0.019 0.000 0.819 63 A HN 0.427 nan 8.150 nan 0.000 0.442 64 E N -0.504 119.617 120.200 -0.131 0.000 2.031 64 E HA -0.229 4.122 4.350 0.001 0.000 0.193 64 E C 1.749 177.952 176.600 -0.662 0.000 0.994 64 E CA 1.228 57.417 56.400 -0.352 0.000 0.800 64 E CB -0.225 29.339 29.700 -0.228 0.000 0.752 64 E HN 0.568 nan 8.360 nan 0.000 0.447 65 D N 0.638 120.844 120.400 -0.323 0.000 2.133 65 D HA -0.152 4.488 4.640 0.001 0.000 0.195 65 D C 1.830 178.085 176.300 -0.074 0.000 0.997 65 D CA 1.025 54.917 54.000 -0.180 0.000 0.840 65 D CB -0.066 40.688 40.800 -0.076 0.000 0.947 65 D HN 0.137 nan 8.370 nan 0.000 0.452 66 I N -0.273 120.286 120.570 -0.018 0.000 2.333 66 I HA -0.154 4.016 4.170 0.001 0.000 0.246 66 I C 2.311 178.488 176.117 0.100 0.000 1.106 66 I CA 0.150 61.523 61.300 0.120 0.000 1.411 66 I CB -0.139 37.954 38.000 0.155 0.000 1.082 66 I HN 0.062 nan 8.210 nan 0.000 0.420 67 L N 0.937 122.161 121.223 0.001 0.000 2.051 67 L HA -0.304 4.037 4.340 0.001 0.000 0.214 67 L C 2.340 179.294 176.870 0.140 0.000 1.076 67 L CA 2.176 57.042 54.840 0.042 0.000 0.758 67 L CB -0.885 41.187 42.059 0.022 0.000 0.890 67 L HN 0.317 nan 8.230 nan 0.000 0.433 68 H N -1.573 117.554 119.070 0.094 0.000 2.546 68 H HA 0.112 4.668 4.556 0.001 0.000 0.277 68 H C 2.036 177.459 175.328 0.158 0.000 1.004 68 H CA 0.305 56.405 56.048 0.088 0.000 1.231 68 H CB 0.069 29.891 29.762 0.101 0.000 1.382 68 H HN 0.544 nan 8.280 nan 0.000 0.580 69 A N 0.784 123.802 122.820 0.331 0.000 2.067 69 A HA -0.123 4.197 4.320 0.001 0.000 0.217 69 A C 2.486 180.226 177.584 0.260 0.000 1.156 69 A CA 1.287 53.578 52.037 0.424 0.000 0.683 69 A CB -0.634 18.620 19.000 0.422 0.000 0.808 69 A HN 0.503 nan 8.150 nan 0.000 0.455 70 T N -2.029 112.584 114.554 0.099 0.000 2.867 70 T HA -0.035 4.315 4.350 0.001 0.000 0.268 70 T C -0.398 174.241 174.700 -0.102 0.000 1.057 70 T CA 1.209 63.309 62.100 -0.001 0.000 1.136 70 T CB -1.476 67.367 68.868 -0.042 0.000 0.874 70 T HN 0.328 nan 8.240 nan 0.000 0.466 71 P HA 0.029 nan 4.420 nan 0.000 0.223 71 P C 0.576 177.659 177.300 -0.363 0.000 1.144 71 P CA 0.728 63.624 63.100 -0.340 0.000 0.783 71 P CB -0.346 31.067 31.700 -0.478 0.000 0.771 72 F N -1.834 118.087 119.950 -0.048 0.000 2.789 72 F HA 0.294 4.822 4.527 0.001 0.000 0.300 72 F C 1.794 177.513 175.800 -0.134 0.000 1.132 72 F CA 0.260 58.219 58.000 -0.067 0.000 1.404 72 F CB -0.480 38.501 39.000 -0.033 0.000 1.114 72 F HN -0.062 nan 8.300 nan 0.000 0.584 73 A N -1.625 121.169 122.820 -0.044 0.000 2.218 73 A HA 0.427 4.747 4.320 0.001 0.000 0.198 73 A C -0.214 177.078 177.584 -0.487 0.000 1.857 73 A CA -0.224 51.645 52.037 -0.280 0.000 1.620 73 A CB 0.479 19.376 19.000 -0.171 0.000 1.424 73 A HN 0.106 nan 8.150 nan 0.000 0.562 74 H N -0.001 119.037 119.070 -0.053 0.000 2.731 74 H HA 0.442 4.999 4.556 0.001 0.000 0.368 74 H C -2.743 172.502 175.328 -0.139 0.000 1.168 74 H CA -2.042 53.954 56.048 -0.086 0.000 1.181 74 H CB 1.176 30.890 29.762 -0.080 0.000 1.743 74 H HN 0.274 nan 8.280 nan 0.000 0.547 75 P HA 0.057 nan 4.420 nan 0.000 0.264 75 P C -0.571 176.554 177.300 -0.292 0.000 1.229 75 P CA 0.087 63.041 63.100 -0.243 0.000 0.780 75 P CB 0.340 31.886 31.700 -0.256 0.000 0.808 76 V N 4.487 124.190 119.914 -0.352 0.000 2.668 76 V HA 0.243 4.363 4.120 0.001 0.000 0.304 76 V C -0.612 175.301 176.094 -0.301 0.000 1.071 76 V CA -0.646 61.490 62.300 -0.272 0.000 0.894 76 V CB 1.837 33.609 31.823 -0.084 0.000 1.008 76 V HN 0.452 nan 8.190 nan 0.000 0.425 77 W N 4.148 125.459 121.300 0.018 0.000 2.507 77 W HA 0.519 5.179 4.660 0.000 0.000 0.334 77 W C -0.075 176.451 176.519 0.011 0.000 1.165 77 W CA -0.603 56.751 57.345 0.014 0.000 1.460 77 W CB 0.852 30.316 29.460 0.007 0.000 1.404 77 W HN 0.343 nan 8.180 nan 0.000 0.435 78 V N 5.477 125.512 119.914 0.203 0.000 2.407 78 V HA 0.568 4.689 4.120 0.001 0.000 0.278 78 V C 0.314 176.480 176.094 0.120 0.000 1.037 78 V CA -0.917 61.459 62.300 0.126 0.000 0.900 78 V CB 0.718 32.590 31.823 0.081 0.000 0.983 78 V HN 0.602 nan 8.190 nan 0.000 0.459 79 R N 3.733 124.283 120.500 0.083 0.000 2.764 79 R HA 0.900 5.241 4.340 0.001 0.000 0.270 79 R C -0.739 175.573 176.300 0.019 0.000 1.014 79 R CA -0.675 55.456 56.100 0.051 0.000 0.904 79 R CB 1.960 32.289 30.300 0.048 0.000 1.236 79 R HN 0.632 nan 8.270 nan 0.000 0.466 84 S N -1.300 114.380 115.700 -0.033 0.000 2.694 84 S HA 0.467 4.938 4.470 0.001 0.000 0.278 84 S C 0.952 175.535 174.600 -0.028 0.000 1.152 84 S CA -0.330 57.869 58.200 -0.003 0.000 1.010 84 S CB 0.847 64.076 63.200 0.048 0.000 1.104 84 S HN 0.527 nan 8.310 nan 0.000 0.547 85 Y N 0.663 120.950 120.300 -0.022 0.000 2.274 85 Y HA 0.082 4.632 4.550 0.001 0.000 0.290 85 Y C 2.705 178.590 175.900 -0.025 0.000 1.145 85 Y CA 1.578 59.661 58.100 -0.028 0.000 1.203 85 Y CB -0.895 37.545 38.460 -0.033 0.000 0.984 85 Y HN 0.871 nan 8.280 nan 0.000 0.533 86 G N -0.632 108.243 108.800 0.125 0.000 2.470 86 G HA2 -0.206 3.755 3.960 0.001 0.000 0.220 86 G HA3 -0.206 3.755 3.960 0.001 0.000 0.220 86 G C 1.150 176.067 174.900 0.028 0.000 1.121 86 G CA 1.129 46.266 45.100 0.062 0.000 0.766 86 G HN 0.305 nan 8.290 nan 0.000 0.553 87 D N 0.126 120.533 120.400 0.011 0.000 2.349 87 D HA 0.060 4.700 4.640 0.001 0.000 0.224 87 D C 2.225 178.514 176.300 -0.018 0.000 1.029 87 D CA 0.061 54.054 54.000 -0.011 0.000 0.879 87 D CB 0.290 41.075 40.800 -0.024 0.000 0.906 87 D HN 0.321 nan 8.370 nan 0.000 0.528 88 L N 0.566 121.780 121.223 -0.015 0.000 2.554 88 L HA 0.036 4.377 4.340 0.001 0.000 0.226 88 L C 1.149 178.018 176.870 -0.001 0.000 1.137 88 L CA 0.065 54.895 54.840 -0.017 0.000 0.863 88 L CB -0.186 41.864 42.059 -0.016 0.000 0.985 88 L HN -0.073 nan 8.230 nan 0.000 0.451 89 E N 0.882 121.085 120.200 0.005 0.000 2.652 89 E HA -0.043 4.308 4.350 0.001 0.000 0.255 89 E C 1.209 177.810 176.600 0.003 0.000 0.952 89 E CA 0.795 57.198 56.400 0.006 0.000 0.947 89 E CB 0.217 29.919 29.700 0.004 0.000 0.912 89 E HN 0.354 nan 8.360 nan 0.000 0.489 90 G N 2.530 111.333 108.800 0.004 0.000 2.184 90 G HA2 -0.344 3.617 3.960 0.001 0.000 0.264 90 G HA3 -0.344 3.617 3.960 0.001 0.000 0.264 90 G C 0.313 175.216 174.900 0.005 0.000 0.975 90 G CA 0.153 45.256 45.100 0.004 0.000 0.642 90 G HN 0.910 nan 8.290 nan 0.000 0.536 91 A N -0.243 122.578 122.820 0.002 0.000 2.511 91 A HA 0.671 4.992 4.320 0.001 0.000 0.242 91 A C 1.285 178.869 177.584 -0.001 0.000 1.069 91 A CA 1.309 53.346 52.037 -0.000 0.000 0.763 91 A CB 0.332 19.328 19.000 -0.007 0.000 1.001 91 A HN 0.762 nan 8.150 nan 0.000 0.498 92 R N 1.303 121.802 120.500 -0.001 0.000 2.161 92 R HA 0.322 4.662 4.340 0.001 0.000 0.213 92 R C 0.433 176.729 176.300 -0.006 0.000 1.055 92 R CA 1.548 57.647 56.100 -0.002 0.000 0.996 92 R CB 0.043 30.342 30.300 -0.002 0.000 0.901 92 R HN 0.933 nan 8.270 nan 0.000 0.456 93 A N -0.493 122.321 122.820 -0.011 0.000 2.515 93 A HA 0.653 4.974 4.320 0.001 0.000 0.298 93 A C -1.615 175.957 177.584 -0.020 0.000 1.059 93 A CA -0.712 51.316 52.037 -0.016 0.000 0.698 93 A CB 2.204 21.191 19.000 -0.022 0.000 1.289 93 A HN -0.013 nan 8.150 nan 0.000 0.404 94 V N 1.808 121.708 119.914 -0.023 0.000 2.483 94 V HA 0.400 4.521 4.120 0.001 0.000 0.297 94 V C -0.381 175.691 176.094 -0.035 0.000 1.027 94 V CA -0.594 61.686 62.300 -0.034 0.000 0.855 94 V CB 1.661 33.463 31.823 -0.035 0.000 0.995 94 V HN 0.713 nan 8.190 nan 0.000 0.424 95 V N 6.385 126.276 119.914 -0.040 0.000 2.461 95 V HA 0.344 4.465 4.120 0.001 0.000 0.275 95 V C 0.093 176.167 176.094 -0.034 0.000 1.047 95 V CA -0.330 61.952 62.300 -0.031 0.000 0.955 95 V CB 1.353 33.158 31.823 -0.030 0.000 0.988 95 V HN 0.610 nan 8.190 nan 0.000 0.471 96 L N 5.072 126.290 121.223 -0.008 0.000 2.270 96 L HA 0.578 4.919 4.340 0.001 0.000 0.286 96 L C 0.643 177.568 176.870 0.092 0.000 1.059 96 L CA -0.158 54.679 54.840 -0.006 0.000 0.839 96 L CB 0.967 42.990 42.059 -0.060 0.000 1.221 96 L HN 0.761 nan 8.230 nan 0.000 0.431 97 A N 2.792 125.643 122.820 0.052 0.000 2.643 97 A HA 0.674 4.994 4.320 0.001 0.000 0.295 97 A C 0.451 178.080 177.584 0.075 0.000 1.065 97 A CA -0.199 51.878 52.037 0.067 0.000 0.986 97 A CB 0.380 19.388 19.000 0.012 0.000 1.212 97 A HN 0.615 nan 8.150 nan 0.000 0.516 98 A N -0.106 122.790 122.820 0.126 0.000 2.303 98 A HA 0.855 5.175 4.320 0.001 0.000 0.317 98 A C 0.658 178.353 177.584 0.185 0.000 1.149 98 A CA 0.205 52.316 52.037 0.123 0.000 0.822 98 A CB 0.455 19.515 19.000 0.099 0.000 1.131 98 A HN 2.156 nan 8.150 nan 0.000 0.493 99 G N -0.978 107.894 108.800 0.120 0.000 2.423 99 G HA2 0.330 4.290 3.960 0.001 0.000 0.684 99 G HA3 0.330 4.290 3.960 0.001 0.000 0.684 99 G C -0.539 174.401 174.900 0.067 0.000 1.309 99 G CA -0.289 44.876 45.100 0.107 0.000 0.950 99 G HN 1.966 nan 8.290 nan 0.000 0.587 100 V N 0.560 120.505 119.914 0.051 0.000 2.775 100 V HA 0.693 4.814 4.120 0.001 0.000 0.299 100 V C 1.086 177.202 176.094 0.036 0.000 1.062 100 V CA 0.859 63.183 62.300 0.040 0.000 1.063 100 V CB 0.993 32.837 31.823 0.035 0.000 0.994 100 V HN 2.369 nan 8.190 nan 0.000 0.483 101 A N 5.867 128.710 122.820 0.038 0.000 2.281 101 A HA 0.672 4.993 4.320 0.001 0.000 0.329 101 A C -0.190 177.421 177.584 0.045 0.000 1.122 101 A CA -0.737 51.325 52.037 0.042 0.000 0.850 101 A CB 0.993 20.021 19.000 0.047 0.000 1.207 101 A HN 0.951 nan 8.150 nan 0.000 0.495 102 Q N 1.269 121.101 119.800 0.052 0.000 2.327 102 Q HA 0.317 4.658 4.340 0.001 0.000 0.254 102 Q C -0.243 175.799 176.000 0.070 0.000 0.952 102 Q CA -0.157 55.685 55.803 0.065 0.000 0.884 102 Q CB 0.789 29.581 28.738 0.090 0.000 1.224 102 Q HN 0.810 nan 8.270 nan 0.000 0.422 106 G N 0.593 109.368 108.800 -0.043 0.000 2.253 106 G HA2 -0.226 3.735 3.960 0.001 0.000 0.251 106 G HA3 -0.226 3.735 3.960 0.001 0.000 0.251 106 G C 0.145 175.006 174.900 -0.065 0.000 0.998 106 G CA 0.474 45.531 45.100 -0.073 0.000 0.621 106 G HN 0.859 nan 8.290 nan 0.000 0.524 107 E N 1.327 121.518 120.200 -0.015 0.000 2.204 107 E HA 0.583 4.933 4.350 0.001 0.000 0.276 107 E C 0.821 177.457 176.600 0.060 0.000 0.974 107 E CA 0.069 56.478 56.400 0.015 0.000 0.815 107 E CB 0.978 30.700 29.700 0.036 0.000 1.119 107 E HN 0.354 nan 8.360 nan 0.000 0.393 108 T N 0.906 115.493 114.554 0.054 0.000 2.881 108 T HA 0.316 4.666 4.350 0.001 0.000 0.278 108 T C 1.024 175.778 174.700 0.090 0.000 0.982 108 T CA -0.539 61.626 62.100 0.110 0.000 0.989 108 T CB 1.292 70.200 68.868 0.067 0.000 1.058 108 T HN 0.547 nan 8.240 nan 0.000 0.529 109 R N -0.077 120.472 120.500 0.081 0.000 2.115 109 R HA 0.094 4.434 4.340 0.001 0.000 0.230 109 R C 2.223 178.539 176.300 0.028 0.000 1.111 109 R CA 1.021 57.145 56.100 0.040 0.000 0.976 109 R CB -0.649 29.653 30.300 0.004 0.000 0.870 109 R HN 0.592 nan 8.270 nan 0.000 0.445 110 L N 0.712 121.952 121.223 0.029 0.000 2.291 110 L HA -0.133 4.207 4.340 0.001 0.000 0.214 110 L C 2.090 178.974 176.870 0.023 0.000 1.120 110 L CA 1.026 55.881 54.840 0.024 0.000 0.799 110 L CB -0.240 41.835 42.059 0.027 0.000 0.925 110 L HN 0.204 nan 8.230 nan 0.000 0.446 111 Q N -0.070 119.745 119.800 0.026 0.000 2.436 111 Q HA -0.074 4.267 4.340 0.001 0.000 0.209 111 Q C 1.959 177.971 176.000 0.020 0.000 0.965 111 Q CA 0.802 56.619 55.803 0.023 0.000 0.910 111 Q CB 0.051 28.803 28.738 0.023 0.000 0.980 111 Q HN 0.589 nan 8.270 nan 0.000 0.491 112 L N -0.038 121.194 121.223 0.016 0.000 2.554 112 L HA -0.057 4.284 4.340 0.001 0.000 0.226 112 L C 1.958 178.825 176.870 -0.004 0.000 1.137 112 L CA -0.141 54.704 54.840 0.009 0.000 0.863 112 L CB -0.208 41.854 42.059 0.005 0.000 0.985 112 L HN 0.210 nan 8.230 nan 0.000 0.451 113 L N 0.218 121.441 121.223 -0.001 0.000 2.017 113 L HA -0.198 4.143 4.340 0.001 0.000 0.208 113 L C 2.105 178.978 176.870 0.005 0.000 1.073 113 L CA 1.930 56.765 54.840 -0.010 0.000 0.745 113 L CB -0.575 41.492 42.059 0.012 0.000 0.894 113 L HN 0.184 nan 8.230 nan 0.000 0.432 114 D N -0.481 119.932 120.400 0.022 0.000 2.104 114 D HA -0.200 4.441 4.640 0.001 0.000 0.194 114 D C 2.315 178.633 176.300 0.031 0.000 0.994 114 D CA 1.413 55.433 54.000 0.033 0.000 0.830 114 D CB -0.011 40.806 40.800 0.028 0.000 0.959 114 D HN 0.374 nan 8.370 nan 0.000 0.452 115 R N 0.290 120.804 120.500 0.023 0.000 2.075 115 R HA -0.041 4.299 4.340 0.001 0.000 0.232 115 R C 1.950 178.269 176.300 0.032 0.000 1.126 115 R CA 0.911 57.029 56.100 0.029 0.000 0.963 115 R CB -0.054 30.262 30.300 0.026 0.000 0.858 115 R HN 0.120 nan 8.270 nan 0.000 0.435 116 N N 0.459 119.159 118.700 -0.000 0.000 2.300 116 N HA -0.030 4.711 4.740 0.001 0.000 0.179 116 N C 1.562 177.041 175.510 -0.053 0.000 1.016 116 N CA 1.108 54.141 53.050 -0.029 0.000 0.876 116 N CB -0.202 38.214 38.487 -0.118 0.000 0.979 116 N HN 0.181 nan 8.380 nan 0.000 0.432 117 A N 1.379 124.169 122.820 -0.051 0.000 1.917 117 A HA -0.226 4.095 4.320 0.001 0.000 0.219 117 A C 2.127 179.785 177.584 0.122 0.000 1.182 117 A CA 1.471 53.520 52.037 0.021 0.000 0.633 117 A CB -0.640 18.421 19.000 0.102 0.000 0.819 117 A HN 0.349 nan 8.150 nan 0.000 0.448 118 Q N -0.626 119.236 119.800 0.104 0.000 2.124 118 Q HA -0.115 4.225 4.340 0.001 0.000 0.202 118 Q C 2.162 178.238 176.000 0.127 0.000 0.977 118 Q CA 1.625 57.491 55.803 0.105 0.000 0.850 118 Q CB -0.347 28.434 28.738 0.072 0.000 0.901 118 Q HN 0.553 nan 8.270 nan 0.000 0.429 119 V N 0.129 120.138 119.914 0.158 0.000 2.295 119 V HA -0.229 3.891 4.120 0.001 0.000 0.246 119 V C 1.862 178.120 176.094 0.273 0.000 1.049 119 V CA 1.588 64.009 62.300 0.203 0.000 1.024 119 V CB -0.586 31.389 31.823 0.254 0.000 0.648 119 V HN 0.256 nan 8.190 nan 0.000 0.447 120 F N 0.979 120.936 119.950 0.011 0.000 2.293 120 F HA -0.018 4.509 4.527 0.001 0.000 0.300 120 F C 2.401 178.195 175.800 -0.011 0.000 1.086 120 F CA 0.649 58.646 58.000 -0.005 0.000 1.375 120 F CB -1.103 37.874 39.000 -0.038 0.000 1.045 120 F HN 0.100 nan 8.300 nan 0.000 0.516 121 A N -0.679 122.248 122.820 0.178 0.000 2.019 121 A HA -0.184 4.136 4.320 0.001 0.000 0.219 121 A C 2.176 179.775 177.584 0.025 0.000 1.164 121 A CA 1.342 53.437 52.037 0.097 0.000 0.644 121 A CB -0.370 18.696 19.000 0.110 0.000 0.805 121 A HN 0.292 nan 8.150 nan 0.000 0.449 122 Q N -0.748 119.062 119.800 0.015 0.000 2.123 122 Q HA 0.019 4.360 4.340 0.001 0.000 0.196 122 Q C 2.318 178.236 176.000 -0.136 0.000 0.958 122 Q CA 1.335 57.106 55.803 -0.053 0.000 0.841 122 Q CB -0.618 28.105 28.738 -0.026 0.000 0.915 122 Q HN 0.482 nan 8.270 nan 0.000 0.455 123 V N 0.399 120.241 119.914 -0.119 0.000 2.273 123 V HA -0.159 3.961 4.120 0.001 0.000 0.242 123 V C 2.488 178.472 176.094 -0.183 0.000 1.035 123 V CA 1.177 63.380 62.300 -0.162 0.000 1.013 123 V CB -0.644 31.024 31.823 -0.259 0.000 0.652 123 V HN 0.041 nan 8.190 nan 0.000 0.452 124 V N 0.653 120.438 119.914 -0.215 0.000 2.252 124 V HA -0.201 3.920 4.120 0.001 0.000 0.249 124 V C 0.139 176.170 176.094 -0.104 0.000 1.056 124 V CA 2.730 64.936 62.300 -0.157 0.000 1.022 124 V CB -2.112 29.643 31.823 -0.114 0.000 0.641 124 V HN 0.501 nan 8.190 nan 0.000 0.445 125 P HA -0.163 nan 4.420 nan 0.000 0.216 125 P C 1.724 178.950 177.300 -0.123 0.000 1.153 125 P CA 1.577 64.619 63.100 -0.097 0.000 0.858 125 P CB -0.133 31.511 31.700 -0.094 0.000 0.789 126 R N -0.820 119.550 120.500 -0.216 0.000 2.115 126 R HA -0.036 4.304 4.340 0.001 0.000 0.230 126 R C 2.121 178.380 176.300 -0.068 0.000 1.111 126 R CA 0.937 56.857 56.100 -0.301 0.000 0.976 126 R CB -0.986 28.787 30.300 -0.880 0.000 0.870 126 R HN 0.115 nan 8.270 nan 0.000 0.445 127 V N 1.036 120.962 119.914 0.021 0.000 2.307 127 V HA -0.201 3.920 4.120 0.001 0.000 0.245 127 V C 2.041 178.154 176.094 0.030 0.000 1.045 127 V CA 1.514 63.875 62.300 0.101 0.000 1.024 127 V CB -0.296 31.562 31.823 0.058 0.000 0.651 127 V HN 0.183 nan 8.190 nan 0.000 0.449 128 L N 0.074 121.292 121.223 -0.008 0.000 2.201 128 L HA -0.143 4.198 4.340 0.001 0.000 0.212 128 L C 2.441 179.305 176.870 -0.011 0.000 1.105 128 L CA 1.851 56.684 54.840 -0.012 0.000 0.775 128 L CB -0.615 41.430 42.059 -0.024 0.000 0.913 128 L HN 0.466 nan 8.230 nan 0.000 0.440 129 E N 0.014 120.203 120.200 -0.018 0.000 2.047 129 E HA -0.222 4.129 4.350 0.001 0.000 0.191 129 E C 2.186 178.788 176.600 0.002 0.000 0.987 129 E CA 1.266 57.657 56.400 -0.016 0.000 0.799 129 E CB -0.037 29.643 29.700 -0.032 0.000 0.752 129 E HN 0.419 nan 8.360 nan 0.000 0.449 130 A N 0.544 123.378 122.820 0.023 0.000 1.975 130 A HA 0.397 4.718 4.320 0.001 0.000 0.215 130 A C 1.087 178.683 177.584 0.021 0.000 1.170 130 A CA 0.845 52.901 52.037 0.032 0.000 0.656 130 A CB -0.006 19.033 19.000 0.065 0.000 0.821 130 A HN 0.346 nan 8.150 nan 0.000 0.449 131 A N -1.561 121.271 122.820 0.020 0.000 2.435 131 A HA 0.601 4.922 4.320 0.001 0.000 0.304 131 A C 0.256 177.843 177.584 0.006 0.000 1.064 131 A CA -0.222 51.821 52.037 0.011 0.000 0.727 131 A CB 0.677 19.683 19.000 0.010 0.000 1.284 131 A HN 0.135 nan 8.150 nan 0.000 0.415 132 E N -0.480 119.723 120.200 0.004 0.000 2.794 132 E HA -0.282 4.069 4.350 0.001 0.000 0.284 132 E C 0.792 177.396 176.600 0.006 0.000 1.387 132 E CA 1.517 57.921 56.400 0.006 0.000 0.786 132 E CB -1.129 28.574 29.700 0.006 0.000 1.172 132 E HN 1.004 nan 8.360 nan 0.000 0.402 133 A N -0.078 122.745 122.820 0.004 0.000 2.371 133 A HA 0.379 4.699 4.320 0.001 0.000 0.257 133 A C 0.214 177.800 177.584 0.004 0.000 1.089 133 A CA -0.422 51.616 52.037 0.002 0.000 0.794 133 A CB 0.844 19.843 19.000 -0.001 0.000 1.029 133 A HN 0.019 nan 8.150 nan 0.000 0.488 134 V N 3.238 123.153 119.914 0.002 0.000 2.555 134 V HA 0.109 4.230 4.120 0.001 0.000 0.286 134 V C -0.030 176.065 176.094 0.000 0.000 1.044 134 V CA -0.232 62.071 62.300 0.004 0.000 1.026 134 V CB 0.614 32.437 31.823 -0.000 0.000 0.981 134 V HN 0.647 nan 8.190 nan 0.000 0.480 135 L N 5.931 127.159 121.223 0.009 0.000 2.305 135 L HA 0.448 4.788 4.340 0.001 0.000 0.281 135 L C -0.316 176.561 176.870 0.010 0.000 1.085 135 L CA 0.130 54.974 54.840 0.007 0.000 0.813 135 L CB 1.138 43.208 42.059 0.019 0.000 1.157 135 L HN 0.545 nan 8.230 nan 0.000 0.436 136 L N 5.041 126.266 121.223 0.002 0.000 2.343 136 L HA 0.593 4.933 4.340 0.001 0.000 0.278 136 L C -0.836 176.048 176.870 0.023 0.000 0.996 136 L CA -0.259 54.581 54.840 0.000 0.000 0.831 136 L CB 1.742 43.785 42.059 -0.025 0.000 1.232 136 L HN 0.269 nan 8.230 nan 0.000 0.413 137 V N 5.560 125.502 119.914 0.047 0.000 2.439 137 V HA 0.688 4.809 4.120 0.001 0.000 0.282 137 V C 0.757 176.884 176.094 0.054 0.000 1.039 137 V CA 0.412 62.775 62.300 0.104 0.000 0.913 137 V CB 0.983 32.898 31.823 0.153 0.000 0.983 137 V HN 0.975 nan 8.190 nan 0.000 0.460 138 A N 3.101 125.967 122.820 0.077 0.000 2.026 138 A HA 0.235 4.556 4.320 0.001 0.000 0.198 138 A C 1.155 178.762 177.584 0.039 0.000 1.390 138 A CA 0.191 52.244 52.037 0.027 0.000 0.915 138 A CB -0.093 18.918 19.000 0.018 0.000 0.974 138 A HN 0.646 nan 8.150 nan 0.000 0.477 139 T N 2.482 117.093 114.554 0.096 0.000 2.867 139 T HA 0.022 4.373 4.350 0.001 0.000 0.290 139 T C 0.143 174.820 174.700 -0.038 0.000 1.025 139 T CA 0.615 62.743 62.100 0.048 0.000 1.146 139 T CB -0.318 68.600 68.868 0.083 0.000 1.024 139 T HN 0.485 nan 8.240 nan 0.000 0.519 140 N N 3.544 122.235 118.700 -0.016 0.000 2.493 140 N HA 0.304 5.044 4.740 0.001 0.000 0.275 140 N C -2.482 172.991 175.510 -0.061 0.000 1.186 140 N CA -1.701 51.344 53.050 -0.008 0.000 0.978 140 N CB 0.739 39.248 38.487 0.037 0.000 1.184 140 N HN 0.364 nan 8.380 nan 0.000 0.487 141 P HA -0.018 nan 4.420 nan 0.000 0.276 141 P C 0.574 177.867 177.300 -0.012 0.000 1.253 141 P CA 0.086 63.185 63.100 -0.001 0.000 0.766 141 P CB 1.302 33.003 31.700 0.002 0.000 0.845 142 V N 3.774 123.712 119.914 0.041 0.000 2.407 142 V HA -0.197 3.924 4.120 0.001 0.000 0.248 142 V C 1.689 177.783 176.094 -0.001 0.000 1.055 142 V CA 2.027 64.330 62.300 0.004 0.000 1.049 142 V CB -0.687 31.137 31.823 0.002 0.000 0.662 142 V HN 0.456 nan 8.190 nan 0.000 0.455 143 D N -0.223 120.194 120.400 0.028 0.000 2.117 143 D HA -0.127 4.514 4.640 0.001 0.000 0.197 143 D C 2.120 178.433 176.300 0.021 0.000 0.987 143 D CA 1.805 55.820 54.000 0.025 0.000 0.829 143 D CB -0.135 40.686 40.800 0.035 0.000 0.961 143 D HN 0.460 nan 8.370 nan 0.000 0.460 144 V N 1.329 121.248 119.914 0.008 0.000 2.548 144 V HA -0.184 3.937 4.120 0.001 0.000 0.249 144 V C 2.422 178.473 176.094 -0.071 0.000 1.055 144 V CA 0.937 63.239 62.300 0.005 0.000 1.065 144 V CB -0.319 31.513 31.823 0.015 0.000 0.681 144 V HN 0.142 nan 8.190 nan 0.000 0.462 145 M N 0.143 119.659 119.600 -0.140 0.000 2.213 145 M HA -0.114 4.367 4.480 0.001 0.000 0.263 145 M C 2.228 178.459 176.300 -0.115 0.000 1.062 145 M CA 1.711 56.834 55.300 -0.294 0.000 1.105 145 M CB -1.723 30.596 32.600 -0.467 0.000 1.385 145 M HN 0.395 nan 8.290 nan 0.000 0.417 146 T N -0.062 114.485 114.554 -0.011 0.000 2.737 146 T HA -0.198 4.152 4.350 0.001 0.000 0.265 146 T C 1.817 176.582 174.700 0.108 0.000 1.038 146 T CA 1.597 63.740 62.100 0.071 0.000 1.144 146 T CB -0.163 68.740 68.868 0.059 0.000 0.866 146 T HN 0.436 nan 8.240 nan 0.000 0.434 147 Q N 0.563 120.425 119.800 0.104 0.000 2.061 147 Q HA -0.118 4.223 4.340 0.001 0.000 0.204 147 Q C 2.306 178.310 176.000 0.008 0.000 0.984 147 Q CA 1.474 57.391 55.803 0.190 0.000 0.846 147 Q CB -0.426 28.444 28.738 0.221 0.000 0.902 147 Q HN 0.302 nan 8.270 nan 0.000 0.421 148 V N 0.993 120.765 119.914 -0.236 0.000 2.250 148 V HA -0.372 3.748 4.120 0.001 0.000 0.250 148 V C 2.359 178.271 176.094 -0.303 0.000 1.060 148 V CA 2.111 64.021 62.300 -0.651 0.000 1.030 148 V CB -1.238 30.234 31.823 -0.585 0.000 0.643 148 V HN 0.608 nan 8.190 nan 0.000 0.445 149 A N -1.172 121.649 122.820 0.002 0.000 1.908 149 A HA -0.287 4.034 4.320 0.001 0.000 0.218 149 A C 2.157 179.770 177.584 0.049 0.000 1.181 149 A CA 2.241 54.346 52.037 0.113 0.000 0.627 149 A CB -0.798 18.339 19.000 0.228 0.000 0.818 149 A HN 0.701 nan 8.150 nan 0.000 0.445 150 Y N 0.682 120.950 120.300 -0.052 0.000 2.114 150 Y HA -0.216 4.334 4.550 0.001 0.000 0.284 150 Y C 2.423 178.252 175.900 -0.118 0.000 1.143 150 Y CA 2.035 60.085 58.100 -0.083 0.000 1.135 150 Y CB -0.310 38.095 38.460 -0.092 0.000 0.980 150 Y HN 0.174 nan 8.280 nan 0.000 0.499 151 R N 0.554 120.821 120.500 -0.389 0.000 2.080 151 R HA -0.140 4.200 4.340 0.001 0.000 0.236 151 R C 2.460 178.631 176.300 -0.216 0.000 1.137 151 R CA 1.773 57.651 56.100 -0.369 0.000 0.943 151 R CB -1.371 28.936 30.300 0.013 0.000 0.846 151 R HN 0.455 nan 8.270 nan 0.000 0.431 152 L N 1.138 122.287 121.223 -0.123 0.000 2.191 152 L HA -0.127 4.214 4.340 0.001 0.000 0.212 152 L C 2.454 179.276 176.870 -0.079 0.000 1.103 152 L CA 1.545 56.355 54.840 -0.050 0.000 0.769 152 L CB -0.503 41.544 42.059 -0.019 0.000 0.908 152 L HN 0.281 nan 8.230 nan 0.000 0.438 153 S N -0.773 114.862 115.700 -0.108 0.000 2.446 153 S HA 0.036 4.506 4.470 0.001 0.000 0.225 153 S C 1.740 176.285 174.600 -0.092 0.000 1.016 153 S CA 0.557 58.712 58.200 -0.075 0.000 0.943 153 S CB 0.148 63.328 63.200 -0.033 0.000 0.786 153 S HN 0.495 nan 8.310 nan 0.000 0.508 154 G N 1.153 109.853 108.800 -0.168 0.000 2.175 154 G HA2 -0.248 3.713 3.960 0.001 0.000 0.265 154 G HA3 -0.248 3.713 3.960 0.001 0.000 0.265 154 G C 0.032 174.881 174.900 -0.085 0.000 0.979 154 G CA 0.670 45.678 45.100 -0.153 0.000 0.663 154 G HN 0.568 nan 8.290 nan 0.000 0.533 155 L N 0.545 121.745 121.223 -0.039 0.000 2.466 155 L HA 0.397 4.738 4.340 0.001 0.000 0.257 155 L C -1.425 175.526 176.870 0.136 0.000 1.189 155 L CA -2.086 52.782 54.840 0.047 0.000 0.813 155 L CB 0.344 42.444 42.059 0.068 0.000 1.118 155 L HN -0.096 nan 8.230 nan 0.000 0.471 156 P HA 0.043 nan 4.420 nan 0.000 0.269 156 P C -2.039 175.363 177.300 0.171 0.000 1.209 156 P CA -1.037 62.151 63.100 0.146 0.000 0.776 156 P CB 0.001 31.752 31.700 0.085 0.000 0.876 157 P HA -0.180 nan 4.420 nan 0.000 0.218 157 P C 1.508 178.799 177.300 -0.015 0.000 1.148 157 P CA 1.821 64.867 63.100 -0.090 0.000 0.822 157 P CB -0.488 31.138 31.700 -0.123 0.000 0.784 158 G N 0.959 109.774 108.800 0.024 0.000 2.450 158 G HA2 -0.230 3.731 3.960 0.001 0.000 0.220 158 G HA3 -0.230 3.731 3.960 0.001 0.000 0.220 158 G C 1.556 176.472 174.900 0.026 0.000 1.130 158 G CA 0.297 45.409 45.100 0.021 0.000 0.760 158 G HN 0.255 nan 8.290 nan 0.000 0.557 159 R N -0.133 120.393 120.500 0.044 0.000 2.313 159 R HA 0.124 4.465 4.340 0.001 0.000 0.199 159 R C -0.258 176.070 176.300 0.048 0.000 0.958 159 R CA 0.113 56.238 56.100 0.042 0.000 1.047 159 R CB 0.093 30.421 30.300 0.047 0.000 0.955 159 R HN 0.268 nan 8.270 nan 0.000 0.481 160 V N 2.179 122.128 119.914 0.060 0.000 2.325 160 V HA 0.250 4.370 4.120 0.001 0.000 0.280 160 V C -0.276 175.845 176.094 0.045 0.000 1.016 160 V CA -0.732 61.611 62.300 0.070 0.000 0.818 160 V CB 1.891 33.796 31.823 0.137 0.000 1.019 160 V HN -0.192 nan 8.190 nan 0.000 0.434 161 V N 3.453 123.384 119.914 0.028 0.000 2.459 161 V HA 0.794 4.914 4.120 0.001 0.000 0.295 161 V C 0.763 176.861 176.094 0.006 0.000 1.029 161 V CA -0.427 61.876 62.300 0.006 0.000 0.874 161 V CB 1.842 33.656 31.823 -0.014 0.000 0.985 161 V HN 0.818 nan 8.190 nan 0.000 0.438 162 G N 1.613 110.412 108.800 -0.003 0.000 2.371 162 G HA2 0.445 4.405 3.960 0.001 0.000 0.326 162 G HA3 0.445 4.405 3.960 0.001 0.000 0.326 162 G C 0.971 175.840 174.900 -0.052 0.000 1.127 162 G CA 0.287 45.379 45.100 -0.014 0.000 0.885 162 G HN 0.902 nan 8.290 nan 0.000 0.477 163 S N 1.655 117.309 115.700 -0.077 0.000 2.370 163 S HA 0.095 4.566 4.470 0.001 0.000 0.226 163 S C 2.016 176.530 174.600 -0.143 0.000 1.033 163 S CA 1.491 59.620 58.200 -0.119 0.000 1.011 163 S CB -0.875 62.239 63.200 -0.144 0.000 0.852 163 S HN 2.411 nan 8.310 nan 0.000 0.457 164 G N 1.171 109.874 108.800 -0.163 0.000 2.583 164 G HA2 -0.396 3.564 3.960 0.001 0.000 0.292 164 G HA3 -0.396 3.564 3.960 0.001 0.000 0.292 164 G C 0.794 175.594 174.900 -0.166 0.000 1.203 164 G CA 1.643 46.669 45.100 -0.123 0.000 0.987 164 G HN 1.424 nan 8.290 nan 0.000 0.554 165 T N -0.463 114.063 114.554 -0.046 0.000 3.169 165 T HA 0.412 4.762 4.350 0.001 0.000 0.250 165 T C 2.279 176.977 174.700 -0.003 0.000 1.111 165 T CA 1.045 63.154 62.100 0.015 0.000 1.010 165 T CB 0.137 69.020 68.868 0.025 0.000 0.984 165 T HN 0.746 nan 8.240 nan 0.000 0.537 166 I N 0.193 120.738 120.570 -0.042 0.000 2.248 166 I HA -0.144 4.027 4.170 0.001 0.000 0.248 166 I C 1.994 178.116 176.117 0.008 0.000 1.107 166 I CA 1.204 62.504 61.300 -0.000 0.000 1.373 166 I CB -0.035 37.947 38.000 -0.030 0.000 1.055 166 I HN 0.300 nan 8.210 nan 0.000 0.418 167 L N 0.517 121.719 121.223 -0.035 0.000 2.179 167 L HA -0.136 4.204 4.340 0.001 0.000 0.208 167 L C 1.992 178.895 176.870 0.055 0.000 1.096 167 L CA 1.747 56.588 54.840 0.001 0.000 0.779 167 L CB -0.764 41.276 42.059 -0.032 0.000 0.922 167 L HN 0.241 nan 8.230 nan 0.000 0.443 168 D N -1.208 119.242 120.400 0.084 0.000 2.117 168 D HA -0.164 4.477 4.640 0.001 0.000 0.198 168 D C 1.778 178.135 176.300 0.096 0.000 0.982 168 D CA 1.815 55.866 54.000 0.084 0.000 0.828 168 D CB -0.048 40.803 40.800 0.086 0.000 0.967 168 D HN 0.358 nan 8.370 nan 0.000 0.464 169 T N 1.360 115.980 114.554 0.111 0.000 2.720 169 T HA -0.144 4.206 4.350 0.001 0.000 0.268 169 T C 2.142 176.921 174.700 0.132 0.000 1.037 169 T CA 1.466 63.665 62.100 0.165 0.000 1.144 169 T CB -0.230 68.732 68.868 0.156 0.000 0.864 169 T HN 0.198 nan 8.240 nan 0.000 0.444 170 A N 1.628 124.502 122.820 0.089 0.000 1.902 170 A HA -0.117 4.203 4.320 0.001 0.000 0.217 170 A C 2.373 179.994 177.584 0.062 0.000 1.181 170 A CA 1.487 53.560 52.037 0.060 0.000 0.623 170 A CB -0.488 18.541 19.000 0.047 0.000 0.818 170 A HN 0.424 nan 8.150 nan 0.000 0.443 171 R N -1.928 118.619 120.500 0.078 0.000 2.081 171 R HA -0.097 4.244 4.340 0.001 0.000 0.235 171 R C 1.999 178.382 176.300 0.138 0.000 1.131 171 R CA 1.458 57.607 56.100 0.081 0.000 0.960 171 R CB -0.470 29.867 30.300 0.061 0.000 0.856 171 R HN 0.533 nan 8.270 nan 0.000 0.436 172 F N 1.920 121.835 119.950 -0.059 0.000 2.102 172 F HA -0.137 4.391 4.527 0.001 0.000 0.298 172 F C 2.000 177.730 175.800 -0.117 0.000 1.105 172 F CA 1.495 59.425 58.000 -0.116 0.000 1.239 172 F CB -0.264 38.637 39.000 -0.166 0.000 0.991 172 F HN -0.148 nan 8.300 nan 0.000 0.474 173 R N -0.212 120.256 120.500 -0.052 0.000 2.075 173 R HA -0.052 4.289 4.340 0.001 0.000 0.232 173 R C 2.427 178.665 176.300 -0.104 0.000 1.126 173 R CA 1.242 57.228 56.100 -0.190 0.000 0.963 173 R CB -0.754 29.452 30.300 -0.156 0.000 0.858 173 R HN 0.306 nan 8.270 nan 0.000 0.435 174 A N 1.095 123.900 122.820 -0.024 0.000 1.898 174 A HA -0.088 4.232 4.320 0.001 0.000 0.216 174 A C 2.142 179.744 177.584 0.029 0.000 1.181 174 A CA 1.030 53.067 52.037 -0.000 0.000 0.620 174 A CB -0.442 18.569 19.000 0.018 0.000 0.819 174 A HN 0.161 nan 8.150 nan 0.000 0.442 175 L N -0.661 120.599 121.223 0.061 0.000 2.056 175 L HA -0.143 4.198 4.340 0.001 0.000 0.207 175 L C 2.545 179.482 176.870 0.111 0.000 1.078 175 L CA 0.889 55.790 54.840 0.102 0.000 0.749 175 L CB -0.469 41.672 42.059 0.137 0.000 0.901 175 L HN 0.373 nan 8.230 nan 0.000 0.433 176 L N -0.508 120.735 121.223 0.032 0.000 2.046 176 L HA -0.208 4.133 4.340 0.001 0.000 0.208 176 L C 2.902 179.814 176.870 0.069 0.000 1.077 176 L CA 1.129 55.976 54.840 0.010 0.000 0.747 176 L CB -0.734 41.199 42.059 -0.211 0.000 0.896 176 L HN 0.250 nan 8.230 nan 0.000 0.432 177 A N -0.073 122.748 122.820 0.002 0.000 1.892 177 A HA -0.267 4.054 4.320 0.001 0.000 0.218 177 A C 2.174 179.798 177.584 0.066 0.000 1.188 177 A CA 1.956 54.000 52.037 0.012 0.000 0.631 177 A CB -0.530 18.455 19.000 -0.026 0.000 0.822 177 A HN 0.457 nan 8.150 nan 0.000 0.447 178 E N -2.038 118.212 120.200 0.083 0.000 2.110 178 E HA -0.197 4.154 4.350 0.001 0.000 0.193 178 E C 1.839 178.512 176.600 0.122 0.000 0.988 178 E CA 1.301 57.754 56.400 0.088 0.000 0.804 178 E CB -0.248 29.506 29.700 0.089 0.000 0.745 178 E HN 0.789 nan 8.360 nan 0.000 0.458 179 Y N 0.847 121.177 120.300 0.049 0.000 2.133 179 Y HA -0.143 4.408 4.550 0.001 0.000 0.287 179 Y C 1.799 177.740 175.900 0.070 0.000 1.134 179 Y CA 1.446 59.585 58.100 0.066 0.000 1.133 179 Y CB 0.059 38.573 38.460 0.091 0.000 0.987 179 Y HN -0.072 nan 8.280 nan 0.000 0.502 180 L N 0.165 121.536 121.223 0.246 0.000 2.592 180 L HA 0.093 4.433 4.340 0.001 0.000 0.227 180 L C 0.203 177.145 176.870 0.121 0.000 1.127 180 L CA 0.021 54.986 54.840 0.209 0.000 0.884 180 L CB -0.174 42.114 42.059 0.381 0.000 1.065 180 L HN 0.004 nan 8.230 nan 0.000 0.457 181 R N 0.898 121.440 120.500 0.069 0.000 3.158 181 R HA -0.146 4.194 4.340 0.001 0.000 0.244 181 R C -0.561 175.776 176.300 0.062 0.000 0.900 181 R CA 0.752 56.879 56.100 0.045 0.000 0.618 181 R CB -2.295 28.015 30.300 0.015 0.000 1.061 181 R HN 0.337 nan 8.270 nan 0.000 0.471 182 V N -3.629 116.322 119.914 0.062 0.000 3.040 182 V HA 0.910 5.030 4.120 0.001 0.000 0.312 182 V C 0.433 176.520 176.094 -0.012 0.000 1.115 182 V CA -0.853 61.469 62.300 0.036 0.000 0.998 182 V CB 2.435 34.286 31.823 0.047 0.000 1.042 182 V HN 0.396 nan 8.190 nan 0.000 0.433 183 A N 3.879 126.682 122.820 -0.027 0.000 2.540 183 A HA 0.458 4.779 4.320 0.001 0.000 0.239 183 A C -0.880 176.651 177.584 -0.088 0.000 1.061 183 A CA -0.221 51.789 52.037 -0.046 0.000 0.758 183 A CB -0.353 18.621 19.000 -0.042 0.000 0.991 183 A HN 0.901 nan 8.150 nan 0.000 0.502 184 P HA -0.275 nan 4.420 nan 0.000 0.218 184 P C 1.318 178.511 177.300 -0.179 0.000 1.148 184 P CA 1.716 64.742 63.100 -0.122 0.000 0.822 184 P CB -0.063 31.591 31.700 -0.076 0.000 0.784 185 Q N -0.071 119.648 119.800 -0.135 0.000 2.197 185 Q HA -0.117 4.223 4.340 0.001 0.000 0.207 185 Q C 1.679 177.524 176.000 -0.257 0.000 0.984 185 Q CA 1.865 57.582 55.803 -0.143 0.000 0.869 185 Q CB -0.978 27.718 28.738 -0.070 0.000 0.906 185 Q HN 0.094 nan 8.270 nan 0.000 0.426 186 S N 0.080 115.624 115.700 -0.260 0.000 2.548 186 S HA 0.155 4.626 4.470 0.001 0.000 0.215 186 S C 0.188 174.454 174.600 -0.557 0.000 0.976 186 S CA -0.170 57.843 58.200 -0.311 0.000 0.908 186 S CB 0.623 63.724 63.200 -0.166 0.000 0.781 186 S HN 0.182 nan 8.310 nan 0.000 0.519 187 V N 2.944 122.526 119.914 -0.553 0.000 2.406 187 V HA 0.242 4.362 4.120 0.001 0.000 0.272 187 V C -0.633 175.052 176.094 -0.682 0.000 1.043 187 V CA -0.413 61.562 62.300 -0.542 0.000 0.915 187 V CB 0.315 31.912 31.823 -0.377 0.000 0.988 187 V HN 0.368 nan 8.190 nan 0.000 0.466 188 H N 3.510 122.421 119.070 -0.265 0.000 2.691 188 H HA 0.757 5.314 4.556 0.001 0.000 0.281 188 H C 0.123 175.252 175.328 -0.332 0.000 1.121 188 H CA 0.203 56.104 56.048 -0.245 0.000 1.254 188 H CB 1.189 30.831 29.762 -0.200 0.000 1.390 188 H HN 0.887 nan 8.280 nan 0.000 0.491 189 A N 3.045 125.690 122.820 -0.292 0.000 2.574 189 A HA 0.616 4.936 4.320 0.001 0.000 0.297 189 A C -1.600 175.895 177.584 -0.148 0.000 1.062 189 A CA -0.875 50.904 52.037 -0.431 0.000 0.686 189 A CB 1.183 19.643 19.000 -0.901 0.000 1.285 189 A HN 0.692 nan 8.150 nan 0.000 0.403 190 Y N -1.087 119.246 120.300 0.054 0.000 2.644 190 Y HA 0.859 5.409 4.550 0.001 0.000 0.338 190 Y C -1.075 174.909 175.900 0.141 0.000 1.119 190 Y CA -1.654 56.518 58.100 0.120 0.000 1.060 190 Y CB 1.459 39.942 38.460 0.038 0.000 1.294 190 Y HN 0.448 nan 8.280 nan 0.000 0.472 191 V N 3.011 123.129 119.914 0.339 0.000 2.604 191 V HA 0.523 4.644 4.120 0.001 0.000 0.305 191 V C -0.337 175.775 176.094 0.030 0.000 1.043 191 V CA -0.710 61.657 62.300 0.112 0.000 0.888 191 V CB 1.619 33.447 31.823 0.009 0.000 0.995 191 V HN 0.686 nan 8.190 nan 0.000 0.429 192 L N 2.604 123.828 121.223 0.003 0.000 2.283 192 L HA 0.956 5.297 4.340 0.001 0.000 0.259 192 L C 0.873 177.727 176.870 -0.027 0.000 1.027 192 L CA 0.004 54.811 54.840 -0.054 0.000 0.828 192 L CB 2.063 44.083 42.059 -0.066 0.000 1.380 192 L HN 0.913 nan 8.230 nan 0.000 0.425 193 G N 0.819 109.598 108.800 -0.036 0.000 2.496 193 G HA2 -0.224 3.736 3.960 0.001 0.000 0.243 193 G HA3 -0.224 3.736 3.960 0.001 0.000 0.243 193 G C -0.368 174.532 174.900 -0.001 0.000 1.176 193 G CA -0.014 45.077 45.100 -0.016 0.000 0.940 193 G HN 0.743 nan 8.290 nan 0.000 0.573 194 E N 0.682 120.886 120.200 0.008 0.000 2.338 194 E HA 0.299 4.650 4.350 0.001 0.000 0.272 194 E C 0.059 176.685 176.600 0.044 0.000 1.029 194 E CA -0.370 56.044 56.400 0.024 0.000 0.872 194 E CB 0.368 30.073 29.700 0.009 0.000 1.015 194 E HN 0.604 nan 8.360 nan 0.000 0.417 195 H N 3.735 122.787 119.070 -0.030 0.000 3.460 195 H HA 0.285 4.841 4.556 0.001 0.000 0.238 195 H C -0.221 175.086 175.328 -0.035 0.000 1.752 195 H CA 0.992 57.018 56.048 -0.037 0.000 1.503 195 H CB -0.540 29.199 29.762 -0.037 0.000 1.830 195 H HN 0.602 nan 8.280 nan 0.000 0.614 196 G N 1.736 110.402 108.800 -0.224 0.000 2.428 196 G HA2 -0.043 3.917 3.960 0.001 0.000 0.305 196 G HA3 -0.043 3.917 3.960 0.001 0.000 0.305 196 G C -0.129 174.712 174.900 -0.098 0.000 1.260 196 G CA -0.313 44.664 45.100 -0.205 0.000 0.853 196 G HN 0.273 nan 8.290 nan 0.000 0.480 197 D N 0.269 120.655 120.400 -0.023 0.000 2.309 197 D HA -0.056 4.584 4.640 0.001 0.000 0.212 197 D C 2.308 178.611 176.300 0.004 0.000 0.968 197 D CA 1.723 55.736 54.000 0.021 0.000 0.882 197 D CB 0.122 40.956 40.800 0.057 0.000 0.918 197 D HN 0.404 nan 8.370 nan 0.000 0.503 198 S N 0.067 115.764 115.700 -0.006 0.000 2.583 198 S HA 0.040 4.510 4.470 0.001 0.000 0.239 198 S C 0.471 175.066 174.600 -0.007 0.000 0.966 198 S CA -0.730 57.470 58.200 -0.001 0.000 0.973 198 S CB -0.242 62.961 63.200 0.005 0.000 0.794 198 S HN 0.264 nan 8.310 nan 0.000 0.463 199 E N 0.674 120.860 120.200 -0.023 0.000 2.392 199 E HA 0.364 4.715 4.350 0.001 0.000 0.259 199 E C -0.998 175.584 176.600 -0.030 0.000 1.108 199 E CA -0.828 55.555 56.400 -0.028 0.000 0.916 199 E CB 0.895 30.568 29.700 -0.045 0.000 0.989 199 E HN 0.108 nan 8.360 nan 0.000 0.432 200 V N 3.016 122.915 119.914 -0.025 0.000 2.326 200 V HA 0.123 4.244 4.120 0.001 0.000 0.281 200 V C -0.406 175.660 176.094 -0.047 0.000 1.015 200 V CA -0.872 61.423 62.300 -0.009 0.000 0.823 200 V CB 0.728 32.569 31.823 0.030 0.000 1.009 200 V HN 0.545 nan 8.190 nan 0.000 0.436 201 L N 5.560 126.697 121.223 -0.144 0.000 2.500 201 L HA 0.156 4.496 4.340 0.001 0.000 0.272 201 L C 0.505 177.296 176.870 -0.131 0.000 1.149 201 L CA 0.650 55.251 54.840 -0.400 0.000 0.897 201 L CB 1.119 42.696 42.059 -0.804 0.000 1.178 201 L HN 0.456 nan 8.230 nan 0.000 0.473 202 V N 5.026 124.954 119.914 0.024 0.000 2.153 202 V HA -0.029 4.091 4.120 0.001 0.000 0.250 202 V C 0.650 176.804 176.094 0.100 0.000 1.334 202 V CA -0.190 62.187 62.300 0.128 0.000 1.249 202 V CB -0.962 31.000 31.823 0.232 0.000 1.371 202 V HN 0.827 nan 8.190 nan 0.000 0.498 203 W N 1.676 123.065 121.300 0.149 0.000 2.425 203 W HA -0.168 4.492 4.660 0.001 0.000 0.277 203 W C 2.672 179.216 176.519 0.043 0.000 1.231 203 W CA 1.193 58.615 57.345 0.128 0.000 1.248 203 W CB -0.409 29.117 29.460 0.110 0.000 1.117 203 W HN 0.653 nan 8.180 nan 0.000 0.568 204 S N -0.212 115.636 115.700 0.247 0.000 2.399 204 S HA -0.180 4.291 4.470 0.001 0.000 0.231 204 S C 1.617 176.259 174.600 0.071 0.000 1.022 204 S CA 1.487 59.773 58.200 0.144 0.000 0.983 204 S CB -0.875 62.393 63.200 0.114 0.000 0.803 204 S HN 0.197 nan 8.310 nan 0.000 0.480 205 S N 0.382 116.087 115.700 0.009 0.000 2.578 205 S HA 0.683 5.153 4.470 0.001 0.000 0.231 205 S C 0.456 174.980 174.600 -0.127 0.000 0.994 205 S CA -0.147 58.016 58.200 -0.062 0.000 0.956 205 S CB 0.043 63.186 63.200 -0.095 0.000 0.870 205 S HN 0.725 nan 8.310 nan 0.000 0.494 206 A N 1.811 124.565 122.820 -0.110 0.000 2.488 206 A HA 0.539 4.860 4.320 0.001 0.000 0.249 206 A C 0.148 177.672 177.584 -0.099 0.000 1.083 206 A CA -0.089 51.847 52.037 -0.168 0.000 0.768 206 A CB 0.200 19.077 19.000 -0.205 0.000 1.017 206 A HN 0.608 nan 8.150 nan 0.000 0.496 207 Q N 1.231 120.963 119.800 -0.113 0.000 2.423 207 Q HA 0.571 4.912 4.340 0.001 0.000 0.278 207 Q C -0.414 175.507 176.000 -0.132 0.000 1.097 207 Q CA -0.900 54.855 55.803 -0.081 0.000 0.809 207 Q CB 2.260 30.964 28.738 -0.056 0.000 1.391 207 Q HN 0.423 nan 8.270 nan 0.000 0.428 208 V N -0.614 119.167 119.914 -0.223 0.000 3.426 208 V HA 0.117 4.237 4.120 0.001 0.000 0.271 208 V C -1.855 174.069 176.094 -0.283 0.000 1.530 208 V CA -0.248 61.790 62.300 -0.435 0.000 1.021 208 V CB 0.005 31.138 31.823 -1.150 0.000 0.824 208 V HN 0.579 nan 8.190 nan 0.000 0.432 209 P HA -0.042 nan 4.420 nan 0.000 0.283 209 P C 1.524 178.889 177.300 0.109 0.000 1.388 209 P CA 0.464 63.603 63.100 0.066 0.000 0.977 209 P CB 0.053 31.791 31.700 0.064 0.000 1.287 210 L N -2.106 119.213 121.223 0.161 0.000 3.071 210 L HA -0.413 3.928 4.340 0.001 0.000 0.214 210 L C 2.037 178.978 176.870 0.119 0.000 1.083 210 L CA 2.002 56.919 54.840 0.129 0.000 0.829 210 L CB -1.246 40.857 42.059 0.074 0.000 0.927 210 L HN 0.485 nan 8.230 nan 0.000 0.464 211 E N -0.767 119.504 120.200 0.118 0.000 2.047 211 E HA -0.224 4.127 4.350 0.001 0.000 0.191 211 E C 1.884 178.556 176.600 0.120 0.000 0.987 211 E CA 1.513 57.971 56.400 0.097 0.000 0.799 211 E CB -0.225 29.527 29.700 0.086 0.000 0.752 211 E HN 0.563 nan 8.360 nan 0.000 0.449 212 F N 1.811 121.781 119.950 0.033 0.000 2.120 212 F HA -0.271 4.257 4.527 0.001 0.000 0.300 212 F C 2.221 178.050 175.800 0.048 0.000 1.095 212 F CA 1.663 59.683 58.000 0.034 0.000 1.249 212 F CB -0.218 38.799 39.000 0.029 0.000 0.995 212 F HN -0.046 nan 8.300 nan 0.000 0.480 213 A N -0.288 122.650 122.820 0.196 0.000 1.898 213 A HA -0.189 4.131 4.320 0.001 0.000 0.216 213 A C 2.035 179.619 177.584 -0.001 0.000 1.181 213 A CA 1.703 53.818 52.037 0.129 0.000 0.620 213 A CB -0.945 18.215 19.000 0.267 0.000 0.819 213 A HN 0.507 nan 8.150 nan 0.000 0.442 214 E N 0.411 120.620 120.200 0.014 0.000 2.012 214 E HA -0.111 4.240 4.350 0.001 0.000 0.197 214 E C 2.084 178.642 176.600 -0.069 0.000 1.007 214 E CA 1.928 58.322 56.400 -0.010 0.000 0.816 214 E CB -0.648 29.055 29.700 0.004 0.000 0.762 214 E HN 0.436 nan 8.360 nan 0.000 0.451 215 A N 1.061 123.820 122.820 -0.101 0.000 1.896 215 A HA -0.290 4.031 4.320 0.001 0.000 0.220 215 A C 2.301 179.758 177.584 -0.211 0.000 1.206 215 A CA 2.129 54.078 52.037 -0.147 0.000 0.647 215 A CB -0.810 18.088 19.000 -0.171 0.000 0.828 215 A HN 0.258 nan 8.150 nan 0.000 0.455 216 R N -0.955 119.340 120.500 -0.342 0.000 2.357 216 R HA -0.001 4.340 4.340 0.001 0.000 0.202 216 R C 1.379 177.581 176.300 -0.163 0.000 1.047 216 R CA 0.779 56.684 56.100 -0.326 0.000 1.034 216 R CB -0.658 29.354 30.300 -0.480 0.000 0.875 216 R HN 0.912 nan 8.270 nan 0.000 0.473 217 G N 1.057 109.790 108.800 -0.112 0.000 2.155 217 G HA2 -0.334 3.626 3.960 0.001 0.000 0.257 217 G HA3 -0.334 3.626 3.960 0.001 0.000 0.257 217 G C 0.269 175.135 174.900 -0.057 0.000 0.983 217 G CA 0.578 45.636 45.100 -0.070 0.000 0.676 217 G HN 0.397 nan 8.290 nan 0.000 0.528 218 R N 0.091 120.563 120.500 -0.045 0.000 2.547 218 R HA 0.648 4.988 4.340 0.001 0.000 0.280 218 R C 0.691 177.079 176.300 0.147 0.000 1.630 218 R CA 0.225 56.313 56.100 -0.019 0.000 1.470 218 R CB 0.085 30.278 30.300 -0.178 0.000 1.178 218 R HN 0.674 nan 8.270 nan 0.000 0.591 219 A N 3.079 125.973 122.820 0.123 0.000 2.425 219 A HA 0.276 4.597 4.320 0.001 0.000 0.242 219 A C -0.360 177.361 177.584 0.227 0.000 1.077 219 A CA -0.145 51.981 52.037 0.148 0.000 0.781 219 A CB 0.313 19.355 19.000 0.071 0.000 1.020 219 A HN 0.671 nan 8.150 nan 0.000 0.494 220 L N 2.645 123.953 121.223 0.142 0.000 2.272 220 L HA 0.272 4.613 4.340 0.001 0.000 0.284 220 L C 0.795 177.650 176.870 -0.026 0.000 1.045 220 L CA -0.194 54.665 54.840 0.032 0.000 0.842 220 L CB 0.926 42.941 42.059 -0.073 0.000 1.224 220 L HN 0.818 nan 8.230 nan 0.000 0.430 221 S N 2.594 118.292 115.700 -0.003 0.000 2.614 221 S HA 0.370 4.840 4.470 0.001 0.000 0.265 221 S C -1.744 172.795 174.600 -0.101 0.000 1.303 221 S CA -1.148 57.029 58.200 -0.038 0.000 1.000 221 S CB 0.779 63.976 63.200 -0.004 0.000 0.935 221 S HN 0.299 nan 8.310 nan 0.000 0.551 222 P HA -0.233 nan 4.420 nan 0.000 0.217 222 P C 1.482 178.717 177.300 -0.109 0.000 1.162 222 P CA 1.848 64.862 63.100 -0.143 0.000 0.901 222 P CB -0.041 31.600 31.700 -0.099 0.000 0.793 223 E N -0.656 119.510 120.200 -0.057 0.000 2.085 223 E HA -0.227 4.124 4.350 0.001 0.000 0.194 223 E C 1.598 178.192 176.600 -0.011 0.000 0.994 223 E CA 1.392 57.778 56.400 -0.023 0.000 0.801 223 E CB -0.386 29.314 29.700 -0.000 0.000 0.743 223 E HN 0.189 nan 8.360 nan 0.000 0.453 224 D N 0.001 120.394 120.400 -0.012 0.000 2.144 224 D HA -0.132 4.509 4.640 0.001 0.000 0.200 224 D C 2.055 178.330 176.300 -0.041 0.000 0.978 224 D CA 0.777 54.780 54.000 0.004 0.000 0.833 224 D CB -0.123 40.688 40.800 0.018 0.000 0.961 224 D HN 0.236 nan 8.370 nan 0.000 0.470 225 R N 0.806 121.234 120.500 -0.120 0.000 2.092 225 R HA -0.005 4.336 4.340 0.001 0.000 0.231 225 R C 2.312 178.631 176.300 0.033 0.000 1.119 225 R CA 0.986 57.003 56.100 -0.138 0.000 0.970 225 R CB -0.231 29.686 30.300 -0.639 0.000 0.864 225 R HN 0.068 nan 8.270 nan 0.000 0.440 226 A N 1.374 124.182 122.820 -0.020 0.000 1.933 226 A HA -0.190 4.130 4.320 0.001 0.000 0.218 226 A C 2.178 179.798 177.584 0.060 0.000 1.175 226 A CA 1.361 53.410 52.037 0.019 0.000 0.628 226 A CB -0.408 18.590 19.000 -0.004 0.000 0.814 226 A HN 0.207 nan 8.150 nan 0.000 0.444 227 R N -0.445 120.093 120.500 0.063 0.000 2.092 227 R HA 0.017 4.358 4.340 0.001 0.000 0.231 227 R C 1.876 178.241 176.300 0.107 0.000 1.119 227 R CA 1.391 57.539 56.100 0.080 0.000 0.970 227 R CB -0.344 30.008 30.300 0.086 0.000 0.864 227 R HN 0.551 nan 8.270 nan 0.000 0.440 228 I N 0.791 121.448 120.570 0.145 0.000 2.252 228 I HA -0.277 3.894 4.170 0.001 0.000 0.245 228 I C 2.289 178.502 176.117 0.160 0.000 1.102 228 I CA 1.452 62.869 61.300 0.195 0.000 1.385 228 I CB -0.444 37.754 38.000 0.331 0.000 1.064 228 I HN 0.355 nan 8.210 nan 0.000 0.414 229 D N 0.997 121.511 120.400 0.191 0.000 2.104 229 D HA -0.287 4.354 4.640 0.001 0.000 0.194 229 D C 2.000 178.323 176.300 0.038 0.000 0.994 229 D CA 1.661 55.716 54.000 0.090 0.000 0.830 229 D CB 0.043 40.928 40.800 0.141 0.000 0.959 229 D HN 0.420 nan 8.370 nan 0.000 0.452 230 E N -0.329 119.908 120.200 0.061 0.000 2.110 230 E HA -0.126 4.225 4.350 0.001 0.000 0.193 230 E C 2.133 178.764 176.600 0.051 0.000 0.988 230 E CA 1.180 57.612 56.400 0.054 0.000 0.804 230 E CB -0.394 29.341 29.700 0.058 0.000 0.745 230 E HN 0.347 nan 8.360 nan 0.000 0.458 231 G N 0.582 109.420 108.800 0.062 0.000 2.476 231 G HA2 -0.284 3.677 3.960 0.001 0.000 0.218 231 G HA3 -0.284 3.677 3.960 0.001 0.000 0.218 231 G C 1.616 176.537 174.900 0.034 0.000 1.164 231 G CA 1.279 46.416 45.100 0.061 0.000 0.768 231 G HN 0.244 nan 8.290 nan 0.000 0.560 232 V N 0.457 120.378 119.914 0.011 0.000 2.255 232 V HA -0.085 4.035 4.120 0.001 0.000 0.243 232 V C 2.728 178.791 176.094 -0.052 0.000 1.038 232 V CA 2.044 64.326 62.300 -0.030 0.000 1.008 232 V CB -0.580 31.173 31.823 -0.117 0.000 0.645 232 V HN 0.362 nan 8.190 nan 0.000 0.449 233 R N 0.216 120.688 120.500 -0.047 0.000 2.091 233 R HA -0.112 4.229 4.340 0.001 0.000 0.238 233 R C 1.996 178.281 176.300 -0.025 0.000 1.136 233 R CA 1.587 57.663 56.100 -0.039 0.000 0.959 233 R CB -0.064 30.237 30.300 0.001 0.000 0.856 233 R HN 0.387 nan 8.270 nan 0.000 0.437 234 R N -0.626 119.896 120.500 0.036 0.000 2.515 234 R HA 0.212 4.553 4.340 0.001 0.000 0.294 234 R C 1.256 177.561 176.300 0.009 0.000 1.021 234 R CA 0.229 56.404 56.100 0.125 0.000 1.081 234 R CB 0.881 31.325 30.300 0.240 0.000 1.263 234 R HN 0.206 nan 8.270 nan 0.000 0.557 235 A N 1.249 124.026 122.820 -0.072 0.000 1.877 235 A HA -0.136 4.184 4.320 0.001 0.000 0.216 235 A C 2.307 179.831 177.584 -0.100 0.000 1.186 235 A CA 1.814 53.818 52.037 -0.054 0.000 0.620 235 A CB -0.337 18.639 19.000 -0.040 0.000 0.822 235 A HN 0.379 nan 8.150 nan 0.000 0.443 236 A N -1.328 121.351 122.820 -0.236 0.000 1.972 236 A HA -0.026 4.295 4.320 0.001 0.000 0.219 236 A C 2.052 179.536 177.584 -0.167 0.000 1.169 236 A CA 1.571 53.464 52.037 -0.239 0.000 0.635 236 A CB -0.743 18.050 19.000 -0.345 0.000 0.810 236 A HN 0.586 nan 8.150 nan 0.000 0.446 237 Y N -0.250 120.044 120.300 -0.011 0.000 2.163 237 Y HA -0.095 4.456 4.550 0.001 0.000 0.288 237 Y C 2.570 178.469 175.900 -0.001 0.000 1.136 237 Y CA 1.167 59.263 58.100 -0.007 0.000 1.147 237 Y CB -0.660 37.794 38.460 -0.010 0.000 0.987 237 Y HN 0.192 nan 8.280 nan 0.000 0.509 238 R N 0.123 120.712 120.500 0.148 0.000 2.083 238 R HA -0.182 4.159 4.340 0.001 0.000 0.237 238 R C 2.200 178.530 176.300 0.050 0.000 1.137 238 R CA 2.075 58.225 56.100 0.084 0.000 0.951 238 R CB -0.734 29.603 30.300 0.062 0.000 0.851 238 R HN 0.356 nan 8.270 nan 0.000 0.434 239 I N 0.390 120.972 120.570 0.021 0.000 2.252 239 I HA -0.258 3.913 4.170 0.001 0.000 0.245 239 I C 2.244 178.363 176.117 0.004 0.000 1.102 239 I CA 1.172 62.468 61.300 -0.005 0.000 1.385 239 I CB -0.177 37.797 38.000 -0.043 0.000 1.064 239 I HN 0.127 nan 8.210 nan 0.000 0.414 240 I N 0.546 121.131 120.570 0.024 0.000 2.226 240 I HA -0.295 3.876 4.170 0.001 0.000 0.245 240 I C 2.498 178.646 176.117 0.052 0.000 1.100 240 I CA 1.470 62.797 61.300 0.044 0.000 1.374 240 I CB -0.233 37.811 38.000 0.074 0.000 1.057 240 I HN 0.196 nan 8.210 nan 0.000 0.413 241 E N 0.635 120.872 120.200 0.061 0.000 2.204 241 E HA -0.142 4.209 4.350 0.001 0.000 0.194 241 E C 2.120 178.744 176.600 0.040 0.000 0.989 241 E CA 1.282 57.712 56.400 0.051 0.000 0.824 241 E CB -0.127 29.605 29.700 0.054 0.000 0.756 241 E HN 0.482 nan 8.360 nan 0.000 0.477 242 G N 0.353 109.175 108.800 0.036 0.000 2.492 242 G HA2 -0.158 3.802 3.960 0.001 0.000 0.214 242 G HA3 -0.158 3.802 3.960 0.001 0.000 0.214 242 G C 1.197 176.116 174.900 0.032 0.000 1.147 242 G CA 0.811 45.930 45.100 0.031 0.000 0.809 242 G HN 0.308 nan 8.290 nan 0.000 0.533 243 K N -1.957 118.460 120.400 0.029 0.000 2.562 243 K HA 0.473 4.794 4.320 0.001 0.000 0.201 243 K C 1.200 177.834 176.600 0.058 0.000 1.131 243 K CA 0.577 56.889 56.287 0.041 0.000 1.059 243 K CB 0.615 33.133 32.500 0.031 0.000 0.913 243 K HN 0.401 nan 8.250 nan 0.000 0.563 244 G N 0.109 108.940 108.800 0.052 0.000 2.299 244 G HA2 -0.186 3.774 3.960 0.001 0.000 0.237 244 G HA3 -0.186 3.774 3.960 0.001 0.000 0.237 244 G C 0.249 175.194 174.900 0.075 0.000 1.027 244 G CA -0.072 45.066 45.100 0.063 0.000 0.619 244 G HN 0.936 nan 8.290 nan 0.000 0.513 245 A N -1.222 121.648 122.820 0.085 0.000 2.610 245 A HA 0.950 5.270 4.320 0.001 0.000 0.291 245 A C -0.178 177.404 177.584 -0.002 0.000 1.086 245 A CA 0.824 52.920 52.037 0.099 0.000 0.677 245 A CB 1.007 20.130 19.000 0.204 0.000 1.278 245 A HN 1.898 nan 8.150 nan 0.000 0.414 246 T N -1.374 113.173 114.554 -0.011 0.000 2.855 246 T HA 0.672 5.023 4.350 0.001 0.000 0.281 246 T C -0.104 174.567 174.700 -0.047 0.000 1.007 246 T CA 0.377 62.387 62.100 -0.150 0.000 1.009 246 T CB 0.908 69.722 68.868 -0.090 0.000 0.983 246 T HN 1.675 nan 8.240 nan 0.000 0.455 247 Y N 0.222 120.444 120.300 -0.130 0.000 2.551 247 Y HA 0.308 4.859 4.550 0.001 0.000 0.297 247 Y C 1.160 176.995 175.900 -0.107 0.000 0.968 247 Y CA -0.713 57.291 58.100 -0.160 0.000 1.039 247 Y CB -0.343 37.965 38.460 -0.252 0.000 1.418 247 Y HN 0.510 nan 8.280 nan 0.000 0.589 248 Y N 2.183 122.458 120.300 -0.041 0.000 2.184 248 Y HA 0.160 4.711 4.550 0.001 0.000 0.290 248 Y C 2.633 178.551 175.900 0.031 0.000 1.129 248 Y CA 1.586 59.721 58.100 0.058 0.000 1.144 248 Y CB -0.891 37.562 38.460 -0.011 0.000 0.995 248 Y HN 0.313 nan 8.280 nan 0.000 0.513 249 G N -0.137 108.746 108.800 0.139 0.000 2.433 249 G HA2 -0.275 3.686 3.960 0.001 0.000 0.216 249 G HA3 -0.275 3.686 3.960 0.001 0.000 0.216 249 G C 1.725 176.659 174.900 0.055 0.000 1.186 249 G CA 1.154 46.301 45.100 0.078 0.000 0.779 249 G HN 0.373 nan 8.290 nan 0.000 0.543 250 I N 1.700 122.293 120.570 0.040 0.000 2.394 250 I HA 0.070 4.241 4.170 0.001 0.000 0.251 250 I C 2.724 178.859 176.117 0.030 0.000 1.136 250 I CA 1.499 62.807 61.300 0.014 0.000 1.425 250 I CB -0.579 37.420 38.000 -0.001 0.000 1.079 250 I HN 0.103 nan 8.210 nan 0.000 0.425 251 G N 0.088 108.934 108.800 0.077 0.000 2.440 251 G HA2 -0.299 3.662 3.960 0.001 0.000 0.218 251 G HA3 -0.299 3.662 3.960 0.001 0.000 0.218 251 G C 1.734 176.675 174.900 0.067 0.000 1.154 251 G CA 0.821 45.975 45.100 0.089 0.000 0.767 251 G HN 0.586 nan 8.290 nan 0.000 0.552 252 A N 0.717 123.583 122.820 0.076 0.000 1.898 252 A HA 0.223 4.544 4.320 0.001 0.000 0.216 252 A C 2.710 180.296 177.584 0.004 0.000 1.181 252 A CA 1.964 54.026 52.037 0.043 0.000 0.620 252 A CB -0.978 18.051 19.000 0.049 0.000 0.819 252 A HN 0.523 nan 8.150 nan 0.000 0.442 253 G N -0.127 108.671 108.800 -0.003 0.000 2.418 253 G HA2 -0.148 3.813 3.960 0.001 0.000 0.217 253 G HA3 -0.148 3.813 3.960 0.001 0.000 0.217 253 G C 1.553 176.406 174.900 -0.079 0.000 1.158 253 G CA 1.017 46.093 45.100 -0.041 0.000 0.771 253 G HN 0.421 nan 8.290 nan 0.000 0.545 254 L N 0.607 121.796 121.223 -0.056 0.000 2.056 254 L HA -0.039 4.302 4.340 0.001 0.000 0.207 254 L C 3.413 180.241 176.870 -0.070 0.000 1.078 254 L CA 0.990 55.790 54.840 -0.067 0.000 0.749 254 L CB -0.429 41.607 42.059 -0.038 0.000 0.901 254 L HN 0.304 nan 8.230 nan 0.000 0.433 255 A N 0.185 122.979 122.820 -0.044 0.000 1.933 255 A HA -0.260 4.060 4.320 0.001 0.000 0.218 255 A C 2.347 179.890 177.584 -0.067 0.000 1.175 255 A CA 1.942 53.954 52.037 -0.042 0.000 0.628 255 A CB -0.485 18.503 19.000 -0.019 0.000 0.814 255 A HN 0.316 nan 8.150 nan 0.000 0.444 256 R N -0.177 120.271 120.500 -0.085 0.000 2.090 256 R HA 0.072 4.412 4.340 0.001 0.000 0.228 256 R C 1.855 178.023 176.300 -0.221 0.000 1.110 256 R CA 1.322 57.353 56.100 -0.115 0.000 0.973 256 R CB -0.586 29.657 30.300 -0.095 0.000 0.869 256 R HN 0.496 nan 8.270 nan 0.000 0.440 257 L N -0.441 120.616 121.223 -0.277 0.000 2.056 257 L HA -0.118 4.223 4.340 0.001 0.000 0.207 257 L C 2.228 178.992 176.870 -0.177 0.000 1.078 257 L CA 0.847 55.492 54.840 -0.325 0.000 0.749 257 L CB -0.407 41.482 42.059 -0.283 0.000 0.901 257 L HN 0.050 nan 8.230 nan 0.000 0.433 258 V N -0.021 119.821 119.914 -0.119 0.000 2.332 258 V HA -0.324 3.797 4.120 0.001 0.000 0.248 258 V C 2.676 178.731 176.094 -0.064 0.000 1.055 258 V CA 1.941 64.196 62.300 -0.075 0.000 1.038 258 V CB -0.658 31.131 31.823 -0.056 0.000 0.651 258 V HN 0.447 nan 8.190 nan 0.000 0.450 259 R N -0.024 120.434 120.500 -0.070 0.000 2.096 259 R HA -0.135 4.205 4.340 0.001 0.000 0.235 259 R C 2.299 178.579 176.300 -0.032 0.000 1.127 259 R CA 1.526 57.597 56.100 -0.048 0.000 0.968 259 R CB -0.405 29.869 30.300 -0.042 0.000 0.861 259 R HN 0.500 nan 8.270 nan 0.000 0.440 260 A N 0.707 123.499 122.820 -0.048 0.000 1.902 260 A HA -0.130 4.191 4.320 0.001 0.000 0.217 260 A C 2.067 179.652 177.584 0.002 0.000 1.181 260 A CA 1.303 53.343 52.037 0.004 0.000 0.623 260 A CB -0.389 18.612 19.000 0.002 0.000 0.818 260 A HN 0.325 nan 8.150 nan 0.000 0.443 261 I N -0.988 119.567 120.570 -0.027 0.000 2.163 261 I HA -0.202 3.969 4.170 0.001 0.000 0.240 261 I C 2.116 178.227 176.117 -0.009 0.000 1.081 261 I CA 0.898 62.189 61.300 -0.015 0.000 1.353 261 I CB -0.252 37.732 38.000 -0.026 0.000 1.054 261 I HN 0.192 nan 8.210 nan 0.000 0.407 262 L N 0.163 121.376 121.223 -0.016 0.000 2.275 262 L HA -0.137 4.204 4.340 0.001 0.000 0.215 262 L C 2.453 179.317 176.870 -0.009 0.000 1.119 262 L CA 1.955 56.788 54.840 -0.013 0.000 0.790 262 L CB -1.002 41.046 42.059 -0.019 0.000 0.919 262 L HN 0.438 nan 8.230 nan 0.000 0.443 263 T N -5.764 108.787 114.554 -0.007 0.000 3.086 263 T HA 0.083 4.434 4.350 0.001 0.000 0.250 263 T C 0.727 175.430 174.700 0.006 0.000 1.074 263 T CA 0.249 62.348 62.100 -0.002 0.000 0.988 263 T CB -0.122 68.744 68.868 -0.002 0.000 0.988 263 T HN 0.194 nan 8.240 nan 0.000 0.530 264 D N 1.546 121.951 120.400 0.010 0.000 2.705 264 D HA -0.184 4.457 4.640 0.001 0.000 0.240 264 D C 0.644 176.958 176.300 0.023 0.000 1.137 264 D CA 0.915 54.925 54.000 0.015 0.000 0.677 264 D CB -1.459 39.347 40.800 0.011 0.000 1.049 264 D HN 0.757 nan 8.370 nan 0.000 0.427 265 E N 1.114 121.336 120.200 0.037 0.000 2.110 265 E HA -0.221 4.130 4.350 0.001 0.000 0.193 265 E C 0.432 177.058 176.600 0.045 0.000 0.988 265 E CA 1.305 57.734 56.400 0.049 0.000 0.804 265 E CB 0.109 29.861 29.700 0.087 0.000 0.745 265 E HN 0.333 nan 8.360 nan 0.000 0.458 266 K N -0.277 120.153 120.400 0.051 0.000 3.125 266 K HA -0.140 4.180 4.320 0.001 0.000 0.268 266 K C -0.070 176.544 176.600 0.024 0.000 1.078 266 K CA 0.778 57.086 56.287 0.035 0.000 0.775 266 K CB -2.451 30.058 32.500 0.015 0.000 1.253 266 K HN 0.343 nan 8.250 nan 0.000 0.486 267 G N -0.191 108.652 108.800 0.071 0.000 2.504 267 G HA2 0.513 4.474 3.960 0.001 0.000 0.288 267 G HA3 0.513 4.474 3.960 0.001 0.000 0.288 267 G C -0.194 174.614 174.900 -0.154 0.000 1.182 267 G CA -0.602 44.475 45.100 -0.040 0.000 0.894 267 G HN 0.038 nan 8.290 nan 0.000 0.521 268 V N 1.192 120.850 119.914 -0.426 0.000 2.370 268 V HA 0.485 4.605 4.120 0.001 0.000 0.283 268 V C -1.026 174.700 176.094 -0.613 0.000 1.023 268 V CA -0.389 61.709 62.300 -0.337 0.000 0.857 268 V CB 0.364 32.067 31.823 -0.200 0.000 0.985 268 V HN 0.610 nan 8.190 nan 0.000 0.443 269 Y N 1.126 121.401 120.300 -0.041 0.000 2.553 269 Y HA 0.480 5.030 4.550 0.001 0.000 0.347 269 Y C 0.597 176.441 175.900 -0.093 0.000 1.019 269 Y CA -1.132 56.940 58.100 -0.047 0.000 1.032 269 Y CB 2.123 40.559 38.460 -0.041 0.000 1.284 269 Y HN 0.611 nan 8.280 nan 0.000 0.466 270 T N 0.735 115.318 114.554 0.047 0.000 2.863 270 T HA 0.572 4.922 4.350 0.001 0.000 0.299 270 T C -0.278 174.405 174.700 -0.028 0.000 0.973 270 T CA -0.449 61.608 62.100 -0.070 0.000 0.994 270 T CB -1.004 67.782 68.868 -0.138 0.000 0.961 270 T HN 0.605 nan 8.240 nan 0.000 0.552 271 V N -0.033 119.858 119.914 -0.039 0.000 3.155 271 V HA 0.877 4.997 4.120 0.001 0.000 0.313 271 V C -0.040 176.018 176.094 -0.060 0.000 1.162 271 V CA -1.229 61.044 62.300 -0.045 0.000 1.048 271 V CB 1.632 33.435 31.823 -0.033 0.000 1.092 271 V HN 0.709 nan 8.190 nan 0.000 0.447 272 S N 0.442 116.112 115.700 -0.050 0.000 2.508 272 S HA 0.895 5.365 4.470 0.001 0.000 0.284 272 S C -0.278 174.303 174.600 -0.032 0.000 1.192 272 S CA 0.356 58.532 58.200 -0.041 0.000 1.070 272 S CB 0.697 63.882 63.200 -0.024 0.000 1.004 272 S HN 2.103 nan 8.310 nan 0.000 0.493 273 A N 3.308 126.104 122.820 -0.039 0.000 2.612 273 A HA 0.610 4.931 4.320 0.001 0.000 0.293 273 A C -1.170 176.391 177.584 -0.037 0.000 1.075 273 A CA -0.808 51.212 52.037 -0.029 0.000 0.680 273 A CB 0.461 19.435 19.000 -0.043 0.000 1.279 273 A HN 0.890 nan 8.150 nan 0.000 0.411 274 F N 2.013 121.823 119.950 -0.234 0.000 2.571 274 F HA 0.430 4.957 4.527 0.001 0.000 0.384 274 F C 0.333 176.020 175.800 -0.188 0.000 1.058 274 F CA 1.222 59.046 58.000 -0.293 0.000 1.200 274 F CB 0.538 39.063 39.000 -0.791 0.000 1.077 274 F HN 0.431 nan 8.300 nan 0.000 0.558 275 T N 8.655 122.804 114.554 -0.676 0.000 2.812 275 T HA 0.254 4.605 4.350 0.001 0.000 0.282 275 T C -1.891 172.497 174.700 -0.521 0.000 0.990 275 T CA -1.148 60.716 62.100 -0.393 0.000 0.960 275 T CB 1.782 70.540 68.868 -0.184 0.000 0.948 275 T HN 0.303 nan 8.240 nan 0.000 0.438 276 P HA -0.076 nan 4.420 nan 0.000 0.215 276 P C 0.316 177.536 177.300 -0.132 0.000 1.157 276 P CA 1.206 64.212 63.100 -0.156 0.000 0.868 276 P CB 0.389 32.075 31.700 -0.023 0.000 0.788 277 E N -0.452 119.694 120.200 -0.090 0.000 2.354 277 E HA 0.409 4.760 4.350 0.001 0.000 0.283 277 E C -1.917 174.662 176.600 -0.035 0.000 0.938 277 E CA -0.858 55.495 56.400 -0.078 0.000 0.777 277 E CB 2.353 31.999 29.700 -0.090 0.000 1.222 277 E HN -0.137 nan 8.360 nan 0.000 0.423 278 V N 0.819 120.725 119.914 -0.014 0.000 2.697 278 V HA 0.471 4.591 4.120 0.001 0.000 0.300 278 V C -0.097 176.004 176.094 0.012 0.000 1.115 278 V CA -0.768 61.559 62.300 0.045 0.000 0.912 278 V CB 1.682 33.556 31.823 0.085 0.000 1.024 278 V HN 0.711 nan 8.190 nan 0.000 0.431 279 E N 3.275 123.483 120.200 0.013 0.000 2.365 279 E HA -0.285 4.065 4.350 0.001 0.000 0.237 279 E C 1.429 178.021 176.600 -0.014 0.000 1.238 279 E CA 1.912 58.312 56.400 0.001 0.000 0.718 279 E CB -1.473 28.234 29.700 0.013 0.000 1.218 279 E HN 2.285 nan 8.360 nan 0.000 0.387 280 G N -2.251 106.532 108.800 -0.028 0.000 2.241 280 G HA2 -0.360 3.600 3.960 0.001 0.000 0.244 280 G HA3 -0.360 3.600 3.960 0.001 0.000 0.244 280 G C 0.411 175.292 174.900 -0.032 0.000 0.998 280 G CA 0.068 45.149 45.100 -0.031 0.000 0.621 280 G HN 0.372 nan 8.290 nan 0.000 0.519 281 V N 2.627 122.523 119.914 -0.029 0.000 2.555 281 V HA 0.525 4.645 4.120 0.001 0.000 0.286 281 V C 1.013 177.081 176.094 -0.044 0.000 1.044 281 V CA -0.143 62.137 62.300 -0.033 0.000 1.026 281 V CB 1.361 33.169 31.823 -0.026 0.000 0.981 281 V HN 0.358 nan 8.190 nan 0.000 0.480 282 L N 4.287 125.486 121.223 -0.039 0.000 2.360 282 L HA 0.534 4.875 4.340 0.001 0.000 0.271 282 L C 0.608 177.449 176.870 -0.047 0.000 1.057 282 L CA -0.570 54.245 54.840 -0.041 0.000 0.803 282 L CB 0.829 42.882 42.059 -0.010 0.000 1.207 282 L HN 0.746 nan 8.230 nan 0.000 0.445 286 S N 5.925 121.613 115.700 -0.020 0.000 2.422 286 S HA 0.895 5.366 4.470 0.001 0.000 0.308 286 S C -0.702 173.890 174.600 -0.013 0.000 1.097 286 S CA -0.467 57.728 58.200 -0.009 0.000 1.099 286 S CB 0.931 64.184 63.200 0.088 0.000 0.976 286 S HN 1.112 nan 8.310 nan 0.000 0.471 287 L N 0.211 121.409 121.223 -0.043 0.000 2.801 287 L HA 0.725 5.066 4.340 0.001 0.000 0.264 287 L C -0.368 176.466 176.870 -0.060 0.000 1.086 287 L CA -0.875 53.945 54.840 -0.034 0.000 0.920 287 L CB 0.667 42.710 42.059 -0.028 0.000 1.529 287 L HN 0.279 nan 8.230 nan 0.000 0.399 288 S N 0.719 116.383 115.700 -0.059 0.000 2.489 288 S HA 0.857 5.328 4.470 0.001 0.000 0.277 288 S C -0.357 174.158 174.600 -0.142 0.000 1.230 288 S CA -0.295 57.851 58.200 -0.089 0.000 1.053 288 S CB -0.188 62.971 63.200 -0.068 0.000 0.955 288 S HN 0.476 nan 8.310 nan 0.000 0.488 289 L N 3.849 124.958 121.223 -0.189 0.000 2.341 289 L HA 0.545 4.885 4.340 0.001 0.000 0.254 289 L C -2.595 174.106 176.870 -0.281 0.000 1.040 289 L CA -2.954 51.724 54.840 -0.270 0.000 0.837 289 L CB 1.901 43.752 42.059 -0.348 0.000 1.425 289 L HN 0.314 nan 8.230 nan 0.000 0.414 290 P HA 0.215 nan 4.420 nan 0.000 0.267 290 P C -1.286 175.902 177.300 -0.187 0.000 1.209 290 P CA 0.083 63.024 63.100 -0.266 0.000 0.763 290 P CB 0.447 31.998 31.700 -0.249 0.000 0.816 291 R N 2.700 123.132 120.500 -0.113 0.000 2.771 291 R HA 0.561 4.902 4.340 0.001 0.000 0.274 291 R C -0.654 175.636 176.300 -0.017 0.000 0.987 291 R CA -1.075 54.981 56.100 -0.073 0.000 0.908 291 R CB 1.698 31.961 30.300 -0.062 0.000 1.213 291 R HN 0.343 nan 8.270 nan 0.000 0.468 292 I N 2.809 123.372 120.570 -0.010 0.000 2.325 292 I HA 0.177 4.348 4.170 0.001 0.000 0.291 292 I C -0.470 175.678 176.117 0.053 0.000 1.019 292 I CA -0.246 61.063 61.300 0.015 0.000 1.302 292 I CB 0.842 38.841 38.000 -0.001 0.000 1.401 292 I HN 0.171 nan 8.210 nan 0.000 0.485 293 L N 6.193 127.484 121.223 0.114 0.000 2.282 293 L HA 0.722 5.062 4.340 0.001 0.000 0.288 293 L C 0.520 177.436 176.870 0.078 0.000 1.033 293 L CA 0.146 55.050 54.840 0.108 0.000 0.807 293 L CB 0.721 42.878 42.059 0.163 0.000 1.209 293 L HN 0.782 nan 8.230 nan 0.000 0.423 294 G N 1.457 110.282 108.800 0.042 0.000 2.947 294 G HA2 0.487 4.447 3.960 0.001 0.000 0.293 294 G HA3 0.487 4.447 3.960 0.001 0.000 0.293 294 G C 0.461 175.372 174.900 0.017 0.000 1.243 294 G CA 0.262 45.380 45.100 0.031 0.000 0.802 294 G HN 0.519 nan 8.290 nan 0.000 0.560 295 A N -0.919 121.909 122.820 0.014 0.000 2.070 295 A HA 0.241 4.562 4.320 0.001 0.000 0.220 295 A C 2.121 179.710 177.584 0.009 0.000 1.159 295 A CA 2.344 54.387 52.037 0.009 0.000 0.656 295 A CB -0.577 18.429 19.000 0.009 0.000 0.800 295 A HN 1.452 nan 8.150 nan 0.000 0.453 296 G N -2.205 106.603 108.800 0.013 0.000 3.284 296 G HA2 0.461 4.422 3.960 0.001 0.000 0.236 296 G HA3 0.461 4.422 3.960 0.001 0.000 0.236 296 G C 0.944 175.853 174.900 0.015 0.000 1.158 296 G CA 0.616 45.725 45.100 0.015 0.000 0.774 296 G HN 1.491 nan 8.290 nan 0.000 0.545 297 G N -0.536 108.271 108.800 0.011 0.000 2.603 297 G HA2 -0.204 3.756 3.960 0.001 0.000 0.245 297 G HA3 -0.204 3.756 3.960 0.001 0.000 0.245 297 G C -0.182 174.726 174.900 0.012 0.000 1.195 297 G CA -0.153 44.952 45.100 0.008 0.000 0.953 297 G HN 0.704 nan 8.290 nan 0.000 0.566 298 V N 2.736 122.656 119.914 0.009 0.000 2.427 298 V HA 0.467 4.587 4.120 0.001 0.000 0.268 298 V C 0.641 176.742 176.094 0.011 0.000 1.046 298 V CA 0.513 62.818 62.300 0.008 0.000 0.970 298 V CB 0.756 32.575 31.823 -0.006 0.000 1.001 298 V HN 0.627 nan 8.190 nan 0.000 0.476 302 T N 0.283 114.811 114.554 -0.044 0.000 2.886 302 T HA 0.636 4.986 4.350 0.001 0.000 0.292 302 T C -0.294 174.297 174.700 -0.182 0.000 1.012 302 T CA -0.480 61.523 62.100 -0.161 0.000 0.982 302 T CB 1.896 70.617 68.868 -0.244 0.000 1.018 302 T HN 0.641 nan 8.240 nan 0.000 0.451 303 V N 3.043 122.799 119.914 -0.264 0.000 2.483 303 V HA 0.444 4.565 4.120 0.001 0.000 0.295 303 V C -1.224 174.648 176.094 -0.370 0.000 1.035 303 V CA -0.912 61.284 62.300 -0.174 0.000 0.896 303 V CB 0.960 32.735 31.823 -0.080 0.000 0.986 303 V HN 0.837 nan 8.190 nan 0.000 0.447 304 Y N 4.461 124.750 120.300 -0.020 0.000 2.721 304 Y HA 0.494 5.044 4.550 0.001 0.000 0.328 304 Y C -1.897 174.006 175.900 0.005 0.000 1.003 304 Y CA -2.831 55.259 58.100 -0.017 0.000 1.275 304 Y CB 0.243 38.692 38.460 -0.018 0.000 1.097 304 Y HN 0.531 nan 8.280 nan 0.000 0.514 305 P HA 0.127 nan 4.420 nan 0.000 0.269 305 P C -0.283 177.085 177.300 0.113 0.000 1.209 305 P CA -0.285 62.881 63.100 0.111 0.000 0.776 305 P CB 0.888 32.678 31.700 0.150 0.000 0.876 306 S N 1.309 117.067 115.700 0.096 0.000 2.531 306 S HA 0.299 4.770 4.470 0.001 0.000 0.279 306 S C 0.240 174.892 174.600 0.087 0.000 1.305 306 S CA -0.270 57.977 58.200 0.079 0.000 1.058 306 S CB -0.287 62.949 63.200 0.060 0.000 0.899 306 S HN 0.256 nan 8.310 nan 0.000 0.493 307 L N 1.925 123.196 121.223 0.081 0.000 2.333 307 L HA 0.521 4.862 4.340 0.001 0.000 0.263 307 L C 0.612 177.524 176.870 0.070 0.000 1.014 307 L CA -0.954 53.939 54.840 0.088 0.000 0.820 307 L CB 1.944 44.060 42.059 0.094 0.000 1.352 307 L HN 0.705 nan 8.230 nan 0.000 0.421 308 S N 0.150 115.896 115.700 0.075 0.000 2.580 308 S HA 0.168 4.638 4.470 0.001 0.000 0.266 308 S C -1.997 172.634 174.600 0.053 0.000 1.354 308 S CA -0.753 57.484 58.200 0.061 0.000 1.008 308 S CB 0.641 63.882 63.200 0.068 0.000 0.898 308 S HN 0.432 nan 8.310 nan 0.000 0.555 309 P HA -0.126 nan 4.420 nan 0.000 0.216 309 P C 1.440 178.761 177.300 0.035 0.000 1.150 309 P CA 1.573 64.692 63.100 0.033 0.000 0.843 309 P CB 0.017 31.731 31.700 0.024 0.000 0.787 310 E N 0.011 120.235 120.200 0.039 0.000 2.106 310 E HA -0.195 4.155 4.350 0.001 0.000 0.192 310 E C 1.737 178.369 176.600 0.053 0.000 0.984 310 E CA 1.083 57.507 56.400 0.040 0.000 0.806 310 E CB -0.261 29.462 29.700 0.038 0.000 0.750 310 E HN 0.246 nan 8.360 nan 0.000 0.458 311 E N 0.098 120.339 120.200 0.070 0.000 2.107 311 E HA -0.109 4.242 4.350 0.001 0.000 0.191 311 E C 2.209 178.848 176.600 0.064 0.000 0.982 311 E CA 0.462 56.911 56.400 0.081 0.000 0.809 311 E CB -0.021 29.743 29.700 0.107 0.000 0.756 311 E HN 0.125 nan 8.360 nan 0.000 0.459 312 R N 0.849 121.383 120.500 0.057 0.000 2.081 312 R HA -0.203 4.138 4.340 0.001 0.000 0.235 312 R C 2.269 178.590 176.300 0.035 0.000 1.131 312 R CA 1.666 57.794 56.100 0.047 0.000 0.960 312 R CB -0.000 30.325 30.300 0.041 0.000 0.856 312 R HN 0.016 nan 8.270 nan 0.000 0.436 313 E N 0.325 120.543 120.200 0.031 0.000 2.072 313 E HA -0.116 4.235 4.350 0.001 0.000 0.191 313 E C 1.607 178.220 176.600 0.023 0.000 0.985 313 E CA 1.723 58.137 56.400 0.023 0.000 0.801 313 E CB -0.201 29.511 29.700 0.020 0.000 0.750 313 E HN 0.365 nan 8.360 nan 0.000 0.452 314 A N 0.391 123.229 122.820 0.030 0.000 1.930 314 A HA -0.082 4.238 4.320 0.001 0.000 0.217 314 A C 2.175 179.774 177.584 0.024 0.000 1.175 314 A CA 1.396 53.449 52.037 0.028 0.000 0.627 314 A CB -0.705 18.317 19.000 0.036 0.000 0.815 314 A HN 0.389 nan 8.150 nan 0.000 0.443 315 L N -0.307 120.934 121.223 0.029 0.000 2.093 315 L HA -0.059 4.282 4.340 0.001 0.000 0.208 315 L C 2.387 179.268 176.870 0.017 0.000 1.085 315 L CA 1.968 56.823 54.840 0.024 0.000 0.755 315 L CB -0.586 41.492 42.059 0.032 0.000 0.904 315 L HN 0.421 nan 8.230 nan 0.000 0.435 316 R N -0.460 120.050 120.500 0.018 0.000 2.070 316 R HA -0.229 4.111 4.340 0.001 0.000 0.233 316 R C 2.460 178.764 176.300 0.007 0.000 1.137 316 R CA 2.088 58.194 56.100 0.010 0.000 0.945 316 R CB -0.228 30.077 30.300 0.008 0.000 0.845 316 R HN 0.409 nan 8.270 nan 0.000 0.430 317 R N 0.338 120.843 120.500 0.009 0.000 2.103 317 R HA -0.139 4.201 4.340 0.001 0.000 0.242 317 R C 2.239 178.545 176.300 0.009 0.000 1.142 317 R CA 2.173 58.278 56.100 0.008 0.000 0.960 317 R CB -1.765 28.541 30.300 0.010 0.000 0.858 317 R HN 0.431 nan 8.270 nan 0.000 0.439 318 S N -0.417 115.289 115.700 0.010 0.000 2.368 318 S HA -0.011 4.460 4.470 0.001 0.000 0.225 318 S C 2.386 176.991 174.600 0.009 0.000 1.030 318 S CA 1.513 59.718 58.200 0.009 0.000 0.999 318 S CB -0.508 62.696 63.200 0.007 0.000 0.844 318 S HN 0.876 nan 8.310 nan 0.000 0.459 319 A N 0.817 123.640 122.820 0.006 0.000 1.898 319 A HA 0.034 4.355 4.320 0.001 0.000 0.216 319 A C 2.114 179.701 177.584 0.006 0.000 1.181 319 A CA 2.016 54.054 52.037 0.002 0.000 0.620 319 A CB -1.439 17.559 19.000 -0.004 0.000 0.819 319 A HN 0.724 nan 8.150 nan 0.000 0.442 320 E N 0.161 120.363 120.200 0.003 0.000 2.106 320 E HA -0.095 4.255 4.350 0.001 0.000 0.192 320 E C 1.805 178.413 176.600 0.014 0.000 0.984 320 E CA 1.276 57.677 56.400 0.001 0.000 0.806 320 E CB -0.847 28.850 29.700 -0.005 0.000 0.750 320 E HN 0.700 nan 8.360 nan 0.000 0.458 321 I N 0.051 120.631 120.570 0.017 0.000 2.208 321 I HA -0.242 3.929 4.170 0.001 0.000 0.245 321 I C 2.715 178.856 176.117 0.040 0.000 1.097 321 I CA 1.293 62.609 61.300 0.026 0.000 1.363 321 I CB -0.140 37.873 38.000 0.022 0.000 1.051 321 I HN 0.245 nan 8.210 nan 0.000 0.413 322 L N 0.249 121.495 121.223 0.038 0.000 2.109 322 L HA -0.180 4.161 4.340 0.001 0.000 0.207 322 L C 2.567 179.484 176.870 0.079 0.000 1.086 322 L CA 0.951 55.822 54.840 0.053 0.000 0.760 322 L CB -0.488 41.595 42.059 0.040 0.000 0.910 322 L HN 0.153 nan 8.230 nan 0.000 0.437 323 K N 0.880 121.320 120.400 0.066 0.000 2.057 323 K HA -0.187 4.133 4.320 0.001 0.000 0.207 323 K C 1.849 178.528 176.600 0.131 0.000 1.049 323 K CA 1.573 57.914 56.287 0.089 0.000 0.931 323 K CB -0.079 32.443 32.500 0.036 0.000 0.714 323 K HN 0.278 nan 8.250 nan 0.000 0.440 324 E N -0.308 119.948 120.200 0.093 0.000 2.051 324 E HA -0.166 4.184 4.350 0.001 0.000 0.192 324 E C 2.013 178.715 176.600 0.170 0.000 0.991 324 E CA 1.173 57.646 56.400 0.123 0.000 0.799 324 E CB -0.271 29.471 29.700 0.071 0.000 0.748 324 E HN 0.443 nan 8.360 nan 0.000 0.449 325 A N 1.437 124.332 122.820 0.125 0.000 1.940 325 A HA -0.159 4.161 4.320 0.001 0.000 0.219 325 A C 2.354 180.030 177.584 0.153 0.000 1.176 325 A CA 1.846 53.953 52.037 0.116 0.000 0.631 325 A CB -0.596 18.454 19.000 0.084 0.000 0.814 325 A HN 0.302 nan 8.150 nan 0.000 0.446 326 A N -1.455 121.479 122.820 0.190 0.000 1.897 326 A HA 0.071 4.392 4.320 0.001 0.000 0.215 326 A C 2.013 179.755 177.584 0.263 0.000 1.181 326 A CA 1.382 53.568 52.037 0.248 0.000 0.620 326 A CB -0.677 18.484 19.000 0.268 0.000 0.821 326 A HN 0.598 nan 8.150 nan 0.000 0.443 327 F N 1.310 121.326 119.950 0.110 0.000 2.095 327 F HA -0.150 4.378 4.527 0.001 0.000 0.298 327 F C 2.512 178.332 175.800 0.033 0.000 1.104 327 F CA 1.280 59.322 58.000 0.071 0.000 1.232 327 F CB -0.527 38.506 39.000 0.056 0.000 0.987 327 F HN 0.243 nan 8.300 nan 0.000 0.475 328 A N -0.425 122.465 122.820 0.116 0.000 2.093 328 A HA -0.183 4.138 4.320 0.001 0.000 0.222 328 A C 1.754 179.274 177.584 -0.106 0.000 1.162 328 A CA 1.859 53.896 52.037 -0.001 0.000 0.655 328 A CB -0.903 18.144 19.000 0.077 0.000 0.805 328 A HN 0.429 nan 8.150 nan 0.000 0.461 329 L N -1.851 119.317 121.223 -0.093 0.000 2.728 329 L HA 0.358 4.698 4.340 0.001 0.000 0.238 329 L C 1.471 178.080 176.870 -0.435 0.000 1.143 329 L CA 1.027 55.775 54.840 -0.153 0.000 0.937 329 L CB 0.250 42.342 42.059 0.056 0.000 1.225 329 L HN 0.543 nan 8.230 nan 0.000 0.507 330 G N -1.338 107.189 108.800 -0.454 0.000 2.137 330 G HA2 -0.301 3.660 3.960 0.001 0.000 0.237 330 G HA3 -0.301 3.660 3.960 0.001 0.000 0.237 330 G C 0.154 174.730 174.900 -0.540 0.000 1.002 330 G CA 0.045 44.816 45.100 -0.547 0.000 0.702 330 G HN 0.126 nan 8.290 nan 0.000 0.515 331 F N 0.000 119.934 119.950 -0.026 0.000 2.286 331 F HA 0.000 4.528 4.527 0.001 0.000 0.279 331 F CA 0.000 58.033 58.000 0.056 0.000 1.383 331 F CB 0.000 39.037 39.000 0.062 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574