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 2wsx_1_C DATA FIRST_RESID 8 DATA SEQUENCE TGIEPKVFFP PLIIVGILCW LTVRDLDAAN VVINAVFSYV TNVWGWAFEW DATA SEQUENCE YMVVMLFGWF WLVFGPYAKK RLGEEPPEFS TASWIFMMFA SCTSAAVLFW DATA SEQUENCE GSIEIYYYIS TPPFGLEPNS TGAKELGLAY SLFHWGPLPW ATYSFLSVAF DATA SEQUENCE AYFFFVRKME VIRPSSTLVP LVGEKHAKGL FGTIVDNFYL VALIFAMGTS DATA SEQUENCE LGLATPLVTE CMQWLFGIPH TLQLDAIIIT CWIILNAICV ACGLQKAVRI DATA SEQUENCE ASDVRSYLSF LMLGWVFIVS GASFIMNYFT DSVGMLLMYL PRMLFYTDPI DATA SEQUENCE AKGGFPQGWT VFYWAWWVIY AIQMSIFLAR ISRGRTVREL CFGMVLGLTA DATA SEQUENCE STWILWTVLG SNTLLLIDKN ILNIPNLIEQ YGVARAIIET WAALPLSTAT DATA SEQUENCE MWGFFILCFI ATVTLVNACS YTLAMSTCRE VRDGEDPPLL VRIGWSILVG DATA SEQUENCE IIGIVLLALG GLKPIQTAII AGGCPLFFVN IMVTLSFIKD AKQNWK 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.689 174.700 -0.018 0.000 1.109 8 T CA 0.000 62.094 62.100 -0.011 0.000 1.349 8 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 9 G N 0.778 109.568 108.800 -0.017 0.000 2.684 9 G HA2 0.591 4.546 3.960 -0.008 0.000 0.255 9 G HA3 0.591 4.546 3.960 -0.008 0.000 0.255 9 G C -0.015 174.861 174.900 -0.040 0.000 1.219 9 G CA -0.573 44.510 45.100 -0.028 0.000 0.901 9 G HN 0.700 nan 8.290 nan 0.000 0.548 10 I N 0.448 120.971 120.570 -0.078 0.000 2.697 10 I HA 0.150 4.315 4.170 -0.008 0.000 0.279 10 I C 0.313 176.366 176.117 -0.106 0.000 1.171 10 I CA -0.242 60.977 61.300 -0.135 0.000 1.135 10 I CB 0.961 38.751 38.000 -0.350 0.000 1.445 10 I HN 0.527 nan 8.210 nan 0.000 0.541 11 E N 5.674 125.871 120.200 -0.005 0.000 2.608 11 E HA -0.059 4.286 4.350 -0.008 0.000 0.259 11 E C -1.572 175.067 176.600 0.066 0.000 0.951 11 E CA -0.759 55.663 56.400 0.037 0.000 0.945 11 E CB 1.000 30.734 29.700 0.057 0.000 0.916 11 E HN 0.280 nan 8.360 nan 0.000 0.477 12 P HA -0.067 nan 4.420 nan 0.000 0.224 12 P C 0.472 177.946 177.300 0.289 0.000 1.159 12 P CA 0.928 64.169 63.100 0.236 0.000 0.824 12 P CB 0.093 32.025 31.700 0.386 0.000 0.833 13 K N 0.127 120.643 120.400 0.192 0.000 2.360 13 K HA -0.003 4.312 4.320 -0.008 0.000 0.201 13 K C 0.873 177.551 176.600 0.130 0.000 1.046 13 K CA 1.379 57.758 56.287 0.152 0.000 0.945 13 K CB -0.661 31.901 32.500 0.103 0.000 0.750 13 K HN 0.023 nan 8.250 nan 0.000 0.464 14 V N -0.381 119.615 119.914 0.138 0.000 3.432 14 V HA 0.116 4.231 4.120 -0.008 0.000 0.298 14 V C 0.859 177.045 176.094 0.153 0.000 1.464 14 V CA -0.266 62.099 62.300 0.108 0.000 1.046 14 V CB -0.234 31.633 31.823 0.073 0.000 0.887 14 V HN 0.295 nan 8.190 nan 0.000 0.441 15 F N -0.106 119.852 119.950 0.013 0.000 2.419 15 F HA 0.201 4.723 4.527 -0.008 0.000 0.283 15 F C 1.816 177.587 175.800 -0.049 0.000 1.044 15 F CA 1.135 59.120 58.000 -0.025 0.000 1.376 15 F CB 0.211 39.011 39.000 -0.333 0.000 1.131 15 F HN 0.087 nan 8.300 nan 0.000 0.585 16 F N 1.138 121.304 119.950 0.361 0.000 2.118 16 F HA 0.127 4.649 4.527 -0.009 0.000 0.293 16 F C -0.553 175.307 175.800 0.099 0.000 1.102 16 F CA 0.618 58.758 58.000 0.234 0.000 1.247 16 F CB -2.414 36.713 39.000 0.211 0.000 1.017 16 F HN -0.105 nan 8.300 nan 0.000 0.475 17 P HA -0.172 nan 4.420 nan 0.000 0.216 17 P C -1.443 175.905 177.300 0.079 0.000 1.157 17 P CA 2.290 65.464 63.100 0.123 0.000 0.880 17 P CB -1.275 30.460 31.700 0.058 0.000 0.791 18 P HA -0.190 nan 4.420 nan 0.000 0.208 18 P C 1.713 179.066 177.300 0.089 0.000 1.180 18 P CA 0.984 64.112 63.100 0.045 0.000 0.935 18 P CB -0.694 31.040 31.700 0.056 0.000 0.785 19 L N -0.606 120.684 121.223 0.112 0.000 1.991 19 L HA -0.238 4.097 4.340 -0.008 0.000 0.221 19 L C 2.341 179.252 176.870 0.069 0.000 1.079 19 L CA 1.826 56.676 54.840 0.017 0.000 0.778 19 L CB -1.561 40.385 42.059 -0.188 0.000 0.893 19 L HN -0.071 nan 8.230 nan 0.000 0.437 20 I N -0.940 119.699 120.570 0.115 0.000 2.053 20 I HA -0.419 3.746 4.170 -0.008 0.000 0.236 20 I C 2.492 178.674 176.117 0.109 0.000 1.038 20 I CA 2.205 63.571 61.300 0.110 0.000 1.304 20 I CB -0.496 37.572 38.000 0.114 0.000 1.023 20 I HN 0.269 nan 8.210 nan 0.000 0.395 21 I N 0.221 120.851 120.570 0.100 0.000 2.151 21 I HA -0.297 3.868 4.170 -0.008 0.000 0.243 21 I C 2.577 178.782 176.117 0.145 0.000 1.080 21 I CA 1.477 62.845 61.300 0.114 0.000 1.339 21 I CB -0.443 37.607 38.000 0.084 0.000 1.039 21 I HN 0.117 nan 8.210 nan 0.000 0.409 22 V N 1.033 121.006 119.914 0.098 0.000 2.343 22 V HA -0.215 3.899 4.120 -0.008 0.000 0.247 22 V C 2.560 178.753 176.094 0.165 0.000 1.051 22 V CA 2.154 64.519 62.300 0.107 0.000 1.036 22 V CB -1.347 30.488 31.823 0.020 0.000 0.654 22 V HN 0.577 nan 8.190 nan 0.000 0.451 23 G N -0.007 108.877 108.800 0.139 0.000 2.434 23 G HA2 -0.201 3.754 3.960 -0.008 0.000 0.214 23 G HA3 -0.201 3.754 3.960 -0.008 0.000 0.214 23 G C 1.564 176.610 174.900 0.243 0.000 1.202 23 G CA 1.052 46.243 45.100 0.153 0.000 0.788 23 G HN 0.455 nan 8.290 nan 0.000 0.539 24 I N 0.619 121.338 120.570 0.249 0.000 2.118 24 I HA -0.230 3.934 4.170 -0.008 0.000 0.241 24 I C 2.801 179.103 176.117 0.307 0.000 1.070 24 I CA 1.080 62.598 61.300 0.364 0.000 1.327 24 I CB -0.353 37.806 38.000 0.265 0.000 1.034 24 I HN 0.134 nan 8.210 nan 0.000 0.405 25 L N -0.505 120.849 121.223 0.219 0.000 2.056 25 L HA -0.252 4.083 4.340 -0.008 0.000 0.207 25 L C 2.804 179.762 176.870 0.147 0.000 1.078 25 L CA 1.063 55.997 54.840 0.157 0.000 0.749 25 L CB -0.743 41.440 42.059 0.207 0.000 0.901 25 L HN 0.434 nan 8.230 nan 0.000 0.433 26 C N -0.437 118.990 119.300 0.211 0.000 2.432 26 C HA -0.219 4.236 4.460 -0.008 0.000 0.277 26 C C 2.738 177.847 174.990 0.198 0.000 1.249 26 C CA 0.516 59.649 59.018 0.192 0.000 1.725 26 C CB -0.813 27.048 27.740 0.202 0.000 2.028 26 C HN 0.795 nan 8.230 nan 0.000 0.477 27 W N 1.238 122.570 121.300 0.053 0.000 2.352 27 W HA -0.094 4.561 4.660 -0.008 0.000 0.322 27 W C 2.031 178.567 176.519 0.027 0.000 1.208 27 W CA 1.553 58.919 57.345 0.036 0.000 1.286 27 W CB -1.120 28.360 29.460 0.034 0.000 1.167 27 W HN 0.258 nan 8.180 nan 0.000 0.469 28 L N 0.558 121.563 121.223 -0.363 0.000 2.197 28 L HA -0.311 4.023 4.340 -0.008 0.000 0.215 28 L C 2.323 179.027 176.870 -0.277 0.000 1.095 28 L CA 2.033 56.553 54.840 -0.534 0.000 0.764 28 L CB -1.235 40.629 42.059 -0.325 0.000 0.897 28 L HN 0.064 nan 8.230 nan 0.000 0.436 29 T N -1.336 113.143 114.554 -0.124 0.000 2.937 29 T HA -0.056 4.289 4.350 -0.008 0.000 0.260 29 T C 1.938 176.602 174.700 -0.060 0.000 1.051 29 T CA 1.104 63.158 62.100 -0.078 0.000 1.141 29 T CB -0.017 68.832 68.868 -0.033 0.000 0.879 29 T HN 0.116 nan 8.240 nan 0.000 0.459 30 V N 1.758 121.657 119.914 -0.024 0.000 2.427 30 V HA -0.114 4.001 4.120 -0.008 0.000 0.248 30 V C 2.515 178.598 176.094 -0.019 0.000 1.051 30 V CA 1.490 63.797 62.300 0.012 0.000 1.048 30 V CB -0.772 31.102 31.823 0.086 0.000 0.666 30 V HN 0.337 nan 8.190 nan 0.000 0.456 31 R N 0.764 121.211 120.500 -0.088 0.000 2.136 31 R HA -0.217 4.118 4.340 -0.008 0.000 0.242 31 R C 0.787 177.038 176.300 -0.081 0.000 1.131 31 R CA 2.321 58.353 56.100 -0.113 0.000 0.937 31 R CB -0.096 30.025 30.300 -0.298 0.000 0.863 31 R HN 0.539 nan 8.270 nan 0.000 0.435 32 D N -1.046 119.293 120.400 -0.102 0.000 2.542 32 D HA 0.129 4.764 4.640 -0.008 0.000 0.252 32 D C 0.216 176.476 176.300 -0.067 0.000 1.222 32 D CA -0.366 53.589 54.000 -0.075 0.000 0.895 32 D CB 1.670 42.420 40.800 -0.083 0.000 1.207 32 D HN 0.032 nan 8.370 nan 0.000 0.558 33 L N 2.837 124.031 121.223 -0.049 0.000 2.068 33 L HA 0.046 4.381 4.340 -0.008 0.000 0.204 33 L C 1.817 178.657 176.870 -0.049 0.000 1.076 33 L CA 1.069 55.881 54.840 -0.046 0.000 0.753 33 L CB -0.503 41.535 42.059 -0.034 0.000 0.910 33 L HN 0.339 nan 8.230 nan 0.000 0.439 34 D N 0.243 120.617 120.400 -0.044 0.000 2.133 34 D HA -0.216 4.419 4.640 -0.008 0.000 0.195 34 D C 2.233 178.504 176.300 -0.048 0.000 0.997 34 D CA 1.704 55.678 54.000 -0.043 0.000 0.840 34 D CB -0.239 40.539 40.800 -0.037 0.000 0.947 34 D HN 0.333 nan 8.370 nan 0.000 0.452 35 A N 0.738 123.527 122.820 -0.052 0.000 1.897 35 A HA 0.071 4.386 4.320 -0.008 0.000 0.215 35 A C 2.293 179.840 177.584 -0.062 0.000 1.181 35 A CA 2.042 54.045 52.037 -0.055 0.000 0.620 35 A CB -0.846 18.118 19.000 -0.061 0.000 0.821 35 A HN 0.221 nan 8.150 nan 0.000 0.443 36 A N 0.662 123.440 122.820 -0.069 0.000 1.859 36 A HA -0.292 4.023 4.320 -0.008 0.000 0.217 36 A C 1.888 179.430 177.584 -0.071 0.000 1.198 36 A CA 2.294 54.287 52.037 -0.074 0.000 0.629 36 A CB -0.970 17.985 19.000 -0.076 0.000 0.830 36 A HN 0.544 nan 8.150 nan 0.000 0.446 37 N N -0.247 118.411 118.700 -0.069 0.000 2.132 37 N HA -0.145 4.590 4.740 -0.008 0.000 0.191 37 N C 1.456 176.926 175.510 -0.065 0.000 1.015 37 N CA 1.519 54.524 53.050 -0.074 0.000 0.864 37 N CB -0.515 37.929 38.487 -0.071 0.000 1.006 37 N HN 0.254 nan 8.380 nan 0.000 0.430 38 V N -0.299 119.582 119.914 -0.054 0.000 2.427 38 V HA -0.153 3.962 4.120 -0.008 0.000 0.248 38 V C 2.125 178.196 176.094 -0.037 0.000 1.051 38 V CA 1.089 63.363 62.300 -0.043 0.000 1.048 38 V CB -0.323 31.477 31.823 -0.038 0.000 0.666 38 V HN 0.122 nan 8.190 nan 0.000 0.456 39 V N -0.284 119.603 119.914 -0.045 0.000 2.244 39 V HA -0.232 3.883 4.120 -0.008 0.000 0.244 39 V C 2.177 178.250 176.094 -0.036 0.000 1.042 39 V CA 2.000 64.275 62.300 -0.042 0.000 1.006 39 V CB -0.489 31.302 31.823 -0.055 0.000 0.641 39 V HN 0.384 nan 8.190 nan 0.000 0.446 40 I N 0.727 121.264 120.570 -0.055 0.000 2.195 40 I HA -0.460 3.705 4.170 -0.008 0.000 0.232 40 I C 2.334 178.444 176.117 -0.013 0.000 0.986 40 I CA 2.538 63.803 61.300 -0.059 0.000 1.283 40 I CB -0.742 37.198 38.000 -0.100 0.000 0.990 40 I HN 0.451 nan 8.210 nan 0.000 0.390 41 N N 0.288 118.972 118.700 -0.027 0.000 2.348 41 N HA -0.139 4.596 4.740 -0.008 0.000 0.185 41 N C 1.750 177.311 175.510 0.085 0.000 1.019 41 N CA 1.037 54.096 53.050 0.013 0.000 0.880 41 N CB -0.061 38.407 38.487 -0.031 0.000 0.965 41 N HN 0.453 nan 8.380 nan 0.000 0.437 42 A N 1.012 123.863 122.820 0.051 0.000 1.854 42 A HA -0.048 4.267 4.320 -0.008 0.000 0.214 42 A C 2.492 180.135 177.584 0.100 0.000 1.192 42 A CA 0.892 52.964 52.037 0.059 0.000 0.611 42 A CB -0.741 18.268 19.000 0.016 0.000 0.832 42 A HN 0.045 nan 8.150 nan 0.000 0.442 43 V N -0.591 119.370 119.914 0.079 0.000 2.233 43 V HA -0.292 3.823 4.120 -0.008 0.000 0.247 43 V C 2.286 178.472 176.094 0.152 0.000 1.050 43 V CA 2.357 64.720 62.300 0.106 0.000 1.010 43 V CB -1.269 30.583 31.823 0.049 0.000 0.637 43 V HN 0.606 nan 8.190 nan 0.000 0.444 44 F N 1.468 121.407 119.950 -0.018 0.000 2.032 44 F HA -0.317 4.205 4.527 -0.008 0.000 0.297 44 F C 2.656 178.449 175.800 -0.013 0.000 1.125 44 F CA 2.415 60.382 58.000 -0.054 0.000 1.202 44 F CB -0.745 38.180 39.000 -0.125 0.000 0.958 44 F HN 0.077 nan 8.300 nan 0.000 0.491 45 S N -0.963 114.748 115.700 0.019 0.000 2.383 45 S HA -0.245 4.220 4.470 -0.008 0.000 0.229 45 S C 1.660 176.215 174.600 -0.076 0.000 1.030 45 S CA 1.302 59.442 58.200 -0.100 0.000 1.002 45 S CB -0.824 62.425 63.200 0.082 0.000 0.829 45 S HN 0.660 nan 8.310 nan 0.000 0.467 46 Y N 2.191 122.457 120.300 -0.056 0.000 2.060 46 Y HA -0.205 4.340 4.550 -0.008 0.000 0.276 46 Y C 2.245 178.173 175.900 0.047 0.000 1.127 46 Y CA 1.723 59.828 58.100 0.008 0.000 1.104 46 Y CB -0.824 37.668 38.460 0.054 0.000 0.983 46 Y HN -0.007 nan 8.280 nan 0.000 0.483 47 V N 0.763 120.715 119.914 0.062 0.000 2.222 47 V HA -0.464 3.651 4.120 -0.008 0.000 0.252 47 V C 2.594 178.629 176.094 -0.099 0.000 1.060 47 V CA 3.184 65.498 62.300 0.023 0.000 1.027 47 V CB -1.703 30.157 31.823 0.062 0.000 0.644 47 V HN 0.783 nan 8.190 nan 0.000 0.448 48 T N -1.665 112.721 114.554 -0.281 0.000 2.708 48 T HA -0.218 4.127 4.350 -0.008 0.000 0.266 48 T C 1.693 176.271 174.700 -0.204 0.000 1.037 48 T CA 1.862 63.779 62.100 -0.304 0.000 1.146 48 T CB -0.661 67.844 68.868 -0.606 0.000 0.865 48 T HN 0.523 nan 8.240 nan 0.000 0.435 49 N N 0.907 119.462 118.700 -0.242 0.000 2.244 49 N HA -0.026 4.709 4.740 -0.008 0.000 0.183 49 N C 1.871 177.279 175.510 -0.170 0.000 1.016 49 N CA 1.270 54.220 53.050 -0.166 0.000 0.866 49 N CB -0.068 38.334 38.487 -0.142 0.000 0.980 49 N HN 0.325 nan 8.380 nan 0.000 0.430 50 V N -1.401 118.325 119.914 -0.313 0.000 2.825 50 V HA -0.024 4.091 4.120 -0.008 0.000 0.246 50 V C 0.935 176.728 176.094 -0.502 0.000 1.068 50 V CA 0.990 62.982 62.300 -0.512 0.000 1.088 50 V CB -0.232 31.034 31.823 -0.928 0.000 0.733 50 V HN 0.342 nan 8.190 nan 0.000 0.468 51 W N -0.503 120.688 121.300 -0.182 0.000 2.741 51 W HA 0.410 5.065 4.660 -0.008 0.000 0.317 51 W C 2.214 178.470 176.519 -0.438 0.000 1.029 51 W CA 0.334 57.461 57.345 -0.362 0.000 1.511 51 W CB -0.189 29.066 29.460 -0.342 0.000 1.025 51 W HN 0.154 nan 8.180 nan 0.000 0.554 52 G N 2.578 111.415 108.800 0.061 0.000 2.562 52 G HA2 -0.331 3.624 3.960 -0.008 0.000 0.223 52 G HA3 -0.331 3.624 3.960 -0.008 0.000 0.223 52 G C 1.205 176.237 174.900 0.219 0.000 1.102 52 G CA 1.446 46.633 45.100 0.144 0.000 0.742 52 G HN 0.460 nan 8.290 nan 0.000 0.587 53 W N 0.580 122.022 121.300 0.237 0.000 2.381 53 W HA 0.178 4.834 4.660 -0.006 0.000 0.301 53 W C 2.251 179.039 176.519 0.449 0.000 1.205 53 W CA 0.968 58.491 57.345 0.296 0.000 1.285 53 W CB -1.242 28.377 29.460 0.263 0.000 1.133 53 W HN 0.288 nan 8.180 nan 0.000 0.521 54 A N 0.893 123.383 122.820 -0.549 0.000 1.972 54 A HA -0.113 4.202 4.320 -0.008 0.000 0.219 54 A C 1.862 179.469 177.584 0.038 0.000 1.169 54 A CA 1.431 53.191 52.037 -0.461 0.000 0.635 54 A CB -1.340 16.979 19.000 -1.136 0.000 0.810 54 A HN 0.225 nan 8.150 nan 0.000 0.446 55 F N 0.353 120.353 119.950 0.084 0.000 2.102 55 F HA -0.148 4.374 4.527 -0.008 0.000 0.298 55 F C 2.487 178.580 175.800 0.489 0.000 1.105 55 F CA 1.960 60.142 58.000 0.303 0.000 1.239 55 F CB -0.310 38.840 39.000 0.250 0.000 0.991 55 F HN 0.320 nan 8.300 nan 0.000 0.474 56 E N -1.299 119.279 120.200 0.630 0.000 2.077 56 E HA -0.258 4.087 4.350 -0.008 0.000 0.193 56 E C 2.141 178.888 176.600 0.245 0.000 0.989 56 E CA 1.511 58.220 56.400 0.515 0.000 0.800 56 E CB -0.496 29.355 29.700 0.253 0.000 0.746 56 E HN 0.503 nan 8.360 nan 0.000 0.452 57 W N 0.463 121.962 121.300 0.331 0.000 2.338 57 W HA -0.233 4.422 4.660 -0.008 0.000 0.304 57 W C 2.275 178.901 176.519 0.179 0.000 1.212 57 W CA 1.299 58.803 57.345 0.266 0.000 1.264 57 W CB -0.534 29.134 29.460 0.346 0.000 1.142 57 W HN 0.180 nan 8.180 nan 0.000 0.512 58 Y N 0.495 120.986 120.300 0.319 0.000 2.030 58 Y HA -0.418 4.127 4.550 -0.009 0.000 0.274 58 Y C 2.473 178.363 175.900 -0.017 0.000 1.153 58 Y CA 2.347 60.500 58.100 0.088 0.000 1.115 58 Y CB -0.759 37.721 38.460 0.033 0.000 0.969 58 Y HN -0.226 nan 8.280 nan 0.000 0.488 59 M N -0.592 119.098 119.600 0.150 0.000 2.195 59 M HA -0.219 4.256 4.480 -0.008 0.000 0.260 59 M C 2.152 178.318 176.300 -0.225 0.000 1.066 59 M CA 1.217 56.395 55.300 -0.204 0.000 1.089 59 M CB -1.337 30.901 32.600 -0.603 0.000 1.377 59 M HN 0.349 nan 8.290 nan 0.000 0.411 60 V N -0.457 119.385 119.914 -0.121 0.000 2.379 60 V HA -0.176 3.939 4.120 -0.008 0.000 0.245 60 V C 2.497 178.589 176.094 -0.003 0.000 1.044 60 V CA 1.041 63.268 62.300 -0.122 0.000 1.036 60 V CB -0.224 31.450 31.823 -0.250 0.000 0.664 60 V HN 0.180 nan 8.190 nan 0.000 0.453 61 V N -0.430 119.494 119.914 0.017 0.000 2.216 61 V HA -0.311 3.804 4.120 -0.008 0.000 0.243 61 V C 2.556 178.618 176.094 -0.053 0.000 1.044 61 V CA 2.234 64.527 62.300 -0.013 0.000 0.995 61 V CB -0.598 31.165 31.823 -0.101 0.000 0.633 61 V HN 0.408 nan 8.190 nan 0.000 0.446 62 M N -0.987 118.467 119.600 -0.243 0.000 2.195 62 M HA -0.259 4.216 4.480 -0.008 0.000 0.254 62 M C 2.083 178.376 176.300 -0.012 0.000 1.083 62 M CA 1.861 57.034 55.300 -0.211 0.000 1.069 62 M CB -1.592 30.820 32.600 -0.313 0.000 1.364 62 M HN 0.361 nan 8.290 nan 0.000 0.403 63 L N -0.337 120.879 121.223 -0.011 0.000 2.023 63 L HA -0.131 4.204 4.340 -0.008 0.000 0.205 63 L C 2.336 179.363 176.870 0.262 0.000 1.073 63 L CA 1.554 56.441 54.840 0.078 0.000 0.745 63 L CB -1.087 40.948 42.059 -0.039 0.000 0.900 63 L HN 0.259 nan 8.230 nan 0.000 0.435 64 F N 0.473 120.440 119.950 0.028 0.000 2.085 64 F HA -0.230 4.292 4.527 -0.007 0.000 0.299 64 F C 2.004 177.926 175.800 0.202 0.000 1.096 64 F CA 2.067 60.077 58.000 0.017 0.000 1.227 64 F CB -0.924 38.054 39.000 -0.038 0.000 0.983 64 F HN 0.124 nan 8.300 nan 0.000 0.482 65 G N -1.604 107.290 108.800 0.156 0.000 2.744 65 G HA2 -0.273 3.682 3.960 -0.008 0.000 0.211 65 G HA3 -0.273 3.682 3.960 -0.008 0.000 0.211 65 G C 1.264 176.345 174.900 0.303 0.000 1.143 65 G CA 0.313 45.453 45.100 0.067 0.000 0.788 65 G HN 0.704 nan 8.290 nan 0.000 0.534 66 W N 0.580 121.965 121.300 0.143 0.000 2.402 66 W HA 0.086 4.741 4.660 -0.009 0.000 0.286 66 W C 1.810 178.283 176.519 -0.076 0.000 1.221 66 W CA 0.813 58.211 57.345 0.089 0.000 1.257 66 W CB -0.095 29.388 29.460 0.039 0.000 1.120 66 W HN 0.150 nan 8.180 nan 0.000 0.551 67 F N -1.078 118.955 119.950 0.139 0.000 2.113 67 F HA -0.127 4.396 4.527 -0.007 0.000 0.297 67 F C 2.188 177.768 175.800 -0.366 0.000 1.103 67 F CA 1.590 59.431 58.000 -0.265 0.000 1.248 67 F CB -1.326 37.488 39.000 -0.310 0.000 0.999 67 F HN -0.055 nan 8.300 nan 0.000 0.475 68 W N 1.086 122.228 121.300 -0.264 0.000 2.350 68 W HA -0.179 4.476 4.660 -0.009 0.000 0.289 68 W C 1.785 178.227 176.519 -0.128 0.000 1.215 68 W CA 1.504 58.717 57.345 -0.220 0.000 1.236 68 W CB -0.231 29.106 29.460 -0.206 0.000 1.130 68 W HN -0.026 nan 8.180 nan 0.000 0.541 69 L N -0.766 120.493 121.223 0.060 0.000 2.023 69 L HA -0.223 4.112 4.340 -0.008 0.000 0.205 69 L C 2.304 178.924 176.870 -0.417 0.000 1.073 69 L CA 1.298 56.040 54.840 -0.163 0.000 0.745 69 L CB -1.302 40.715 42.059 -0.068 0.000 0.900 69 L HN -0.178 nan 8.230 nan 0.000 0.435 70 V N -0.764 118.794 119.914 -0.593 0.000 2.343 70 V HA -0.277 3.838 4.120 -0.008 0.000 0.247 70 V C 1.797 177.885 176.094 -0.011 0.000 1.051 70 V CA 1.794 63.727 62.300 -0.613 0.000 1.036 70 V CB -0.472 30.643 31.823 -1.180 0.000 0.654 70 V HN 0.350 nan 8.190 nan 0.000 0.451 71 F N -0.106 119.648 119.950 -0.326 0.000 2.664 71 F HA 0.407 4.929 4.527 -0.009 0.000 0.303 71 F C 1.573 177.179 175.800 -0.324 0.000 1.092 71 F CA -0.265 57.599 58.000 -0.227 0.000 1.305 71 F CB 0.073 39.020 39.000 -0.088 0.000 1.054 71 F HN 0.256 nan 8.300 nan 0.000 0.565 72 G N 1.796 110.383 108.800 -0.355 0.000 2.553 72 G HA2 0.112 4.067 3.960 -0.008 0.000 0.278 72 G HA3 0.112 4.067 3.960 -0.008 0.000 0.278 72 G C -1.409 173.179 174.900 -0.520 0.000 1.349 72 G CA -0.635 44.011 45.100 -0.757 0.000 1.037 72 G HN -0.088 nan 8.290 nan 0.000 0.508 73 P HA -0.042 nan 4.420 nan 0.000 0.219 73 P C 0.736 177.959 177.300 -0.128 0.000 1.154 73 P CA 1.139 64.102 63.100 -0.230 0.000 0.826 73 P CB 0.133 31.789 31.700 -0.073 0.000 0.795 74 Y N -0.230 119.727 120.300 -0.570 0.000 2.477 74 Y HA 0.209 4.754 4.550 -0.008 0.000 0.303 74 Y C 2.475 178.086 175.900 -0.481 0.000 1.202 74 Y CA -0.470 57.267 58.100 -0.606 0.000 1.282 74 Y CB -0.525 37.603 38.460 -0.555 0.000 1.071 74 Y HN -0.032 nan 8.280 nan 0.000 0.510 75 A N 1.460 124.119 122.820 -0.268 0.000 1.873 75 A HA -0.251 4.064 4.320 -0.008 0.000 0.218 75 A C 2.081 179.545 177.584 -0.199 0.000 1.193 75 A CA 1.850 53.738 52.037 -0.248 0.000 0.629 75 A CB -0.298 18.570 19.000 -0.221 0.000 0.826 75 A HN 0.400 nan 8.150 nan 0.000 0.447 76 K N -0.627 119.659 120.400 -0.189 0.000 2.361 76 K HA 0.079 4.394 4.320 -0.008 0.000 0.194 76 K C -0.097 176.413 176.600 -0.150 0.000 1.032 76 K CA -0.210 55.991 56.287 -0.145 0.000 1.048 76 K CB 0.192 32.619 32.500 -0.123 0.000 0.842 76 K HN 0.171 nan 8.250 nan 0.000 0.526 77 K N 2.205 122.453 120.400 -0.253 0.000 2.569 77 K HA -0.077 4.237 4.320 -0.008 0.000 0.280 77 K C 0.159 176.746 176.600 -0.022 0.000 0.984 77 K CA 0.581 56.695 56.287 -0.288 0.000 1.064 77 K CB 0.307 32.290 32.500 -0.861 0.000 0.866 77 K HN 0.085 nan 8.250 nan 0.000 0.492 78 R N 2.288 122.849 120.500 0.101 0.000 2.404 78 R HA 0.214 4.549 4.340 -0.008 0.000 0.291 78 R C 0.010 176.504 176.300 0.322 0.000 1.025 78 R CA -0.415 55.777 56.100 0.154 0.000 0.991 78 R CB 0.544 30.895 30.300 0.085 0.000 1.053 78 R HN 0.454 nan 8.270 nan 0.000 0.479 79 L N 4.675 126.066 121.223 0.280 0.000 2.466 79 L HA 0.346 4.681 4.340 -0.008 0.000 0.248 79 L C 0.286 177.336 176.870 0.301 0.000 1.240 79 L CA 0.116 55.177 54.840 0.369 0.000 1.180 79 L CB 0.372 42.658 42.059 0.380 0.000 1.413 79 L HN 0.978 nan 8.230 nan 0.000 0.406 80 G N 0.253 109.197 108.800 0.239 0.000 2.650 80 G HA2 -0.157 3.798 3.960 -0.008 0.000 0.686 80 G HA3 -0.157 3.798 3.960 -0.008 0.000 0.686 80 G C 0.091 175.022 174.900 0.052 0.000 1.205 80 G CA -0.609 44.570 45.100 0.131 0.000 0.781 80 G HN 0.434 nan 8.290 nan 0.000 0.648 81 E N 0.929 121.144 120.200 0.024 0.000 2.028 81 E HA 0.145 4.490 4.350 -0.008 0.000 0.190 81 E C 1.930 178.508 176.600 -0.036 0.000 0.984 81 E CA 1.168 57.571 56.400 0.005 0.000 0.800 81 E CB -0.196 29.508 29.700 0.007 0.000 0.758 81 E HN 1.088 nan 8.360 nan 0.000 0.448 82 E N 2.243 122.403 120.200 -0.067 0.000 2.521 82 E HA -0.065 4.280 4.350 -0.008 0.000 0.270 82 E C -2.413 174.124 176.600 -0.105 0.000 1.082 82 E CA -0.581 55.763 56.400 -0.093 0.000 0.997 82 E CB -1.107 28.516 29.700 -0.129 0.000 0.990 82 E HN -0.033 nan 8.360 nan 0.000 0.458 83 P HA 0.259 nan 4.420 nan 0.000 0.274 83 P C -2.405 174.811 177.300 -0.141 0.000 1.246 83 P CA -1.011 62.024 63.100 -0.109 0.000 0.795 83 P CB 0.347 31.991 31.700 -0.093 0.000 1.006 84 P HA 0.109 nan 4.420 nan 0.000 0.276 84 P C -0.239 176.978 177.300 -0.139 0.000 1.243 84 P CA -0.078 62.929 63.100 -0.154 0.000 0.768 84 P CB 0.503 32.086 31.700 -0.195 0.000 0.856 85 E N 2.213 122.316 120.200 -0.162 0.000 2.320 85 E HA 0.233 4.578 4.350 -0.008 0.000 0.189 85 E C -0.626 175.652 176.600 -0.537 0.000 1.100 85 E CA -0.149 56.060 56.400 -0.318 0.000 1.009 85 E CB -0.433 29.035 29.700 -0.387 0.000 1.145 85 E HN 0.285 nan 8.360 nan 0.000 0.454 86 F N 0.771 120.679 119.950 -0.071 0.000 2.619 86 F HA 0.235 4.757 4.527 -0.008 0.000 0.308 86 F C -0.005 175.779 175.800 -0.026 0.000 1.097 86 F CA -1.349 56.644 58.000 -0.012 0.000 0.953 86 F CB 1.939 40.982 39.000 0.072 0.000 1.287 86 F HN -0.051 nan 8.300 nan 0.000 0.446 87 S N -0.120 115.726 115.700 0.243 0.000 2.549 87 S HA 0.120 4.585 4.470 -0.008 0.000 0.279 87 S C 0.866 175.583 174.600 0.195 0.000 1.321 87 S CA -0.255 58.032 58.200 0.145 0.000 1.054 87 S CB 1.198 64.468 63.200 0.117 0.000 0.899 87 S HN 0.721 nan 8.310 nan 0.000 0.497 88 T N 3.013 117.637 114.554 0.117 0.000 2.760 88 T HA -0.181 4.164 4.350 -0.008 0.000 0.269 88 T C 2.018 176.895 174.700 0.295 0.000 1.047 88 T CA 1.895 64.102 62.100 0.178 0.000 1.139 88 T CB -0.674 68.247 68.868 0.089 0.000 0.855 88 T HN 0.880 nan 8.240 nan 0.000 0.471 89 A N 0.424 123.357 122.820 0.189 0.000 1.930 89 A HA 0.022 4.337 4.320 -0.008 0.000 0.215 89 A C 2.529 180.230 177.584 0.195 0.000 1.176 89 A CA 1.769 53.901 52.037 0.159 0.000 0.632 89 A CB -0.863 18.188 19.000 0.085 0.000 0.819 89 A HN 0.448 nan 8.150 nan 0.000 0.445 90 S N -1.452 114.376 115.700 0.213 0.000 2.348 90 S HA -0.231 4.234 4.470 -0.008 0.000 0.221 90 S C 1.642 176.383 174.600 0.234 0.000 1.033 90 S CA 1.818 60.154 58.200 0.227 0.000 1.010 90 S CB -0.572 62.817 63.200 0.314 0.000 0.891 90 S HN 0.702 nan 8.310 nan 0.000 0.442 91 W N 1.972 123.273 121.300 0.002 0.000 2.285 91 W HA -0.249 4.406 4.660 -0.009 0.000 0.333 91 W C 2.023 178.524 176.519 -0.031 0.000 1.290 91 W CA 2.133 59.408 57.345 -0.116 0.000 1.234 91 W CB -1.127 28.322 29.460 -0.019 0.000 1.154 91 W HN 0.356 nan 8.180 nan 0.000 0.463 92 I N -0.629 119.974 120.570 0.054 0.000 2.113 92 I HA -0.380 3.785 4.170 -0.008 0.000 0.242 92 I C 2.545 178.634 176.117 -0.047 0.000 1.064 92 I CA 2.086 63.299 61.300 -0.145 0.000 1.320 92 I CB -0.904 37.079 38.000 -0.029 0.000 1.028 92 I HN 0.027 nan 8.210 nan 0.000 0.406 93 F N 0.991 120.905 119.950 -0.061 0.000 2.202 93 F HA -0.281 4.241 4.527 -0.008 0.000 0.301 93 F C 2.491 178.322 175.800 0.053 0.000 1.082 93 F CA 1.561 59.559 58.000 -0.004 0.000 1.313 93 F CB -0.103 38.896 39.000 -0.001 0.000 1.024 93 F HN -0.020 nan 8.300 nan 0.000 0.495 94 M N -0.553 119.170 119.600 0.205 0.000 2.229 94 M HA -0.228 4.247 4.480 -0.008 0.000 0.264 94 M C 2.014 178.349 176.300 0.058 0.000 1.063 94 M CA 1.498 56.874 55.300 0.127 0.000 1.114 94 M CB -0.381 32.184 32.600 -0.059 0.000 1.387 94 M HN 0.278 nan 8.290 nan 0.000 0.420 95 M N -1.117 118.437 119.600 -0.077 0.000 2.115 95 M HA -0.099 4.376 4.480 -0.008 0.000 0.261 95 M C 2.146 178.350 176.300 -0.161 0.000 1.079 95 M CA 1.513 56.722 55.300 -0.152 0.000 1.143 95 M CB -0.946 31.465 32.600 -0.314 0.000 1.332 95 M HN 0.060 nan 8.290 nan 0.000 0.421 96 F N 1.807 121.571 119.950 -0.310 0.000 2.176 96 F HA -0.273 4.248 4.527 -0.009 0.000 0.301 96 F C 2.347 178.008 175.800 -0.233 0.000 1.071 96 F CA 1.743 59.556 58.000 -0.311 0.000 1.289 96 F CB -0.240 38.485 39.000 -0.459 0.000 1.028 96 F HN 0.137 nan 8.300 nan 0.000 0.494 97 A N -1.459 121.257 122.820 -0.174 0.000 2.147 97 A HA 0.048 4.363 4.320 -0.008 0.000 0.211 97 A C 2.168 179.648 177.584 -0.173 0.000 1.160 97 A CA 0.854 52.791 52.037 -0.166 0.000 0.781 97 A CB -0.848 18.119 19.000 -0.056 0.000 0.842 97 A HN 0.403 nan 8.150 nan 0.000 0.475 98 S N -0.902 114.690 115.700 -0.180 0.000 2.395 98 S HA -0.161 4.304 4.470 -0.008 0.000 0.225 98 S C 1.823 176.271 174.600 -0.253 0.000 1.027 98 S CA 1.264 59.316 58.200 -0.247 0.000 0.965 98 S CB -1.185 61.755 63.200 -0.433 0.000 0.812 98 S HN 0.501 nan 8.310 nan 0.000 0.482 99 C N 2.918 122.078 119.300 -0.233 0.000 2.410 99 C HA 0.015 4.470 4.460 -0.008 0.000 0.281 99 C C 1.897 176.798 174.990 -0.150 0.000 1.318 99 C CA 1.113 60.046 59.018 -0.141 0.000 1.776 99 C CB -1.801 25.897 27.740 -0.071 0.000 1.942 99 C HN 0.791 nan 8.230 nan 0.000 0.508 100 T N -0.311 114.117 114.554 -0.210 0.000 2.840 100 T HA 0.298 4.643 4.350 -0.008 0.000 0.276 100 T C -0.120 174.468 174.700 -0.187 0.000 0.912 100 T CA 0.093 62.067 62.100 -0.209 0.000 1.116 100 T CB 0.544 69.241 68.868 -0.284 0.000 0.895 100 T HN 0.363 nan 8.240 nan 0.000 0.570 101 S N 2.416 118.017 115.700 -0.165 0.000 2.745 101 S HA 0.705 5.169 4.470 -0.008 0.000 0.292 101 S C 1.704 176.242 174.600 -0.104 0.000 1.133 101 S CA -0.320 57.793 58.200 -0.146 0.000 0.998 101 S CB 0.899 64.002 63.200 -0.161 0.000 1.087 101 S HN 0.857 nan 8.310 nan 0.000 0.551 102 A N 1.787 124.561 122.820 -0.077 0.000 1.858 102 A HA 0.166 4.481 4.320 -0.008 0.000 0.216 102 A C 2.337 179.933 177.584 0.020 0.000 1.190 102 A CA 1.886 53.912 52.037 -0.018 0.000 0.617 102 A CB -1.668 17.315 19.000 -0.029 0.000 0.827 102 A HN 1.289 nan 8.150 nan 0.000 0.443 103 A N -1.028 121.794 122.820 0.003 0.000 2.070 103 A HA 0.051 4.366 4.320 -0.008 0.000 0.220 103 A C 2.187 179.793 177.584 0.038 0.000 1.159 103 A CA 1.609 53.661 52.037 0.025 0.000 0.656 103 A CB -0.697 18.368 19.000 0.108 0.000 0.800 103 A HN 0.460 nan 8.150 nan 0.000 0.453 104 V N -0.201 119.692 119.914 -0.035 0.000 2.591 104 V HA -0.112 4.003 4.120 -0.008 0.000 0.249 104 V C 2.339 178.275 176.094 -0.263 0.000 1.053 104 V CA 1.289 63.496 62.300 -0.156 0.000 1.068 104 V CB -0.302 31.400 31.823 -0.202 0.000 0.689 104 V HN 0.611 nan 8.190 nan 0.000 0.462 105 L N -1.316 119.852 121.223 -0.091 0.000 2.131 105 L HA -0.197 4.138 4.340 -0.008 0.000 0.210 105 L C 2.263 179.194 176.870 0.102 0.000 1.092 105 L CA 1.970 56.821 54.840 0.020 0.000 0.759 105 L CB -0.588 41.574 42.059 0.172 0.000 0.903 105 L HN 0.417 nan 8.230 nan 0.000 0.435 106 F N -0.055 119.848 119.950 -0.079 0.000 2.031 106 F HA -0.251 4.271 4.527 -0.009 0.000 0.295 106 F C 2.234 177.969 175.800 -0.108 0.000 1.133 106 F CA 1.735 59.633 58.000 -0.169 0.000 1.188 106 F CB -0.497 38.272 39.000 -0.384 0.000 0.974 106 F HN -0.055 nan 8.300 nan 0.000 0.473 107 W N 0.463 121.895 121.300 0.220 0.000 2.332 107 W HA -0.090 4.566 4.660 -0.008 0.000 0.321 107 W C 2.718 179.119 176.519 -0.197 0.000 1.219 107 W CA 0.865 58.323 57.345 0.189 0.000 1.277 107 W CB -1.345 28.389 29.460 0.457 0.000 1.161 107 W HN 0.201 nan 8.180 nan 0.000 0.476 108 G N -0.191 108.262 108.800 -0.579 0.000 2.597 108 G HA2 -0.367 3.588 3.960 -0.008 0.000 0.222 108 G HA3 -0.367 3.588 3.960 -0.008 0.000 0.222 108 G C 1.541 176.246 174.900 -0.326 0.000 1.135 108 G CA 1.716 46.173 45.100 -1.072 0.000 0.759 108 G HN 0.267 nan 8.290 nan 0.000 0.595 109 S N -0.755 114.852 115.700 -0.155 0.000 2.425 109 S HA 0.091 4.556 4.470 -0.008 0.000 0.225 109 S C 1.962 176.505 174.600 -0.095 0.000 1.024 109 S CA 0.729 58.890 58.200 -0.065 0.000 0.951 109 S CB 0.036 63.205 63.200 -0.052 0.000 0.796 109 S HN 0.310 nan 8.310 nan 0.000 0.498 110 I N 1.370 121.888 120.570 -0.086 0.000 4.032 110 I HA 0.122 4.286 4.170 -0.008 0.000 0.313 110 I C 1.922 178.149 176.117 0.184 0.000 1.272 110 I CA 0.282 61.567 61.300 -0.025 0.000 1.307 110 I CB -0.138 37.785 38.000 -0.128 0.000 1.155 110 I HN 0.273 nan 8.210 nan 0.000 0.431 111 E N 0.843 121.182 120.200 0.233 0.000 2.153 111 E HA -0.247 4.098 4.350 -0.008 0.000 0.194 111 E C 2.248 178.596 176.600 -0.420 0.000 0.988 111 E CA 1.684 58.100 56.400 0.027 0.000 0.811 111 E CB -0.761 28.944 29.700 0.008 0.000 0.746 111 E HN 0.589 nan 8.360 nan 0.000 0.466 112 I N 0.481 121.022 120.570 -0.047 0.000 2.454 112 I HA -0.251 3.914 4.170 -0.008 0.000 0.254 112 I C 2.177 178.363 176.117 0.115 0.000 1.156 112 I CA 1.098 62.477 61.300 0.132 0.000 1.433 112 I CB -0.112 38.074 38.000 0.310 0.000 1.082 112 I HN 0.196 nan 8.210 nan 0.000 0.432 113 Y N 1.330 121.594 120.300 -0.060 0.000 2.114 113 Y HA -0.323 4.222 4.550 -0.008 0.000 0.284 113 Y C 2.018 177.856 175.900 -0.104 0.000 1.143 113 Y CA 1.960 59.982 58.100 -0.130 0.000 1.135 113 Y CB -1.003 37.283 38.460 -0.290 0.000 0.980 113 Y HN 0.187 nan 8.280 nan 0.000 0.499 114 Y N -1.139 119.003 120.300 -0.263 0.000 2.274 114 Y HA -0.245 4.300 4.550 -0.008 0.000 0.290 114 Y C 2.214 178.070 175.900 -0.074 0.000 1.145 114 Y CA 1.635 59.587 58.100 -0.248 0.000 1.203 114 Y CB -0.977 37.568 38.460 0.142 0.000 0.984 114 Y HN 0.180 nan 8.280 nan 0.000 0.533 115 Y N -0.439 119.895 120.300 0.056 0.000 2.256 115 Y HA -0.216 4.329 4.550 -0.008 0.000 0.288 115 Y C 2.152 178.092 175.900 0.066 0.000 1.155 115 Y CA 0.679 58.817 58.100 0.063 0.000 1.203 115 Y CB -0.874 37.622 38.460 0.059 0.000 0.980 115 Y HN 0.177 nan 8.280 nan 0.000 0.530 116 I N -1.565 119.083 120.570 0.131 0.000 2.628 116 I HA -0.136 4.029 4.170 -0.008 0.000 0.255 116 I C 2.513 178.608 176.117 -0.036 0.000 1.119 116 I CA 1.002 62.333 61.300 0.052 0.000 1.448 116 I CB -0.666 37.356 38.000 0.036 0.000 1.133 116 I HN 0.109 nan 8.210 nan 0.000 0.438 117 S N 0.368 115.939 115.700 -0.215 0.000 2.354 117 S HA -0.194 4.271 4.470 -0.008 0.000 0.219 117 S C 1.459 176.026 174.600 -0.054 0.000 1.035 117 S CA 1.793 59.840 58.200 -0.255 0.000 1.037 117 S CB -0.614 62.185 63.200 -0.667 0.000 0.956 117 S HN 0.439 nan 8.310 nan 0.000 0.428 118 T N 3.200 117.771 114.554 0.029 0.000 2.912 118 T HA 0.695 5.040 4.350 -0.008 0.000 0.326 118 T C -3.093 171.755 174.700 0.246 0.000 1.080 118 T CA -2.239 59.933 62.100 0.120 0.000 1.000 118 T CB 1.454 70.394 68.868 0.120 0.000 1.008 118 T HN 0.208 nan 8.240 nan 0.000 0.473 119 P HA 0.549 nan 4.420 nan 0.000 0.279 119 P C -2.780 174.573 177.300 0.087 0.000 1.276 119 P CA -1.718 61.503 63.100 0.202 0.000 0.801 119 P CB 0.223 31.963 31.700 0.066 0.000 1.127 120 P HA 0.413 nan 4.420 nan 0.000 0.286 120 P C -0.543 176.423 177.300 -0.557 0.000 1.292 120 P CA -0.798 61.699 63.100 -1.005 0.000 0.842 120 P CB 0.461 30.712 31.700 -2.416 0.000 1.207 121 F N -2.154 117.714 119.950 -0.137 0.000 3.057 121 F HA -0.172 4.350 4.527 -0.009 0.000 0.287 121 F C 1.189 176.986 175.800 -0.005 0.000 0.834 121 F CA 0.522 58.490 58.000 -0.054 0.000 1.147 121 F CB -2.581 36.320 39.000 -0.165 0.000 1.245 121 F HN 0.688 nan 8.300 nan 0.000 0.509 122 G N 1.215 110.090 108.800 0.124 0.000 2.333 122 G HA2 -0.261 3.694 3.960 -0.008 0.000 0.296 122 G HA3 -0.261 3.694 3.960 -0.008 0.000 0.296 122 G C -0.277 174.670 174.900 0.079 0.000 1.059 122 G CA 0.158 45.316 45.100 0.096 0.000 1.050 122 G HN 0.510 nan 8.290 nan 0.000 0.508 123 L N -0.306 120.954 121.223 0.061 0.000 2.334 123 L HA 0.420 4.755 4.340 -0.008 0.000 0.275 123 L C 0.916 177.813 176.870 0.045 0.000 1.036 123 L CA -0.762 54.109 54.840 0.051 0.000 0.807 123 L CB 1.429 43.510 42.059 0.035 0.000 1.231 123 L HN 0.298 nan 8.230 nan 0.000 0.438 124 E N 3.624 123.848 120.200 0.040 0.000 2.324 124 E HA 0.138 4.483 4.350 -0.008 0.000 0.271 124 E C -2.216 174.405 176.600 0.035 0.000 1.028 124 E CA -1.654 54.768 56.400 0.035 0.000 0.890 124 E CB 0.914 30.632 29.700 0.030 0.000 1.004 124 E HN 0.258 nan 8.360 nan 0.000 0.431 125 P HA -0.032 nan 4.420 nan 0.000 0.266 125 P C -0.711 176.603 177.300 0.024 0.000 1.195 125 P CA 0.314 63.431 63.100 0.029 0.000 0.768 125 P CB 0.397 32.111 31.700 0.022 0.000 0.838 126 N N -1.412 117.302 118.700 0.022 0.000 2.732 126 N HA -0.209 4.526 4.740 -0.008 0.000 0.250 126 N C -0.080 175.445 175.510 0.026 0.000 1.097 126 N CA 1.347 54.410 53.050 0.023 0.000 0.812 126 N CB -2.305 36.194 38.487 0.019 0.000 1.148 126 N HN 0.426 nan 8.380 nan 0.000 0.572 127 S N -0.147 115.570 115.700 0.029 0.000 2.528 127 S HA 0.282 4.747 4.470 -0.008 0.000 0.277 127 S C 1.880 176.501 174.600 0.035 0.000 1.297 127 S CA 0.215 58.433 58.200 0.029 0.000 1.052 127 S CB 0.783 64.001 63.200 0.030 0.000 0.917 127 S HN 0.414 nan 8.310 nan 0.000 0.492 128 T N 3.453 118.027 114.554 0.033 0.000 2.701 128 T HA -0.220 4.125 4.350 -0.008 0.000 0.265 128 T C 1.933 176.664 174.700 0.052 0.000 1.032 128 T CA 2.127 64.252 62.100 0.041 0.000 1.158 128 T CB -1.534 67.357 68.868 0.037 0.000 0.854 128 T HN 0.840 nan 8.240 nan 0.000 0.463 129 G N 1.396 110.221 108.800 0.041 0.000 2.421 129 G HA2 0.069 4.024 3.960 -0.008 0.000 0.216 129 G HA3 0.069 4.024 3.960 -0.008 0.000 0.216 129 G C 1.936 176.856 174.900 0.034 0.000 1.171 129 G CA 0.988 46.109 45.100 0.036 0.000 0.775 129 G HN 0.910 nan 8.290 nan 0.000 0.543 130 A N -0.006 122.838 122.820 0.040 0.000 2.172 130 A HA 0.144 4.459 4.320 -0.008 0.000 0.216 130 A C 2.241 179.874 177.584 0.081 0.000 1.154 130 A CA 1.644 53.709 52.037 0.046 0.000 0.701 130 A CB -0.173 18.857 19.000 0.050 0.000 0.789 130 A HN 0.417 nan 8.150 nan 0.000 0.465 131 K N -0.452 120.002 120.400 0.090 0.000 2.078 131 K HA -0.023 4.292 4.320 -0.008 0.000 0.203 131 K C 1.807 178.532 176.600 0.208 0.000 1.043 131 K CA 1.098 57.465 56.287 0.134 0.000 0.960 131 K CB -0.141 32.413 32.500 0.090 0.000 0.761 131 K HN 0.511 nan 8.250 nan 0.000 0.448 132 E N 1.080 121.383 120.200 0.171 0.000 2.130 132 E HA -0.203 4.142 4.350 -0.008 0.000 0.196 132 E C 1.751 178.425 176.600 0.124 0.000 0.998 132 E CA 0.834 57.359 56.400 0.209 0.000 0.806 132 E CB 0.003 29.767 29.700 0.108 0.000 0.738 132 E HN 0.138 nan 8.360 nan 0.000 0.459 133 L N 0.568 121.819 121.223 0.046 0.000 2.492 133 L HA 0.054 4.389 4.340 -0.008 0.000 0.223 133 L C 1.878 178.760 176.870 0.020 0.000 1.132 133 L CA 0.981 55.790 54.840 -0.052 0.000 0.850 133 L CB -1.013 40.966 42.059 -0.133 0.000 0.966 133 L HN 0.076 nan 8.230 nan 0.000 0.454 134 G N 0.941 109.836 108.800 0.158 0.000 2.587 134 G HA2 -0.353 3.601 3.960 -0.008 0.000 0.217 134 G HA3 -0.353 3.601 3.960 -0.008 0.000 0.217 134 G C 1.471 176.539 174.900 0.280 0.000 1.240 134 G CA 1.113 46.379 45.100 0.276 0.000 0.794 134 G HN 0.409 nan 8.290 nan 0.000 0.580 135 L N 1.505 122.879 121.223 0.252 0.000 2.083 135 L HA 0.167 4.502 4.340 -0.008 0.000 0.209 135 L C 3.057 179.886 176.870 -0.068 0.000 1.083 135 L CA 2.108 57.019 54.840 0.119 0.000 0.752 135 L CB -0.829 41.133 42.059 -0.162 0.000 0.899 135 L HN 0.280 nan 8.230 nan 0.000 0.433 136 A N -1.215 121.485 122.820 -0.200 0.000 1.948 136 A HA -0.317 3.998 4.320 -0.008 0.000 0.220 136 A C 2.282 179.730 177.584 -0.226 0.000 1.177 136 A CA 2.163 54.036 52.037 -0.273 0.000 0.636 136 A CB -1.265 17.565 19.000 -0.283 0.000 0.815 136 A HN 0.626 nan 8.150 nan 0.000 0.449 137 Y N 0.134 120.275 120.300 -0.265 0.000 2.373 137 Y HA -0.132 4.412 4.550 -0.009 0.000 0.293 137 Y C 2.954 178.777 175.900 -0.128 0.000 1.129 137 Y CA 1.326 59.174 58.100 -0.420 0.000 1.226 137 Y CB 0.056 37.972 38.460 -0.906 0.000 1.000 137 Y HN 0.350 nan 8.280 nan 0.000 0.549 138 S N 0.277 116.163 115.700 0.311 0.000 2.343 138 S HA -0.209 4.256 4.470 -0.008 0.000 0.219 138 S C 1.942 176.687 174.600 0.241 0.000 1.033 138 S CA 1.492 59.986 58.200 0.489 0.000 1.014 138 S CB -0.646 62.891 63.200 0.561 0.000 0.915 138 S HN 0.380 nan 8.310 nan 0.000 0.435 139 L N 0.178 121.394 121.223 -0.011 0.000 2.263 139 L HA -0.168 4.167 4.340 -0.008 0.000 0.216 139 L C 2.139 179.043 176.870 0.058 0.000 1.111 139 L CA 1.244 55.960 54.840 -0.206 0.000 0.773 139 L CB -0.495 41.137 42.059 -0.712 0.000 0.906 139 L HN 0.302 nan 8.230 nan 0.000 0.439 140 F N -0.347 119.491 119.950 -0.186 0.000 2.149 140 F HA -0.148 4.374 4.527 -0.009 0.000 0.294 140 F C 2.689 178.366 175.800 -0.205 0.000 1.095 140 F CA 1.393 59.239 58.000 -0.255 0.000 1.276 140 F CB -0.155 38.498 39.000 -0.578 0.000 1.023 140 F HN 0.058 nan 8.300 nan 0.000 0.480 141 H N -1.880 117.200 119.070 0.017 0.000 2.495 141 H HA -0.038 4.513 4.556 -0.009 0.000 0.287 141 H C -0.004 174.688 175.328 -1.060 0.000 1.033 141 H CA 1.135 56.952 56.048 -0.385 0.000 1.307 141 H CB -0.403 29.142 29.762 -0.363 0.000 1.401 141 H HN 0.426 nan 8.280 nan 0.000 0.555 142 W N 0.516 121.723 121.300 -0.156 0.000 1.433 142 W HA 0.492 5.148 4.660 -0.007 0.000 0.307 142 W C 0.824 177.321 176.519 -0.037 0.000 0.846 142 W CA -0.510 56.660 57.345 -0.292 0.000 2.535 142 W CB 0.048 29.040 29.460 -0.780 0.000 1.570 142 W HN -0.045 nan 8.180 nan 0.000 0.544 143 G N 1.098 109.949 108.800 0.084 0.000 2.606 143 G HA2 0.406 4.361 3.960 -0.008 0.000 0.262 143 G HA3 0.406 4.361 3.960 -0.008 0.000 0.262 143 G C -1.653 173.203 174.900 -0.073 0.000 1.394 143 G CA -0.988 44.309 45.100 0.328 0.000 1.044 143 G HN -0.246 nan 8.290 nan 0.000 0.553 144 P HA -0.033 nan 4.420 nan 0.000 0.216 144 P C 2.219 179.351 177.300 -0.281 0.000 1.153 144 P CA 0.407 63.396 63.100 -0.184 0.000 0.844 144 P CB 0.125 31.654 31.700 -0.284 0.000 0.787 145 L N -0.384 120.621 121.223 -0.364 0.000 2.064 145 L HA -0.172 4.163 4.340 -0.008 0.000 0.216 145 L C -0.655 175.830 176.870 -0.643 0.000 1.077 145 L CA 2.692 57.244 54.840 -0.480 0.000 0.766 145 L CB -1.640 40.114 42.059 -0.509 0.000 0.890 145 L HN 0.084 nan 8.230 nan 0.000 0.435 146 P HA -0.125 nan 4.420 nan 0.000 0.217 146 P C 1.019 177.636 177.300 -1.139 0.000 1.154 146 P CA 1.275 63.532 63.100 -1.405 0.000 0.841 146 P CB -0.138 30.314 31.700 -2.080 0.000 0.788 147 W N 0.647 121.578 121.300 -0.615 0.000 2.318 147 W HA -0.186 4.469 4.660 -0.008 0.000 0.313 147 W C 2.596 179.000 176.519 -0.191 0.000 1.221 147 W CA 0.793 57.959 57.345 -0.298 0.000 1.266 147 W CB -1.065 28.312 29.460 -0.139 0.000 1.150 147 W HN -0.119 nan 8.180 nan 0.000 0.496 148 A N 0.407 123.208 122.820 -0.031 0.000 1.997 148 A HA -0.327 3.988 4.320 -0.008 0.000 0.221 148 A C 1.811 179.469 177.584 0.123 0.000 1.172 148 A CA 2.742 54.732 52.037 -0.079 0.000 0.645 148 A CB -1.554 17.104 19.000 -0.570 0.000 0.813 148 A HN 0.416 nan 8.150 nan 0.000 0.454 149 T N -4.452 110.083 114.554 -0.031 0.000 2.995 149 T HA -0.095 4.250 4.350 -0.008 0.000 0.269 149 T C 1.710 176.628 174.700 0.363 0.000 1.091 149 T CA 1.190 63.322 62.100 0.053 0.000 1.128 149 T CB -0.405 68.365 68.868 -0.163 0.000 0.891 149 T HN 0.410 nan 8.240 nan 0.000 0.492 150 Y N 2.670 123.114 120.300 0.239 0.000 2.286 150 Y HA 0.038 4.583 4.550 -0.009 0.000 0.293 150 Y C 3.117 179.188 175.900 0.284 0.000 1.124 150 Y CA -0.089 58.197 58.100 0.309 0.000 1.178 150 Y CB -1.056 37.654 38.460 0.415 0.000 1.010 150 Y HN 0.455 nan 8.280 nan 0.000 0.536 151 S N -0.075 115.906 115.700 0.468 0.000 2.389 151 S HA -0.329 4.136 4.470 -0.008 0.000 0.231 151 S C 2.047 176.788 174.600 0.235 0.000 1.052 151 S CA 1.601 60.003 58.200 0.336 0.000 1.053 151 S CB -1.391 62.042 63.200 0.390 0.000 0.886 151 S HN 0.330 nan 8.310 nan 0.000 0.456 152 F N 1.787 121.821 119.950 0.140 0.000 2.134 152 F HA 0.148 4.671 4.527 -0.007 0.000 0.299 152 F C 2.165 177.904 175.800 -0.102 0.000 1.097 152 F CA 1.290 59.303 58.000 0.021 0.000 1.264 152 F CB -0.204 38.818 39.000 0.037 0.000 1.001 152 F HN 0.176 nan 8.300 nan 0.000 0.479 153 L N -1.601 119.697 121.223 0.125 0.000 2.179 153 L HA -0.132 4.203 4.340 -0.008 0.000 0.208 153 L C 2.419 179.330 176.870 0.068 0.000 1.096 153 L CA 0.791 55.659 54.840 0.047 0.000 0.779 153 L CB -0.689 41.502 42.059 0.220 0.000 0.922 153 L HN -0.007 nan 8.230 nan 0.000 0.443 154 S N -0.429 115.343 115.700 0.121 0.000 2.399 154 S HA -0.141 4.324 4.470 -0.008 0.000 0.231 154 S C 1.932 176.555 174.600 0.039 0.000 1.022 154 S CA 0.996 59.287 58.200 0.151 0.000 0.983 154 S CB 0.008 63.333 63.200 0.209 0.000 0.803 154 S HN 0.169 nan 8.310 nan 0.000 0.480 155 V N 1.163 120.987 119.914 -0.150 0.000 2.535 155 V HA -0.001 4.114 4.120 -0.008 0.000 0.246 155 V C 2.487 178.210 176.094 -0.617 0.000 1.045 155 V CA 1.314 63.459 62.300 -0.257 0.000 1.058 155 V CB -0.854 30.801 31.823 -0.280 0.000 0.689 155 V HN 0.496 nan 8.190 nan 0.000 0.461 156 A N -0.343 121.791 122.820 -1.144 0.000 1.902 156 A HA -0.192 4.123 4.320 -0.008 0.000 0.217 156 A C 2.006 179.003 177.584 -0.978 0.000 1.181 156 A CA 1.824 52.895 52.037 -1.611 0.000 0.623 156 A CB -0.687 17.397 19.000 -1.528 0.000 0.818 156 A HN 0.463 nan 8.150 nan 0.000 0.443 157 F N 0.094 119.762 119.950 -0.470 0.000 2.186 157 F HA -0.008 4.514 4.527 -0.008 0.000 0.299 157 F C 2.763 178.340 175.800 -0.372 0.000 1.090 157 F CA 0.714 58.475 58.000 -0.397 0.000 1.307 157 F CB -0.583 38.261 39.000 -0.260 0.000 1.019 157 F HN 0.261 nan 8.300 nan 0.000 0.489 158 A N -0.339 122.483 122.820 0.004 0.000 1.859 158 A HA -0.318 3.997 4.320 -0.008 0.000 0.217 158 A C 2.118 179.671 177.584 -0.052 0.000 1.198 158 A CA 2.065 54.139 52.037 0.062 0.000 0.629 158 A CB -1.657 17.468 19.000 0.208 0.000 0.830 158 A HN 0.512 nan 8.150 nan 0.000 0.446 159 Y N -0.500 119.661 120.300 -0.231 0.000 2.145 159 Y HA -0.234 4.311 4.550 -0.008 0.000 0.286 159 Y C 1.990 177.749 175.900 -0.235 0.000 1.145 159 Y CA 1.913 59.820 58.100 -0.320 0.000 1.148 159 Y CB -0.529 37.684 38.460 -0.411 0.000 0.981 159 Y HN 0.245 nan 8.280 nan 0.000 0.507 160 F N -0.359 119.519 119.950 -0.120 0.000 2.091 160 F HA -0.242 4.280 4.527 -0.009 0.000 0.299 160 F C 2.176 177.795 175.800 -0.303 0.000 1.103 160 F CA 1.277 59.112 58.000 -0.275 0.000 1.228 160 F CB -1.624 37.188 39.000 -0.313 0.000 0.984 160 F HN 0.094 nan 8.300 nan 0.000 0.477 161 F N -1.073 118.765 119.950 -0.187 0.000 2.126 161 F HA -0.195 4.327 4.527 -0.008 0.000 0.299 161 F C 2.101 177.621 175.800 -0.467 0.000 1.096 161 F CA 1.309 59.010 58.000 -0.499 0.000 1.255 161 F CB -1.104 37.276 39.000 -1.033 0.000 0.997 161 F HN -0.099 nan 8.300 nan 0.000 0.479 162 F N -2.605 117.434 119.950 0.148 0.000 2.577 162 F HA 0.184 4.706 4.527 -0.008 0.000 0.276 162 F C 2.008 177.743 175.800 -0.108 0.000 1.032 162 F CA -0.047 57.972 58.000 0.032 0.000 1.297 162 F CB -1.248 37.788 39.000 0.060 0.000 1.061 162 F HN -0.406 nan 8.300 nan 0.000 0.680 163 V N 0.988 120.810 119.914 -0.154 0.000 2.970 163 V HA -0.056 4.059 4.120 -0.008 0.000 0.260 163 V C 1.643 177.444 176.094 -0.488 0.000 1.100 163 V CA 1.317 63.364 62.300 -0.421 0.000 1.122 163 V CB -0.519 30.773 31.823 -0.885 0.000 0.721 163 V HN 0.267 nan 8.190 nan 0.000 0.483 164 R N -0.756 119.492 120.500 -0.419 0.000 2.535 164 R HA 0.232 4.567 4.340 -0.008 0.000 0.323 164 R C 0.452 176.693 176.300 -0.100 0.000 0.979 164 R CA -0.352 55.587 56.100 -0.268 0.000 1.120 164 R CB 0.017 30.161 30.300 -0.261 0.000 1.306 164 R HN 0.367 nan 8.270 nan 0.000 0.540 165 K N 1.554 121.932 120.400 -0.036 0.000 3.196 165 K HA -0.195 4.120 4.320 -0.008 0.000 0.261 165 K C -0.077 176.552 176.600 0.049 0.000 0.872 165 K CA 0.759 57.076 56.287 0.050 0.000 0.645 165 K CB -1.156 31.374 32.500 0.050 0.000 1.433 165 K HN 0.272 nan 8.250 nan 0.000 0.471 166 M N 0.483 120.106 119.600 0.038 0.000 2.255 166 M HA 0.123 4.598 4.480 -0.008 0.000 0.336 166 M C 0.538 176.912 176.300 0.123 0.000 1.135 166 M CA 0.047 55.362 55.300 0.026 0.000 1.145 166 M CB 0.953 33.511 32.600 -0.071 0.000 1.473 166 M HN 0.102 nan 8.290 nan 0.000 0.462 167 E N 1.553 121.807 120.200 0.091 0.000 2.197 167 E HA 0.504 4.849 4.350 -0.008 0.000 0.281 167 E C -1.799 174.884 176.600 0.139 0.000 0.995 167 E CA -0.522 55.967 56.400 0.147 0.000 0.808 167 E CB 1.416 31.169 29.700 0.089 0.000 1.093 167 E HN 0.451 nan 8.360 nan 0.000 0.394 168 V N 6.929 126.999 119.914 0.260 0.000 2.567 168 V HA 0.217 4.332 4.120 -0.008 0.000 0.298 168 V C 0.385 176.611 176.094 0.220 0.000 1.047 168 V CA -0.314 62.109 62.300 0.204 0.000 0.880 168 V CB 1.489 33.408 31.823 0.160 0.000 1.009 168 V HN 0.707 nan 8.190 nan 0.000 0.429 169 I N 2.682 123.321 120.570 0.115 0.000 3.812 169 I HA 0.428 4.593 4.170 -0.008 0.000 0.292 169 I C 0.788 176.910 176.117 0.009 0.000 1.206 169 I CA -0.115 61.231 61.300 0.077 0.000 1.370 169 I CB 0.323 38.356 38.000 0.056 0.000 1.328 169 I HN 0.387 nan 8.210 nan 0.000 0.453 170 R N 0.789 121.282 120.500 -0.012 0.000 2.807 170 R HA 0.396 4.731 4.340 -0.008 0.000 0.276 170 R C -2.099 174.169 176.300 -0.052 0.000 0.979 170 R CA -1.603 54.441 56.100 -0.093 0.000 0.928 170 R CB 1.381 31.634 30.300 -0.079 0.000 1.191 170 R HN -0.295 nan 8.270 nan 0.000 0.471 171 P HA -0.270 nan 4.420 nan 0.000 0.217 171 P C 0.904 178.234 177.300 0.051 0.000 1.151 171 P CA 1.718 64.826 63.100 0.014 0.000 0.849 171 P CB 0.201 31.889 31.700 -0.021 0.000 0.787 172 S N -0.631 115.088 115.700 0.031 0.000 2.383 172 S HA -0.141 4.324 4.470 -0.008 0.000 0.227 172 S C 2.015 176.629 174.600 0.023 0.000 1.026 172 S CA 1.400 59.635 58.200 0.057 0.000 0.981 172 S CB -1.732 61.506 63.200 0.064 0.000 0.818 172 S HN 0.278 nan 8.310 nan 0.000 0.472 173 S N 1.893 117.591 115.700 -0.003 0.000 2.571 173 S HA -0.089 4.376 4.470 -0.008 0.000 0.245 173 S C 1.640 176.155 174.600 -0.142 0.000 0.976 173 S CA 1.202 59.377 58.200 -0.040 0.000 0.954 173 S CB -1.191 62.000 63.200 -0.016 0.000 0.756 173 S HN 0.849 nan 8.310 nan 0.000 0.535 174 T N -1.649 112.802 114.554 -0.171 0.000 3.001 174 T HA 0.364 4.709 4.350 -0.008 0.000 0.251 174 T C 1.418 175.963 174.700 -0.259 0.000 1.040 174 T CA -0.216 61.626 62.100 -0.431 0.000 0.985 174 T CB -0.379 68.236 68.868 -0.421 0.000 1.011 174 T HN 0.368 nan 8.240 nan 0.000 0.509 175 L N 1.161 122.346 121.223 -0.063 0.000 2.492 175 L HA 0.124 4.459 4.340 -0.008 0.000 0.223 175 L C 2.517 179.409 176.870 0.036 0.000 1.132 175 L CA 0.046 54.913 54.840 0.045 0.000 0.850 175 L CB -0.405 41.741 42.059 0.145 0.000 0.966 175 L HN 0.117 nan 8.230 nan 0.000 0.454 176 V N 0.967 120.875 119.914 -0.010 0.000 2.277 176 V HA -0.276 3.839 4.120 -0.008 0.000 0.255 176 V C -0.199 175.902 176.094 0.013 0.000 1.074 176 V CA 2.415 64.715 62.300 0.000 0.000 1.058 176 V CB -1.733 30.069 31.823 -0.035 0.000 0.656 176 V HN 0.414 nan 8.190 nan 0.000 0.449 177 P HA -0.067 nan 4.420 nan 0.000 0.219 177 P C 1.799 179.124 177.300 0.042 0.000 1.150 177 P CA 0.939 64.060 63.100 0.034 0.000 0.814 177 P CB -0.021 31.715 31.700 0.061 0.000 0.787 178 L N -0.240 121.016 121.223 0.054 0.000 2.179 178 L HA 0.002 4.337 4.340 -0.008 0.000 0.208 178 L C 1.754 178.633 176.870 0.014 0.000 1.096 178 L CA 1.434 56.305 54.840 0.052 0.000 0.779 178 L CB -0.300 41.812 42.059 0.089 0.000 0.922 178 L HN -0.061 nan 8.230 nan 0.000 0.443 179 V N -3.584 116.336 119.914 0.009 0.000 3.411 179 V HA 0.642 4.757 4.120 -0.008 0.000 0.287 179 V C 0.540 176.645 176.094 0.018 0.000 1.543 179 V CA 0.262 62.531 62.300 -0.052 0.000 1.028 179 V CB -0.215 31.528 31.823 -0.134 0.000 0.840 179 V HN 0.505 nan 8.190 nan 0.000 0.435 180 G N 1.261 110.082 108.800 0.035 0.000 3.190 180 G HA2 -0.170 3.785 3.960 -0.008 0.000 0.686 180 G HA3 -0.170 3.785 3.960 -0.008 0.000 0.686 180 G C 0.111 175.036 174.900 0.042 0.000 1.033 180 G CA 0.259 45.382 45.100 0.038 0.000 0.797 180 G HN 0.613 nan 8.290 nan 0.000 0.567 181 E N 1.366 121.579 120.200 0.022 0.000 2.208 181 E HA -0.293 4.052 4.350 -0.008 0.000 0.202 181 E C 2.833 179.444 176.600 0.019 0.000 1.014 181 E CA 2.946 59.357 56.400 0.018 0.000 0.819 181 E CB -0.143 29.560 29.700 0.004 0.000 0.735 181 E HN 1.047 nan 8.360 nan 0.000 0.469 182 K N 0.304 120.701 120.400 -0.005 0.000 1.987 182 K HA -0.245 4.070 4.320 -0.008 0.000 0.216 182 K C 1.817 178.388 176.600 -0.049 0.000 1.051 182 K CA 2.120 58.373 56.287 -0.058 0.000 0.942 182 K CB -1.474 30.950 32.500 -0.126 0.000 0.722 182 K HN 0.475 nan 8.250 nan 0.000 0.444 183 H N -0.841 118.232 119.070 0.005 0.000 2.428 183 H HA 0.263 4.814 4.556 -0.008 0.000 0.296 183 H C 2.526 177.943 175.328 0.149 0.000 1.062 183 H CA 1.091 57.161 56.048 0.037 0.000 1.350 183 H CB 0.186 29.873 29.762 -0.125 0.000 1.403 183 H HN 0.595 nan 8.280 nan 0.000 0.533 184 A N 0.945 123.905 122.820 0.234 0.000 1.897 184 A HA -0.114 4.201 4.320 -0.008 0.000 0.215 184 A C 2.046 179.713 177.584 0.139 0.000 1.181 184 A CA 1.058 53.218 52.037 0.206 0.000 0.620 184 A CB -0.008 19.068 19.000 0.128 0.000 0.821 184 A HN 0.157 nan 8.150 nan 0.000 0.443 185 K N 0.225 120.681 120.400 0.093 0.000 2.097 185 K HA -0.046 4.269 4.320 -0.008 0.000 0.205 185 K C 1.548 178.195 176.600 0.078 0.000 1.050 185 K CA 0.818 57.145 56.287 0.065 0.000 0.938 185 K CB -0.908 31.615 32.500 0.037 0.000 0.718 185 K HN 0.436 nan 8.250 nan 0.000 0.442 186 G N 1.622 110.480 108.800 0.098 0.000 2.393 186 G HA2 0.033 3.988 3.960 -0.008 0.000 0.268 186 G HA3 0.033 3.988 3.960 -0.008 0.000 0.268 186 G C 1.264 176.249 174.900 0.143 0.000 1.472 186 G CA 0.163 45.326 45.100 0.106 0.000 1.059 186 G HN 0.288 nan 8.290 nan 0.000 0.555 187 L N -3.059 118.264 121.223 0.168 0.000 2.249 187 L HA 0.333 4.668 4.340 -0.008 0.000 0.207 187 L C 2.540 179.517 176.870 0.179 0.000 1.090 187 L CA 0.770 55.697 54.840 0.144 0.000 0.802 187 L CB -0.540 41.591 42.059 0.119 0.000 0.947 187 L HN 0.373 nan 8.230 nan 0.000 0.453 188 F N 2.747 122.780 119.950 0.138 0.000 2.063 188 F HA -0.208 4.314 4.527 -0.009 0.000 0.298 188 F C 2.236 178.097 175.800 0.102 0.000 1.105 188 F CA 2.168 60.240 58.000 0.120 0.000 1.215 188 F CB -0.657 38.423 39.000 0.134 0.000 0.972 188 F HN 0.131 nan 8.300 nan 0.000 0.483 189 G N -1.952 106.981 108.800 0.222 0.000 2.484 189 G HA2 -0.127 3.828 3.960 -0.008 0.000 0.218 189 G HA3 -0.127 3.828 3.960 -0.008 0.000 0.218 189 G C 1.523 176.445 174.900 0.037 0.000 1.130 189 G CA 1.090 46.257 45.100 0.112 0.000 0.784 189 G HN 0.427 nan 8.290 nan 0.000 0.543 190 T N 1.300 115.881 114.554 0.045 0.000 2.896 190 T HA 0.037 4.382 4.350 -0.008 0.000 0.263 190 T C 2.403 177.090 174.700 -0.022 0.000 1.050 190 T CA 0.629 62.745 62.100 0.026 0.000 1.140 190 T CB -0.062 68.834 68.868 0.047 0.000 0.877 190 T HN 0.285 nan 8.240 nan 0.000 0.457 191 I N 1.098 121.632 120.570 -0.060 0.000 2.179 191 I HA -0.148 4.017 4.170 -0.008 0.000 0.242 191 I C 2.475 178.553 176.117 -0.065 0.000 1.088 191 I CA 0.859 62.083 61.300 -0.128 0.000 1.357 191 I CB -0.830 37.096 38.000 -0.124 0.000 1.051 191 I HN 0.037 nan 8.210 nan 0.000 0.409 192 V N 1.235 121.104 119.914 -0.075 0.000 2.282 192 V HA -0.331 3.784 4.120 -0.008 0.000 0.249 192 V C 1.980 178.150 176.094 0.127 0.000 1.057 192 V CA 2.316 64.629 62.300 0.021 0.000 1.032 192 V CB -0.743 31.017 31.823 -0.104 0.000 0.645 192 V HN 0.415 nan 8.190 nan 0.000 0.447 193 D N -0.513 119.923 120.400 0.060 0.000 2.312 193 D HA -0.080 4.555 4.640 -0.008 0.000 0.211 193 D C 2.010 178.364 176.300 0.090 0.000 0.964 193 D CA 0.586 54.623 54.000 0.062 0.000 0.877 193 D CB -0.262 40.543 40.800 0.008 0.000 0.924 193 D HN 0.404 nan 8.370 nan 0.000 0.515 194 N N -0.295 118.430 118.700 0.042 0.000 2.197 194 N HA -0.009 4.726 4.740 -0.008 0.000 0.184 194 N C 1.772 177.300 175.510 0.031 0.000 1.030 194 N CA 0.344 53.385 53.050 -0.015 0.000 0.851 194 N CB -0.510 37.903 38.487 -0.124 0.000 1.003 194 N HN 0.190 nan 8.380 nan 0.000 0.430 195 F N 0.749 120.730 119.950 0.052 0.000 2.087 195 F HA -0.313 4.209 4.527 -0.008 0.000 0.299 195 F C 2.431 178.269 175.800 0.064 0.000 1.100 195 F CA 1.227 59.258 58.000 0.052 0.000 1.226 195 F CB -0.364 38.661 39.000 0.042 0.000 0.983 195 F HN 0.091 nan 8.300 nan 0.000 0.479 196 Y N 0.856 121.278 120.300 0.204 0.000 2.030 196 Y HA -0.305 4.239 4.550 -0.009 0.000 0.274 196 Y C 2.186 178.108 175.900 0.036 0.000 1.153 196 Y CA 1.749 59.917 58.100 0.112 0.000 1.115 196 Y CB -0.872 37.638 38.460 0.083 0.000 0.969 196 Y HN -0.049 nan 8.280 nan 0.000 0.488 197 L N -0.986 120.446 121.223 0.349 0.000 1.956 197 L HA -0.323 4.012 4.340 -0.008 0.000 0.216 197 L C 2.413 179.231 176.870 -0.087 0.000 1.073 197 L CA 1.915 56.825 54.840 0.117 0.000 0.762 197 L CB -1.017 41.030 42.059 -0.019 0.000 0.889 197 L HN 0.171 nan 8.230 nan 0.000 0.433 198 V N 0.065 119.924 119.914 -0.091 0.000 2.233 198 V HA -0.425 3.690 4.120 -0.008 0.000 0.252 198 V C 2.709 178.655 176.094 -0.247 0.000 1.063 198 V CA 2.164 64.340 62.300 -0.208 0.000 1.032 198 V CB -1.406 30.386 31.823 -0.052 0.000 0.645 198 V HN 0.587 nan 8.190 nan 0.000 0.446 199 A N 0.031 122.841 122.820 -0.017 0.000 1.873 199 A HA -0.247 4.067 4.320 -0.008 0.000 0.218 199 A C 2.205 179.745 177.584 -0.073 0.000 1.193 199 A CA 2.383 54.451 52.037 0.051 0.000 0.629 199 A CB -0.755 18.245 19.000 -0.000 0.000 0.826 199 A HN 0.497 nan 8.150 nan 0.000 0.447 200 L N 0.434 121.533 121.223 -0.206 0.000 2.079 200 L HA -0.187 4.148 4.340 -0.008 0.000 0.210 200 L C 2.176 178.961 176.870 -0.142 0.000 1.081 200 L CA 1.808 56.522 54.840 -0.211 0.000 0.752 200 L CB -0.593 41.359 42.059 -0.179 0.000 0.896 200 L HN 0.464 nan 8.230 nan 0.000 0.433 201 I N -1.102 119.344 120.570 -0.207 0.000 2.076 201 I HA -0.307 3.858 4.170 -0.008 0.000 0.237 201 I C 2.546 178.605 176.117 -0.097 0.000 1.059 201 I CA 1.574 62.745 61.300 -0.216 0.000 1.317 201 I CB -1.926 35.859 38.000 -0.358 0.000 1.037 201 I HN 0.123 nan 8.210 nan 0.000 0.398 202 F N 1.745 121.689 119.950 -0.011 0.000 2.063 202 F HA -0.281 4.241 4.527 -0.009 0.000 0.298 202 F C 2.860 178.651 175.800 -0.015 0.000 1.105 202 F CA 1.637 59.631 58.000 -0.010 0.000 1.215 202 F CB -1.565 37.420 39.000 -0.025 0.000 0.972 202 F HN 0.115 nan 8.300 nan 0.000 0.483 203 A N 0.038 122.943 122.820 0.142 0.000 1.859 203 A HA -0.274 4.041 4.320 -0.008 0.000 0.217 203 A C 2.319 180.041 177.584 0.229 0.000 1.198 203 A CA 2.237 54.331 52.037 0.094 0.000 0.629 203 A CB -0.973 17.962 19.000 -0.109 0.000 0.830 203 A HN 0.388 nan 8.150 nan 0.000 0.446 204 M N -0.681 119.015 119.600 0.160 0.000 2.108 204 M HA -0.186 4.289 4.480 -0.008 0.000 0.257 204 M C 2.257 178.672 176.300 0.191 0.000 1.071 204 M CA 1.585 57.007 55.300 0.204 0.000 1.093 204 M CB -0.747 31.922 32.600 0.115 0.000 1.345 204 M HN 0.570 nan 8.290 nan 0.000 0.403 205 G N -0.043 108.855 108.800 0.163 0.000 2.434 205 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.214 205 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.214 205 G C 1.495 176.486 174.900 0.152 0.000 1.202 205 G CA 1.580 46.773 45.100 0.155 0.000 0.788 205 G HN 0.514 nan 8.290 nan 0.000 0.539 206 T N 0.535 115.177 114.554 0.147 0.000 2.822 206 T HA -0.200 4.145 4.350 -0.008 0.000 0.270 206 T C 2.510 177.325 174.700 0.192 0.000 1.064 206 T CA 2.449 64.610 62.100 0.101 0.000 1.131 206 T CB -0.573 68.292 68.868 -0.005 0.000 0.858 206 T HN 0.414 nan 8.240 nan 0.000 0.483 207 S N 1.758 117.652 115.700 0.324 0.000 2.355 207 S HA 0.003 4.468 4.470 -0.008 0.000 0.222 207 S C 1.955 176.662 174.600 0.178 0.000 1.031 207 S CA 0.928 59.361 58.200 0.388 0.000 0.993 207 S CB -0.923 62.547 63.200 0.450 0.000 0.859 207 S HN 0.384 nan 8.310 nan 0.000 0.453 208 L N 3.042 124.349 121.223 0.140 0.000 2.042 208 L HA 0.129 4.464 4.340 -0.008 0.000 0.210 208 L C 2.412 179.327 176.870 0.075 0.000 1.076 208 L CA 1.971 56.862 54.840 0.086 0.000 0.749 208 L CB -1.473 40.644 42.059 0.098 0.000 0.893 208 L HN 0.411 nan 8.230 nan 0.000 0.432 209 G N -0.968 107.870 108.800 0.064 0.000 2.470 209 G HA2 -0.192 3.763 3.960 -0.008 0.000 0.220 209 G HA3 -0.192 3.763 3.960 -0.008 0.000 0.220 209 G C 1.585 176.438 174.900 -0.078 0.000 1.121 209 G CA 0.938 46.047 45.100 0.016 0.000 0.766 209 G HN 0.440 nan 8.290 nan 0.000 0.553 210 L N 0.022 121.165 121.223 -0.134 0.000 2.127 210 L HA 0.131 4.466 4.340 -0.008 0.000 0.203 210 L C 3.342 180.073 176.870 -0.232 0.000 1.080 210 L CA 0.720 55.307 54.840 -0.421 0.000 0.768 210 L CB -0.341 41.420 42.059 -0.496 0.000 0.924 210 L HN 0.280 nan 8.230 nan 0.000 0.444 211 A N 0.080 122.868 122.820 -0.054 0.000 1.865 211 A HA -0.229 4.086 4.320 -0.008 0.000 0.217 211 A C 2.314 179.977 177.584 0.131 0.000 1.191 211 A CA 2.503 54.566 52.037 0.043 0.000 0.623 211 A CB -1.043 17.968 19.000 0.018 0.000 0.826 211 A HN 0.370 nan 8.150 nan 0.000 0.444 212 T N 0.744 115.388 114.554 0.150 0.000 2.570 212 T HA -0.130 4.215 4.350 -0.008 0.000 0.266 212 T C -0.176 174.663 174.700 0.230 0.000 1.071 212 T CA 2.183 64.426 62.100 0.237 0.000 1.172 212 T CB -1.468 67.515 68.868 0.192 0.000 0.864 212 T HN 0.410 nan 8.240 nan 0.000 0.421 213 P HA 0.057 nan 4.420 nan 0.000 0.225 213 P C 1.362 178.746 177.300 0.139 0.000 1.148 213 P CA 0.734 63.991 63.100 0.261 0.000 0.779 213 P CB -0.240 31.565 31.700 0.174 0.000 0.780 214 L N -1.434 119.887 121.223 0.163 0.000 2.072 214 L HA -0.098 4.237 4.340 -0.008 0.000 0.205 214 L C 2.236 179.259 176.870 0.255 0.000 1.079 214 L CA 1.215 56.169 54.840 0.190 0.000 0.752 214 L CB -0.913 41.318 42.059 0.287 0.000 0.906 214 L HN -0.101 nan 8.230 nan 0.000 0.436 215 V N -0.572 119.534 119.914 0.321 0.000 2.307 215 V HA -0.243 3.872 4.120 -0.008 0.000 0.245 215 V C 2.638 178.859 176.094 0.211 0.000 1.045 215 V CA 2.327 64.878 62.300 0.418 0.000 1.024 215 V CB -1.422 30.756 31.823 0.591 0.000 0.651 215 V HN 0.610 nan 8.190 nan 0.000 0.449 216 T N -2.568 112.101 114.554 0.190 0.000 2.985 216 T HA -0.055 4.290 4.350 -0.008 0.000 0.266 216 T C 1.686 176.454 174.700 0.113 0.000 1.076 216 T CA 0.850 63.025 62.100 0.126 0.000 1.135 216 T CB -0.182 68.797 68.868 0.185 0.000 0.890 216 T HN 0.389 nan 8.240 nan 0.000 0.480 217 E N 0.256 120.504 120.200 0.079 0.000 2.285 217 E HA 0.041 4.386 4.350 -0.008 0.000 0.194 217 E C 2.213 178.780 176.600 -0.055 0.000 0.997 217 E CA 0.268 56.631 56.400 -0.061 0.000 0.845 217 E CB -0.313 29.267 29.700 -0.201 0.000 0.782 217 E HN 0.538 nan 8.360 nan 0.000 0.491 218 C N 0.407 119.661 119.300 -0.077 0.000 2.476 218 C HA -0.039 4.416 4.460 -0.008 0.000 0.278 218 C C 2.731 177.496 174.990 -0.375 0.000 1.274 218 C CA 0.427 59.352 59.018 -0.155 0.000 1.713 218 C CB -0.785 26.882 27.740 -0.122 0.000 2.039 218 C HN 0.435 nan 8.230 nan 0.000 0.484 219 M N 0.219 119.426 119.600 -0.654 0.000 2.115 219 M HA -0.306 4.169 4.480 -0.008 0.000 0.258 219 M C 2.346 178.430 176.300 -0.360 0.000 1.071 219 M CA 2.275 57.041 55.300 -0.890 0.000 1.100 219 M CB -1.220 30.913 32.600 -0.779 0.000 1.292 219 M HN 0.477 nan 8.290 nan 0.000 0.415 220 Q N -0.417 119.280 119.800 -0.172 0.000 2.242 220 Q HA -0.270 4.065 4.340 -0.008 0.000 0.211 220 Q C 1.880 177.888 176.000 0.013 0.000 0.992 220 Q CA 2.266 58.046 55.803 -0.039 0.000 0.889 220 Q CB -0.301 28.438 28.738 0.001 0.000 0.913 220 Q HN 0.657 nan 8.270 nan 0.000 0.422 221 W N 0.203 121.422 121.300 -0.134 0.000 2.441 221 W HA -0.003 4.652 4.660 -0.008 0.000 0.302 221 W C 1.662 178.146 176.519 -0.059 0.000 1.191 221 W CA 1.020 58.301 57.345 -0.106 0.000 1.327 221 W CB -0.083 29.301 29.460 -0.127 0.000 1.128 221 W HN 0.095 nan 8.180 nan 0.000 0.522 222 L N -0.652 120.755 121.223 0.306 0.000 2.072 222 L HA -0.155 4.180 4.340 -0.008 0.000 0.205 222 L C 2.102 179.002 176.870 0.050 0.000 1.079 222 L CA 1.094 56.041 54.840 0.179 0.000 0.752 222 L CB -0.829 41.319 42.059 0.148 0.000 0.906 222 L HN 0.001 nan 8.230 nan 0.000 0.436 223 F N -1.083 118.760 119.950 -0.178 0.000 2.298 223 F HA 0.321 4.843 4.527 -0.008 0.000 0.282 223 F C 1.914 177.640 175.800 -0.124 0.000 1.045 223 F CA 0.591 58.519 58.000 -0.120 0.000 1.280 223 F CB -0.809 38.135 39.000 -0.093 0.000 1.114 223 F HN 0.056 nan 8.300 nan 0.000 0.546 224 G N -0.089 108.762 108.800 0.086 0.000 2.421 224 G HA2 -0.164 3.791 3.960 -0.008 0.000 0.188 224 G HA3 -0.164 3.791 3.960 -0.008 0.000 0.188 224 G C 0.190 175.095 174.900 0.008 0.000 1.001 224 G CA -0.263 44.834 45.100 -0.006 0.000 0.693 224 G HN 0.176 nan 8.290 nan 0.000 0.479 225 I N 3.283 123.872 120.570 0.033 0.000 2.792 225 I HA 0.167 4.331 4.170 -0.008 0.000 0.284 225 I C -1.829 174.285 176.117 -0.005 0.000 1.166 225 I CA -1.216 60.087 61.300 0.004 0.000 1.375 225 I CB 0.212 38.197 38.000 -0.025 0.000 1.421 225 I HN -0.072 nan 8.210 nan 0.000 0.544 226 P HA -0.116 nan 4.420 nan 0.000 0.261 226 P C -0.339 176.986 177.300 0.041 0.000 1.183 226 P CA 0.200 63.318 63.100 0.030 0.000 0.761 226 P CB 0.165 31.879 31.700 0.022 0.000 0.785 227 H N 3.123 122.181 119.070 -0.021 0.000 3.215 227 H HA 0.245 4.796 4.556 -0.009 0.000 0.253 227 H C 0.339 175.666 175.328 -0.001 0.000 1.102 227 H CA 0.229 56.267 56.048 -0.017 0.000 1.482 227 H CB -0.161 29.593 29.762 -0.012 0.000 1.542 227 H HN 0.359 nan 8.280 nan 0.000 0.498 228 T N 1.243 115.656 114.554 -0.235 0.000 2.883 228 T HA 0.173 4.518 4.350 -0.008 0.000 0.284 228 T C 0.906 175.452 174.700 -0.256 0.000 1.041 228 T CA -0.967 61.031 62.100 -0.170 0.000 1.007 228 T CB 1.119 69.940 68.868 -0.079 0.000 1.220 228 T HN 0.437 nan 8.240 nan 0.000 0.552 229 L N 0.564 121.703 121.223 -0.140 0.000 2.131 229 L HA 0.144 4.479 4.340 -0.008 0.000 0.206 229 L C 2.809 179.625 176.870 -0.090 0.000 1.087 229 L CA 1.514 56.286 54.840 -0.114 0.000 0.767 229 L CB -0.746 41.279 42.059 -0.055 0.000 0.917 229 L HN 0.751 nan 8.230 nan 0.000 0.441 230 Q N -1.088 118.669 119.800 -0.071 0.000 2.437 230 Q HA -0.161 4.174 4.340 -0.008 0.000 0.210 230 Q C 1.753 177.712 176.000 -0.068 0.000 0.972 230 Q CA 0.952 56.724 55.803 -0.053 0.000 0.903 230 Q CB -0.105 28.610 28.738 -0.038 0.000 0.967 230 Q HN 0.406 nan 8.270 nan 0.000 0.486 231 L N 0.084 121.245 121.223 -0.103 0.000 2.357 231 L HA 0.075 4.410 4.340 -0.008 0.000 0.211 231 L C 1.258 178.051 176.870 -0.128 0.000 1.075 231 L CA 1.393 56.164 54.840 -0.115 0.000 0.830 231 L CB 0.094 42.075 42.059 -0.129 0.000 0.996 231 L HN -0.115 nan 8.230 nan 0.000 0.467 232 D N 0.468 120.775 120.400 -0.155 0.000 2.144 232 D HA -0.088 4.547 4.640 -0.008 0.000 0.199 232 D C 2.108 178.378 176.300 -0.050 0.000 0.984 232 D CA 1.475 55.413 54.000 -0.103 0.000 0.834 232 D CB 0.067 40.802 40.800 -0.108 0.000 0.955 232 D HN 0.485 nan 8.370 nan 0.000 0.465 233 A N 0.333 123.123 122.820 -0.049 0.000 2.016 233 A HA -0.001 4.314 4.320 -0.008 0.000 0.217 233 A C 2.304 179.863 177.584 -0.042 0.000 1.162 233 A CA 0.207 52.230 52.037 -0.023 0.000 0.662 233 A CB -0.454 18.538 19.000 -0.012 0.000 0.812 233 A HN 0.137 nan 8.150 nan 0.000 0.450 234 I N 0.050 120.581 120.570 -0.065 0.000 2.151 234 I HA -0.308 3.857 4.170 -0.008 0.000 0.243 234 I C 2.158 178.197 176.117 -0.129 0.000 1.080 234 I CA 1.648 62.901 61.300 -0.079 0.000 1.339 234 I CB -0.181 37.769 38.000 -0.085 0.000 1.039 234 I HN 0.327 nan 8.210 nan 0.000 0.409 235 I N 0.170 120.628 120.570 -0.187 0.000 2.617 235 I HA -0.194 3.971 4.170 -0.008 0.000 0.256 235 I C 2.261 178.080 176.117 -0.497 0.000 1.167 235 I CA 0.943 62.001 61.300 -0.404 0.000 1.469 235 I CB -0.169 37.568 38.000 -0.439 0.000 1.098 235 I HN 0.189 nan 8.210 nan 0.000 0.436 236 I N 1.181 121.674 120.570 -0.129 0.000 2.454 236 I HA -0.247 3.918 4.170 -0.008 0.000 0.254 236 I C 2.709 178.879 176.117 0.087 0.000 1.156 236 I CA 1.792 63.158 61.300 0.110 0.000 1.433 236 I CB -0.601 37.485 38.000 0.144 0.000 1.082 236 I HN 0.400 nan 8.210 nan 0.000 0.432 237 T N -2.168 112.383 114.554 -0.004 0.000 2.894 237 T HA -0.091 4.253 4.350 -0.008 0.000 0.258 237 T C 2.060 176.767 174.700 0.012 0.000 1.043 237 T CA 0.822 62.933 62.100 0.019 0.000 1.141 237 T CB -0.819 68.050 68.868 0.002 0.000 0.873 237 T HN 0.333 nan 8.240 nan 0.000 0.449 238 C N 0.552 119.807 119.300 -0.076 0.000 2.393 238 C HA -0.089 4.366 4.460 -0.008 0.000 0.276 238 C C 2.436 177.455 174.990 0.049 0.000 1.215 238 C CA 0.648 59.619 59.018 -0.080 0.000 1.743 238 C CB -1.878 25.708 27.740 -0.257 0.000 2.044 238 C HN 0.733 nan 8.230 nan 0.000 0.464 239 W N 0.901 122.202 121.300 0.001 0.000 2.302 239 W HA -0.178 4.477 4.660 -0.008 0.000 0.320 239 W C 2.458 178.978 176.519 0.001 0.000 1.241 239 W CA 0.621 57.945 57.345 -0.035 0.000 1.264 239 W CB -0.539 28.894 29.460 -0.046 0.000 1.154 239 W HN 0.298 nan 8.180 nan 0.000 0.483 240 I N -0.232 120.489 120.570 0.253 0.000 2.226 240 I HA -0.315 3.849 4.170 -0.008 0.000 0.245 240 I C 2.234 178.425 176.117 0.124 0.000 1.100 240 I CA 1.297 62.695 61.300 0.163 0.000 1.374 240 I CB -0.723 37.354 38.000 0.127 0.000 1.057 240 I HN 0.021 nan 8.210 nan 0.000 0.413 241 I N 0.266 120.899 120.570 0.105 0.000 2.076 241 I HA -0.332 3.833 4.170 -0.008 0.000 0.237 241 I C 2.576 178.754 176.117 0.102 0.000 1.059 241 I CA 1.309 62.660 61.300 0.085 0.000 1.317 241 I CB -0.353 37.686 38.000 0.064 0.000 1.037 241 I HN 0.214 nan 8.210 nan 0.000 0.398 242 L N 1.506 122.806 121.223 0.128 0.000 2.051 242 L HA -0.303 4.032 4.340 -0.008 0.000 0.214 242 L C 2.153 179.100 176.870 0.129 0.000 1.076 242 L CA 2.189 57.116 54.840 0.145 0.000 0.758 242 L CB -1.282 40.902 42.059 0.208 0.000 0.890 242 L HN 0.336 nan 8.230 nan 0.000 0.433 243 N N -0.331 118.450 118.700 0.134 0.000 2.013 243 N HA -0.215 4.520 4.740 -0.008 0.000 0.195 243 N C 1.857 177.424 175.510 0.096 0.000 1.051 243 N CA 2.301 55.416 53.050 0.109 0.000 0.851 243 N CB -0.560 37.995 38.487 0.113 0.000 1.044 243 N HN 0.429 nan 8.380 nan 0.000 0.422 244 A N 0.659 123.535 122.820 0.092 0.000 1.896 244 A HA -0.232 4.083 4.320 -0.008 0.000 0.220 244 A C 2.467 180.093 177.584 0.070 0.000 1.206 244 A CA 2.099 54.182 52.037 0.077 0.000 0.647 244 A CB -1.297 17.744 19.000 0.067 0.000 0.828 244 A HN 0.500 nan 8.150 nan 0.000 0.455 245 I N -0.543 120.070 120.570 0.072 0.000 2.091 245 I HA -0.400 3.765 4.170 -0.008 0.000 0.239 245 I C 2.661 178.818 176.117 0.067 0.000 1.061 245 I CA 1.767 63.107 61.300 0.066 0.000 1.317 245 I CB -0.660 37.383 38.000 0.071 0.000 1.031 245 I HN 0.461 nan 8.210 nan 0.000 0.401 246 C N -0.122 119.223 119.300 0.075 0.000 2.413 246 C HA -0.120 4.335 4.460 -0.008 0.000 0.276 246 C C 2.858 177.890 174.990 0.070 0.000 1.248 246 C CA 0.504 59.565 59.018 0.072 0.000 1.742 246 C CB -0.865 26.921 27.740 0.076 0.000 2.017 246 C HN 0.385 nan 8.230 nan 0.000 0.481 247 V N 1.069 121.028 119.914 0.075 0.000 2.488 247 V HA -0.056 4.059 4.120 -0.008 0.000 0.246 247 V C 2.618 178.751 176.094 0.064 0.000 1.046 247 V CA 1.875 64.222 62.300 0.078 0.000 1.053 247 V CB -1.082 30.794 31.823 0.088 0.000 0.679 247 V HN 0.558 nan 8.190 nan 0.000 0.458 248 A N -1.852 121.003 122.820 0.058 0.000 2.216 248 A HA -0.177 4.138 4.320 -0.008 0.000 0.214 248 A C 1.944 179.553 177.584 0.043 0.000 1.160 248 A CA 1.548 53.613 52.037 0.047 0.000 0.725 248 A CB -0.727 18.299 19.000 0.044 0.000 0.784 248 A HN 0.594 nan 8.150 nan 0.000 0.472 249 C N -1.330 117.999 119.300 0.047 0.000 3.038 249 C HA 0.455 4.910 4.460 -0.008 0.000 0.279 249 C C 1.824 176.840 174.990 0.043 0.000 1.276 249 C CA -0.095 58.949 59.018 0.043 0.000 1.697 249 C CB -1.098 26.669 27.740 0.044 0.000 2.032 249 C HN 0.952 nan 8.230 nan 0.000 0.636 250 G N 1.528 110.357 108.800 0.049 0.000 2.341 250 G HA2 -0.273 3.681 3.960 -0.008 0.000 0.292 250 G HA3 -0.273 3.681 3.960 -0.008 0.000 0.292 250 G C 0.502 175.433 174.900 0.050 0.000 1.021 250 G CA 0.559 45.689 45.100 0.051 0.000 0.905 250 G HN 0.499 nan 8.290 nan 0.000 0.508 251 L N 0.718 121.973 121.223 0.053 0.000 2.591 251 L HA 0.153 4.488 4.340 -0.008 0.000 0.228 251 L C 2.723 179.625 176.870 0.053 0.000 1.133 251 L CA 1.757 56.627 54.840 0.050 0.000 0.880 251 L CB -0.245 41.846 42.059 0.053 0.000 1.033 251 L HN 0.633 nan 8.230 nan 0.000 0.450 252 Q N 0.802 120.638 119.800 0.060 0.000 2.308 252 Q HA -0.292 4.043 4.340 -0.008 0.000 0.209 252 Q C 1.593 177.624 176.000 0.052 0.000 0.985 252 Q CA 2.017 57.858 55.803 0.062 0.000 0.881 252 Q CB -0.603 28.181 28.738 0.078 0.000 0.917 252 Q HN 0.766 nan 8.270 nan 0.000 0.443 253 K N 0.345 120.773 120.400 0.047 0.000 2.103 253 K HA -0.074 4.241 4.320 -0.008 0.000 0.207 253 K C 1.910 178.533 176.600 0.037 0.000 1.048 253 K CA 1.638 57.949 56.287 0.040 0.000 0.930 253 K CB -0.305 32.216 32.500 0.034 0.000 0.716 253 K HN 0.190 nan 8.250 nan 0.000 0.444 254 A N 0.981 123.824 122.820 0.038 0.000 2.095 254 A HA 0.139 4.454 4.320 -0.008 0.000 0.212 254 A C 2.181 179.788 177.584 0.039 0.000 1.162 254 A CA 0.290 52.349 52.037 0.036 0.000 0.753 254 A CB -0.074 18.947 19.000 0.035 0.000 0.840 254 A HN 0.128 nan 8.150 nan 0.000 0.468 255 V N 0.603 120.543 119.914 0.043 0.000 2.343 255 V HA -0.294 3.821 4.120 -0.008 0.000 0.247 255 V C 2.616 178.733 176.094 0.037 0.000 1.051 255 V CA 2.308 64.632 62.300 0.041 0.000 1.036 255 V CB -0.781 31.067 31.823 0.042 0.000 0.654 255 V HN 0.570 nan 8.190 nan 0.000 0.451 256 R N -0.109 120.416 120.500 0.042 0.000 2.105 256 R HA -0.161 4.173 4.340 -0.008 0.000 0.239 256 R C 2.301 178.634 176.300 0.055 0.000 1.135 256 R CA 1.962 58.091 56.100 0.050 0.000 0.967 256 R CB -0.856 29.476 30.300 0.053 0.000 0.861 256 R HN 0.548 nan 8.270 nan 0.000 0.442 257 I N 0.404 121.000 120.570 0.044 0.000 2.394 257 I HA 0.046 4.211 4.170 -0.008 0.000 0.251 257 I C 2.467 178.606 176.117 0.036 0.000 1.136 257 I CA 2.058 63.379 61.300 0.036 0.000 1.425 257 I CB -1.451 36.562 38.000 0.021 0.000 1.079 257 I HN 0.349 nan 8.210 nan 0.000 0.425 258 A N -0.806 122.036 122.820 0.037 0.000 1.898 258 A HA -0.092 4.223 4.320 -0.008 0.000 0.214 258 A C 2.670 180.277 177.584 0.037 0.000 1.183 258 A CA 1.747 53.806 52.037 0.037 0.000 0.622 258 A CB -0.986 18.039 19.000 0.042 0.000 0.824 258 A HN 0.710 nan 8.150 nan 0.000 0.444 259 S N 0.242 115.964 115.700 0.036 0.000 2.365 259 S HA -0.256 4.209 4.470 -0.008 0.000 0.225 259 S C 1.623 176.265 174.600 0.069 0.000 1.039 259 S CA 2.172 60.390 58.200 0.030 0.000 1.033 259 S CB -0.560 62.660 63.200 0.033 0.000 0.887 259 S HN 0.583 nan 8.310 nan 0.000 0.447 260 D N 1.197 121.673 120.400 0.126 0.000 2.097 260 D HA -0.034 4.601 4.640 -0.008 0.000 0.195 260 D C 2.276 178.757 176.300 0.301 0.000 0.989 260 D CA 1.408 55.565 54.000 0.263 0.000 0.827 260 D CB -0.957 39.991 40.800 0.247 0.000 0.966 260 D HN 0.482 nan 8.370 nan 0.000 0.456 261 V N 1.256 121.247 119.914 0.127 0.000 2.453 261 V HA -0.280 3.835 4.120 -0.008 0.000 0.252 261 V C 2.376 178.521 176.094 0.084 0.000 1.068 261 V CA 2.368 64.716 62.300 0.080 0.000 1.070 261 V CB -0.687 31.148 31.823 0.021 0.000 0.664 261 V HN 0.037 nan 8.190 nan 0.000 0.461 262 R N -0.164 120.359 120.500 0.038 0.000 2.061 262 R HA -0.138 4.197 4.340 -0.008 0.000 0.230 262 R C 2.632 178.839 176.300 -0.155 0.000 1.140 262 R CA 1.798 57.868 56.100 -0.050 0.000 0.940 262 R CB -0.337 29.924 30.300 -0.065 0.000 0.839 262 R HN 0.599 nan 8.270 nan 0.000 0.429 263 S N 0.193 115.785 115.700 -0.180 0.000 2.368 263 S HA -0.210 4.255 4.470 -0.008 0.000 0.226 263 S C 1.839 175.967 174.600 -0.788 0.000 1.044 263 S CA 1.863 59.735 58.200 -0.547 0.000 1.062 263 S CB -0.621 62.364 63.200 -0.359 0.000 0.931 263 S HN 0.428 nan 8.310 nan 0.000 0.440 264 Y N 0.972 121.134 120.300 -0.230 0.000 2.181 264 Y HA -0.096 4.449 4.550 -0.008 0.000 0.288 264 Y C 2.379 178.225 175.900 -0.090 0.000 1.146 264 Y CA 0.788 58.877 58.100 -0.018 0.000 1.164 264 Y CB -0.530 37.989 38.460 0.098 0.000 0.982 264 Y HN 0.174 nan 8.280 nan 0.000 0.515 265 L N 0.149 121.377 121.223 0.009 0.000 2.042 265 L HA -0.227 4.108 4.340 -0.008 0.000 0.210 265 L C 2.530 179.299 176.870 -0.169 0.000 1.076 265 L CA 2.270 57.069 54.840 -0.067 0.000 0.749 265 L CB -1.178 40.831 42.059 -0.084 0.000 0.893 265 L HN 0.302 nan 8.230 nan 0.000 0.432 266 S N -1.253 114.270 115.700 -0.296 0.000 2.387 266 S HA -0.143 4.322 4.470 -0.008 0.000 0.226 266 S C 1.978 176.461 174.600 -0.195 0.000 1.026 266 S CA 0.882 58.882 58.200 -0.334 0.000 0.972 266 S CB -0.882 62.071 63.200 -0.411 0.000 0.814 266 S HN 0.358 nan 8.310 nan 0.000 0.477 267 F N 1.897 121.798 119.950 -0.082 0.000 2.102 267 F HA 0.098 4.620 4.527 -0.009 0.000 0.298 267 F C 2.246 178.047 175.800 0.002 0.000 1.105 267 F CA 0.398 58.378 58.000 -0.033 0.000 1.239 267 F CB -1.430 37.565 39.000 -0.008 0.000 0.991 267 F HN 0.257 nan 8.300 nan 0.000 0.474 268 L N -0.359 120.974 121.223 0.183 0.000 1.990 268 L HA -0.253 4.082 4.340 -0.008 0.000 0.213 268 L C 2.340 179.268 176.870 0.096 0.000 1.072 268 L CA 1.841 56.758 54.840 0.128 0.000 0.755 268 L CB -0.636 41.465 42.059 0.070 0.000 0.889 268 L HN 0.013 nan 8.230 nan 0.000 0.432 269 M N -0.909 118.672 119.600 -0.031 0.000 2.065 269 M HA -0.234 4.241 4.480 -0.008 0.000 0.259 269 M C 2.445 178.780 176.300 0.058 0.000 1.071 269 M CA 1.930 57.172 55.300 -0.098 0.000 1.109 269 M CB -1.289 31.012 32.600 -0.497 0.000 1.313 269 M HN 0.339 nan 8.290 nan 0.000 0.408 270 L N -0.423 120.821 121.223 0.034 0.000 2.013 270 L HA -0.209 4.126 4.340 -0.008 0.000 0.212 270 L C 2.626 179.613 176.870 0.196 0.000 1.073 270 L CA 1.597 56.507 54.840 0.117 0.000 0.753 270 L CB -1.374 40.755 42.059 0.117 0.000 0.890 270 L HN 0.434 nan 8.230 nan 0.000 0.432 271 G N -0.817 108.099 108.800 0.193 0.000 2.446 271 G HA2 -0.316 3.638 3.960 -0.008 0.000 0.217 271 G HA3 -0.316 3.638 3.960 -0.008 0.000 0.217 271 G C 1.366 176.458 174.900 0.320 0.000 1.168 271 G CA 0.657 45.887 45.100 0.217 0.000 0.771 271 G HN 0.578 nan 8.290 nan 0.000 0.551 272 W N 1.059 122.424 121.300 0.109 0.000 2.329 272 W HA -0.213 4.442 4.660 -0.008 0.000 0.324 272 W C 2.252 178.853 176.519 0.138 0.000 1.222 272 W CA 1.812 59.219 57.345 0.103 0.000 1.270 272 W CB -0.466 29.023 29.460 0.049 0.000 1.167 272 W HN 0.113 nan 8.180 nan 0.000 0.467 273 V N 1.297 121.243 119.914 0.054 0.000 2.453 273 V HA -0.346 3.769 4.120 -0.008 0.000 0.252 273 V C 2.022 178.099 176.094 -0.027 0.000 1.068 273 V CA 2.226 64.485 62.300 -0.069 0.000 1.070 273 V CB -1.414 30.476 31.823 0.111 0.000 0.664 273 V HN 0.294 nan 8.190 nan 0.000 0.461 274 F N 1.539 121.478 119.950 -0.019 0.000 2.051 274 F HA -0.185 4.336 4.527 -0.009 0.000 0.296 274 F C 2.239 178.022 175.800 -0.029 0.000 1.122 274 F CA 2.340 60.348 58.000 0.014 0.000 1.201 274 F CB -0.218 38.812 39.000 0.050 0.000 0.978 274 F HN 0.191 nan 8.300 nan 0.000 0.472 275 I N 0.611 121.250 120.570 0.115 0.000 2.617 275 I HA -0.045 4.120 4.170 -0.008 0.000 0.256 275 I C 2.125 178.133 176.117 -0.181 0.000 1.167 275 I CA 1.680 62.990 61.300 0.015 0.000 1.469 275 I CB -2.011 36.105 38.000 0.193 0.000 1.098 275 I HN 0.268 nan 8.210 nan 0.000 0.436 276 V N -0.413 119.297 119.914 -0.340 0.000 2.591 276 V HA -0.071 4.044 4.120 -0.008 0.000 0.249 276 V C 2.525 178.447 176.094 -0.287 0.000 1.053 276 V CA 1.922 63.968 62.300 -0.424 0.000 1.068 276 V CB -0.816 30.521 31.823 -0.810 0.000 0.689 276 V HN 0.472 nan 8.190 nan 0.000 0.462 277 S N 0.349 115.889 115.700 -0.267 0.000 2.446 277 S HA 0.371 4.836 4.470 -0.008 0.000 0.225 277 S C 1.163 175.660 174.600 -0.172 0.000 1.016 277 S CA 0.909 58.993 58.200 -0.193 0.000 0.943 277 S CB -0.478 62.642 63.200 -0.134 0.000 0.786 277 S HN 1.981 nan 8.310 nan 0.000 0.508 278 G N 0.162 108.825 108.800 -0.228 0.000 2.491 278 G HA2 0.232 4.187 3.960 -0.008 0.000 0.508 278 G HA3 0.232 4.187 3.960 -0.008 0.000 0.508 278 G C 0.442 175.207 174.900 -0.225 0.000 1.143 278 G CA -0.134 44.866 45.100 -0.166 0.000 1.277 278 G HN 0.561 nan 8.290 nan 0.000 0.599 279 A N 1.751 124.327 122.820 -0.407 0.000 1.859 279 A HA 0.021 4.336 4.320 -0.008 0.000 0.217 279 A C 2.926 180.449 177.584 -0.102 0.000 1.198 279 A CA 3.013 54.736 52.037 -0.524 0.000 0.629 279 A CB -0.935 17.950 19.000 -0.191 0.000 0.830 279 A HN 2.115 nan 8.150 nan 0.000 0.446 280 S N -1.273 114.429 115.700 0.003 0.000 2.378 280 S HA -0.280 4.185 4.470 -0.008 0.000 0.229 280 S C 1.766 176.424 174.600 0.098 0.000 1.052 280 S CA 2.248 60.489 58.200 0.069 0.000 1.084 280 S CB -0.671 62.574 63.200 0.075 0.000 0.950 280 S HN 0.716 nan 8.310 nan 0.000 0.440 281 F N 2.307 122.243 119.950 -0.023 0.000 2.010 281 F HA -0.060 4.462 4.527 -0.008 0.000 0.296 281 F C 2.094 177.944 175.800 0.084 0.000 1.146 281 F CA 1.960 59.967 58.000 0.012 0.000 1.181 281 F CB -0.908 38.069 39.000 -0.039 0.000 0.965 281 F HN 0.242 nan 8.300 nan 0.000 0.480 282 I N 0.114 120.649 120.570 -0.060 0.000 2.191 282 I HA -0.469 3.696 4.170 -0.008 0.000 0.248 282 I C 2.378 178.523 176.117 0.046 0.000 1.061 282 I CA 1.742 63.017 61.300 -0.041 0.000 1.329 282 I CB -0.657 37.327 38.000 -0.027 0.000 1.024 282 I HN 0.362 nan 8.210 nan 0.000 0.423 283 M N -0.038 119.607 119.600 0.076 0.000 2.062 283 M HA -0.151 4.324 4.480 -0.008 0.000 0.259 283 M C 2.074 178.432 176.300 0.096 0.000 1.076 283 M CA 1.657 57.041 55.300 0.141 0.000 1.122 283 M CB -1.716 30.968 32.600 0.140 0.000 1.312 283 M HN 0.299 nan 8.290 nan 0.000 0.412 284 N N -0.278 118.434 118.700 0.020 0.000 2.060 284 N HA -0.243 4.492 4.740 -0.008 0.000 0.195 284 N C 1.855 177.333 175.510 -0.053 0.000 1.028 284 N CA 1.669 54.716 53.050 -0.004 0.000 0.861 284 N CB -0.581 37.910 38.487 0.007 0.000 1.029 284 N HN 0.327 nan 8.380 nan 0.000 0.428 285 Y N 0.980 121.041 120.300 -0.398 0.000 2.224 285 Y HA -0.180 4.365 4.550 -0.008 0.000 0.289 285 Y C 2.261 178.055 175.900 -0.176 0.000 1.146 285 Y CA 1.017 58.867 58.100 -0.417 0.000 1.182 285 Y CB -0.724 37.205 38.460 -0.885 0.000 0.983 285 Y HN 0.002 nan 8.280 nan 0.000 0.524 286 F N 0.314 120.120 119.950 -0.239 0.000 2.113 286 F HA -0.175 4.347 4.527 -0.008 0.000 0.297 286 F C 2.209 177.875 175.800 -0.223 0.000 1.103 286 F CA 2.253 60.107 58.000 -0.243 0.000 1.248 286 F CB -0.888 38.066 39.000 -0.078 0.000 0.999 286 F HN -0.044 nan 8.300 nan 0.000 0.475 287 T N 0.091 114.601 114.554 -0.072 0.000 2.544 287 T HA -0.316 4.029 4.350 -0.008 0.000 0.264 287 T C 1.550 176.098 174.700 -0.253 0.000 1.096 287 T CA 1.975 63.997 62.100 -0.130 0.000 1.181 287 T CB -0.797 68.084 68.868 0.021 0.000 0.864 287 T HN 0.348 nan 8.240 nan 0.000 0.415 288 D N 0.533 120.824 120.400 -0.182 0.000 2.149 288 D HA -0.114 4.521 4.640 -0.008 0.000 0.194 288 D C 2.317 178.462 176.300 -0.260 0.000 1.001 288 D CA 1.424 55.328 54.000 -0.159 0.000 0.849 288 D CB -0.397 40.358 40.800 -0.074 0.000 0.939 288 D HN 0.256 nan 8.370 nan 0.000 0.449 289 S N -1.209 114.227 115.700 -0.439 0.000 2.382 289 S HA -0.109 4.356 4.470 -0.008 0.000 0.228 289 S C 2.171 176.467 174.600 -0.507 0.000 1.027 289 S CA 0.732 58.617 58.200 -0.525 0.000 0.991 289 S CB -0.195 62.556 63.200 -0.749 0.000 0.823 289 S HN 0.169 nan 8.310 nan 0.000 0.469 290 V N 1.588 121.134 119.914 -0.613 0.000 2.287 290 V HA -0.184 3.931 4.120 -0.008 0.000 0.248 290 V C 2.615 178.563 176.094 -0.243 0.000 1.053 290 V CA 2.044 64.049 62.300 -0.492 0.000 1.027 290 V CB -1.446 30.098 31.823 -0.466 0.000 0.646 290 V HN 0.587 nan 8.190 nan 0.000 0.447 291 G N -0.812 107.875 108.800 -0.188 0.000 2.440 291 G HA2 -0.280 3.675 3.960 -0.008 0.000 0.218 291 G HA3 -0.280 3.675 3.960 -0.008 0.000 0.218 291 G C 1.552 176.406 174.900 -0.078 0.000 1.154 291 G CA 1.163 46.200 45.100 -0.105 0.000 0.767 291 G HN 0.328 nan 8.290 nan 0.000 0.552 292 M N -0.152 119.393 119.600 -0.091 0.000 2.073 292 M HA -0.077 4.398 4.480 -0.008 0.000 0.258 292 M C 2.553 178.853 176.300 0.000 0.000 1.070 292 M CA 1.143 56.440 55.300 -0.005 0.000 1.103 292 M CB -1.082 31.453 32.600 -0.109 0.000 1.321 292 M HN 0.316 nan 8.290 nan 0.000 0.405 293 L N 0.962 122.114 121.223 -0.119 0.000 2.013 293 L HA -0.189 4.146 4.340 -0.008 0.000 0.212 293 L C 2.217 179.069 176.870 -0.031 0.000 1.073 293 L CA 1.838 56.617 54.840 -0.102 0.000 0.753 293 L CB -1.073 40.897 42.059 -0.148 0.000 0.890 293 L HN 0.257 nan 8.230 nan 0.000 0.432 294 L N -1.098 120.102 121.223 -0.039 0.000 2.079 294 L HA -0.239 4.096 4.340 -0.008 0.000 0.210 294 L C 2.620 179.460 176.870 -0.050 0.000 1.081 294 L CA 2.034 56.859 54.840 -0.025 0.000 0.752 294 L CB -0.425 41.617 42.059 -0.027 0.000 0.896 294 L HN 0.568 nan 8.230 nan 0.000 0.433 295 M N -2.528 117.027 119.600 -0.075 0.000 2.394 295 M HA -0.110 4.365 4.480 -0.008 0.000 0.266 295 M C 1.740 177.855 176.300 -0.308 0.000 1.098 295 M CA 1.512 56.703 55.300 -0.182 0.000 1.149 295 M CB -0.182 32.285 32.600 -0.222 0.000 1.369 295 M HN -0.031 nan 8.290 nan 0.000 0.450 296 Y N 0.621 120.805 120.300 -0.194 0.000 2.517 296 Y HA 0.147 4.692 4.550 -0.008 0.000 0.281 296 Y C 2.055 177.822 175.900 -0.222 0.000 1.125 296 Y CA 0.497 58.436 58.100 -0.268 0.000 1.283 296 Y CB -0.123 38.129 38.460 -0.347 0.000 1.042 296 Y HN 0.246 nan 8.280 nan 0.000 0.547 297 L N 0.998 122.212 121.223 -0.015 0.000 2.058 297 L HA -0.296 4.039 4.340 -0.008 0.000 0.226 297 L C -0.815 176.101 176.870 0.077 0.000 1.089 297 L CA 2.130 57.005 54.840 0.059 0.000 0.799 297 L CB -1.083 41.014 42.059 0.064 0.000 0.900 297 L HN 0.125 nan 8.230 nan 0.000 0.442 298 P HA -0.129 nan 4.420 nan 0.000 0.217 298 P C 1.204 178.603 177.300 0.165 0.000 1.151 298 P CA 0.946 64.126 63.100 0.135 0.000 0.828 298 P CB -0.084 31.648 31.700 0.053 0.000 0.788 299 R N 0.424 120.939 120.500 0.024 0.000 2.083 299 R HA -0.050 4.285 4.340 -0.008 0.000 0.237 299 R C 2.145 178.516 176.300 0.118 0.000 1.137 299 R CA 1.947 58.071 56.100 0.040 0.000 0.951 299 R CB -1.632 28.586 30.300 -0.137 0.000 0.851 299 R HN 0.162 nan 8.270 nan 0.000 0.434 300 M N -0.380 119.183 119.600 -0.063 0.000 2.117 300 M HA -0.139 4.336 4.480 -0.008 0.000 0.262 300 M C 1.955 178.102 176.300 -0.255 0.000 1.065 300 M CA 1.104 56.186 55.300 -0.365 0.000 1.114 300 M CB -0.452 31.458 32.600 -1.150 0.000 1.361 300 M HN 0.060 nan 8.290 nan 0.000 0.408 301 L N -0.179 121.042 121.223 -0.003 0.000 2.089 301 L HA -0.167 4.168 4.340 -0.008 0.000 0.213 301 L C 1.434 178.143 176.870 -0.268 0.000 1.079 301 L CA 2.081 56.931 54.840 0.016 0.000 0.758 301 L CB -0.591 41.343 42.059 -0.208 0.000 0.891 301 L HN 0.226 nan 8.230 nan 0.000 0.433 302 F N -4.008 115.974 119.950 0.053 0.000 2.729 302 F HA 0.184 4.708 4.527 -0.006 0.000 0.315 302 F C 0.212 176.080 175.800 0.113 0.000 1.102 302 F CA -1.040 56.960 58.000 0.000 0.000 1.204 302 F CB -0.388 38.554 39.000 -0.096 0.000 1.052 302 F HN -0.223 nan 8.300 nan 0.000 0.551 303 Y N 2.586 122.962 120.300 0.126 0.000 2.802 303 Y HA 0.055 4.600 4.550 -0.009 0.000 0.333 303 Y C 1.570 177.523 175.900 0.088 0.000 1.244 303 Y CA 0.269 58.429 58.100 0.100 0.000 1.558 303 Y CB 0.502 38.980 38.460 0.030 0.000 1.233 303 Y HN 0.194 nan 8.280 nan 0.000 0.547 304 T N -0.186 114.229 114.554 -0.232 0.000 3.058 304 T HA 0.098 4.443 4.350 -0.008 0.000 0.278 304 T C 0.161 174.621 174.700 -0.400 0.000 0.974 304 T CA 0.276 62.237 62.100 -0.231 0.000 0.893 304 T CB -0.267 68.591 68.868 -0.016 0.000 1.138 304 T HN 0.587 nan 8.240 nan 0.000 0.529 305 D N 3.005 122.974 120.400 -0.719 0.000 2.755 305 D HA -0.096 4.539 4.640 -0.008 0.000 0.227 305 D C -1.633 174.544 176.300 -0.205 0.000 1.211 305 D CA 0.905 54.610 54.000 -0.492 0.000 0.663 305 D CB -0.148 40.336 40.800 -0.528 0.000 0.983 305 D HN 0.364 nan 8.370 nan 0.000 0.407 306 P HA 0.034 nan 4.420 nan 0.000 0.240 306 P C 1.544 178.807 177.300 -0.061 0.000 1.190 306 P CA 0.082 63.129 63.100 -0.090 0.000 0.781 306 P CB 0.383 32.038 31.700 -0.076 0.000 0.931 307 I N 0.081 120.624 120.570 -0.045 0.000 2.681 307 I HA 0.080 4.245 4.170 -0.008 0.000 0.247 307 I C 2.310 178.416 176.117 -0.017 0.000 1.091 307 I CA 0.957 62.242 61.300 -0.025 0.000 1.442 307 I CB -1.793 36.200 38.000 -0.011 0.000 1.219 307 I HN -0.125 nan 8.210 nan 0.000 0.451 308 A N 0.807 123.623 122.820 -0.007 0.000 2.131 308 A HA -0.180 4.135 4.320 -0.008 0.000 0.220 308 A C 1.187 178.767 177.584 -0.006 0.000 1.158 308 A CA 0.668 52.708 52.037 0.004 0.000 0.665 308 A CB -0.798 18.218 19.000 0.026 0.000 0.795 308 A HN 0.514 nan 8.150 nan 0.000 0.460 309 K N -0.805 119.578 120.400 -0.028 0.000 3.100 309 K HA -0.200 4.114 4.320 -0.008 0.000 0.261 309 K C 0.548 177.140 176.600 -0.013 0.000 0.920 309 K CA 0.278 56.546 56.287 -0.033 0.000 0.683 309 K CB -2.280 30.203 32.500 -0.028 0.000 1.349 309 K HN 0.616 nan 8.250 nan 0.000 0.473 310 G N -0.328 108.473 108.800 0.002 0.000 2.432 310 G HA2 0.359 4.314 3.960 -0.008 0.000 0.257 310 G HA3 0.359 4.314 3.960 -0.008 0.000 0.257 310 G C 1.137 176.061 174.900 0.040 0.000 1.238 310 G CA -0.075 45.047 45.100 0.038 0.000 0.838 310 G HN 0.274 nan 8.290 nan 0.000 0.547 311 G N 0.866 109.694 108.800 0.046 0.000 2.744 311 G HA2 -0.090 3.865 3.960 -0.008 0.000 0.211 311 G HA3 -0.090 3.865 3.960 -0.008 0.000 0.211 311 G C 1.265 176.206 174.900 0.068 0.000 1.143 311 G CA 0.195 45.310 45.100 0.025 0.000 0.788 311 G HN 0.591 nan 8.290 nan 0.000 0.534 312 F N 2.463 122.417 119.950 0.005 0.000 2.050 312 F HA -0.261 4.261 4.527 -0.008 0.000 0.294 312 F C 0.505 176.368 175.800 0.105 0.000 1.113 312 F CA 2.654 60.707 58.000 0.088 0.000 1.225 312 F CB -0.418 38.632 39.000 0.082 0.000 0.953 312 F HN 0.157 nan 8.300 nan 0.000 0.501 313 P HA -0.185 nan 4.420 nan 0.000 0.216 313 P C 1.141 178.508 177.300 0.111 0.000 1.153 313 P CA 1.843 65.126 63.100 0.304 0.000 0.848 313 P CB -0.153 31.594 31.700 0.078 0.000 0.787 314 Q N -0.406 119.410 119.800 0.026 0.000 2.123 314 Q HA 0.022 4.357 4.340 -0.008 0.000 0.199 314 Q C 2.437 178.410 176.000 -0.044 0.000 0.966 314 Q CA 1.870 57.637 55.803 -0.060 0.000 0.845 314 Q CB -1.299 27.360 28.738 -0.131 0.000 0.907 314 Q HN 0.297 nan 8.270 nan 0.000 0.439 315 G N -1.970 106.802 108.800 -0.047 0.000 2.603 315 G HA2 -0.086 3.869 3.960 -0.008 0.000 0.214 315 G HA3 -0.086 3.869 3.960 -0.008 0.000 0.214 315 G C 0.645 175.280 174.900 -0.442 0.000 1.140 315 G CA -0.037 44.960 45.100 -0.172 0.000 0.800 315 G HN 0.294 nan 8.290 nan 0.000 0.533 316 W N -0.270 120.896 121.300 -0.222 0.000 3.434 316 W HA 0.190 4.845 4.660 -0.009 0.000 0.238 316 W C 2.804 178.973 176.519 -0.584 0.000 0.910 316 W CA 0.693 57.743 57.345 -0.490 0.000 2.222 316 W CB -0.094 29.079 29.460 -0.478 0.000 1.131 316 W HN -0.091 nan 8.180 nan 0.000 0.636 317 T N 1.004 115.546 114.554 -0.019 0.000 2.595 317 T HA -0.221 4.124 4.350 -0.008 0.000 0.264 317 T C 1.689 176.222 174.700 -0.278 0.000 1.058 317 T CA 2.191 64.145 62.100 -0.242 0.000 1.166 317 T CB -0.845 67.917 68.868 -0.176 0.000 0.863 317 T HN -0.175 nan 8.240 nan 0.000 0.415 318 V N 1.537 121.375 119.914 -0.127 0.000 2.392 318 V HA -0.165 3.950 4.120 -0.008 0.000 0.249 318 V C 1.920 177.983 176.094 -0.051 0.000 1.059 318 V CA 1.968 64.226 62.300 -0.070 0.000 1.051 318 V CB -0.899 30.884 31.823 -0.068 0.000 0.658 318 V HN 0.542 nan 8.190 nan 0.000 0.455 319 F N -0.092 119.773 119.950 -0.143 0.000 2.051 319 F HA -0.248 4.273 4.527 -0.009 0.000 0.296 319 F C 2.399 178.291 175.800 0.154 0.000 1.122 319 F CA 1.927 59.878 58.000 -0.082 0.000 1.201 319 F CB -0.412 38.479 39.000 -0.181 0.000 0.978 319 F HN 0.116 nan 8.300 nan 0.000 0.472 320 Y N -0.224 119.871 120.300 -0.342 0.000 2.070 320 Y HA -0.344 4.201 4.550 -0.009 0.000 0.280 320 Y C 2.654 178.829 175.900 0.459 0.000 1.148 320 Y CA 1.189 59.181 58.100 -0.179 0.000 1.125 320 Y CB -0.958 37.325 38.460 -0.296 0.000 0.975 320 Y HN 0.218 nan 8.280 nan 0.000 0.492 321 W N -0.110 121.324 121.300 0.224 0.000 2.262 321 W HA -0.423 4.232 4.660 -0.010 0.000 0.331 321 W C 2.677 179.354 176.519 0.263 0.000 1.315 321 W CA 0.616 58.081 57.345 0.199 0.000 1.302 321 W CB -0.503 29.064 29.460 0.179 0.000 1.128 321 W HN 0.132 nan 8.180 nan 0.000 0.482 322 A N -0.690 122.288 122.820 0.263 0.000 1.972 322 A HA -0.247 4.068 4.320 -0.008 0.000 0.219 322 A C 1.555 179.341 177.584 0.336 0.000 1.169 322 A CA 1.426 53.513 52.037 0.083 0.000 0.635 322 A CB -1.338 17.417 19.000 -0.408 0.000 0.810 322 A HN 0.497 nan 8.150 nan 0.000 0.446 323 W N -0.436 120.991 121.300 0.212 0.000 2.355 323 W HA -0.159 4.496 4.660 -0.009 0.000 0.309 323 W C 1.851 178.520 176.519 0.251 0.000 1.206 323 W CA 1.045 58.514 57.345 0.207 0.000 1.284 323 W CB -1.113 28.450 29.460 0.172 0.000 1.145 323 W HN 0.526 nan 8.180 nan 0.000 0.502 324 W N -0.054 121.484 121.300 0.396 0.000 2.342 324 W HA -0.208 4.448 4.660 -0.008 0.000 0.297 324 W C 2.395 179.117 176.519 0.340 0.000 1.213 324 W CA 2.048 59.556 57.345 0.273 0.000 1.251 324 W CB -1.034 28.428 29.460 0.004 0.000 1.136 324 W HN -0.381 nan 8.180 nan 0.000 0.526 325 V N 0.028 120.224 119.914 0.470 0.000 2.626 325 V HA -0.256 3.859 4.120 -0.008 0.000 0.252 325 V C 1.820 178.043 176.094 0.216 0.000 1.067 325 V CA 1.295 63.757 62.300 0.269 0.000 1.081 325 V CB -0.690 31.200 31.823 0.111 0.000 0.686 325 V HN 0.161 nan 8.190 nan 0.000 0.468 326 I N -1.018 119.675 120.570 0.205 0.000 2.130 326 I HA -0.190 3.975 4.170 -0.008 0.000 0.234 326 I C 2.263 178.388 176.117 0.013 0.000 1.067 326 I CA 1.682 62.993 61.300 0.019 0.000 1.339 326 I CB -0.387 37.573 38.000 -0.067 0.000 1.073 326 I HN 0.195 nan 8.210 nan 0.000 0.405 327 Y N 1.144 121.550 120.300 0.177 0.000 2.651 327 Y HA -0.228 4.317 4.550 -0.009 0.000 0.293 327 Y C 2.442 178.376 175.900 0.057 0.000 1.151 327 Y CA 0.421 58.588 58.100 0.111 0.000 1.362 327 Y CB -0.623 37.870 38.460 0.055 0.000 0.973 327 Y HN 0.221 nan 8.280 nan 0.000 0.561 328 A N 0.854 123.802 122.820 0.213 0.000 1.869 328 A HA -0.245 4.070 4.320 -0.008 0.000 0.218 328 A C 2.204 179.687 177.584 -0.168 0.000 1.203 328 A CA 2.130 54.093 52.037 -0.123 0.000 0.638 328 A CB -0.912 18.208 19.000 0.201 0.000 0.831 328 A HN 0.498 nan 8.150 nan 0.000 0.450 329 I N -0.762 119.868 120.570 0.100 0.000 2.202 329 I HA -0.242 3.922 4.170 -0.008 0.000 0.242 329 I C 2.663 178.786 176.117 0.011 0.000 1.091 329 I CA 1.209 62.593 61.300 0.139 0.000 1.368 329 I CB -0.592 37.624 38.000 0.361 0.000 1.058 329 I HN 0.375 nan 8.210 nan 0.000 0.410 330 Q N -0.080 119.790 119.800 0.116 0.000 2.152 330 Q HA -0.253 4.081 4.340 -0.008 0.000 0.206 330 Q C 2.079 178.108 176.000 0.049 0.000 0.985 330 Q CA 1.846 57.707 55.803 0.097 0.000 0.863 330 Q CB -0.465 28.390 28.738 0.195 0.000 0.904 330 Q HN 0.495 nan 8.270 nan 0.000 0.422 331 M N 0.034 119.643 119.600 0.016 0.000 2.134 331 M HA -0.066 4.409 4.480 -0.008 0.000 0.262 331 M C 2.109 178.467 176.300 0.097 0.000 1.076 331 M CA 1.244 56.564 55.300 0.034 0.000 1.143 331 M CB -0.063 32.574 32.600 0.062 0.000 1.346 331 M HN 0.001 nan 8.290 nan 0.000 0.421 332 S N 0.664 116.358 115.700 -0.010 0.000 2.392 332 S HA -0.205 4.260 4.470 -0.008 0.000 0.232 332 S C 1.847 176.518 174.600 0.118 0.000 1.041 332 S CA 1.815 60.072 58.200 0.096 0.000 1.026 332 S CB -0.813 62.474 63.200 0.145 0.000 0.845 332 S HN 0.510 nan 8.310 nan 0.000 0.465 333 I N 0.189 120.699 120.570 -0.100 0.000 2.226 333 I HA -0.200 3.965 4.170 -0.008 0.000 0.245 333 I C 2.150 178.392 176.117 0.207 0.000 1.100 333 I CA 1.359 62.608 61.300 -0.085 0.000 1.374 333 I CB -0.244 37.573 38.000 -0.304 0.000 1.057 333 I HN 0.269 nan 8.210 nan 0.000 0.413 334 F N 1.222 121.193 119.950 0.034 0.000 2.163 334 F HA -0.131 4.391 4.527 -0.009 0.000 0.297 334 F C 2.148 177.998 175.800 0.082 0.000 1.094 334 F CA 1.480 59.510 58.000 0.049 0.000 1.290 334 F CB -0.323 38.683 39.000 0.010 0.000 1.017 334 F HN -0.136 nan 8.300 nan 0.000 0.483 335 L N 0.186 121.700 121.223 0.486 0.000 2.042 335 L HA -0.217 4.118 4.340 -0.008 0.000 0.210 335 L C 2.826 179.853 176.870 0.261 0.000 1.076 335 L CA 1.235 56.277 54.840 0.337 0.000 0.749 335 L CB -1.350 40.882 42.059 0.289 0.000 0.893 335 L HN 0.302 nan 8.230 nan 0.000 0.432 336 A N 0.290 123.284 122.820 0.289 0.000 1.883 336 A HA -0.229 4.086 4.320 -0.008 0.000 0.217 336 A C 2.392 180.217 177.584 0.402 0.000 1.186 336 A CA 1.676 53.930 52.037 0.361 0.000 0.624 336 A CB -0.447 18.809 19.000 0.427 0.000 0.822 336 A HN 0.362 nan 8.150 nan 0.000 0.444 337 R N -1.015 119.629 120.500 0.240 0.000 2.062 337 R HA -0.054 4.281 4.340 -0.008 0.000 0.229 337 R C 2.289 178.692 176.300 0.172 0.000 1.128 337 R CA 1.469 57.680 56.100 0.185 0.000 0.960 337 R CB -0.980 29.295 30.300 -0.041 0.000 0.855 337 R HN 0.513 nan 8.270 nan 0.000 0.432 338 I N 0.353 120.904 120.570 -0.031 0.000 2.953 338 I HA -0.077 4.088 4.170 -0.008 0.000 0.271 338 I C 1.515 177.830 176.117 0.331 0.000 1.286 338 I CA 1.764 63.043 61.300 -0.036 0.000 1.449 338 I CB -0.618 37.147 38.000 -0.392 0.000 1.086 338 I HN 0.061 nan 8.210 nan 0.000 0.483 339 S N -0.914 115.026 115.700 0.402 0.000 2.754 339 S HA 0.305 4.770 4.470 -0.008 0.000 0.247 339 S C 0.782 175.519 174.600 0.229 0.000 1.031 339 S CA -0.573 57.898 58.200 0.453 0.000 1.014 339 S CB -0.247 63.323 63.200 0.615 0.000 0.918 339 S HN 0.766 nan 8.310 nan 0.000 0.519 340 R N 1.330 121.904 120.500 0.123 0.000 2.698 340 R HA 0.284 4.619 4.340 -0.008 0.000 0.266 340 R C 1.078 177.259 176.300 -0.199 0.000 1.026 340 R CA 1.444 57.394 56.100 -0.250 0.000 1.102 340 R CB -0.058 29.671 30.300 -0.952 0.000 0.978 340 R HN 0.393 nan 8.270 nan 0.000 0.436 341 G N 2.952 111.650 108.800 -0.170 0.000 2.176 341 G HA2 -0.286 3.669 3.960 -0.008 0.000 0.252 341 G HA3 -0.286 3.669 3.960 -0.008 0.000 0.252 341 G C -0.127 174.723 174.900 -0.085 0.000 1.024 341 G CA 0.293 45.324 45.100 -0.116 0.000 0.755 341 G HN 0.597 nan 8.290 nan 0.000 0.507 342 R N -0.774 119.702 120.500 -0.040 0.000 2.856 342 R HA 0.701 5.036 4.340 -0.008 0.000 0.258 342 R C 0.247 176.560 176.300 0.020 0.000 1.066 342 R CA -0.104 55.952 56.100 -0.075 0.000 1.045 342 R CB 0.996 31.191 30.300 -0.175 0.000 1.178 342 R HN 0.235 nan 8.270 nan 0.000 0.499 343 T N -0.643 113.907 114.554 -0.007 0.000 2.889 343 T HA 0.087 4.432 4.350 -0.008 0.000 0.291 343 T C 1.648 176.357 174.700 0.014 0.000 0.995 343 T CA -0.595 61.511 62.100 0.010 0.000 1.092 343 T CB 1.050 69.899 68.868 -0.032 0.000 0.954 343 T HN 0.273 nan 8.240 nan 0.000 0.506 344 V N 5.029 124.956 119.914 0.021 0.000 2.236 344 V HA -0.238 3.877 4.120 -0.008 0.000 0.255 344 V C 2.859 178.873 176.094 -0.134 0.000 1.068 344 V CA 2.765 65.061 62.300 -0.006 0.000 1.044 344 V CB -0.811 30.992 31.823 -0.033 0.000 0.653 344 V HN 0.959 nan 8.190 nan 0.000 0.448 345 R N -0.461 119.905 120.500 -0.224 0.000 2.120 345 R HA -0.205 4.130 4.340 -0.008 0.000 0.234 345 R C 2.321 178.450 176.300 -0.285 0.000 1.123 345 R CA 1.923 57.773 56.100 -0.416 0.000 0.975 345 R CB -0.303 29.774 30.300 -0.371 0.000 0.866 345 R HN 0.669 nan 8.270 nan 0.000 0.446 346 E N 0.206 120.363 120.200 -0.072 0.000 2.085 346 E HA -0.231 4.114 4.350 -0.008 0.000 0.194 346 E C 1.885 178.594 176.600 0.183 0.000 0.994 346 E CA 1.344 57.779 56.400 0.060 0.000 0.801 346 E CB -0.013 29.686 29.700 -0.001 0.000 0.743 346 E HN 0.242 nan 8.360 nan 0.000 0.453 347 L N 0.269 121.579 121.223 0.144 0.000 2.044 347 L HA -0.127 4.208 4.340 -0.008 0.000 0.205 347 L C 2.315 179.294 176.870 0.180 0.000 1.075 347 L CA 1.513 56.529 54.840 0.294 0.000 0.747 347 L CB -0.723 41.480 42.059 0.240 0.000 0.903 347 L HN 0.219 nan 8.230 nan 0.000 0.435 348 C N -0.293 118.978 119.300 -0.050 0.000 2.393 348 C HA -0.202 4.253 4.460 -0.008 0.000 0.276 348 C C 2.559 177.668 174.990 0.198 0.000 1.215 348 C CA 0.846 59.799 59.018 -0.109 0.000 1.743 348 C CB -1.440 25.789 27.740 -0.851 0.000 2.044 348 C HN 0.561 nan 8.230 nan 0.000 0.464 349 F N 1.509 121.534 119.950 0.126 0.000 2.234 349 F HA 0.057 4.579 4.527 -0.009 0.000 0.299 349 F C 2.416 178.310 175.800 0.158 0.000 1.087 349 F CA 1.211 59.322 58.000 0.187 0.000 1.340 349 F CB -1.605 37.464 39.000 0.115 0.000 1.031 349 F HN 0.293 nan 8.300 nan 0.000 0.500 350 G N 0.449 109.458 108.800 0.348 0.000 2.404 350 G HA2 -0.166 3.789 3.960 -0.008 0.000 0.213 350 G HA3 -0.166 3.789 3.960 -0.008 0.000 0.213 350 G C 1.667 176.521 174.900 -0.076 0.000 1.189 350 G CA 0.841 46.064 45.100 0.205 0.000 0.796 350 G HN 0.366 nan 8.290 nan 0.000 0.532 351 M N 0.187 119.754 119.600 -0.055 0.000 2.080 351 M HA 0.002 4.477 4.480 -0.008 0.000 0.260 351 M C 2.365 178.553 176.300 -0.186 0.000 1.068 351 M CA 1.612 56.811 55.300 -0.168 0.000 1.109 351 M CB -0.896 31.697 32.600 -0.013 0.000 1.342 351 M HN -0.015 nan 8.290 nan 0.000 0.405 352 V N 1.423 121.340 119.914 0.006 0.000 2.223 352 V HA -0.253 3.862 4.120 -0.008 0.000 0.244 352 V C 2.655 178.679 176.094 -0.118 0.000 1.045 352 V CA 2.068 64.357 62.300 -0.018 0.000 1.000 352 V CB -0.925 30.956 31.823 0.096 0.000 0.635 352 V HN 0.504 nan 8.190 nan 0.000 0.445 353 L N 0.275 121.470 121.223 -0.046 0.000 2.034 353 L HA -0.225 4.110 4.340 -0.008 0.000 0.217 353 L C 2.490 179.276 176.870 -0.140 0.000 1.077 353 L CA 2.185 56.973 54.840 -0.086 0.000 0.769 353 L CB -1.094 40.956 42.059 -0.016 0.000 0.890 353 L HN 0.491 nan 8.230 nan 0.000 0.435 354 G N -0.506 108.187 108.800 -0.178 0.000 2.575 354 G HA2 -0.218 3.737 3.960 -0.008 0.000 0.215 354 G HA3 -0.218 3.737 3.960 -0.008 0.000 0.215 354 G C 1.455 176.233 174.900 -0.203 0.000 1.262 354 G CA 0.899 45.879 45.100 -0.200 0.000 0.807 354 G HN 0.266 nan 8.290 nan 0.000 0.567 355 L N 0.519 121.460 121.223 -0.471 0.000 1.991 355 L HA -0.201 4.134 4.340 -0.008 0.000 0.221 355 L C 3.220 179.881 176.870 -0.348 0.000 1.079 355 L CA 2.174 56.562 54.840 -0.753 0.000 0.778 355 L CB -1.383 39.508 42.059 -1.946 0.000 0.893 355 L HN 0.238 nan 8.230 nan 0.000 0.437 356 T N -0.141 114.250 114.554 -0.273 0.000 2.721 356 T HA -0.279 4.066 4.350 -0.008 0.000 0.268 356 T C 2.006 176.679 174.700 -0.045 0.000 1.038 356 T CA 1.377 63.449 62.100 -0.047 0.000 1.145 356 T CB -0.531 68.115 68.868 -0.370 0.000 0.858 356 T HN 0.496 nan 8.240 nan 0.000 0.459 357 A N 1.395 124.206 122.820 -0.015 0.000 1.873 357 A HA -0.173 4.142 4.320 -0.008 0.000 0.218 357 A C 2.591 180.375 177.584 0.334 0.000 1.193 357 A CA 2.437 54.568 52.037 0.156 0.000 0.629 357 A CB -1.326 17.765 19.000 0.151 0.000 0.826 357 A HN 0.491 nan 8.150 nan 0.000 0.447 358 S N -0.665 115.168 115.700 0.222 0.000 2.354 358 S HA -0.217 4.248 4.470 -0.008 0.000 0.219 358 S C 2.300 176.954 174.600 0.090 0.000 1.035 358 S CA 3.092 61.149 58.200 -0.238 0.000 1.037 358 S CB -1.078 61.828 63.200 -0.490 0.000 0.956 358 S HN 0.857 nan 8.310 nan 0.000 0.428 359 T N -1.589 113.135 114.554 0.284 0.000 2.684 359 T HA -0.154 4.191 4.350 -0.008 0.000 0.267 359 T C 1.621 176.688 174.700 0.612 0.000 1.036 359 T CA 1.499 63.896 62.100 0.495 0.000 1.148 359 T CB -0.952 68.262 68.868 0.577 0.000 0.863 359 T HN 0.545 nan 8.240 nan 0.000 0.436 360 W N 1.547 123.033 121.300 0.309 0.000 2.363 360 W HA 0.212 4.867 4.660 -0.009 0.000 0.296 360 W C 2.297 178.997 176.519 0.301 0.000 1.212 360 W CA -0.641 56.897 57.345 0.322 0.000 1.260 360 W CB -0.969 28.683 29.460 0.320 0.000 1.131 360 W HN 0.292 nan 8.180 nan 0.000 0.530 361 I N -0.725 120.106 120.570 0.435 0.000 2.142 361 I HA -0.344 3.821 4.170 -0.008 0.000 0.240 361 I C 2.498 178.787 176.117 0.286 0.000 1.078 361 I CA 1.113 62.578 61.300 0.276 0.000 1.343 361 I CB -0.969 37.152 38.000 0.201 0.000 1.046 361 I HN -0.107 nan 8.210 nan 0.000 0.405 362 L N 0.467 121.861 121.223 0.284 0.000 1.934 362 L HA -0.318 4.017 4.340 -0.008 0.000 0.227 362 L C 2.501 179.519 176.870 0.247 0.000 1.084 362 L CA 1.984 56.946 54.840 0.203 0.000 0.790 362 L CB -0.560 41.594 42.059 0.158 0.000 0.896 362 L HN 0.391 nan 8.230 nan 0.000 0.437 363 W N 0.014 121.381 121.300 0.112 0.000 2.361 363 W HA -0.225 4.430 4.660 -0.008 0.000 0.270 363 W C 2.452 179.088 176.519 0.196 0.000 1.210 363 W CA 1.749 59.172 57.345 0.130 0.000 1.174 363 W CB -0.689 28.839 29.460 0.112 0.000 1.131 363 W HN 0.552 nan 8.180 nan 0.000 0.575 364 T N -4.608 110.204 114.554 0.429 0.000 3.051 364 T HA 0.013 4.358 4.350 -0.008 0.000 0.255 364 T C 1.692 176.598 174.700 0.342 0.000 1.085 364 T CA 0.542 62.864 62.100 0.371 0.000 1.109 364 T CB -0.377 68.712 68.868 0.369 0.000 0.921 364 T HN -0.141 nan 8.240 nan 0.000 0.488 365 V N 1.602 121.699 119.914 0.304 0.000 2.273 365 V HA 0.099 4.214 4.120 -0.008 0.000 0.242 365 V C 2.691 178.922 176.094 0.229 0.000 1.035 365 V CA 1.176 63.643 62.300 0.279 0.000 1.013 365 V CB -0.583 31.401 31.823 0.269 0.000 0.652 365 V HN 0.400 nan 8.190 nan 0.000 0.452 366 L N 0.357 121.693 121.223 0.189 0.000 2.083 366 L HA -0.069 4.265 4.340 -0.008 0.000 0.209 366 L C 2.563 179.529 176.870 0.161 0.000 1.083 366 L CA 1.768 56.703 54.840 0.159 0.000 0.752 366 L CB -1.120 40.992 42.059 0.088 0.000 0.899 366 L HN 0.505 nan 8.230 nan 0.000 0.433 367 G N -0.227 108.697 108.800 0.206 0.000 2.403 367 G HA2 -0.218 3.737 3.960 -0.008 0.000 0.216 367 G HA3 -0.218 3.737 3.960 -0.008 0.000 0.216 367 G C 1.766 176.826 174.900 0.266 0.000 1.154 367 G CA 0.849 46.097 45.100 0.248 0.000 0.784 367 G HN 0.497 nan 8.290 nan 0.000 0.538 368 S N 0.966 116.856 115.700 0.316 0.000 2.428 368 S HA -0.100 4.365 4.470 -0.008 0.000 0.230 368 S C 1.919 176.625 174.600 0.178 0.000 1.014 368 S CA 1.216 59.607 58.200 0.318 0.000 0.957 368 S CB -0.325 63.172 63.200 0.495 0.000 0.784 368 S HN 0.458 nan 8.310 nan 0.000 0.499 369 N N 2.885 121.669 118.700 0.140 0.000 2.004 369 N HA -0.196 4.539 4.740 -0.008 0.000 0.196 369 N C 1.897 177.424 175.510 0.029 0.000 1.064 369 N CA 3.151 56.239 53.050 0.063 0.000 0.855 369 N CB -1.317 37.222 38.487 0.087 0.000 1.056 369 N HN 0.492 nan 8.380 nan 0.000 0.423 370 T N -1.452 113.129 114.554 0.046 0.000 2.918 370 T HA -0.155 4.190 4.350 -0.008 0.000 0.271 370 T C 1.766 176.474 174.700 0.013 0.000 1.104 370 T CA 1.290 63.391 62.100 0.002 0.000 1.114 370 T CB -0.453 68.403 68.868 -0.019 0.000 0.855 370 T HN 0.283 nan 8.240 nan 0.000 0.518 371 L N 0.003 121.250 121.223 0.041 0.000 2.127 371 L HA 0.382 4.717 4.340 -0.008 0.000 0.203 371 L C 2.291 179.123 176.870 -0.063 0.000 1.080 371 L CA 1.230 56.082 54.840 0.018 0.000 0.768 371 L CB -0.696 41.384 42.059 0.034 0.000 0.924 371 L HN 0.283 nan 8.230 nan 0.000 0.444 372 L N -0.823 120.336 121.223 -0.108 0.000 2.046 372 L HA -0.228 4.107 4.340 -0.008 0.000 0.208 372 L C 2.583 179.377 176.870 -0.127 0.000 1.077 372 L CA 1.289 56.015 54.840 -0.190 0.000 0.747 372 L CB -0.638 41.281 42.059 -0.232 0.000 0.896 372 L HN 0.297 nan 8.230 nan 0.000 0.432 373 L N -0.376 120.794 121.223 -0.089 0.000 2.081 373 L HA -0.282 4.053 4.340 -0.008 0.000 0.212 373 L C 2.512 179.340 176.870 -0.070 0.000 1.080 373 L CA 1.444 56.237 54.840 -0.079 0.000 0.754 373 L CB -0.486 41.525 42.059 -0.080 0.000 0.893 373 L HN 0.319 nan 8.230 nan 0.000 0.433 374 I N -0.266 120.272 120.570 -0.054 0.000 2.252 374 I HA -0.252 3.913 4.170 -0.008 0.000 0.245 374 I C 1.442 177.536 176.117 -0.037 0.000 1.102 374 I CA 1.363 62.647 61.300 -0.027 0.000 1.385 374 I CB -0.425 37.588 38.000 0.021 0.000 1.064 374 I HN 0.220 nan 8.210 nan 0.000 0.414 375 D N 0.672 121.034 120.400 -0.064 0.000 2.349 375 D HA -0.034 4.601 4.640 -0.008 0.000 0.224 375 D C 1.760 178.014 176.300 -0.077 0.000 1.029 375 D CA 0.600 54.557 54.000 -0.072 0.000 0.879 375 D CB 0.136 40.872 40.800 -0.106 0.000 0.906 375 D HN 0.274 nan 8.370 nan 0.000 0.528 376 K N -0.397 119.958 120.400 -0.075 0.000 2.348 376 K HA 0.106 4.421 4.320 -0.008 0.000 0.194 376 K C 0.216 176.787 176.600 -0.049 0.000 1.052 376 K CA -0.045 56.201 56.287 -0.068 0.000 1.004 376 K CB 0.400 32.854 32.500 -0.076 0.000 0.873 376 K HN -0.116 nan 8.250 nan 0.000 0.523 377 N N 0.794 119.468 118.700 -0.043 0.000 2.681 377 N HA -0.219 4.516 4.740 -0.008 0.000 0.250 377 N C 0.614 176.103 175.510 -0.036 0.000 1.133 377 N CA 0.422 53.452 53.050 -0.034 0.000 0.732 377 N CB -1.246 37.226 38.487 -0.025 0.000 1.107 377 N HN 0.213 nan 8.380 nan 0.000 0.559 378 I N -0.627 119.918 120.570 -0.043 0.000 2.087 378 I HA -0.254 3.911 4.170 -0.008 0.000 0.240 378 I C 1.208 177.300 176.117 -0.042 0.000 1.054 378 I CA 1.540 62.816 61.300 -0.040 0.000 1.311 378 I CB -0.290 37.682 38.000 -0.046 0.000 1.024 378 I HN 0.273 nan 8.210 nan 0.000 0.402 379 L N -2.237 118.952 121.223 -0.057 0.000 2.354 379 L HA 0.545 4.880 4.340 -0.008 0.000 0.264 379 L C -0.302 176.526 176.870 -0.070 0.000 1.008 379 L CA -0.818 53.981 54.840 -0.067 0.000 0.819 379 L CB 1.605 43.607 42.059 -0.096 0.000 1.339 379 L HN -0.094 nan 8.230 nan 0.000 0.420 380 N N 2.216 120.879 118.700 -0.062 0.000 2.719 380 N HA 0.297 5.032 4.740 -0.008 0.000 0.243 380 N C 0.821 176.270 175.510 -0.101 0.000 1.104 380 N CA -0.178 52.838 53.050 -0.056 0.000 0.981 380 N CB 0.642 39.114 38.487 -0.025 0.000 1.290 380 N HN 0.853 nan 8.380 nan 0.000 0.513 381 I N 2.989 123.454 120.570 -0.174 0.000 2.208 381 I HA -0.193 3.972 4.170 -0.008 0.000 0.245 381 I C -0.751 175.172 176.117 -0.323 0.000 1.097 381 I CA 1.105 62.198 61.300 -0.345 0.000 1.363 381 I CB -0.987 36.638 38.000 -0.624 0.000 1.051 381 I HN 0.365 nan 8.210 nan 0.000 0.413 382 P HA -0.133 nan 4.420 nan 0.000 0.216 382 P C 1.346 178.638 177.300 -0.012 0.000 1.153 382 P CA 1.370 64.462 63.100 -0.013 0.000 0.848 382 P CB -0.147 31.609 31.700 0.092 0.000 0.787 383 N N -0.672 118.019 118.700 -0.015 0.000 2.354 383 N HA -0.027 4.707 4.740 -0.008 0.000 0.179 383 N C 1.662 177.190 175.510 0.031 0.000 1.021 383 N CA 0.653 53.705 53.050 0.004 0.000 0.887 383 N CB -0.442 38.051 38.487 0.009 0.000 0.974 383 N HN 0.104 nan 8.380 nan 0.000 0.437 384 L N 0.515 121.752 121.223 0.024 0.000 2.027 384 L HA -0.051 4.284 4.340 -0.008 0.000 0.206 384 L C 2.255 179.181 176.870 0.092 0.000 1.074 384 L CA 0.793 55.694 54.840 0.103 0.000 0.745 384 L CB -0.254 41.775 42.059 -0.049 0.000 0.898 384 L HN 0.103 nan 8.230 nan 0.000 0.433 385 I N 0.015 120.568 120.570 -0.029 0.000 2.226 385 I HA -0.284 3.881 4.170 -0.008 0.000 0.245 385 I C 3.096 179.224 176.117 0.018 0.000 1.100 385 I CA 1.538 62.832 61.300 -0.011 0.000 1.374 385 I CB -0.889 37.094 38.000 -0.029 0.000 1.057 385 I HN 0.349 nan 8.210 nan 0.000 0.413 386 E N 0.809 121.011 120.200 0.003 0.000 2.038 386 E HA -0.326 4.019 4.350 -0.008 0.000 0.195 386 E C 2.090 178.637 176.600 -0.089 0.000 1.000 386 E CA 1.884 58.271 56.400 -0.023 0.000 0.803 386 E CB -0.783 28.903 29.700 -0.022 0.000 0.750 386 E HN 0.685 nan 8.360 nan 0.000 0.448 387 Q N -2.433 117.262 119.800 -0.176 0.000 2.398 387 Q HA 0.060 4.395 4.340 -0.008 0.000 0.204 387 Q C 1.050 176.679 176.000 -0.618 0.000 0.932 387 Q CA 0.767 56.302 55.803 -0.447 0.000 0.916 387 Q CB 0.201 28.538 28.738 -0.669 0.000 1.024 387 Q HN 0.734 nan 8.270 nan 0.000 0.504 388 Y N -1.858 118.419 120.300 -0.039 0.000 2.441 388 Y HA 0.400 4.945 4.550 -0.009 0.000 0.266 388 Y C 0.618 176.486 175.900 -0.052 0.000 1.093 388 Y CA 0.178 58.250 58.100 -0.047 0.000 1.246 388 Y CB 1.520 39.937 38.460 -0.072 0.000 1.262 388 Y HN 0.064 nan 8.280 nan 0.000 0.518 389 G N 0.057 108.908 108.800 0.085 0.000 2.650 389 G HA2 -0.128 3.827 3.960 -0.008 0.000 0.686 389 G HA3 -0.128 3.827 3.960 -0.008 0.000 0.686 389 G C 0.322 175.235 174.900 0.021 0.000 1.205 389 G CA -0.561 44.569 45.100 0.051 0.000 0.781 389 G HN -0.018 nan 8.290 nan 0.000 0.648 390 V N 1.616 121.562 119.914 0.053 0.000 2.220 390 V HA -0.208 3.907 4.120 -0.008 0.000 0.250 390 V C 3.557 179.590 176.094 -0.101 0.000 1.056 390 V CA 3.786 66.097 62.300 0.018 0.000 1.016 390 V CB -1.499 30.422 31.823 0.164 0.000 0.639 390 V HN 2.132 nan 8.190 nan 0.000 0.446 391 A N -0.346 122.463 122.820 -0.018 0.000 1.958 391 A HA -0.328 3.986 4.320 -0.008 0.000 0.221 391 A C 2.353 179.770 177.584 -0.279 0.000 1.178 391 A CA 2.306 54.277 52.037 -0.110 0.000 0.642 391 A CB -0.655 18.329 19.000 -0.027 0.000 0.816 391 A HN 0.396 nan 8.150 nan 0.000 0.453 392 R N -0.260 120.095 120.500 -0.242 0.000 2.083 392 R HA -0.143 4.192 4.340 -0.008 0.000 0.237 392 R C 2.409 178.518 176.300 -0.319 0.000 1.137 392 R CA 1.848 57.785 56.100 -0.272 0.000 0.951 392 R CB -1.170 29.013 30.300 -0.194 0.000 0.851 392 R HN 0.516 nan 8.270 nan 0.000 0.434 393 A N 1.007 123.649 122.820 -0.297 0.000 1.858 393 A HA -0.139 4.176 4.320 -0.008 0.000 0.216 393 A C 2.444 179.736 177.584 -0.487 0.000 1.190 393 A CA 1.527 53.353 52.037 -0.352 0.000 0.617 393 A CB -0.672 18.115 19.000 -0.354 0.000 0.827 393 A HN 0.324 nan 8.150 nan 0.000 0.443 394 I N 0.282 120.507 120.570 -0.575 0.000 2.143 394 I HA -0.322 3.843 4.170 -0.008 0.000 0.245 394 I C 2.167 177.536 176.117 -1.247 0.000 1.068 394 I CA 1.468 62.259 61.300 -0.849 0.000 1.326 394 I CB -0.367 37.115 38.000 -0.863 0.000 1.028 394 I HN 0.324 nan 8.210 nan 0.000 0.412 395 I N 0.061 120.018 120.570 -1.023 0.000 2.394 395 I HA -0.186 3.979 4.170 -0.008 0.000 0.251 395 I C 2.383 178.107 176.117 -0.655 0.000 1.136 395 I CA 1.276 62.018 61.300 -0.930 0.000 1.425 395 I CB -1.202 36.471 38.000 -0.544 0.000 1.079 395 I HN 0.305 nan 8.210 nan 0.000 0.425 396 E N 0.727 120.627 120.200 -0.500 0.000 2.268 396 E HA -0.157 4.188 4.350 -0.008 0.000 0.195 396 E C 2.199 178.613 176.600 -0.310 0.000 0.995 396 E CA 1.676 57.876 56.400 -0.334 0.000 0.836 396 E CB -0.190 29.359 29.700 -0.253 0.000 0.763 396 E HN 0.591 nan 8.360 nan 0.000 0.491 397 T N -2.519 111.790 114.554 -0.409 0.000 3.043 397 T HA -0.063 4.282 4.350 -0.008 0.000 0.263 397 T C 1.469 176.096 174.700 -0.121 0.000 1.094 397 T CA 0.149 62.084 62.100 -0.274 0.000 1.127 397 T CB -0.187 68.506 68.868 -0.293 0.000 0.905 397 T HN 0.067 nan 8.240 nan 0.000 0.490 398 W N 1.661 122.724 121.300 -0.395 0.000 2.453 398 W HA 0.530 5.185 4.660 -0.009 0.000 0.289 398 W C 2.781 179.098 176.519 -0.337 0.000 1.215 398 W CA -0.082 56.983 57.345 -0.467 0.000 1.297 398 W CB -1.153 27.767 29.460 -0.899 0.000 1.113 398 W HN 0.435 nan 8.180 nan 0.000 0.551 399 A N 0.030 122.719 122.820 -0.218 0.000 2.123 399 A HA 0.316 4.631 4.320 -0.008 0.000 0.214 399 A C 2.054 179.582 177.584 -0.093 0.000 1.152 399 A CA 1.179 53.007 52.037 -0.349 0.000 0.728 399 A CB -0.693 17.844 19.000 -0.773 0.000 0.814 399 A HN 0.042 nan 8.150 nan 0.000 0.464 400 A N -0.454 122.327 122.820 -0.065 0.000 2.209 400 A HA 0.331 4.646 4.320 -0.008 0.000 0.212 400 A C 0.941 178.536 177.584 0.018 0.000 1.158 400 A CA 0.090 52.118 52.037 -0.015 0.000 0.742 400 A CB -0.423 18.550 19.000 -0.046 0.000 0.790 400 A HN 0.457 nan 8.150 nan 0.000 0.472 401 L N 0.198 121.448 121.223 0.045 0.000 2.453 401 L HA 0.250 4.585 4.340 -0.008 0.000 0.261 401 L C -2.176 174.783 176.870 0.149 0.000 1.179 401 L CA -2.102 52.789 54.840 0.086 0.000 0.813 401 L CB 0.365 42.517 42.059 0.155 0.000 1.110 401 L HN 0.016 nan 8.230 nan 0.000 0.466 402 P HA 0.059 nan 4.420 nan 0.000 0.268 402 P C -0.257 177.274 177.300 0.385 0.000 1.205 402 P CA -0.125 63.116 63.100 0.235 0.000 0.771 402 P CB 0.337 32.156 31.700 0.198 0.000 0.858 403 L N 0.276 121.670 121.223 0.284 0.000 3.634 403 L HA -0.276 4.059 4.340 -0.008 0.000 0.423 403 L C 1.465 178.480 176.870 0.241 0.000 1.253 403 L CA 0.547 55.531 54.840 0.241 0.000 0.885 403 L CB -2.594 39.585 42.059 0.201 0.000 1.789 403 L HN 0.478 nan 8.230 nan 0.000 0.904 404 S N -1.151 114.692 115.700 0.237 0.000 2.372 404 S HA -0.298 4.167 4.470 -0.008 0.000 0.227 404 S C 1.919 176.632 174.600 0.188 0.000 1.044 404 S CA 2.256 60.572 58.200 0.193 0.000 1.050 404 S CB -0.607 62.736 63.200 0.238 0.000 0.901 404 S HN 0.758 nan 8.310 nan 0.000 0.447 405 T N 1.159 115.920 114.554 0.345 0.000 2.708 405 T HA 0.035 4.380 4.350 -0.008 0.000 0.266 405 T C 1.985 176.926 174.700 0.401 0.000 1.037 405 T CA 1.320 63.685 62.100 0.442 0.000 1.146 405 T CB -0.901 68.207 68.868 0.400 0.000 0.865 405 T HN 0.530 nan 8.240 nan 0.000 0.435 406 A N 1.772 124.783 122.820 0.319 0.000 1.855 406 A HA -0.006 4.308 4.320 -0.008 0.000 0.215 406 A C 2.693 180.415 177.584 0.231 0.000 1.191 406 A CA 2.196 54.403 52.037 0.283 0.000 0.613 406 A CB -1.598 17.455 19.000 0.089 0.000 0.829 406 A HN 0.555 nan 8.150 nan 0.000 0.442 407 T N 0.360 115.009 114.554 0.159 0.000 2.649 407 T HA -0.223 4.122 4.350 -0.008 0.000 0.268 407 T C 1.841 176.719 174.700 0.296 0.000 1.036 407 T CA 1.873 64.098 62.100 0.207 0.000 1.157 407 T CB -0.306 68.766 68.868 0.341 0.000 0.861 407 T HN 0.297 nan 8.240 nan 0.000 0.445 408 M N -1.164 118.550 119.600 0.189 0.000 2.419 408 M HA 0.061 4.536 4.480 -0.008 0.000 0.264 408 M C 1.843 178.274 176.300 0.219 0.000 1.082 408 M CA 0.751 56.117 55.300 0.110 0.000 1.119 408 M CB -0.879 31.561 32.600 -0.267 0.000 1.398 408 M HN 0.427 nan 8.290 nan 0.000 0.453 409 W N 0.510 121.965 121.300 0.258 0.000 2.407 409 W HA -0.061 4.594 4.660 -0.008 0.000 0.305 409 W C 2.491 179.121 176.519 0.184 0.000 1.196 409 W CA 1.282 58.792 57.345 0.275 0.000 1.311 409 W CB -0.705 28.860 29.460 0.176 0.000 1.135 409 W HN 0.294 nan 8.180 nan 0.000 0.514 410 G N 0.025 109.019 108.800 0.323 0.000 2.491 410 G HA2 -0.325 3.630 3.960 -0.008 0.000 0.218 410 G HA3 -0.325 3.630 3.960 -0.008 0.000 0.218 410 G C 1.259 176.163 174.900 0.008 0.000 1.180 410 G CA 1.163 46.306 45.100 0.072 0.000 0.774 410 G HN 0.155 nan 8.290 nan 0.000 0.562 411 F N -0.169 119.782 119.950 0.002 0.000 2.102 411 F HA 0.029 4.551 4.527 -0.009 0.000 0.298 411 F C 2.304 178.179 175.800 0.126 0.000 1.105 411 F CA 1.193 59.119 58.000 -0.124 0.000 1.239 411 F CB -0.605 38.163 39.000 -0.386 0.000 0.991 411 F HN 0.131 nan 8.300 nan 0.000 0.474 412 F N 1.154 121.258 119.950 0.256 0.000 2.043 412 F HA -0.261 4.261 4.527 -0.009 0.000 0.297 412 F C 2.207 178.183 175.800 0.294 0.000 1.121 412 F CA 1.473 59.619 58.000 0.244 0.000 1.199 412 F CB -1.135 37.935 39.000 0.117 0.000 0.968 412 F HN -0.076 nan 8.300 nan 0.000 0.478 413 I N -0.323 120.320 120.570 0.121 0.000 2.118 413 I HA -0.335 3.830 4.170 -0.008 0.000 0.241 413 I C 2.442 178.621 176.117 0.105 0.000 1.070 413 I CA 1.374 62.678 61.300 0.008 0.000 1.327 413 I CB -0.814 37.219 38.000 0.055 0.000 1.034 413 I HN 0.246 nan 8.210 nan 0.000 0.405 414 L N 0.797 122.058 121.223 0.064 0.000 1.963 414 L HA -0.306 4.029 4.340 -0.008 0.000 0.220 414 L C 2.622 179.527 176.870 0.058 0.000 1.076 414 L CA 2.046 56.884 54.840 -0.003 0.000 0.772 414 L CB -0.893 41.086 42.059 -0.133 0.000 0.892 414 L HN 0.359 nan 8.230 nan 0.000 0.435 415 C N -1.173 118.221 119.300 0.158 0.000 2.413 415 C HA -0.192 4.263 4.460 -0.008 0.000 0.277 415 C C 2.501 177.591 174.990 0.165 0.000 1.265 415 C CA 0.811 59.946 59.018 0.194 0.000 1.752 415 C CB -1.390 26.564 27.740 0.357 0.000 1.998 415 C HN 0.666 nan 8.230 nan 0.000 0.489 416 F N 2.467 122.478 119.950 0.100 0.000 2.000 416 F HA -0.105 4.417 4.527 -0.008 0.000 0.295 416 F C 2.333 178.090 175.800 -0.072 0.000 1.159 416 F CA 2.213 60.290 58.000 0.128 0.000 1.171 416 F CB -0.581 38.436 39.000 0.029 0.000 0.971 416 F HN 0.221 nan 8.300 nan 0.000 0.479 417 I N -0.505 120.173 120.570 0.181 0.000 2.423 417 I HA -0.168 3.997 4.170 -0.008 0.000 0.254 417 I C 2.123 178.167 176.117 -0.122 0.000 1.151 417 I CA 1.561 62.882 61.300 0.036 0.000 1.421 417 I CB -1.597 36.463 38.000 0.101 0.000 1.079 417 I HN 0.234 nan 8.210 nan 0.000 0.431 418 A N 2.060 124.804 122.820 -0.127 0.000 1.873 418 A HA -0.121 4.194 4.320 -0.008 0.000 0.215 418 A C 2.356 179.778 177.584 -0.269 0.000 1.186 418 A CA 2.425 54.365 52.037 -0.162 0.000 0.616 418 A CB -1.233 17.695 19.000 -0.119 0.000 0.823 418 A HN 0.537 nan 8.150 nan 0.000 0.442 419 T N -0.173 114.125 114.554 -0.426 0.000 2.821 419 T HA -0.095 4.250 4.350 -0.008 0.000 0.267 419 T C 1.876 176.138 174.700 -0.730 0.000 1.046 419 T CA 1.364 63.085 62.100 -0.631 0.000 1.139 419 T CB -0.550 67.744 68.868 -0.957 0.000 0.871 419 T HN 0.137 nan 8.240 nan 0.000 0.454 420 V N 2.050 121.473 119.914 -0.817 0.000 2.220 420 V HA -0.275 3.840 4.120 -0.008 0.000 0.250 420 V C 2.815 178.754 176.094 -0.259 0.000 1.056 420 V CA 2.407 64.410 62.300 -0.494 0.000 1.016 420 V CB -1.517 30.120 31.823 -0.310 0.000 0.639 420 V HN 0.524 nan 8.190 nan 0.000 0.446 421 T N 0.807 115.239 114.554 -0.202 0.000 2.620 421 T HA -0.299 4.046 4.350 -0.008 0.000 0.267 421 T C 1.855 176.487 174.700 -0.113 0.000 1.044 421 T CA 2.271 64.300 62.100 -0.119 0.000 1.161 421 T CB -0.563 68.240 68.868 -0.108 0.000 0.862 421 T HN 0.354 nan 8.240 nan 0.000 0.438 422 L N 1.594 122.723 121.223 -0.156 0.000 1.971 422 L HA -0.123 4.212 4.340 -0.008 0.000 0.215 422 L C 2.464 179.289 176.870 -0.075 0.000 1.072 422 L CA 1.752 56.522 54.840 -0.117 0.000 0.758 422 L CB -1.182 40.788 42.059 -0.148 0.000 0.889 422 L HN 0.156 nan 8.230 nan 0.000 0.433 423 V N 0.719 120.559 119.914 -0.122 0.000 2.233 423 V HA -0.350 3.765 4.120 -0.008 0.000 0.247 423 V C 2.598 178.701 176.094 0.016 0.000 1.050 423 V CA 2.119 64.389 62.300 -0.049 0.000 1.010 423 V CB -1.231 30.545 31.823 -0.077 0.000 0.637 423 V HN 0.707 nan 8.190 nan 0.000 0.444 424 N N 0.780 119.482 118.700 0.004 0.000 2.096 424 N HA -0.243 4.492 4.740 -0.008 0.000 0.195 424 N C 1.708 177.268 175.510 0.084 0.000 1.017 424 N CA 2.296 55.378 53.050 0.053 0.000 0.870 424 N CB -0.342 38.163 38.487 0.031 0.000 1.024 424 N HN 0.494 nan 8.380 nan 0.000 0.434 425 A N 0.012 122.857 122.820 0.041 0.000 1.873 425 A HA -0.096 4.219 4.320 -0.008 0.000 0.215 425 A C 2.843 180.486 177.584 0.099 0.000 1.186 425 A CA 1.452 53.517 52.037 0.047 0.000 0.616 425 A CB -1.046 17.954 19.000 0.000 0.000 0.823 425 A HN 0.556 nan 8.150 nan 0.000 0.442 426 C N 0.356 119.707 119.300 0.084 0.000 2.425 426 C HA -0.072 4.383 4.460 -0.008 0.000 0.277 426 C C 3.317 178.362 174.990 0.091 0.000 1.280 426 C CA 1.236 60.306 59.018 0.086 0.000 1.744 426 C CB -1.335 26.452 27.740 0.078 0.000 1.989 426 C HN 0.756 nan 8.230 nan 0.000 0.491 427 S N 0.192 115.972 115.700 0.133 0.000 2.345 427 S HA -0.232 4.233 4.470 -0.008 0.000 0.220 427 S C 1.685 176.395 174.600 0.183 0.000 1.031 427 S CA 1.397 59.700 58.200 0.171 0.000 0.996 427 S CB -1.124 62.183 63.200 0.178 0.000 0.882 427 S HN 0.698 nan 8.310 nan 0.000 0.445 428 Y N 2.936 123.277 120.300 0.069 0.000 2.014 428 Y HA -0.281 4.263 4.550 -0.009 0.000 0.272 428 Y C 2.710 178.631 175.900 0.036 0.000 1.164 428 Y CA 2.377 60.514 58.100 0.062 0.000 1.114 428 Y CB -1.081 37.412 38.460 0.055 0.000 0.961 428 Y HN 0.259 nan 8.280 nan 0.000 0.489 429 T N 1.604 116.415 114.554 0.429 0.000 2.720 429 T HA -0.229 4.116 4.350 -0.008 0.000 0.268 429 T C 1.955 176.677 174.700 0.037 0.000 1.037 429 T CA 1.727 63.989 62.100 0.271 0.000 1.144 429 T CB -0.574 68.395 68.868 0.170 0.000 0.864 429 T HN 0.329 nan 8.240 nan 0.000 0.444 430 L N 0.568 121.742 121.223 -0.082 0.000 1.976 430 L HA -0.101 4.234 4.340 -0.008 0.000 0.209 430 L C 3.097 179.725 176.870 -0.403 0.000 1.071 430 L CA 1.389 55.990 54.840 -0.399 0.000 0.746 430 L CB -0.756 40.915 42.059 -0.645 0.000 0.890 430 L HN 0.265 nan 8.230 nan 0.000 0.432 431 A N -0.600 122.152 122.820 -0.114 0.000 1.948 431 A HA -0.273 4.041 4.320 -0.008 0.000 0.220 431 A C 2.283 179.894 177.584 0.045 0.000 1.177 431 A CA 1.857 54.000 52.037 0.176 0.000 0.636 431 A CB -0.461 18.666 19.000 0.211 0.000 0.815 431 A HN 0.362 nan 8.150 nan 0.000 0.449 432 M N 0.276 119.838 119.600 -0.063 0.000 2.132 432 M HA -0.102 4.373 4.480 -0.008 0.000 0.263 432 M C 2.105 178.393 176.300 -0.020 0.000 1.065 432 M CA 1.887 57.141 55.300 -0.077 0.000 1.122 432 M CB -0.850 31.699 32.600 -0.085 0.000 1.365 432 M HN 0.588 nan 8.290 nan 0.000 0.411 433 S N -2.089 113.587 115.700 -0.039 0.000 2.603 433 S HA -0.020 4.445 4.470 -0.008 0.000 0.220 433 S C 1.575 176.164 174.600 -0.020 0.000 0.967 433 S CA 0.896 59.070 58.200 -0.044 0.000 0.920 433 S CB -0.327 62.820 63.200 -0.089 0.000 0.773 433 S HN 0.457 nan 8.310 nan 0.000 0.529 434 T N 0.179 114.750 114.554 0.028 0.000 3.044 434 T HA 0.290 4.635 4.350 -0.008 0.000 0.260 434 T C 0.063 174.884 174.700 0.201 0.000 1.019 434 T CA -0.166 62.025 62.100 0.151 0.000 0.921 434 T CB -0.297 68.734 68.868 0.272 0.000 1.053 434 T HN 0.427 nan 8.240 nan 0.000 0.533 435 C N 2.883 122.253 119.300 0.117 0.000 2.329 435 C HA 0.892 5.347 4.460 -0.008 0.000 0.329 435 C C 0.912 175.925 174.990 0.038 0.000 1.275 435 C CA -1.175 57.886 59.018 0.071 0.000 1.726 435 C CB 0.432 28.201 27.740 0.047 0.000 2.291 435 C HN 0.694 nan 8.230 nan 0.000 0.514 436 R N 1.244 121.760 120.500 0.027 0.000 2.560 436 R HA 0.490 4.824 4.340 -0.008 0.000 0.270 436 R C 0.584 176.893 176.300 0.014 0.000 1.074 436 R CA -0.101 56.012 56.100 0.022 0.000 1.140 436 R CB -0.453 29.860 30.300 0.020 0.000 1.073 436 R HN 0.909 nan 8.270 nan 0.000 0.527 437 E N -1.268 118.941 120.200 0.016 0.000 2.210 437 E HA -0.155 4.190 4.350 -0.008 0.000 0.201 437 E C -0.538 176.068 176.600 0.011 0.000 1.339 437 E CA 0.860 57.269 56.400 0.013 0.000 0.699 437 E CB -1.943 27.763 29.700 0.009 0.000 1.126 437 E HN 0.807 nan 8.360 nan 0.000 0.355 438 V N -1.622 118.300 119.914 0.013 0.000 2.443 438 V HA 0.500 4.615 4.120 -0.008 0.000 0.293 438 V C 0.384 176.490 176.094 0.020 0.000 1.021 438 V CA -1.055 61.250 62.300 0.008 0.000 0.848 438 V CB 1.706 33.524 31.823 -0.007 0.000 0.998 438 V HN 0.182 nan 8.190 nan 0.000 0.424 439 R N 2.379 122.892 120.500 0.023 0.000 2.643 439 R HA 0.236 4.571 4.340 -0.008 0.000 0.270 439 R C -0.028 176.300 176.300 0.048 0.000 1.061 439 R CA -0.400 55.720 56.100 0.034 0.000 1.107 439 R CB 0.503 30.821 30.300 0.030 0.000 0.999 439 R HN 0.887 nan 8.270 nan 0.000 0.460 440 D N 0.252 120.687 120.400 0.058 0.000 2.399 440 D HA 0.089 4.724 4.640 -0.008 0.000 0.241 440 D C 1.114 177.465 176.300 0.085 0.000 1.133 440 D CA 1.459 55.507 54.000 0.080 0.000 0.890 440 D CB 0.884 41.714 40.800 0.049 0.000 1.201 440 D HN 0.666 nan 8.370 nan 0.000 0.432 441 G N 2.655 111.542 108.800 0.145 0.000 2.176 441 G HA2 -0.238 3.717 3.960 -0.008 0.000 0.253 441 G HA3 -0.238 3.717 3.960 -0.008 0.000 0.253 441 G C 0.101 175.090 174.900 0.149 0.000 0.979 441 G CA 0.337 45.519 45.100 0.137 0.000 0.641 441 G HN 0.564 nan 8.290 nan 0.000 0.530 442 E N 0.693 120.971 120.200 0.130 0.000 2.191 442 E HA 0.441 4.786 4.350 -0.008 0.000 0.274 442 E C -1.134 175.488 176.600 0.035 0.000 0.948 442 E CA -0.929 55.516 56.400 0.075 0.000 0.802 442 E CB 1.028 30.749 29.700 0.035 0.000 1.137 442 E HN 0.166 nan 8.360 nan 0.000 0.397 443 D N 3.758 124.180 120.400 0.037 0.000 2.371 443 D HA 0.146 4.781 4.640 -0.008 0.000 0.256 443 D C -2.121 174.138 176.300 -0.068 0.000 1.193 443 D CA -0.978 53.015 54.000 -0.011 0.000 0.881 443 D CB 0.523 41.350 40.800 0.046 0.000 1.143 443 D HN 0.103 nan 8.370 nan 0.000 0.473 444 P HA 0.284 nan 4.420 nan 0.000 0.276 444 P C -2.587 174.691 177.300 -0.037 0.000 1.261 444 P CA -1.439 61.600 63.100 -0.102 0.000 0.800 444 P CB -0.302 31.302 31.700 -0.160 0.000 1.066 445 P HA -0.029 nan 4.420 nan 0.000 0.260 445 P C 1.034 178.345 177.300 0.019 0.000 1.185 445 P CA 0.264 63.365 63.100 0.002 0.000 0.763 445 P CB 0.294 31.992 31.700 -0.002 0.000 0.776 446 L N 2.733 123.968 121.223 0.019 0.000 2.127 446 L HA -0.160 4.175 4.340 -0.008 0.000 0.211 446 L C 1.982 178.872 176.870 0.032 0.000 1.089 446 L CA 1.595 56.454 54.840 0.032 0.000 0.757 446 L CB -0.729 41.348 42.059 0.029 0.000 0.899 446 L HN 0.409 nan 8.230 nan 0.000 0.434 447 L N -1.254 119.978 121.223 0.015 0.000 2.023 447 L HA -0.144 4.191 4.340 -0.008 0.000 0.205 447 L C 2.671 179.543 176.870 0.004 0.000 1.073 447 L CA 1.189 56.030 54.840 0.002 0.000 0.745 447 L CB -1.332 40.715 42.059 -0.019 0.000 0.900 447 L HN 0.061 nan 8.230 nan 0.000 0.435 448 V N -0.097 119.833 119.914 0.027 0.000 2.343 448 V HA -0.287 3.828 4.120 -0.008 0.000 0.247 448 V C 2.804 178.993 176.094 0.158 0.000 1.051 448 V CA 1.705 64.056 62.300 0.086 0.000 1.036 448 V CB -0.495 31.439 31.823 0.186 0.000 0.654 448 V HN 0.426 nan 8.190 nan 0.000 0.451 449 R N 0.335 120.931 120.500 0.159 0.000 2.109 449 R HA -0.139 4.196 4.340 -0.008 0.000 0.227 449 R C 2.218 178.622 176.300 0.174 0.000 1.132 449 R CA 2.324 58.540 56.100 0.193 0.000 0.907 449 R CB -0.451 29.917 30.300 0.114 0.000 0.825 449 R HN 0.472 nan 8.270 nan 0.000 0.432 450 I N 0.480 121.113 120.570 0.105 0.000 2.423 450 I HA -0.170 3.995 4.170 -0.008 0.000 0.254 450 I C 2.405 178.560 176.117 0.062 0.000 1.151 450 I CA 1.194 62.547 61.300 0.089 0.000 1.421 450 I CB -0.889 37.150 38.000 0.065 0.000 1.079 450 I HN 0.503 nan 8.210 nan 0.000 0.431 451 G N 1.061 109.863 108.800 0.002 0.000 2.514 451 G HA2 -0.262 3.693 3.960 -0.008 0.000 0.217 451 G HA3 -0.262 3.693 3.960 -0.008 0.000 0.217 451 G C 1.318 176.143 174.900 -0.124 0.000 1.198 451 G CA 0.731 45.762 45.100 -0.115 0.000 0.780 451 G HN 0.438 nan 8.290 nan 0.000 0.565 452 W N 1.665 122.973 121.300 0.013 0.000 2.338 452 W HA -0.108 4.547 4.660 -0.008 0.000 0.304 452 W C 3.331 179.857 176.519 0.012 0.000 1.212 452 W CA 1.846 59.180 57.345 -0.017 0.000 1.264 452 W CB -0.421 29.023 29.460 -0.026 0.000 1.142 452 W HN 0.333 nan 8.180 nan 0.000 0.512 453 S N 1.132 116.985 115.700 0.255 0.000 2.402 453 S HA -0.286 4.179 4.470 -0.008 0.000 0.233 453 S C 1.716 176.403 174.600 0.145 0.000 1.030 453 S CA 1.682 59.990 58.200 0.180 0.000 1.003 453 S CB -1.279 62.011 63.200 0.150 0.000 0.813 453 S HN 0.515 nan 8.310 nan 0.000 0.477 454 I N -1.133 119.504 120.570 0.112 0.000 2.286 454 I HA 0.034 4.199 4.170 -0.008 0.000 0.245 454 I C 2.371 178.543 176.117 0.092 0.000 1.104 454 I CA 1.006 62.357 61.300 0.085 0.000 1.397 454 I CB -0.521 37.507 38.000 0.046 0.000 1.072 454 I HN 0.269 nan 8.210 nan 0.000 0.417 455 L N 1.200 122.482 121.223 0.098 0.000 2.042 455 L HA -0.102 4.232 4.340 -0.008 0.000 0.210 455 L C 2.428 179.384 176.870 0.143 0.000 1.076 455 L CA 1.657 56.567 54.840 0.117 0.000 0.749 455 L CB -0.689 41.458 42.059 0.146 0.000 0.893 455 L HN 0.149 nan 8.230 nan 0.000 0.432 456 V N -0.067 119.945 119.914 0.164 0.000 2.237 456 V HA -0.236 3.879 4.120 -0.008 0.000 0.245 456 V C 2.562 178.735 176.094 0.131 0.000 1.046 456 V CA 1.970 64.353 62.300 0.139 0.000 1.007 456 V CB -1.363 30.542 31.823 0.135 0.000 0.638 456 V HN 0.620 nan 8.190 nan 0.000 0.445 457 G N -0.808 108.072 108.800 0.133 0.000 2.462 457 G HA2 -0.238 3.717 3.960 -0.008 0.000 0.220 457 G HA3 -0.238 3.717 3.960 -0.008 0.000 0.220 457 G C 1.544 176.513 174.900 0.114 0.000 1.121 457 G CA 1.024 46.203 45.100 0.133 0.000 0.758 457 G HN 0.508 nan 8.290 nan 0.000 0.559 458 I N 0.558 121.192 120.570 0.107 0.000 2.233 458 I HA -0.102 4.063 4.170 -0.008 0.000 0.243 458 I C 2.600 178.782 176.117 0.108 0.000 1.093 458 I CA 0.465 61.824 61.300 0.098 0.000 1.380 458 I CB -0.098 37.959 38.000 0.096 0.000 1.067 458 I HN 0.086 nan 8.210 nan 0.000 0.413 459 I N 0.846 121.493 120.570 0.128 0.000 2.091 459 I HA -0.276 3.888 4.170 -0.008 0.000 0.239 459 I C 2.734 178.920 176.117 0.116 0.000 1.061 459 I CA 2.106 63.496 61.300 0.151 0.000 1.317 459 I CB -1.878 36.238 38.000 0.193 0.000 1.031 459 I HN 0.295 nan 8.210 nan 0.000 0.401 460 G N 1.970 110.836 108.800 0.111 0.000 2.513 460 G HA2 -0.262 3.692 3.960 -0.008 0.000 0.219 460 G HA3 -0.262 3.692 3.960 -0.008 0.000 0.219 460 G C 1.659 176.599 174.900 0.066 0.000 1.160 460 G CA 1.356 46.510 45.100 0.090 0.000 0.767 460 G HN 0.508 nan 8.290 nan 0.000 0.571 461 I N 0.130 120.741 120.570 0.068 0.000 2.252 461 I HA -0.100 4.065 4.170 -0.008 0.000 0.245 461 I C 2.617 178.756 176.117 0.036 0.000 1.102 461 I CA 0.455 61.783 61.300 0.047 0.000 1.385 461 I CB -0.802 37.225 38.000 0.045 0.000 1.064 461 I HN 0.003 nan 8.210 nan 0.000 0.414 462 V N 1.816 121.760 119.914 0.049 0.000 2.380 462 V HA -0.260 3.855 4.120 -0.008 0.000 0.251 462 V C 2.494 178.596 176.094 0.013 0.000 1.063 462 V CA 1.924 64.247 62.300 0.038 0.000 1.055 462 V CB -0.669 31.191 31.823 0.061 0.000 0.657 462 V HN 0.418 nan 8.190 nan 0.000 0.455 463 L N -1.186 120.045 121.223 0.013 0.000 2.068 463 L HA -0.078 4.257 4.340 -0.008 0.000 0.204 463 L C 2.385 179.245 176.870 -0.017 0.000 1.076 463 L CA 1.171 56.002 54.840 -0.016 0.000 0.753 463 L CB -0.560 41.488 42.059 -0.018 0.000 0.910 463 L HN 0.240 nan 8.230 nan 0.000 0.439 464 L N 0.030 121.254 121.223 0.001 0.000 2.081 464 L HA -0.250 4.085 4.340 -0.008 0.000 0.212 464 L C 2.851 179.722 176.870 0.002 0.000 1.080 464 L CA 1.222 56.065 54.840 0.006 0.000 0.754 464 L CB -0.671 41.399 42.059 0.019 0.000 0.893 464 L HN 0.283 nan 8.230 nan 0.000 0.433 465 A N 0.038 122.858 122.820 0.000 0.000 1.841 465 A HA -0.157 4.158 4.320 -0.008 0.000 0.214 465 A C 2.170 179.745 177.584 -0.015 0.000 1.195 465 A CA 1.277 53.311 52.037 -0.004 0.000 0.611 465 A CB -0.801 18.200 19.000 0.002 0.000 0.835 465 A HN 0.337 nan 8.150 nan 0.000 0.443 466 L N -0.592 120.617 121.223 -0.024 0.000 2.261 466 L HA -0.008 4.327 4.340 -0.008 0.000 0.216 466 L C 1.359 178.202 176.870 -0.045 0.000 1.114 466 L CA 0.476 55.291 54.840 -0.041 0.000 0.777 466 L CB -1.214 40.811 42.059 -0.057 0.000 0.910 466 L HN 0.694 nan 8.230 nan 0.000 0.440 467 G N -0.597 108.182 108.800 -0.036 0.000 2.825 467 G HA2 0.172 4.127 3.960 -0.008 0.000 0.686 467 G HA3 0.172 4.127 3.960 -0.008 0.000 0.686 467 G C 0.192 175.059 174.900 -0.054 0.000 1.362 467 G CA -0.223 44.858 45.100 -0.031 0.000 0.975 467 G HN 0.817 nan 8.290 nan 0.000 0.594 468 G N -0.223 108.550 108.800 -0.045 0.000 2.655 468 G HA2 0.154 4.109 3.960 -0.008 0.000 0.680 468 G HA3 0.154 4.109 3.960 -0.008 0.000 0.680 468 G C 0.700 175.544 174.900 -0.094 0.000 1.302 468 G CA 0.098 45.157 45.100 -0.069 0.000 0.872 468 G HN 1.585 nan 8.290 nan 0.000 0.540 469 L N -0.086 121.058 121.223 -0.131 0.000 2.408 469 L HA 0.145 4.480 4.340 -0.008 0.000 0.215 469 L C 2.882 179.559 176.870 -0.321 0.000 1.081 469 L CA 0.596 55.338 54.840 -0.163 0.000 0.840 469 L CB -0.385 41.614 42.059 -0.101 0.000 1.002 469 L HN 0.493 nan 8.230 nan 0.000 0.468 470 K N 0.619 120.792 120.400 -0.379 0.000 2.144 470 K HA -0.194 4.121 4.320 -0.008 0.000 0.209 470 K C -0.422 175.946 176.600 -0.387 0.000 1.047 470 K CA 1.811 57.800 56.287 -0.498 0.000 0.927 470 K CB -1.330 30.912 32.500 -0.430 0.000 0.716 470 K HN 0.263 nan 8.250 nan 0.000 0.454 471 P HA -0.094 nan 4.420 nan 0.000 0.213 471 P C 1.706 178.868 177.300 -0.229 0.000 1.170 471 P CA 0.976 63.949 63.100 -0.210 0.000 0.893 471 P CB -0.057 31.553 31.700 -0.149 0.000 0.784 472 I N -0.066 120.376 120.570 -0.214 0.000 2.093 472 I HA -0.400 3.765 4.170 -0.008 0.000 0.239 472 I C 2.659 178.581 176.117 -0.324 0.000 1.026 472 I CA 2.317 63.489 61.300 -0.213 0.000 1.295 472 I CB -1.025 36.892 38.000 -0.139 0.000 1.007 472 I HN 0.142 nan 8.210 nan 0.000 0.401 473 Q N -0.038 119.441 119.800 -0.535 0.000 2.119 473 Q HA -0.141 4.194 4.340 -0.008 0.000 0.201 473 Q C 1.927 177.738 176.000 -0.315 0.000 0.972 473 Q CA 1.991 57.333 55.803 -0.769 0.000 0.847 473 Q CB -0.725 27.089 28.738 -1.540 0.000 0.903 473 Q HN 0.440 nan 8.270 nan 0.000 0.433 474 T N 1.741 116.146 114.554 -0.248 0.000 2.708 474 T HA -0.123 4.221 4.350 -0.008 0.000 0.266 474 T C 2.122 176.738 174.700 -0.140 0.000 1.037 474 T CA 1.409 63.457 62.100 -0.085 0.000 1.146 474 T CB -0.556 68.261 68.868 -0.086 0.000 0.865 474 T HN 0.517 nan 8.240 nan 0.000 0.435 475 A N 1.521 124.212 122.820 -0.215 0.000 1.870 475 A HA -0.205 4.110 4.320 -0.008 0.000 0.219 475 A C 2.306 179.789 177.584 -0.168 0.000 1.224 475 A CA 2.014 53.896 52.037 -0.258 0.000 0.650 475 A CB -1.152 17.717 19.000 -0.218 0.000 0.836 475 A HN 0.496 nan 8.150 nan 0.000 0.454 476 I N -0.592 119.879 120.570 -0.165 0.000 2.076 476 I HA -0.275 3.890 4.170 -0.008 0.000 0.237 476 I C 2.426 178.524 176.117 -0.032 0.000 1.059 476 I CA 1.721 62.940 61.300 -0.135 0.000 1.317 476 I CB -0.305 37.557 38.000 -0.231 0.000 1.037 476 I HN 0.375 nan 8.210 nan 0.000 0.398 477 I N 0.511 121.077 120.570 -0.007 0.000 2.185 477 I HA -0.394 3.771 4.170 -0.008 0.000 0.246 477 I C 2.707 178.815 176.117 -0.015 0.000 1.088 477 I CA 1.549 62.822 61.300 -0.043 0.000 1.347 477 I CB -0.525 37.459 38.000 -0.026 0.000 1.041 477 I HN 0.289 nan 8.210 nan 0.000 0.415 478 A N 0.874 123.686 122.820 -0.014 0.000 1.865 478 A HA -0.163 4.151 4.320 -0.008 0.000 0.217 478 A C 2.458 180.073 177.584 0.051 0.000 1.191 478 A CA 2.040 54.079 52.037 0.004 0.000 0.623 478 A CB -1.574 17.389 19.000 -0.061 0.000 0.826 478 A HN 0.462 nan 8.150 nan 0.000 0.444 479 G N -0.489 108.345 108.800 0.056 0.000 2.553 479 G HA2 -0.125 3.830 3.960 -0.008 0.000 0.218 479 G HA3 -0.125 3.830 3.960 -0.008 0.000 0.218 479 G C 1.627 176.586 174.900 0.097 0.000 1.195 479 G CA 1.484 46.645 45.100 0.102 0.000 0.779 479 G HN 0.947 nan 8.290 nan 0.000 0.577 480 G N -0.252 108.620 108.800 0.121 0.000 2.532 480 G HA2 -0.270 3.685 3.960 -0.008 0.000 0.222 480 G HA3 -0.270 3.685 3.960 -0.008 0.000 0.222 480 G C 1.783 176.878 174.900 0.326 0.000 1.102 480 G CA 1.370 46.613 45.100 0.237 0.000 0.742 480 G HN 0.511 nan 8.290 nan 0.000 0.577 481 C N 0.833 120.274 119.300 0.235 0.000 2.462 481 C HA 0.013 4.468 4.460 -0.008 0.000 0.278 481 C C 0.794 175.869 174.990 0.142 0.000 1.253 481 C CA 1.194 60.308 59.018 0.160 0.000 1.713 481 C CB -0.981 26.793 27.740 0.056 0.000 2.049 481 C HN 0.363 nan 8.230 nan 0.000 0.477 482 P HA -0.062 nan 4.420 nan 0.000 0.215 482 P C 1.637 179.050 177.300 0.187 0.000 1.157 482 P CA 1.124 64.213 63.100 -0.017 0.000 0.863 482 P CB -0.267 31.272 31.700 -0.269 0.000 0.787 483 L N -1.883 119.415 121.223 0.125 0.000 2.187 483 L HA -0.171 4.164 4.340 -0.008 0.000 0.213 483 L C 2.271 179.199 176.870 0.096 0.000 1.100 483 L CA 1.669 56.575 54.840 0.110 0.000 0.765 483 L CB -1.605 40.476 42.059 0.037 0.000 0.904 483 L HN 0.005 nan 8.230 nan 0.000 0.437 484 F N 0.995 120.875 119.950 -0.118 0.000 2.063 484 F HA -0.322 4.199 4.527 -0.009 0.000 0.298 484 F C 2.217 177.867 175.800 -0.251 0.000 1.109 484 F CA 1.986 59.747 58.000 -0.399 0.000 1.212 484 F CB -0.369 38.184 39.000 -0.745 0.000 0.973 484 F HN -0.042 nan 8.300 nan 0.000 0.480 485 F N -1.098 118.950 119.950 0.163 0.000 2.416 485 F HA -0.026 4.496 4.527 -0.009 0.000 0.296 485 F C 2.125 177.975 175.800 0.083 0.000 1.099 485 F CA 0.617 58.683 58.000 0.111 0.000 1.427 485 F CB -0.997 38.075 39.000 0.121 0.000 1.079 485 F HN -0.225 nan 8.300 nan 0.000 0.536 486 V N 0.788 120.876 119.914 0.290 0.000 2.233 486 V HA -0.346 3.769 4.120 -0.008 0.000 0.247 486 V C 2.081 178.316 176.094 0.236 0.000 1.050 486 V CA 2.290 64.742 62.300 0.254 0.000 1.010 486 V CB -0.811 31.186 31.823 0.290 0.000 0.637 486 V HN 0.279 nan 8.190 nan 0.000 0.444 487 N N 0.339 119.166 118.700 0.211 0.000 2.021 487 N HA -0.187 4.548 4.740 -0.008 0.000 0.198 487 N C 1.688 177.306 175.510 0.182 0.000 1.041 487 N CA 1.966 55.150 53.050 0.224 0.000 0.862 487 N CB -0.587 38.045 38.487 0.242 0.000 1.048 487 N HN 0.462 nan 8.380 nan 0.000 0.427 488 I N 0.371 121.004 120.570 0.105 0.000 2.194 488 I HA -0.321 3.844 4.170 -0.008 0.000 0.246 488 I C 2.212 178.399 176.117 0.117 0.000 1.093 488 I CA 1.109 62.436 61.300 0.044 0.000 1.355 488 I CB -0.217 37.747 38.000 -0.060 0.000 1.046 488 I HN 0.195 nan 8.210 nan 0.000 0.413 489 M N -0.189 119.511 119.600 0.168 0.000 2.059 489 M HA -0.196 4.279 4.480 -0.008 0.000 0.259 489 M C 2.481 178.894 176.300 0.189 0.000 1.072 489 M CA 1.733 57.148 55.300 0.190 0.000 1.117 489 M CB -0.413 32.322 32.600 0.224 0.000 1.320 489 M HN 0.059 nan 8.290 nan 0.000 0.408 490 V N 0.327 120.358 119.914 0.194 0.000 2.277 490 V HA -0.357 3.758 4.120 -0.008 0.000 0.253 490 V C 2.326 178.539 176.094 0.198 0.000 1.067 490 V CA 2.538 64.947 62.300 0.181 0.000 1.047 490 V CB -1.247 30.666 31.823 0.150 0.000 0.649 490 V HN 0.559 nan 8.190 nan 0.000 0.447 491 T N -0.097 114.575 114.554 0.198 0.000 2.684 491 T HA -0.155 4.189 4.350 -0.008 0.000 0.267 491 T C 1.853 176.743 174.700 0.316 0.000 1.036 491 T CA 1.710 63.978 62.100 0.280 0.000 1.148 491 T CB -0.303 68.722 68.868 0.260 0.000 0.863 491 T HN 0.305 nan 8.240 nan 0.000 0.436 492 L N 0.585 121.929 121.223 0.201 0.000 2.056 492 L HA -0.088 4.247 4.340 -0.008 0.000 0.207 492 L C 2.844 179.806 176.870 0.154 0.000 1.078 492 L CA 1.038 55.966 54.840 0.147 0.000 0.749 492 L CB -0.528 41.594 42.059 0.106 0.000 0.901 492 L HN 0.260 nan 8.230 nan 0.000 0.433 493 S N 0.018 115.835 115.700 0.195 0.000 2.359 493 S HA -0.299 4.166 4.470 -0.008 0.000 0.222 493 S C 2.056 176.835 174.600 0.297 0.000 1.038 493 S CA 1.816 60.150 58.200 0.223 0.000 1.051 493 S CB -0.508 62.836 63.200 0.240 0.000 0.944 493 S HN 0.445 nan 8.310 nan 0.000 0.433 494 F N 1.737 121.813 119.950 0.209 0.000 2.184 494 F HA -0.098 4.423 4.527 -0.009 0.000 0.301 494 F C 1.715 177.473 175.800 -0.070 0.000 1.076 494 F CA 1.562 59.528 58.000 -0.058 0.000 1.295 494 F CB -0.298 38.430 39.000 -0.453 0.000 1.026 494 F HN 0.285 nan 8.300 nan 0.000 0.494 495 I N 0.010 120.476 120.570 -0.173 0.000 2.339 495 I HA -0.210 3.955 4.170 -0.008 0.000 0.245 495 I C 2.571 178.606 176.117 -0.137 0.000 1.096 495 I CA 0.991 62.144 61.300 -0.245 0.000 1.408 495 I CB -0.623 37.363 38.000 -0.023 0.000 1.092 495 I HN 0.038 nan 8.210 nan 0.000 0.423 496 K N 0.809 121.193 120.400 -0.027 0.000 2.103 496 K HA -0.282 4.033 4.320 -0.008 0.000 0.207 496 K C 1.693 178.302 176.600 0.015 0.000 1.048 496 K CA 1.839 58.133 56.287 0.011 0.000 0.930 496 K CB -0.219 32.305 32.500 0.039 0.000 0.716 496 K HN 0.298 nan 8.250 nan 0.000 0.444 497 D N -0.655 119.756 120.400 0.018 0.000 2.355 497 D HA -0.011 4.624 4.640 -0.008 0.000 0.218 497 D C 1.071 177.408 176.300 0.061 0.000 1.004 497 D CA 0.492 54.543 54.000 0.086 0.000 0.880 497 D CB 0.435 41.367 40.800 0.220 0.000 0.911 497 D HN 0.279 nan 8.370 nan 0.000 0.528 498 A N 0.310 123.036 122.820 -0.156 0.000 2.197 498 A HA 0.085 4.400 4.320 -0.008 0.000 0.210 498 A C 2.081 179.730 177.584 0.107 0.000 1.180 498 A CA 0.084 52.048 52.037 -0.120 0.000 0.846 498 A CB -0.068 18.636 19.000 -0.493 0.000 0.884 498 A HN 0.057 nan 8.150 nan 0.000 0.487 499 K N -0.273 120.184 120.400 0.096 0.000 2.209 499 K HA -0.138 4.177 4.320 -0.008 0.000 0.204 499 K C 1.873 178.543 176.600 0.117 0.000 1.048 499 K CA 1.694 58.066 56.287 0.142 0.000 0.940 499 K CB -0.039 32.518 32.500 0.095 0.000 0.729 499 K HN 0.626 nan 8.250 nan 0.000 0.451 500 Q N -1.326 118.533 119.800 0.099 0.000 2.423 500 Q HA 0.065 4.400 4.340 -0.008 0.000 0.231 500 Q C 1.171 177.231 176.000 0.100 0.000 0.894 500 Q CA 0.432 56.287 55.803 0.088 0.000 0.938 500 Q CB 0.520 29.300 28.738 0.070 0.000 1.079 500 Q HN 0.239 nan 8.270 nan 0.000 0.552 501 N N -0.416 118.362 118.700 0.130 0.000 2.436 501 N HA -0.080 4.655 4.740 -0.008 0.000 0.178 501 N C 0.980 176.611 175.510 0.201 0.000 1.026 501 N CA 0.403 53.535 53.050 0.137 0.000 0.880 501 N CB -0.217 38.341 38.487 0.119 0.000 1.061 501 N HN 0.178 nan 8.380 nan 0.000 0.434 502 W N 2.269 123.598 121.300 0.048 0.000 2.348 502 W HA 0.034 4.688 4.660 -0.009 0.000 0.324 502 W C 0.514 176.982 176.519 -0.084 0.000 1.209 502 W CA 1.069 58.397 57.345 -0.028 0.000 1.275 502 W CB -0.568 28.753 29.460 -0.232 0.000 1.175 502 W HN -0.024 nan 8.180 nan 0.000 0.461 503 K N 0.000 120.463 120.400 0.105 0.000 2.780 503 K HA 0.000 4.315 4.320 -0.008 0.000 0.191 503 K CA 0.000 56.299 56.287 0.021 0.000 0.838 503 K CB 0.000 32.536 32.500 0.061 0.000 1.064 503 K HN 0.000 nan 8.250 nan 0.000 0.543