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 3d4g_1_G DATA FIRST_RESID 3 DATA SEQUENCE TEEGKLVIWI NGDKGYNGLA EVGKKFEKDT GIKVTVEHPD KLEEKFPQVA DATA SEQUENCE ATGDGPDIIF WAHDRFGGYA QSGLLAEITP DKAFQDKLYP FTWDAVRYNG DATA SEQUENCE KLIAYPIAVE ALSLIYNKDL LPNPPKTWEE IPALDKELKA KGKSALMFNL DATA SEQUENCE QEPYFTWPLI AADGGYAFKY ENGKYDIKDV GVDNAGAKAG LTFLVDLIKN DATA SEQUENCE KHMNADTDYS IAEAAFNKGE TAMTINGPWA WSNIDTSKVN YGVTVLPTFK DATA SEQUENCE GQPSKPFVGV LSAGINAASP NKELAKEFLE NYLLTDEGLE AVNKDKPLGA DATA SEQUENCE VALKSYEEEL AKDPRIAATM ENAQKGEIMP NIPQMSAFWY AVRTAVINAA DATA SEQUENCE SGRQTVDAAL AAAQTNAAAV KVEcLEAELV VTVSRDLFGT GKLVQPGDLT DATA SEQUENCE LGSEGcQPRV SVDTDVVRFN AQLHEcSSRV QMTKDALVYS TFLLHDPRPV DATA SEQUENCE SGLSILRTNR VEVPIEcRYP RL 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.674 174.700 -0.044 0.000 1.109 3 T CA 0.000 62.065 62.100 -0.059 0.000 1.349 3 T CB 0.000 68.824 68.868 -0.074 0.000 0.612 4 E N 0.585 120.765 120.200 -0.034 0.000 2.320 4 E HA 0.695 5.045 4.350 0.001 0.000 0.264 4 E C -0.666 175.921 176.600 -0.021 0.000 0.923 4 E CA -0.957 55.429 56.400 -0.024 0.000 0.796 4 E CB 1.959 31.648 29.700 -0.018 0.000 1.262 4 E HN 0.656 nan 8.360 nan 0.000 0.428 5 E N -0.206 119.985 120.200 -0.015 0.000 2.319 5 E HA 0.390 4.740 4.350 0.001 0.000 0.268 5 E C 0.292 176.891 176.600 -0.003 0.000 1.050 5 E CA 0.267 56.661 56.400 -0.009 0.000 0.878 5 E CB 0.756 30.452 29.700 -0.006 0.000 1.066 5 E HN 0.829 nan 8.360 nan 0.000 0.406 6 G N 2.974 111.777 108.800 0.004 0.000 2.141 6 G HA2 -0.262 3.698 3.960 0.001 0.000 0.242 6 G HA3 -0.262 3.698 3.960 0.001 0.000 0.242 6 G C -0.211 174.698 174.900 0.015 0.000 0.982 6 G CA 0.661 45.767 45.100 0.010 0.000 0.662 6 G HN 0.680 nan 8.290 nan 0.000 0.527 7 K N -1.344 119.062 120.400 0.010 0.000 2.571 7 K HA 0.820 5.140 4.320 0.001 0.000 0.289 7 K C -1.452 175.133 176.600 -0.025 0.000 1.028 7 K CA -1.335 54.955 56.287 0.006 0.000 0.895 7 K CB 1.154 33.652 32.500 -0.003 0.000 1.534 7 K HN 0.254 nan 8.250 nan 0.000 0.421 8 L N 1.756 122.941 121.223 -0.063 0.000 2.376 8 L HA 0.481 4.822 4.340 0.001 0.000 0.275 8 L C -1.133 175.664 176.870 -0.121 0.000 0.987 8 L CA -1.258 53.502 54.840 -0.134 0.000 0.828 8 L CB 2.195 44.081 42.059 -0.289 0.000 1.249 8 L HN 0.396 nan 8.230 nan 0.000 0.409 9 V N 4.803 124.662 119.914 -0.092 0.000 2.398 9 V HA 0.501 4.622 4.120 0.001 0.000 0.286 9 V C 0.018 176.087 176.094 -0.040 0.000 1.026 9 V CA -0.323 61.951 62.300 -0.044 0.000 0.868 9 V CB 1.983 33.792 31.823 -0.024 0.000 0.982 9 V HN 0.501 nan 8.190 nan 0.000 0.443 10 I N 3.595 124.201 120.570 0.060 0.000 2.465 10 I HA 0.440 4.610 4.170 0.001 0.000 0.291 10 I C -1.139 175.218 176.117 0.400 0.000 1.014 10 I CA -0.435 60.962 61.300 0.162 0.000 1.093 10 I CB 2.158 40.235 38.000 0.128 0.000 1.267 10 I HN 0.510 nan 8.210 nan 0.000 0.431 11 W N 7.149 128.531 121.300 0.137 0.000 2.478 11 W HA 0.706 5.367 4.660 0.001 0.000 0.318 11 W C -0.333 176.319 176.519 0.222 0.000 1.062 11 W CA -0.988 56.431 57.345 0.124 0.000 1.210 11 W CB 1.258 30.772 29.460 0.090 0.000 1.325 11 W HN 0.220 nan 8.180 nan 0.000 0.496 12 I N 3.063 123.827 120.570 0.322 0.000 2.827 12 I HA 0.281 4.451 4.170 0.001 0.000 0.298 12 I C -0.390 175.821 176.117 0.156 0.000 1.235 12 I CA -0.851 60.587 61.300 0.229 0.000 1.021 12 I CB 1.773 39.743 38.000 -0.049 0.000 1.259 12 I HN 0.256 nan 8.210 nan 0.000 0.427 13 N N 3.365 122.142 118.700 0.128 0.000 2.479 13 N HA 0.196 4.936 4.740 0.001 0.000 0.257 13 N C 1.034 176.532 175.510 -0.020 0.000 1.232 13 N CA 1.110 54.188 53.050 0.047 0.000 0.920 13 N CB 1.561 39.944 38.487 -0.173 0.000 1.105 13 N HN 0.747 nan 8.380 nan 0.000 0.444 14 G N 0.966 109.744 108.800 -0.036 0.000 2.498 14 G HA2 -0.234 3.726 3.960 0.001 0.000 0.219 14 G HA3 -0.234 3.726 3.960 0.001 0.000 0.219 14 G C 0.696 175.589 174.900 -0.010 0.000 1.119 14 G CA 0.934 45.998 45.100 -0.060 0.000 0.766 14 G HN 0.825 nan 8.290 nan 0.000 0.552 15 D N -0.427 119.863 120.400 -0.182 0.000 2.340 15 D HA 0.065 4.705 4.640 0.001 0.000 0.220 15 D C 0.834 177.009 176.300 -0.208 0.000 1.039 15 D CA 0.188 54.034 54.000 -0.257 0.000 0.866 15 D CB 0.195 40.651 40.800 -0.574 0.000 0.913 15 D HN 0.004 nan 8.370 nan 0.000 0.523 16 K N 0.157 120.467 120.400 -0.150 0.000 2.132 16 K HA 0.521 4.841 4.320 0.001 0.000 0.241 16 K C 0.835 177.372 176.600 -0.106 0.000 1.000 16 K CA -0.765 55.458 56.287 -0.107 0.000 0.911 16 K CB 0.914 33.338 32.500 -0.125 0.000 1.093 16 K HN 0.020 nan 8.250 nan 0.000 0.460 17 G N 1.905 110.640 108.800 -0.109 0.000 3.102 17 G HA2 0.060 4.021 3.960 0.001 0.000 0.264 17 G HA3 0.060 4.021 3.960 0.001 0.000 0.264 17 G C 0.700 175.499 174.900 -0.170 0.000 0.788 17 G CA -0.071 44.925 45.100 -0.173 0.000 2.029 17 G HN 0.598 nan 8.290 nan 0.000 0.608 18 Y N -0.499 119.734 120.300 -0.112 0.000 2.395 18 Y HA 0.020 4.570 4.550 0.001 0.000 0.293 18 Y C 2.015 177.889 175.900 -0.044 0.000 1.123 18 Y CA 0.687 58.727 58.100 -0.100 0.000 1.227 18 Y CB -0.485 37.910 38.460 -0.109 0.000 1.012 18 Y HN 0.362 nan 8.280 nan 0.000 0.552 19 N N 0.749 119.345 118.700 -0.174 0.000 2.142 19 N HA -0.059 4.681 4.740 0.001 0.000 0.186 19 N C 2.189 177.694 175.510 -0.008 0.000 1.023 19 N CA 1.146 54.175 53.050 -0.036 0.000 0.852 19 N CB -0.467 37.944 38.487 -0.127 0.000 0.998 19 N HN 0.542 nan 8.380 nan 0.000 0.424 20 G N 1.117 109.887 108.800 -0.049 0.000 2.418 20 G HA2 -0.210 3.750 3.960 0.001 0.000 0.217 20 G HA3 -0.210 3.750 3.960 0.001 0.000 0.217 20 G C 1.432 176.347 174.900 0.026 0.000 1.158 20 G CA 0.366 45.461 45.100 -0.009 0.000 0.771 20 G HN 0.144 nan 8.290 nan 0.000 0.545 21 L N 1.401 122.635 121.223 0.020 0.000 2.083 21 L HA 0.123 4.464 4.340 0.001 0.000 0.209 21 L C 3.033 179.983 176.870 0.133 0.000 1.083 21 L CA 1.990 56.867 54.840 0.062 0.000 0.752 21 L CB -0.619 41.427 42.059 -0.022 0.000 0.899 21 L HN 0.238 nan 8.230 nan 0.000 0.433 22 A N -1.018 121.867 122.820 0.110 0.000 1.972 22 A HA -0.214 4.107 4.320 0.001 0.000 0.219 22 A C 2.163 179.819 177.584 0.120 0.000 1.169 22 A CA 1.706 53.812 52.037 0.116 0.000 0.635 22 A CB -0.533 18.538 19.000 0.118 0.000 0.810 22 A HN 0.597 nan 8.150 nan 0.000 0.446 23 E N -0.385 119.877 120.200 0.103 0.000 2.072 23 E HA -0.112 4.238 4.350 0.001 0.000 0.191 23 E C 1.904 178.590 176.600 0.143 0.000 0.985 23 E CA 1.253 57.714 56.400 0.102 0.000 0.801 23 E CB -0.217 29.525 29.700 0.070 0.000 0.750 23 E HN 0.411 nan 8.360 nan 0.000 0.452 24 V N 0.657 120.670 119.914 0.165 0.000 2.490 24 V HA -0.171 3.950 4.120 0.001 0.000 0.250 24 V C 2.269 178.597 176.094 0.390 0.000 1.061 24 V CA 1.858 64.295 62.300 0.228 0.000 1.064 24 V CB -0.782 31.127 31.823 0.144 0.000 0.670 24 V HN 0.400 nan 8.190 nan 0.000 0.461 25 G N -0.497 108.527 108.800 0.372 0.000 2.421 25 G HA2 -0.154 3.807 3.960 0.001 0.000 0.217 25 G HA3 -0.154 3.807 3.960 0.001 0.000 0.217 25 G C 1.663 176.702 174.900 0.232 0.000 1.143 25 G CA 0.290 45.570 45.100 0.300 0.000 0.784 25 G HN 0.370 nan 8.290 nan 0.000 0.541 26 K N 0.545 121.054 120.400 0.181 0.000 2.057 26 K HA -0.061 4.259 4.320 0.001 0.000 0.207 26 K C 2.343 179.035 176.600 0.154 0.000 1.049 26 K CA 1.200 57.570 56.287 0.138 0.000 0.931 26 K CB -0.207 32.358 32.500 0.108 0.000 0.714 26 K HN 0.353 nan 8.250 nan 0.000 0.440 27 K N 0.303 120.825 120.400 0.202 0.000 2.057 27 K HA -0.146 4.174 4.320 0.001 0.000 0.207 27 K C 2.090 178.843 176.600 0.255 0.000 1.049 27 K CA 1.004 57.430 56.287 0.233 0.000 0.931 27 K CB -0.254 32.417 32.500 0.285 0.000 0.714 27 K HN -0.041 nan 8.250 nan 0.000 0.440 28 F N 2.257 122.239 119.950 0.053 0.000 2.126 28 F HA -0.200 4.327 4.527 0.001 0.000 0.299 28 F C 2.231 177.959 175.800 -0.120 0.000 1.096 28 F CA 2.072 59.913 58.000 -0.265 0.000 1.255 28 F CB -0.190 38.689 39.000 -0.202 0.000 0.997 28 F HN 0.214 nan 8.300 nan 0.000 0.479 29 E N 0.175 120.407 120.200 0.054 0.000 2.106 29 E HA -0.269 4.081 4.350 0.001 0.000 0.192 29 E C 2.342 178.910 176.600 -0.054 0.000 0.984 29 E CA 1.215 57.602 56.400 -0.021 0.000 0.806 29 E CB -0.216 29.515 29.700 0.051 0.000 0.750 29 E HN 0.438 nan 8.360 nan 0.000 0.458 30 K N 0.262 120.661 120.400 -0.001 0.000 2.026 30 K HA -0.191 4.129 4.320 0.001 0.000 0.208 30 K C 1.433 178.021 176.600 -0.020 0.000 1.048 30 K CA 2.025 58.317 56.287 0.008 0.000 0.929 30 K CB 0.042 32.572 32.500 0.049 0.000 0.713 30 K HN 0.071 nan 8.250 nan 0.000 0.439 31 D N -0.765 119.617 120.400 -0.029 0.000 2.162 31 D HA -0.061 4.580 4.640 0.001 0.000 0.203 31 D C 1.486 177.710 176.300 -0.127 0.000 0.967 31 D CA 1.309 55.292 54.000 -0.028 0.000 0.840 31 D CB 0.017 40.876 40.800 0.098 0.000 0.972 31 D HN 0.249 nan 8.370 nan 0.000 0.482 32 T N -1.858 112.521 114.554 -0.291 0.000 3.000 32 T HA 0.335 4.685 4.350 0.001 0.000 0.248 32 T C 1.542 176.109 174.700 -0.221 0.000 1.034 32 T CA 0.604 62.495 62.100 -0.348 0.000 1.060 32 T CB 1.060 69.466 68.868 -0.769 0.000 0.983 32 T HN 0.244 nan 8.240 nan 0.000 0.482 33 G N 1.462 110.155 108.800 -0.178 0.000 2.176 33 G HA2 -0.205 3.755 3.960 0.001 0.000 0.253 33 G HA3 -0.205 3.755 3.960 0.001 0.000 0.253 33 G C -0.049 174.810 174.900 -0.069 0.000 0.979 33 G CA -0.342 44.702 45.100 -0.092 0.000 0.641 33 G HN 0.460 nan 8.290 nan 0.000 0.530 34 I N 1.614 122.125 120.570 -0.098 0.000 2.325 34 I HA 0.371 4.541 4.170 0.001 0.000 0.291 34 I C 0.714 176.873 176.117 0.070 0.000 1.019 34 I CA -0.703 60.600 61.300 0.005 0.000 1.302 34 I CB 1.482 39.531 38.000 0.082 0.000 1.401 34 I HN 0.183 nan 8.210 nan 0.000 0.485 35 K N 5.249 125.676 120.400 0.046 0.000 2.326 35 K HA 0.462 4.782 4.320 0.001 0.000 0.275 35 K C -1.136 175.481 176.600 0.028 0.000 1.018 35 K CA -0.279 56.033 56.287 0.042 0.000 0.962 35 K CB 0.702 33.214 32.500 0.020 0.000 0.953 35 K HN 0.405 nan 8.250 nan 0.000 0.475 36 V N 3.693 123.613 119.914 0.009 0.000 2.407 36 V HA 0.210 4.331 4.120 0.001 0.000 0.291 36 V C -0.681 175.384 176.094 -0.049 0.000 1.018 36 V CA -0.786 61.462 62.300 -0.086 0.000 0.842 36 V CB 1.752 33.458 31.823 -0.194 0.000 0.996 36 V HN 0.835 nan 8.190 nan 0.000 0.426 37 T N 4.665 119.192 114.554 -0.045 0.000 2.770 37 T HA 0.449 4.799 4.350 0.001 0.000 0.297 37 T C -0.162 174.552 174.700 0.023 0.000 0.997 37 T CA -0.294 61.808 62.100 0.003 0.000 0.949 37 T CB 1.259 70.138 68.868 0.017 0.000 0.941 37 T HN 0.325 nan 8.240 nan 0.000 0.457 38 V N 4.804 124.744 119.914 0.043 0.000 2.406 38 V HA 0.371 4.491 4.120 0.001 0.000 0.272 38 V C 0.271 176.411 176.094 0.077 0.000 1.043 38 V CA -0.496 61.850 62.300 0.078 0.000 0.915 38 V CB 0.963 32.840 31.823 0.091 0.000 0.988 38 V HN 0.824 nan 8.190 nan 0.000 0.466 39 E N 3.519 123.774 120.200 0.093 0.000 2.312 39 E HA 0.500 4.850 4.350 0.001 0.000 0.267 39 E C -0.891 175.618 176.600 -0.151 0.000 0.894 39 E CA -0.727 55.628 56.400 -0.074 0.000 0.773 39 E CB 2.045 31.705 29.700 -0.067 0.000 1.241 39 E HN 0.888 nan 8.360 nan 0.000 0.432 40 H N 0.024 118.869 119.070 -0.376 0.000 2.386 40 H HA 0.320 4.876 4.556 0.001 0.000 0.232 40 H C -2.651 172.438 175.328 -0.398 0.000 1.416 40 H CA -2.212 53.601 56.048 -0.392 0.000 1.285 40 H CB -0.356 29.083 29.762 -0.539 0.000 1.625 40 H HN 0.232 nan 8.280 nan 0.000 0.521 41 P HA 0.033 nan 4.420 nan 0.000 0.272 41 P C 0.148 177.241 177.300 -0.346 0.000 1.223 41 P CA -0.081 62.679 63.100 -0.566 0.000 0.784 41 P CB 1.385 32.544 31.700 -0.901 0.000 0.923 42 D N 1.875 122.129 120.400 -0.243 0.000 2.372 42 D HA 0.009 4.650 4.640 0.001 0.000 0.243 42 D C 0.374 176.582 176.300 -0.152 0.000 1.121 42 D CA 0.250 54.165 54.000 -0.140 0.000 0.898 42 D CB 0.232 40.976 40.800 -0.094 0.000 1.202 42 D HN 0.225 nan 8.370 nan 0.000 0.428 43 K N 2.097 122.433 120.400 -0.106 0.000 3.071 43 K HA -0.188 4.132 4.320 0.001 0.000 0.265 43 K C 1.130 177.622 176.600 -0.180 0.000 1.060 43 K CA 0.736 56.945 56.287 -0.130 0.000 0.767 43 K CB -2.083 30.355 32.500 -0.103 0.000 1.241 43 K HN 0.530 nan 8.250 nan 0.000 0.486 44 L N -0.411 120.692 121.223 -0.200 0.000 2.201 44 L HA -0.089 4.252 4.340 0.001 0.000 0.212 44 L C 2.287 179.086 176.870 -0.118 0.000 1.105 44 L CA 2.008 56.755 54.840 -0.155 0.000 0.775 44 L CB -0.409 41.591 42.059 -0.097 0.000 0.913 44 L HN 0.272 nan 8.230 nan 0.000 0.440 45 E N 1.026 120.922 120.200 -0.507 0.000 2.204 45 E HA -0.245 4.105 4.350 0.001 0.000 0.194 45 E C 1.560 178.027 176.600 -0.222 0.000 0.989 45 E CA 1.717 57.732 56.400 -0.642 0.000 0.824 45 E CB -0.397 28.358 29.700 -1.576 0.000 0.756 45 E HN 0.824 nan 8.360 nan 0.000 0.477 46 E N 0.749 120.839 120.200 -0.184 0.000 2.140 46 E HA 0.027 4.377 4.350 0.001 0.000 0.191 46 E C 2.087 178.673 176.600 -0.022 0.000 0.973 46 E CA 0.346 56.698 56.400 -0.079 0.000 0.829 46 E CB 0.123 29.767 29.700 -0.094 0.000 0.781 46 E HN 0.213 nan 8.360 nan 0.000 0.466 47 K N 0.540 120.945 120.400 0.008 0.000 2.062 47 K HA -0.097 4.224 4.320 0.001 0.000 0.205 47 K C 1.945 178.640 176.600 0.160 0.000 1.051 47 K CA 0.833 57.171 56.287 0.085 0.000 0.941 47 K CB -0.194 32.356 32.500 0.083 0.000 0.719 47 K HN 0.016 nan 8.250 nan 0.000 0.440 48 F N 3.404 123.405 119.950 0.085 0.000 2.043 48 F HA -0.197 4.331 4.527 0.001 0.000 0.297 48 F C -1.135 174.492 175.800 -0.289 0.000 1.118 48 F CA 1.464 59.378 58.000 -0.144 0.000 1.202 48 F CB -1.061 37.707 39.000 -0.387 0.000 0.965 48 F HN -0.010 nan 8.300 nan 0.000 0.482 49 P HA -0.193 nan 4.420 nan 0.000 0.220 49 P C 1.192 178.305 177.300 -0.311 0.000 1.148 49 P CA 1.820 64.671 63.100 -0.415 0.000 0.803 49 P CB -0.262 31.387 31.700 -0.084 0.000 0.782 50 Q N -0.057 119.623 119.800 -0.200 0.000 2.046 50 Q HA -0.087 4.254 4.340 0.001 0.000 0.200 50 Q C 2.323 178.218 176.000 -0.176 0.000 0.975 50 Q CA 1.953 57.670 55.803 -0.142 0.000 0.836 50 Q CB -0.663 28.033 28.738 -0.071 0.000 0.896 50 Q HN 0.239 nan 8.270 nan 0.000 0.428 51 V N -2.333 117.457 119.914 -0.206 0.000 2.488 51 V HA 0.044 4.165 4.120 0.001 0.000 0.246 51 V C 2.150 178.039 176.094 -0.341 0.000 1.046 51 V CA 1.317 63.489 62.300 -0.212 0.000 1.053 51 V CB -1.024 30.722 31.823 -0.129 0.000 0.679 51 V HN 0.245 nan 8.190 nan 0.000 0.458 52 A N 0.938 123.403 122.820 -0.592 0.000 1.933 52 A HA 0.096 4.417 4.320 0.001 0.000 0.218 52 A C 2.437 179.782 177.584 -0.399 0.000 1.175 52 A CA 2.130 53.764 52.037 -0.671 0.000 0.628 52 A CB -0.976 17.235 19.000 -1.315 0.000 0.814 52 A HN 0.941 nan 8.150 nan 0.000 0.444 53 A N -0.284 122.336 122.820 -0.333 0.000 2.015 53 A HA -0.047 4.274 4.320 0.001 0.000 0.219 53 A C 2.245 179.737 177.584 -0.154 0.000 1.163 53 A CA 2.123 54.037 52.037 -0.206 0.000 0.646 53 A CB -1.127 17.773 19.000 -0.166 0.000 0.806 53 A HN 0.785 nan 8.150 nan 0.000 0.448 54 T N -4.559 109.900 114.554 -0.157 0.000 3.148 54 T HA 0.384 4.734 4.350 0.001 0.000 0.253 54 T C 1.335 175.966 174.700 -0.114 0.000 1.134 54 T CA 1.109 63.139 62.100 -0.116 0.000 1.051 54 T CB -0.013 68.794 68.868 -0.102 0.000 0.959 54 T HN 1.649 nan 8.240 nan 0.000 0.525 55 G N 0.687 109.401 108.800 -0.143 0.000 2.175 55 G HA2 -0.174 3.786 3.960 0.001 0.000 0.244 55 G HA3 -0.174 3.786 3.960 0.001 0.000 0.244 55 G C -0.201 174.618 174.900 -0.136 0.000 0.982 55 G CA 0.134 45.159 45.100 -0.125 0.000 0.641 55 G HN 0.579 nan 8.290 nan 0.000 0.527 56 D N -0.036 120.264 120.400 -0.167 0.000 2.538 56 D HA 0.648 5.289 4.640 0.001 0.000 0.262 56 D C 1.142 177.296 176.300 -0.245 0.000 1.186 56 D CA 0.868 54.771 54.000 -0.162 0.000 1.090 56 D CB 0.238 40.965 40.800 -0.122 0.000 1.187 56 D HN 1.416 nan 8.370 nan 0.000 0.614 57 G N 0.283 108.929 108.800 -0.257 0.000 2.685 57 G HA2 -0.080 3.880 3.960 0.001 0.000 0.387 57 G HA3 -0.080 3.880 3.960 0.001 0.000 0.387 57 G C -2.807 171.827 174.900 -0.443 0.000 1.324 57 G CA -0.694 44.139 45.100 -0.444 0.000 0.878 57 G HN 0.400 nan 8.290 nan 0.000 0.527 58 P HA 0.314 nan 4.420 nan 0.000 0.276 58 P C 0.089 177.237 177.300 -0.254 0.000 1.261 58 P CA -0.183 62.590 63.100 -0.545 0.000 0.800 58 P CB 0.922 32.038 31.700 -0.973 0.000 1.066 59 D N -0.073 120.227 120.400 -0.166 0.000 2.123 59 D HA 0.035 4.675 4.640 0.001 0.000 0.200 59 D C 0.743 177.006 176.300 -0.062 0.000 0.976 59 D CA 1.456 55.402 54.000 -0.091 0.000 0.831 59 D CB 0.256 41.005 40.800 -0.084 0.000 0.974 59 D HN 0.353 nan 8.370 nan 0.000 0.469 60 I N 0.845 121.375 120.570 -0.067 0.000 2.569 60 I HA 0.361 4.531 4.170 0.001 0.000 0.296 60 I C -0.525 175.577 176.117 -0.024 0.000 1.028 60 I CA -0.829 60.456 61.300 -0.025 0.000 1.082 60 I CB 3.195 41.230 38.000 0.058 0.000 1.264 60 I HN -0.194 nan 8.210 nan 0.000 0.429 61 I N 4.957 125.465 120.570 -0.103 0.000 2.436 61 I HA 0.473 4.643 4.170 0.001 0.000 0.289 61 I C -1.523 174.677 176.117 0.139 0.000 1.010 61 I CA -0.440 60.823 61.300 -0.062 0.000 1.098 61 I CB 1.358 38.936 38.000 -0.703 0.000 1.266 61 I HN 0.334 nan 8.210 nan 0.000 0.434 62 F N 7.892 128.000 119.950 0.264 0.000 2.420 62 F HA 0.536 5.064 4.527 0.001 0.000 0.342 62 F C -0.317 175.783 175.800 0.499 0.000 1.113 62 F CA -0.042 58.165 58.000 0.345 0.000 1.059 62 F CB 1.221 40.356 39.000 0.225 0.000 1.128 62 F HN 0.453 nan 8.300 nan 0.000 0.475 63 W N 1.738 123.315 121.300 0.462 0.000 2.989 63 W HA 0.619 5.280 4.660 0.001 0.000 0.344 63 W C -1.253 175.474 176.519 0.346 0.000 1.233 63 W CA -1.288 56.250 57.345 0.321 0.000 1.187 63 W CB 1.484 31.058 29.460 0.189 0.000 1.443 63 W HN 0.630 nan 8.180 nan 0.000 0.573 64 A N 2.083 124.812 122.820 -0.151 0.000 2.507 64 A HA 0.005 4.325 4.320 0.001 0.000 0.235 64 A C 1.359 179.163 177.584 0.367 0.000 1.070 64 A CA 0.932 52.993 52.037 0.040 0.000 0.768 64 A CB -0.159 18.728 19.000 -0.189 0.000 1.011 64 A HN 0.769 nan 8.150 nan 0.000 0.502 65 H N 1.154 120.335 119.070 0.186 0.000 2.518 65 H HA -0.139 4.418 4.556 0.001 0.000 0.289 65 H C 0.962 176.456 175.328 0.276 0.000 1.051 65 H CA 1.402 57.552 56.048 0.170 0.000 1.280 65 H CB -0.366 29.395 29.762 -0.002 0.000 1.380 65 H HN 0.819 nan 8.280 nan 0.000 0.566 66 D N 1.266 121.467 120.400 -0.332 0.000 2.219 66 D HA -0.161 4.479 4.640 0.001 0.000 0.205 66 D C 1.816 178.060 176.300 -0.093 0.000 0.970 66 D CA 0.382 54.222 54.000 -0.266 0.000 0.851 66 D CB -0.264 40.434 40.800 -0.170 0.000 0.943 66 D HN 0.256 nan 8.370 nan 0.000 0.488 67 R N -0.624 119.844 120.500 -0.053 0.000 2.240 67 R HA 0.077 4.418 4.340 0.001 0.000 0.203 67 R C 1.888 177.633 176.300 -0.924 0.000 1.011 67 R CA 0.079 55.876 56.100 -0.505 0.000 1.007 67 R CB -0.490 29.405 30.300 -0.675 0.000 0.911 67 R HN 0.269 nan 8.270 nan 0.000 0.468 68 F N 0.051 119.730 119.950 -0.452 0.000 2.367 68 F HA 0.052 4.579 4.527 0.001 0.000 0.298 68 F C 2.443 178.034 175.800 -0.347 0.000 1.094 68 F CA 1.069 58.881 58.000 -0.312 0.000 1.409 68 F CB -0.624 38.352 39.000 -0.040 0.000 1.064 68 F HN 0.097 nan 8.300 nan 0.000 0.528 69 G N -0.031 108.591 108.800 -0.296 0.000 2.418 69 G HA2 -0.181 3.779 3.960 0.001 0.000 0.217 69 G HA3 -0.181 3.779 3.960 0.001 0.000 0.217 69 G C 2.078 176.546 174.900 -0.719 0.000 1.158 69 G CA 0.856 45.479 45.100 -0.794 0.000 0.771 69 G HN 0.476 nan 8.290 nan 0.000 0.545 70 G N 0.088 108.614 108.800 -0.457 0.000 2.446 70 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 70 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 70 G C 1.633 176.464 174.900 -0.116 0.000 1.168 70 G CA 1.146 46.074 45.100 -0.286 0.000 0.771 70 G HN 0.384 nan 8.290 nan 0.000 0.551 71 Y N 1.376 121.590 120.300 -0.143 0.000 2.145 71 Y HA 0.028 4.578 4.550 0.001 0.000 0.286 71 Y C 3.156 179.036 175.900 -0.033 0.000 1.145 71 Y CA 0.144 58.213 58.100 -0.051 0.000 1.148 71 Y CB -1.306 37.142 38.460 -0.020 0.000 0.981 71 Y HN 0.274 nan 8.280 nan 0.000 0.507 72 A N 0.094 122.957 122.820 0.071 0.000 1.865 72 A HA -0.313 4.007 4.320 0.001 0.000 0.217 72 A C 2.310 179.927 177.584 0.055 0.000 1.191 72 A CA 2.043 54.111 52.037 0.052 0.000 0.623 72 A CB -1.079 17.912 19.000 -0.015 0.000 0.826 72 A HN 0.542 nan 8.150 nan 0.000 0.444 73 Q N -0.350 119.429 119.800 -0.035 0.000 2.181 73 Q HA -0.149 4.192 4.340 0.001 0.000 0.205 73 Q C 1.636 177.669 176.000 0.055 0.000 0.980 73 Q CA 1.801 57.648 55.803 0.074 0.000 0.862 73 Q CB -0.175 28.589 28.738 0.044 0.000 0.905 73 Q HN 0.536 nan 8.270 nan 0.000 0.429 74 S N -0.826 114.896 115.700 0.038 0.000 2.603 74 S HA 0.161 4.631 4.470 0.001 0.000 0.220 74 S C 0.796 175.407 174.600 0.019 0.000 0.967 74 S CA 0.545 58.760 58.200 0.026 0.000 0.920 74 S CB 0.325 63.539 63.200 0.024 0.000 0.773 74 S HN 0.726 nan 8.310 nan 0.000 0.529 75 G N 1.362 110.188 108.800 0.043 0.000 2.198 75 G HA2 -0.230 3.731 3.960 0.001 0.000 0.257 75 G HA3 -0.230 3.731 3.960 0.001 0.000 0.257 75 G C 0.434 175.346 174.900 0.020 0.000 1.042 75 G CA 0.338 45.459 45.100 0.035 0.000 0.791 75 G HN 0.533 nan 8.290 nan 0.000 0.502 76 L N -1.280 119.969 121.223 0.044 0.000 2.616 76 L HA 0.432 4.772 4.340 0.001 0.000 0.229 76 L C 1.157 178.102 176.870 0.124 0.000 1.110 76 L CA 0.194 55.044 54.840 0.017 0.000 0.884 76 L CB 0.126 42.163 42.059 -0.037 0.000 1.115 76 L HN 0.196 nan 8.230 nan 0.000 0.481 77 L N 0.201 121.512 121.223 0.147 0.000 2.346 77 L HA 0.637 4.977 4.340 0.001 0.000 0.274 77 L C 0.113 177.050 176.870 0.112 0.000 1.007 77 L CA -0.621 54.319 54.840 0.167 0.000 0.818 77 L CB 1.990 44.181 42.059 0.221 0.000 1.284 77 L HN -0.093 nan 8.230 nan 0.000 0.424 78 A N 2.098 124.977 122.820 0.097 0.000 2.354 78 A HA 0.240 4.560 4.320 0.001 0.000 0.269 78 A C -0.009 177.615 177.584 0.067 0.000 1.109 78 A CA -0.310 51.769 52.037 0.071 0.000 0.800 78 A CB 0.436 19.473 19.000 0.062 0.000 1.045 78 A HN 0.787 nan 8.150 nan 0.000 0.489 79 E N 1.575 121.805 120.200 0.050 0.000 2.376 79 E HA 0.285 4.635 4.350 0.001 0.000 0.266 79 E C -0.207 176.398 176.600 0.008 0.000 1.009 79 E CA -0.213 56.205 56.400 0.031 0.000 0.902 79 E CB 0.263 29.978 29.700 0.024 0.000 0.972 79 E HN 0.571 nan 8.360 nan 0.000 0.439 80 I N 1.577 122.124 120.570 -0.038 0.000 2.499 80 I HA 0.375 4.545 4.170 0.001 0.000 0.296 80 I C -0.005 176.055 176.117 -0.095 0.000 0.992 80 I CA -0.526 60.717 61.300 -0.095 0.000 1.297 80 I CB 1.747 39.543 38.000 -0.340 0.000 1.410 80 I HN 0.397 nan 8.210 nan 0.000 0.507 81 T N 2.035 116.558 114.554 -0.053 0.000 3.542 81 T HA 0.492 4.842 4.350 0.001 0.000 0.276 81 T C -2.529 172.159 174.700 -0.020 0.000 1.412 81 T CA -1.285 60.789 62.100 -0.043 0.000 1.664 81 T CB -0.047 68.813 68.868 -0.013 0.000 0.863 81 T HN 0.535 nan 8.240 nan 0.000 0.661 82 P HA 0.361 nan 4.420 nan 0.000 0.278 82 P C -0.103 177.206 177.300 0.016 0.000 1.238 82 P CA -0.222 62.906 63.100 0.046 0.000 0.794 82 P CB 0.716 32.542 31.700 0.211 0.000 0.955 83 D N 0.778 121.218 120.400 0.067 0.000 2.369 83 D HA 0.024 4.664 4.640 0.001 0.000 0.241 83 D C 1.152 177.479 176.300 0.045 0.000 1.271 83 D CA -0.309 53.718 54.000 0.046 0.000 0.942 83 D CB 0.518 41.354 40.800 0.060 0.000 1.129 83 D HN 0.084 nan 8.370 nan 0.000 0.476 84 K N 0.205 120.611 120.400 0.010 0.000 2.057 84 K HA -0.105 4.216 4.320 0.001 0.000 0.207 84 K C 1.949 178.569 176.600 0.033 0.000 1.049 84 K CA 1.768 58.049 56.287 -0.010 0.000 0.931 84 K CB -0.850 31.641 32.500 -0.015 0.000 0.714 84 K HN 0.501 nan 8.250 nan 0.000 0.440 85 A N -0.138 122.723 122.820 0.069 0.000 1.883 85 A HA -0.164 4.157 4.320 0.001 0.000 0.217 85 A C 2.216 179.878 177.584 0.131 0.000 1.186 85 A CA 1.721 53.809 52.037 0.085 0.000 0.624 85 A CB -0.928 18.127 19.000 0.092 0.000 0.822 85 A HN 0.476 nan 8.150 nan 0.000 0.444 86 F N 0.414 120.405 119.950 0.067 0.000 2.206 86 F HA -0.116 4.411 4.527 0.001 0.000 0.298 86 F C 2.490 178.424 175.800 0.222 0.000 1.090 86 F CA 1.940 60.022 58.000 0.138 0.000 1.323 86 F CB -0.284 38.821 39.000 0.174 0.000 1.028 86 F HN 0.295 nan 8.300 nan 0.000 0.492 87 Q N -0.164 119.745 119.800 0.182 0.000 2.170 87 Q HA -0.199 4.141 4.340 0.001 0.000 0.203 87 Q C 1.619 177.702 176.000 0.139 0.000 0.976 87 Q CA 1.478 57.321 55.803 0.067 0.000 0.858 87 Q CB -0.224 28.296 28.738 -0.365 0.000 0.907 87 Q HN 0.386 nan 8.270 nan 0.000 0.433 88 D N 0.691 121.113 120.400 0.036 0.000 2.178 88 D HA -0.120 4.521 4.640 0.001 0.000 0.201 88 D C 1.428 177.706 176.300 -0.038 0.000 0.980 88 D CA 1.083 55.091 54.000 0.013 0.000 0.842 88 D CB 0.026 40.824 40.800 -0.002 0.000 0.948 88 D HN 0.176 nan 8.370 nan 0.000 0.472 89 K N -0.289 120.047 120.400 -0.107 0.000 2.209 89 K HA -0.009 4.312 4.320 0.001 0.000 0.204 89 K C 0.724 177.174 176.600 -0.250 0.000 1.048 89 K CA 0.534 56.697 56.287 -0.206 0.000 0.940 89 K CB 0.191 32.494 32.500 -0.328 0.000 0.729 89 K HN 0.169 nan 8.250 nan 0.000 0.451 90 L N 0.104 121.234 121.223 -0.155 0.000 2.334 90 L HA 0.317 4.658 4.340 0.001 0.000 0.270 90 L C -0.176 176.638 176.870 -0.093 0.000 1.018 90 L CA -1.365 53.351 54.840 -0.206 0.000 0.811 90 L CB 0.446 42.290 42.059 -0.359 0.000 1.271 90 L HN -0.113 nan 8.230 nan 0.000 0.443 91 Y N 1.141 121.432 120.300 -0.015 0.000 2.511 91 Y HA 0.067 4.618 4.550 0.001 0.000 0.332 91 Y C -1.401 174.597 175.900 0.163 0.000 1.177 91 Y CA -1.211 56.935 58.100 0.076 0.000 1.422 91 Y CB 0.091 38.592 38.460 0.069 0.000 1.271 91 Y HN 0.420 nan 8.280 nan 0.000 0.550 92 P HA -0.240 nan 4.420 nan 0.000 0.216 92 P C 1.618 179.105 177.300 0.311 0.000 1.150 92 P CA 1.430 64.751 63.100 0.368 0.000 0.843 92 P CB -0.055 31.802 31.700 0.261 0.000 0.787 93 F N 0.957 120.992 119.950 0.143 0.000 2.171 93 F HA -0.213 4.315 4.527 0.001 0.000 0.300 93 F C 2.081 177.890 175.800 0.016 0.000 1.090 93 F CA 2.148 60.184 58.000 0.060 0.000 1.293 93 F CB -0.948 38.057 39.000 0.008 0.000 1.013 93 F HN -0.035 nan 8.300 nan 0.000 0.486 94 T N -2.975 111.623 114.554 0.073 0.000 2.857 94 T HA -0.225 4.126 4.350 0.001 0.000 0.266 94 T C 1.828 176.392 174.700 -0.226 0.000 1.048 94 T CA 1.233 63.244 62.100 -0.149 0.000 1.139 94 T CB -1.265 67.523 68.868 -0.133 0.000 0.874 94 T HN 0.544 nan 8.240 nan 0.000 0.455 95 W N 2.097 123.377 121.300 -0.034 0.000 2.358 95 W HA -0.005 4.656 4.660 0.001 0.000 0.303 95 W C 2.245 178.705 176.519 -0.097 0.000 1.208 95 W CA 0.437 57.752 57.345 -0.050 0.000 1.274 95 W CB -0.232 29.222 29.460 -0.010 0.000 1.138 95 W HN 0.209 nan 8.180 nan 0.000 0.515 96 D N 0.196 120.653 120.400 0.095 0.000 2.133 96 D HA -0.222 4.418 4.640 0.001 0.000 0.195 96 D C 2.177 178.406 176.300 -0.118 0.000 0.997 96 D CA 1.991 55.971 54.000 -0.033 0.000 0.840 96 D CB -0.940 39.787 40.800 -0.122 0.000 0.947 96 D HN 0.145 nan 8.370 nan 0.000 0.452 97 A N 0.497 123.137 122.820 -0.301 0.000 1.972 97 A HA -0.106 4.214 4.320 0.001 0.000 0.219 97 A C 2.011 179.524 177.584 -0.119 0.000 1.169 97 A CA 1.520 53.320 52.037 -0.395 0.000 0.635 97 A CB -0.322 18.212 19.000 -0.777 0.000 0.810 97 A HN 0.249 nan 8.150 nan 0.000 0.446 98 V N -2.901 116.977 119.914 -0.059 0.000 3.170 98 V HA 0.427 4.547 4.120 0.001 0.000 0.354 98 V C 0.315 176.465 176.094 0.093 0.000 1.350 98 V CA -0.328 61.971 62.300 -0.001 0.000 1.244 98 V CB -0.956 30.825 31.823 -0.070 0.000 1.222 98 V HN 0.390 nan 8.190 nan 0.000 0.478 99 R N 0.769 121.340 120.500 0.118 0.000 2.387 99 R HA 0.560 4.900 4.340 0.001 0.000 0.314 99 R C -1.899 174.528 176.300 0.211 0.000 0.958 99 R CA -0.747 55.435 56.100 0.137 0.000 0.846 99 R CB 1.568 31.925 30.300 0.094 0.000 1.147 99 R HN 0.488 nan 8.270 nan 0.000 0.447 100 Y N 4.710 125.048 120.300 0.063 0.000 2.386 100 Y HA 0.218 4.769 4.550 0.001 0.000 0.334 100 Y C -0.718 175.213 175.900 0.051 0.000 1.002 100 Y CA -0.955 57.185 58.100 0.067 0.000 1.068 100 Y CB 1.358 39.865 38.460 0.079 0.000 1.203 100 Y HN 0.814 nan 8.280 nan 0.000 0.443 101 N N 4.177 122.582 118.700 -0.491 0.000 2.705 101 N HA -0.196 4.544 4.740 0.001 0.000 0.255 101 N C 0.891 176.329 175.510 -0.120 0.000 1.008 101 N CA 1.798 54.642 53.050 -0.345 0.000 0.742 101 N CB -1.126 37.115 38.487 -0.410 0.000 0.906 101 N HN 1.376 nan 8.380 nan 0.000 0.541 102 G N -1.648 107.112 108.800 -0.067 0.000 2.155 102 G HA2 -0.366 3.594 3.960 0.001 0.000 0.257 102 G HA3 -0.366 3.594 3.960 0.001 0.000 0.257 102 G C 0.031 174.927 174.900 -0.007 0.000 0.983 102 G CA 0.984 46.066 45.100 -0.029 0.000 0.676 102 G HN 0.579 nan 8.290 nan 0.000 0.528 103 K N -0.563 119.850 120.400 0.022 0.000 2.318 103 K HA 0.665 4.985 4.320 0.001 0.000 0.249 103 K C 0.117 176.752 176.600 0.059 0.000 0.942 103 K CA -0.988 55.321 56.287 0.036 0.000 0.808 103 K CB 1.850 34.387 32.500 0.062 0.000 1.189 103 K HN 0.083 nan 8.250 nan 0.000 0.428 104 L N 4.577 125.814 121.223 0.023 0.000 2.313 104 L HA 0.281 4.622 4.340 0.001 0.000 0.282 104 L C 1.069 177.959 176.870 0.033 0.000 1.092 104 L CA 0.011 54.870 54.840 0.032 0.000 0.831 104 L CB 0.309 42.349 42.059 -0.031 0.000 1.159 104 L HN 0.711 nan 8.230 nan 0.000 0.442 105 I N 0.150 120.757 120.570 0.061 0.000 4.154 105 I HA 0.625 4.796 4.170 0.001 0.000 0.334 105 I C 0.305 176.438 176.117 0.027 0.000 1.371 105 I CA -0.183 61.166 61.300 0.081 0.000 1.110 105 I CB 0.587 38.687 38.000 0.166 0.000 1.085 105 I HN 0.509 nan 8.210 nan 0.000 0.398 106 A N 0.236 123.007 122.820 -0.082 0.000 2.597 106 A HA 0.634 4.954 4.320 0.001 0.000 0.292 106 A C -2.031 175.439 177.584 -0.189 0.000 1.057 106 A CA -0.431 51.490 52.037 -0.193 0.000 0.674 106 A CB 0.552 19.233 19.000 -0.531 0.000 1.278 106 A HN 0.174 nan 8.150 nan 0.000 0.416 107 Y N 1.652 121.897 120.300 -0.091 0.000 2.336 107 Y HA 0.438 4.989 4.550 0.001 0.000 0.335 107 Y C -1.897 173.857 175.900 -0.243 0.000 1.046 107 Y CA -1.619 56.436 58.100 -0.076 0.000 1.198 107 Y CB 1.035 39.492 38.460 -0.005 0.000 1.182 107 Y HN 0.412 nan 8.280 nan 0.000 0.502 108 P HA 0.117 nan 4.420 nan 0.000 0.280 108 P C -0.064 177.155 177.300 -0.135 0.000 1.244 108 P CA 0.036 62.979 63.100 -0.261 0.000 0.784 108 P CB 1.688 33.122 31.700 -0.443 0.000 0.913 109 I N 1.093 121.643 120.570 -0.033 0.000 3.345 109 I HA 0.353 4.523 4.170 0.001 0.000 0.258 109 I C 1.042 177.202 176.117 0.071 0.000 1.134 109 I CA 0.257 61.593 61.300 0.059 0.000 1.457 109 I CB -0.939 37.161 38.000 0.168 0.000 1.425 109 I HN 0.348 nan 8.210 nan 0.000 0.461 110 A N 0.531 123.398 122.820 0.079 0.000 2.604 110 A HA 0.641 4.961 4.320 0.001 0.000 0.295 110 A C -1.190 176.459 177.584 0.107 0.000 1.067 110 A CA -0.385 51.713 52.037 0.100 0.000 0.683 110 A CB 1.441 20.510 19.000 0.116 0.000 1.281 110 A HN -0.149 nan 8.150 nan 0.000 0.407 111 V N 1.896 121.878 119.914 0.114 0.000 2.432 111 V HA 0.372 4.493 4.120 0.001 0.000 0.275 111 V C 0.057 176.234 176.094 0.137 0.000 1.043 111 V CA -0.045 62.338 62.300 0.138 0.000 0.925 111 V CB 0.899 32.790 31.823 0.114 0.000 0.985 111 V HN 0.878 nan 8.190 nan 0.000 0.466 112 E N 3.074 123.388 120.200 0.189 0.000 2.227 112 E HA 0.848 5.198 4.350 0.001 0.000 0.268 112 E C -0.560 176.180 176.600 0.233 0.000 0.907 112 E CA -0.741 55.791 56.400 0.220 0.000 0.786 112 E CB 2.386 32.291 29.700 0.342 0.000 1.191 112 E HN 0.826 nan 8.360 nan 0.000 0.411 113 A N 2.433 125.350 122.820 0.161 0.000 2.589 113 A HA 0.441 4.762 4.320 0.001 0.000 0.296 113 A C -1.205 176.396 177.584 0.029 0.000 1.062 113 A CA -0.750 51.367 52.037 0.133 0.000 0.686 113 A CB 0.775 19.837 19.000 0.103 0.000 1.282 113 A HN 0.531 nan 8.150 nan 0.000 0.404 114 L N 1.353 122.564 121.223 -0.020 0.000 2.452 114 L HA 0.516 4.856 4.340 0.001 0.000 0.267 114 L C 0.618 177.467 176.870 -0.034 0.000 1.188 114 L CA 0.131 54.923 54.840 -0.080 0.000 0.821 114 L CB 1.257 43.222 42.059 -0.155 0.000 1.102 114 L HN 0.729 nan 8.230 nan 0.000 0.470 115 S N 1.344 117.032 115.700 -0.020 0.000 2.627 115 S HA 0.498 4.968 4.470 0.001 0.000 0.283 115 S C -1.058 173.530 174.600 -0.020 0.000 1.127 115 S CA -0.656 57.550 58.200 0.010 0.000 0.863 115 S CB 1.972 65.222 63.200 0.084 0.000 1.121 115 S HN 0.368 nan 8.310 nan 0.000 0.479 116 L N 2.621 123.825 121.223 -0.033 0.000 2.361 116 L HA 0.485 4.825 4.340 0.001 0.000 0.278 116 L C -1.155 175.735 176.870 0.033 0.000 1.113 116 L CA 0.460 55.266 54.840 -0.057 0.000 0.849 116 L CB -0.424 41.575 42.059 -0.100 0.000 1.155 116 L HN 0.499 nan 8.230 nan 0.000 0.452 117 I N 6.588 127.133 120.570 -0.041 0.000 2.377 117 I HA 0.369 4.539 4.170 0.001 0.000 0.293 117 I C -0.938 175.184 176.117 0.008 0.000 0.987 117 I CA -0.772 60.489 61.300 -0.065 0.000 1.185 117 I CB 1.142 38.944 38.000 -0.329 0.000 1.341 117 I HN 0.629 nan 8.210 nan 0.000 0.455 118 Y N 4.123 124.504 120.300 0.135 0.000 2.504 118 Y HA 0.483 5.033 4.550 0.001 0.000 0.344 118 Y C -0.822 175.346 175.900 0.446 0.000 1.023 118 Y CA -1.421 56.863 58.100 0.307 0.000 1.020 118 Y CB 0.903 39.433 38.460 0.116 0.000 1.282 118 Y HN 0.455 nan 8.280 nan 0.000 0.454 119 N N 3.440 122.383 118.700 0.405 0.000 2.405 119 N HA 0.098 4.838 4.740 0.001 0.000 0.260 119 N C 0.273 175.848 175.510 0.109 0.000 1.152 119 N CA 0.131 53.223 53.050 0.070 0.000 0.948 119 N CB 1.032 39.444 38.487 -0.125 0.000 1.111 119 N HN 0.929 nan 8.380 nan 0.000 0.485 120 K N 2.065 122.450 120.400 -0.024 0.000 2.148 120 K HA -0.094 4.226 4.320 0.001 0.000 0.204 120 K C 0.492 177.128 176.600 0.060 0.000 1.050 120 K CA 1.061 57.384 56.287 0.060 0.000 0.942 120 K CB 0.333 32.803 32.500 -0.051 0.000 0.724 120 K HN 0.506 nan 8.250 nan 0.000 0.446 121 D N 0.949 121.354 120.400 0.010 0.000 2.103 121 D HA -0.086 4.554 4.640 0.001 0.000 0.199 121 D C 1.895 178.202 176.300 0.013 0.000 0.978 121 D CA 0.965 54.966 54.000 0.000 0.000 0.829 121 D CB -0.124 40.661 40.800 -0.026 0.000 0.981 121 D HN 0.092 nan 8.370 nan 0.000 0.464 122 L N -0.521 120.710 121.223 0.013 0.000 2.217 122 L HA -0.003 4.337 4.340 0.001 0.000 0.211 122 L C 0.537 177.437 176.870 0.051 0.000 1.107 122 L CA 0.410 55.264 54.840 0.022 0.000 0.783 122 L CB 0.242 42.307 42.059 0.010 0.000 0.919 122 L HN -0.002 nan 8.230 nan 0.000 0.442 123 L N -0.559 120.722 121.223 0.097 0.000 2.549 123 L HA 0.345 4.685 4.340 0.001 0.000 0.260 123 L C -2.275 174.691 176.870 0.159 0.000 1.109 123 L CA -1.178 53.727 54.840 0.108 0.000 0.900 123 L CB 1.100 43.233 42.059 0.123 0.000 1.119 123 L HN -0.257 nan 8.230 nan 0.000 0.471 124 P HA 0.032 nan 4.420 nan 0.000 0.219 124 P C -0.348 176.982 177.300 0.051 0.000 1.150 124 P CA 0.987 64.153 63.100 0.110 0.000 0.814 124 P CB 0.194 31.924 31.700 0.050 0.000 0.787 125 N N 0.444 119.123 118.700 -0.034 0.000 2.558 125 N HA 0.220 4.961 4.740 0.001 0.000 0.242 125 N C -2.571 172.814 175.510 -0.210 0.000 0.979 125 N CA -1.759 51.219 53.050 -0.121 0.000 0.931 125 N CB 0.608 39.048 38.487 -0.078 0.000 1.122 125 N HN 0.100 nan 8.380 nan 0.000 0.508 126 P HA 0.219 nan 4.420 nan 0.000 0.275 126 P C -2.678 174.451 177.300 -0.285 0.000 1.228 126 P CA -1.202 61.627 63.100 -0.452 0.000 0.786 126 P CB 0.281 31.440 31.700 -0.902 0.000 0.927 127 P HA 0.136 nan 4.420 nan 0.000 0.271 127 P C 0.443 177.634 177.300 -0.182 0.000 1.216 127 P CA -0.113 62.888 63.100 -0.164 0.000 0.771 127 P CB 0.892 32.510 31.700 -0.137 0.000 0.864 128 K N 0.540 120.859 120.400 -0.135 0.000 2.365 128 K HA 0.067 4.387 4.320 0.001 0.000 0.197 128 K C 1.042 177.581 176.600 -0.101 0.000 1.042 128 K CA 0.853 57.068 56.287 -0.120 0.000 0.987 128 K CB -0.117 32.331 32.500 -0.087 0.000 0.779 128 K HN 0.649 nan 8.250 nan 0.000 0.484 129 T N -4.224 110.279 114.554 -0.085 0.000 2.893 129 T HA 0.286 4.637 4.350 0.001 0.000 0.291 129 T C 0.506 175.200 174.700 -0.009 0.000 1.028 129 T CA -0.897 61.189 62.100 -0.023 0.000 0.995 129 T CB 1.122 69.996 68.868 0.009 0.000 1.051 129 T HN 0.112 nan 8.240 nan 0.000 0.470 130 W N 0.911 122.191 121.300 -0.034 0.000 2.363 130 W HA 0.064 4.725 4.660 0.001 0.000 0.296 130 W C 2.109 178.694 176.519 0.109 0.000 1.212 130 W CA 0.944 58.279 57.345 -0.018 0.000 1.260 130 W CB -0.144 29.177 29.460 -0.231 0.000 1.131 130 W HN 0.823 nan 8.180 nan 0.000 0.530 131 E N 0.092 120.452 120.200 0.267 0.000 2.265 131 E HA -0.193 4.157 4.350 0.001 0.000 0.196 131 E C 1.629 178.383 176.600 0.258 0.000 0.996 131 E CA 1.311 57.911 56.400 0.333 0.000 0.832 131 E CB -0.287 29.514 29.700 0.167 0.000 0.756 131 E HN 0.364 nan 8.360 nan 0.000 0.491 132 E N 0.128 120.418 120.200 0.149 0.000 2.150 132 E HA -0.146 4.205 4.350 0.001 0.000 0.193 132 E C 1.894 178.532 176.600 0.063 0.000 0.985 132 E CA 0.656 57.099 56.400 0.072 0.000 0.814 132 E CB -0.088 29.619 29.700 0.011 0.000 0.752 132 E HN 0.322 nan 8.360 nan 0.000 0.466 133 I N 1.085 121.721 120.570 0.110 0.000 2.208 133 I HA -0.212 3.959 4.170 0.001 0.000 0.245 133 I C -0.815 175.260 176.117 -0.070 0.000 1.097 133 I CA 1.024 62.354 61.300 0.050 0.000 1.363 133 I CB -1.179 36.903 38.000 0.135 0.000 1.051 133 I HN 0.082 nan 8.210 nan 0.000 0.413 134 P HA -0.166 nan 4.420 nan 0.000 0.216 134 P C 1.416 178.516 177.300 -0.333 0.000 1.150 134 P CA 1.751 64.516 63.100 -0.558 0.000 0.837 134 P CB -0.007 31.499 31.700 -0.324 0.000 0.786 135 A N -0.874 121.879 122.820 -0.111 0.000 1.897 135 A HA -0.122 4.198 4.320 0.001 0.000 0.215 135 A C 2.119 179.681 177.584 -0.036 0.000 1.181 135 A CA 1.153 53.164 52.037 -0.043 0.000 0.620 135 A CB -1.589 17.409 19.000 -0.004 0.000 0.821 135 A HN 0.138 nan 8.150 nan 0.000 0.443 136 L N 0.226 121.426 121.223 -0.040 0.000 2.093 136 L HA -0.140 4.200 4.340 0.001 0.000 0.208 136 L C 1.921 178.783 176.870 -0.014 0.000 1.085 136 L CA 2.527 57.353 54.840 -0.022 0.000 0.755 136 L CB -0.494 41.553 42.059 -0.021 0.000 0.904 136 L HN 0.508 nan 8.230 nan 0.000 0.435 137 D N -0.780 119.594 120.400 -0.043 0.000 2.117 137 D HA -0.255 4.385 4.640 0.001 0.000 0.197 137 D C 2.260 178.589 176.300 0.049 0.000 0.987 137 D CA 1.311 55.315 54.000 0.006 0.000 0.829 137 D CB -0.017 40.774 40.800 -0.015 0.000 0.961 137 D HN 0.252 nan 8.370 nan 0.000 0.460 138 K N 0.156 120.576 120.400 0.033 0.000 2.032 138 K HA -0.203 4.118 4.320 0.001 0.000 0.209 138 K C 2.008 178.634 176.600 0.043 0.000 1.048 138 K CA 1.459 57.785 56.287 0.066 0.000 0.927 138 K CB -0.009 32.526 32.500 0.058 0.000 0.712 138 K HN 0.245 nan 8.250 nan 0.000 0.441 139 E N 0.447 120.662 120.200 0.026 0.000 2.051 139 E HA -0.204 4.146 4.350 0.001 0.000 0.192 139 E C 2.133 178.747 176.600 0.024 0.000 0.991 139 E CA 1.354 57.767 56.400 0.021 0.000 0.799 139 E CB -0.107 29.601 29.700 0.013 0.000 0.748 139 E HN 0.286 nan 8.360 nan 0.000 0.449 140 L N 0.938 122.178 121.223 0.028 0.000 2.141 140 L HA -0.163 4.178 4.340 0.001 0.000 0.209 140 L C 2.387 179.278 176.870 0.035 0.000 1.094 140 L CA 0.795 55.654 54.840 0.031 0.000 0.763 140 L CB -0.248 41.833 42.059 0.037 0.000 0.908 140 L HN -0.008 nan 8.230 nan 0.000 0.437 141 K N 0.250 120.677 120.400 0.045 0.000 2.097 141 K HA -0.112 4.208 4.320 0.001 0.000 0.206 141 K C 2.185 178.804 176.600 0.031 0.000 1.049 141 K CA 1.431 57.745 56.287 0.045 0.000 0.933 141 K CB -0.442 32.095 32.500 0.061 0.000 0.717 141 K HN 0.291 nan 8.250 nan 0.000 0.442 142 A N 2.232 125.069 122.820 0.029 0.000 1.978 142 A HA -0.181 4.140 4.320 0.001 0.000 0.220 142 A C 1.515 179.109 177.584 0.016 0.000 1.170 142 A CA 1.626 53.676 52.037 0.021 0.000 0.636 142 A CB -0.313 18.698 19.000 0.019 0.000 0.810 142 A HN 0.453 nan 8.150 nan 0.000 0.448 143 K N -1.633 118.777 120.400 0.016 0.000 2.814 143 K HA 0.449 4.769 4.320 0.001 0.000 0.213 143 K C 0.581 177.187 176.600 0.011 0.000 1.113 143 K CA 0.145 56.438 56.287 0.011 0.000 1.145 143 K CB -0.442 32.063 32.500 0.009 0.000 0.948 143 K HN 0.670 nan 8.250 nan 0.000 0.464 144 G N 1.540 110.348 108.800 0.013 0.000 2.221 144 G HA2 -0.248 3.713 3.960 0.001 0.000 0.265 144 G HA3 -0.248 3.713 3.960 0.001 0.000 0.265 144 G C -0.469 174.440 174.900 0.014 0.000 1.041 144 G CA 0.239 45.346 45.100 0.012 0.000 0.807 144 G HN 0.357 nan 8.290 nan 0.000 0.502 145 K N -0.659 119.754 120.400 0.021 0.000 2.439 145 K HA 0.799 5.120 4.320 0.001 0.000 0.260 145 K C 0.146 176.771 176.600 0.042 0.000 1.032 145 K CA -0.056 56.246 56.287 0.026 0.000 0.882 145 K CB 1.766 34.278 32.500 0.020 0.000 1.420 145 K HN 0.631 nan 8.250 nan 0.000 0.455 146 S N -1.404 114.328 115.700 0.054 0.000 2.638 146 S HA 0.667 5.137 4.470 0.001 0.000 0.302 146 S C 0.635 175.286 174.600 0.085 0.000 1.096 146 S CA -0.259 57.986 58.200 0.075 0.000 0.953 146 S CB 1.879 65.128 63.200 0.082 0.000 1.107 146 S HN 0.581 nan 8.310 nan 0.000 0.503 147 A N 0.524 123.399 122.820 0.092 0.000 1.861 147 A HA 0.473 4.793 4.320 0.001 0.000 0.212 147 A C 0.483 178.137 177.584 0.116 0.000 1.199 147 A CA 0.841 52.929 52.037 0.085 0.000 0.613 147 A CB -0.597 18.435 19.000 0.054 0.000 0.846 147 A HN 0.944 nan 8.150 nan 0.000 0.446 148 L N -0.928 120.382 121.223 0.145 0.000 2.455 148 L HA 0.719 5.059 4.340 0.001 0.000 0.264 148 L C -1.210 175.795 176.870 0.225 0.000 0.968 148 L CA -0.199 54.757 54.840 0.192 0.000 0.827 148 L CB 1.839 44.020 42.059 0.203 0.000 1.317 148 L HN 0.349 nan 8.230 nan 0.000 0.407 149 M N 5.966 125.712 119.600 0.243 0.000 2.271 149 M HA 0.589 5.069 4.480 0.001 0.000 0.285 149 M C -1.515 174.940 176.300 0.259 0.000 1.059 149 M CA -0.422 54.986 55.300 0.181 0.000 0.940 149 M CB 2.044 34.706 32.600 0.104 0.000 1.636 149 M HN 0.606 nan 8.290 nan 0.000 0.460 150 F N 0.226 120.180 119.950 0.006 0.000 2.745 150 F HA 0.580 5.107 4.527 0.001 0.000 0.316 150 F C -0.822 174.908 175.800 -0.117 0.000 1.155 150 F CA -1.355 56.608 58.000 -0.062 0.000 0.937 150 F CB 0.796 39.824 39.000 0.046 0.000 1.361 150 F HN 0.438 nan 8.300 nan 0.000 0.472 151 N N 1.574 120.129 118.700 -0.242 0.000 2.427 151 N HA 0.172 4.912 4.740 0.001 0.000 0.269 151 N C 0.086 175.455 175.510 -0.235 0.000 1.235 151 N CA 0.087 52.906 53.050 -0.384 0.000 0.934 151 N CB 0.330 38.330 38.487 -0.812 0.000 1.121 151 N HN 0.777 nan 8.380 nan 0.000 0.480 152 L N 2.131 123.208 121.223 -0.243 0.000 2.607 152 L HA 0.117 4.457 4.340 0.001 0.000 0.228 152 L C 1.350 178.214 176.870 -0.011 0.000 1.123 152 L CA 0.082 54.831 54.840 -0.152 0.000 0.890 152 L CB 0.079 42.001 42.059 -0.228 0.000 1.103 152 L HN 0.448 nan 8.230 nan 0.000 0.468 153 Q N -0.194 119.609 119.800 0.005 0.000 2.402 153 Q HA 0.150 4.490 4.340 0.001 0.000 0.206 153 Q C 0.202 176.266 176.000 0.107 0.000 0.919 153 Q CA 0.618 56.445 55.803 0.040 0.000 0.923 153 Q CB 0.632 29.384 28.738 0.022 0.000 1.048 153 Q HN 0.310 nan 8.270 nan 0.000 0.515 154 E N 1.347 121.669 120.200 0.203 0.000 2.165 154 E HA 0.184 4.534 4.350 0.001 0.000 0.266 154 E C -1.845 175.013 176.600 0.429 0.000 0.889 154 E CA -2.029 54.551 56.400 0.301 0.000 0.756 154 E CB 2.080 32.022 29.700 0.404 0.000 1.131 154 E HN -0.119 nan 8.360 nan 0.000 0.411 155 P HA -0.191 nan 4.420 nan 0.000 0.221 155 P C 1.359 179.035 177.300 0.626 0.000 1.145 155 P CA 0.882 64.263 63.100 0.468 0.000 0.795 155 P CB 0.145 32.129 31.700 0.474 0.000 0.775 156 Y N 0.392 120.863 120.300 0.285 0.000 2.181 156 Y HA -0.242 4.308 4.550 0.001 0.000 0.284 156 Y C 1.951 177.998 175.900 0.245 0.000 1.179 156 Y CA 1.770 59.973 58.100 0.171 0.000 1.179 156 Y CB -1.036 37.300 38.460 -0.207 0.000 0.973 156 Y HN -0.190 nan 8.280 nan 0.000 0.519 157 F N -1.183 119.016 119.950 0.416 0.000 2.387 157 F HA -0.046 4.482 4.527 0.001 0.000 0.294 157 F C 2.531 178.573 175.800 0.405 0.000 1.093 157 F CA 1.392 59.619 58.000 0.379 0.000 1.420 157 F CB -0.734 38.603 39.000 0.562 0.000 1.086 157 F HN 0.063 nan 8.300 nan 0.000 0.531 158 T N -3.190 111.735 114.554 0.619 0.000 3.054 158 T HA -0.166 4.185 4.350 0.001 0.000 0.259 158 T C 1.922 176.794 174.700 0.287 0.000 1.092 158 T CA 0.140 62.513 62.100 0.455 0.000 1.121 158 T CB -0.791 68.295 68.868 0.364 0.000 0.912 158 T HN 0.498 nan 8.240 nan 0.000 0.489 159 W N 3.025 124.443 121.300 0.198 0.000 2.321 159 W HA -0.092 4.568 4.660 0.001 0.000 0.306 159 W C -1.657 174.866 176.519 0.007 0.000 1.217 159 W CA 1.289 58.719 57.345 0.141 0.000 1.257 159 W CB -1.136 28.514 29.460 0.317 0.000 1.145 159 W HN 0.294 nan 8.180 nan 0.000 0.509 160 P HA -0.223 nan 4.420 nan 0.000 0.216 160 P C 1.783 178.946 177.300 -0.228 0.000 1.150 160 P CA 1.628 64.654 63.100 -0.123 0.000 0.843 160 P CB -0.472 31.233 31.700 0.009 0.000 0.787 161 L N -0.893 120.172 121.223 -0.264 0.000 2.072 161 L HA -0.060 4.280 4.340 0.001 0.000 0.205 161 L C 2.196 178.726 176.870 -0.567 0.000 1.079 161 L CA 1.624 56.141 54.840 -0.538 0.000 0.752 161 L CB -1.195 40.358 42.059 -0.843 0.000 0.906 161 L HN -0.143 nan 8.230 nan 0.000 0.436 162 I N -0.231 120.023 120.570 -0.527 0.000 2.226 162 I HA -0.275 3.895 4.170 0.001 0.000 0.245 162 I C 2.499 178.204 176.117 -0.686 0.000 1.100 162 I CA 1.229 62.189 61.300 -0.567 0.000 1.374 162 I CB -0.595 37.083 38.000 -0.538 0.000 1.057 162 I HN 0.348 nan 8.210 nan 0.000 0.413 163 A N 0.585 122.834 122.820 -0.951 0.000 2.014 163 A HA -0.024 4.296 4.320 0.001 0.000 0.218 163 A C 2.544 179.939 177.584 -0.316 0.000 1.163 163 A CA 1.326 52.920 52.037 -0.738 0.000 0.652 163 A CB -0.630 17.858 19.000 -0.854 0.000 0.808 163 A HN 0.409 nan 8.150 nan 0.000 0.449 164 A N 0.136 122.811 122.820 -0.242 0.000 1.903 164 A HA -0.261 4.059 4.320 0.001 0.000 0.219 164 A C 1.755 179.339 177.584 0.000 0.000 1.191 164 A CA 2.242 54.241 52.037 -0.063 0.000 0.638 164 A CB -0.547 18.475 19.000 0.037 0.000 0.823 164 A HN 0.455 nan 8.150 nan 0.000 0.451 165 D N -2.786 117.639 120.400 0.043 0.000 2.342 165 D HA 0.356 4.996 4.640 0.001 0.000 0.221 165 D C 0.852 177.158 176.300 0.010 0.000 1.101 165 D CA 1.022 55.044 54.000 0.037 0.000 0.837 165 D CB 0.044 40.904 40.800 0.101 0.000 0.938 165 D HN 0.530 nan 8.370 nan 0.000 0.508 166 G N -1.179 107.616 108.800 -0.008 0.000 2.370 166 G HA2 -0.056 3.904 3.960 0.001 0.000 0.174 166 G HA3 -0.056 3.904 3.960 0.001 0.000 0.174 166 G C 0.683 175.627 174.900 0.074 0.000 1.002 166 G CA -0.277 44.852 45.100 0.048 0.000 0.730 166 G HN 0.490 nan 8.290 nan 0.000 0.497 167 G N 0.322 109.070 108.800 -0.086 0.000 2.441 167 G HA2 0.647 4.607 3.960 0.001 0.000 0.243 167 G HA3 0.647 4.607 3.960 0.001 0.000 0.243 167 G C -0.239 174.693 174.900 0.055 0.000 1.281 167 G CA 0.586 45.580 45.100 -0.176 0.000 0.854 167 G HN 1.493 nan 8.290 nan 0.000 0.560 168 Y N -1.628 118.800 120.300 0.213 0.000 2.670 168 Y HA 0.724 5.275 4.550 0.001 0.000 0.334 168 Y C 0.635 176.761 175.900 0.376 0.000 1.185 168 Y CA -0.765 57.559 58.100 0.373 0.000 1.053 168 Y CB 0.839 39.417 38.460 0.197 0.000 1.298 168 Y HN 0.655 nan 8.280 nan 0.000 0.459 169 A N 1.030 124.017 122.820 0.279 0.000 1.878 169 A HA 0.455 4.775 4.320 0.001 0.000 0.215 169 A C -0.505 176.697 177.584 -0.637 0.000 1.310 169 A CA 0.921 52.588 52.037 -0.616 0.000 0.612 169 A CB -0.320 18.022 19.000 -1.096 0.000 0.989 169 A HN 0.560 nan 8.150 nan 0.000 0.472 170 F N -0.718 119.325 119.950 0.156 0.000 2.556 170 F HA 0.435 4.962 4.527 0.001 0.000 0.314 170 F C -0.020 176.070 175.800 0.484 0.000 1.106 170 F CA -0.852 57.323 58.000 0.293 0.000 0.911 170 F CB 1.820 40.875 39.000 0.092 0.000 1.190 170 F HN 0.070 nan 8.300 nan 0.000 0.448 171 K N 2.651 123.385 120.400 0.557 0.000 2.412 171 K HA 0.079 4.399 4.320 0.001 0.000 0.284 171 K C -1.192 175.558 176.600 0.249 0.000 1.046 171 K CA -0.164 56.258 56.287 0.225 0.000 0.999 171 K CB 0.318 32.875 32.500 0.095 0.000 0.941 171 K HN 0.687 nan 8.250 nan 0.000 0.474 172 Y N 3.836 124.134 120.300 -0.004 0.000 2.436 172 Y HA 0.123 4.673 4.550 0.001 0.000 0.343 172 Y C -0.533 175.279 175.900 -0.147 0.000 1.008 172 Y CA 0.295 58.241 58.100 -0.258 0.000 1.241 172 Y CB 0.652 38.857 38.460 -0.426 0.000 1.153 172 Y HN 0.653 nan 8.280 nan 0.000 0.521 173 E N 4.885 124.818 120.200 -0.444 0.000 2.311 173 E HA 0.219 4.569 4.350 0.001 0.000 0.281 173 E C -0.989 175.420 176.600 -0.318 0.000 0.905 173 E CA -0.631 55.617 56.400 -0.253 0.000 0.778 173 E CB 0.680 30.313 29.700 -0.112 0.000 1.240 173 E HN 0.751 nan 8.360 nan 0.000 0.410 174 N N 2.610 121.178 118.700 -0.221 0.000 2.740 174 N HA -0.207 4.534 4.740 0.001 0.000 0.248 174 N C 0.448 175.812 175.510 -0.244 0.000 1.062 174 N CA 1.461 54.407 53.050 -0.173 0.000 0.704 174 N CB -1.370 37.045 38.487 -0.120 0.000 0.968 174 N HN 0.991 nan 8.380 nan 0.000 0.547 175 G N -0.872 107.719 108.800 -0.348 0.000 2.153 175 G HA2 -0.363 3.597 3.960 0.001 0.000 0.252 175 G HA3 -0.363 3.597 3.960 0.001 0.000 0.252 175 G C 0.034 174.634 174.900 -0.499 0.000 0.994 175 G CA 1.423 46.338 45.100 -0.309 0.000 0.698 175 G HN 0.978 nan 8.290 nan 0.000 0.521 176 K N -1.933 117.960 120.400 -0.846 0.000 2.555 176 K HA 0.674 4.995 4.320 0.001 0.000 0.279 176 K C -0.964 175.233 176.600 -0.671 0.000 0.986 176 K CA -1.404 54.526 56.287 -0.596 0.000 0.880 176 K CB 1.046 33.407 32.500 -0.231 0.000 1.474 176 K HN -0.009 nan 8.250 nan 0.000 0.433 177 Y N 0.884 121.084 120.300 -0.167 0.000 2.316 177 Y HA 0.162 4.712 4.550 0.001 0.000 0.331 177 Y C -0.060 175.814 175.900 -0.043 0.000 1.083 177 Y CA 0.041 58.130 58.100 -0.019 0.000 1.206 177 Y CB 1.105 39.603 38.460 0.062 0.000 1.195 177 Y HN 0.630 nan 8.280 nan 0.000 0.497 178 D N 4.367 124.879 120.400 0.188 0.000 2.365 178 D HA 0.074 4.714 4.640 0.001 0.000 0.237 178 D C 0.926 177.355 176.300 0.214 0.000 1.190 178 D CA -0.220 53.867 54.000 0.145 0.000 0.867 178 D CB 0.470 41.353 40.800 0.138 0.000 1.050 178 D HN 0.627 nan 8.370 nan 0.000 0.491 179 I N 0.824 121.435 120.570 0.069 0.000 3.001 179 I HA -0.021 4.149 4.170 0.001 0.000 0.268 179 I C 1.065 177.315 176.117 0.221 0.000 1.267 179 I CA 0.419 61.699 61.300 -0.033 0.000 1.472 179 I CB 0.093 37.982 38.000 -0.186 0.000 1.089 179 I HN 0.002 nan 8.210 nan 0.000 0.468 180 K N 0.621 121.143 120.400 0.205 0.000 2.352 180 K HA 0.117 4.437 4.320 0.001 0.000 0.194 180 K C 0.105 176.845 176.600 0.233 0.000 1.038 180 K CA 0.283 56.690 56.287 0.200 0.000 1.023 180 K CB -0.110 32.467 32.500 0.129 0.000 0.840 180 K HN 0.272 nan 8.250 nan 0.000 0.519 181 D N 1.926 122.496 120.400 0.284 0.000 2.468 181 D HA 0.097 4.737 4.640 0.001 0.000 0.218 181 D C -0.969 175.542 176.300 0.352 0.000 1.155 181 D CA -0.245 53.933 54.000 0.296 0.000 0.924 181 D CB 0.273 41.246 40.800 0.288 0.000 1.029 181 D HN -0.275 nan 8.370 nan 0.000 0.515 182 V N 2.450 122.463 119.914 0.166 0.000 2.398 182 V HA 0.550 4.671 4.120 0.001 0.000 0.286 182 V C 1.359 177.283 176.094 -0.282 0.000 1.026 182 V CA -0.907 61.340 62.300 -0.088 0.000 0.868 182 V CB 1.796 33.551 31.823 -0.114 0.000 0.982 182 V HN 0.538 nan 8.190 nan 0.000 0.443 183 G N 2.285 110.598 108.800 -0.811 0.000 3.814 183 G HA2 0.291 4.252 3.960 0.001 0.000 0.293 183 G HA3 0.291 4.252 3.960 0.001 0.000 0.293 183 G C 0.812 175.407 174.900 -0.509 0.000 1.243 183 G CA 0.497 44.764 45.100 -1.390 0.000 1.053 183 G HN 0.849 nan 8.290 nan 0.000 0.562 184 V N -2.271 117.535 119.914 -0.180 0.000 3.354 184 V HA 0.131 4.251 4.120 0.001 0.000 0.258 184 V C 1.122 177.202 176.094 -0.023 0.000 1.159 184 V CA 1.117 63.431 62.300 0.023 0.000 1.125 184 V CB 0.393 32.270 31.823 0.091 0.000 0.774 184 V HN 0.312 nan 8.190 nan 0.000 0.464 185 D N 0.949 121.315 120.400 -0.056 0.000 2.538 185 D HA 0.093 4.734 4.640 0.001 0.000 0.231 185 D C 0.260 176.548 176.300 -0.020 0.000 1.229 185 D CA -0.258 53.728 54.000 -0.023 0.000 0.828 185 D CB -0.581 40.219 40.800 -0.001 0.000 1.035 185 D HN 0.664 nan 8.370 nan 0.000 0.495 186 N N 0.095 118.770 118.700 -0.042 0.000 2.434 186 N HA 0.362 5.102 4.740 0.001 0.000 0.266 186 N C 1.296 176.807 175.510 0.002 0.000 1.223 186 N CA -0.135 52.912 53.050 -0.006 0.000 0.972 186 N CB 0.745 39.241 38.487 0.015 0.000 1.207 186 N HN -0.112 nan 8.380 nan 0.000 0.525 187 A N -0.037 122.795 122.820 0.020 0.000 1.948 187 A HA -0.053 4.267 4.320 0.001 0.000 0.220 187 A C 2.000 179.598 177.584 0.023 0.000 1.177 187 A CA 2.012 54.062 52.037 0.023 0.000 0.636 187 A CB -1.703 17.312 19.000 0.026 0.000 0.815 187 A HN 0.823 nan 8.150 nan 0.000 0.449 188 G N -0.755 108.056 108.800 0.019 0.000 2.402 188 G HA2 0.040 4.000 3.960 0.001 0.000 0.216 188 G HA3 0.040 4.000 3.960 0.001 0.000 0.216 188 G C 1.740 176.627 174.900 -0.022 0.000 1.162 188 G CA 1.364 46.474 45.100 0.017 0.000 0.777 188 G HN 0.797 nan 8.290 nan 0.000 0.539 189 A N 0.892 123.671 122.820 -0.068 0.000 1.898 189 A HA 0.025 4.346 4.320 0.001 0.000 0.216 189 A C 2.303 179.840 177.584 -0.078 0.000 1.181 189 A CA 1.890 53.853 52.037 -0.124 0.000 0.620 189 A CB -0.335 18.599 19.000 -0.109 0.000 0.819 189 A HN 0.362 nan 8.150 nan 0.000 0.442 190 K N -0.251 120.132 120.400 -0.029 0.000 2.057 190 K HA -0.076 4.244 4.320 0.001 0.000 0.207 190 K C 2.313 178.923 176.600 0.016 0.000 1.049 190 K CA 1.134 57.417 56.287 -0.006 0.000 0.931 190 K CB -0.332 32.174 32.500 0.010 0.000 0.714 190 K HN 0.441 nan 8.250 nan 0.000 0.440 191 A N 1.307 124.162 122.820 0.059 0.000 1.902 191 A HA -0.091 4.230 4.320 0.001 0.000 0.217 191 A C 2.439 180.090 177.584 0.112 0.000 1.181 191 A CA 1.927 54.064 52.037 0.168 0.000 0.623 191 A CB -1.204 17.942 19.000 0.243 0.000 0.818 191 A HN 0.425 nan 8.150 nan 0.000 0.443 192 G N -0.290 108.454 108.800 -0.092 0.000 2.421 192 G HA2 -0.151 3.809 3.960 0.001 0.000 0.216 192 G HA3 -0.151 3.809 3.960 0.001 0.000 0.216 192 G C 1.490 176.164 174.900 -0.377 0.000 1.171 192 G CA 1.244 46.016 45.100 -0.547 0.000 0.775 192 G HN 0.460 nan 8.290 nan 0.000 0.543 193 L N 0.850 121.958 121.223 -0.190 0.000 2.093 193 L HA 0.058 4.399 4.340 0.001 0.000 0.208 193 L C 2.921 179.752 176.870 -0.065 0.000 1.085 193 L CA 2.301 57.073 54.840 -0.113 0.000 0.755 193 L CB -0.909 41.114 42.059 -0.061 0.000 0.904 193 L HN 0.177 nan 8.230 nan 0.000 0.435 194 T N -0.641 113.898 114.554 -0.025 0.000 2.720 194 T HA -0.240 4.110 4.350 0.001 0.000 0.268 194 T C 1.644 176.358 174.700 0.022 0.000 1.037 194 T CA 1.938 64.046 62.100 0.014 0.000 1.144 194 T CB -0.531 68.371 68.868 0.057 0.000 0.864 194 T HN 0.363 nan 8.240 nan 0.000 0.444 195 F N 1.358 121.235 119.950 -0.122 0.000 2.102 195 F HA -0.066 4.461 4.527 0.001 0.000 0.298 195 F C 2.011 177.733 175.800 -0.129 0.000 1.105 195 F CA 0.884 58.810 58.000 -0.124 0.000 1.239 195 F CB -0.482 38.329 39.000 -0.315 0.000 0.991 195 F HN 0.039 nan 8.300 nan 0.000 0.474 196 L N -0.063 121.124 121.223 -0.060 0.000 2.012 196 L HA -0.180 4.161 4.340 0.001 0.000 0.210 196 L C 2.209 179.034 176.870 -0.075 0.000 1.073 196 L CA 1.755 56.556 54.840 -0.066 0.000 0.748 196 L CB -0.988 41.033 42.059 -0.062 0.000 0.891 196 L HN 0.050 nan 8.230 nan 0.000 0.431 197 V N -0.158 119.714 119.914 -0.070 0.000 2.490 197 V HA -0.260 3.861 4.120 0.001 0.000 0.250 197 V C 2.225 178.272 176.094 -0.078 0.000 1.061 197 V CA 1.771 64.035 62.300 -0.060 0.000 1.064 197 V CB -0.873 30.924 31.823 -0.042 0.000 0.670 197 V HN 0.463 nan 8.190 nan 0.000 0.461 198 D N 0.198 120.529 120.400 -0.116 0.000 2.117 198 D HA -0.101 4.539 4.640 0.001 0.000 0.198 198 D C 2.175 178.396 176.300 -0.132 0.000 0.982 198 D CA 1.076 54.995 54.000 -0.135 0.000 0.828 198 D CB -0.246 40.444 40.800 -0.182 0.000 0.967 198 D HN 0.328 nan 8.370 nan 0.000 0.464 199 L N 0.467 121.588 121.223 -0.169 0.000 2.081 199 L HA -0.181 4.159 4.340 0.001 0.000 0.212 199 L C 2.453 179.316 176.870 -0.011 0.000 1.080 199 L CA 0.856 55.684 54.840 -0.020 0.000 0.754 199 L CB -0.330 41.745 42.059 0.027 0.000 0.893 199 L HN 0.061 nan 8.230 nan 0.000 0.433 200 I N -0.676 119.867 120.570 -0.046 0.000 2.233 200 I HA -0.250 3.920 4.170 0.001 0.000 0.243 200 I C 2.567 178.634 176.117 -0.083 0.000 1.093 200 I CA 1.104 62.370 61.300 -0.057 0.000 1.380 200 I CB -0.315 37.653 38.000 -0.053 0.000 1.067 200 I HN 0.162 nan 8.210 nan 0.000 0.413 201 K N 1.137 121.488 120.400 -0.082 0.000 2.044 201 K HA -0.208 4.112 4.320 0.001 0.000 0.210 201 K C 1.325 177.854 176.600 -0.119 0.000 1.049 201 K CA 2.095 58.332 56.287 -0.083 0.000 0.927 201 K CB -0.385 32.075 32.500 -0.067 0.000 0.713 201 K HN 0.435 nan 8.250 nan 0.000 0.443 202 N N 0.571 119.169 118.700 -0.169 0.000 2.383 202 N HA 0.018 4.758 4.740 0.001 0.000 0.192 202 N C -0.741 174.454 175.510 -0.525 0.000 1.141 202 N CA 0.048 52.917 53.050 -0.301 0.000 0.851 202 N CB 0.312 38.634 38.487 -0.275 0.000 0.976 202 N HN 0.075 nan 8.380 nan 0.000 0.465 203 K N -0.280 119.928 120.400 -0.320 0.000 3.129 203 K HA -0.223 4.097 4.320 0.001 0.000 0.273 203 K C -0.402 176.059 176.600 -0.232 0.000 1.123 203 K CA 0.425 56.574 56.287 -0.230 0.000 0.800 203 K CB -1.628 30.769 32.500 -0.172 0.000 1.238 203 K HN 0.531 nan 8.250 nan 0.000 0.492 204 H N -0.925 118.143 119.070 -0.003 0.000 2.525 204 H HA 0.240 4.796 4.556 0.001 0.000 0.275 204 H C 0.905 176.253 175.328 0.034 0.000 0.984 204 H CA 0.687 56.748 56.048 0.021 0.000 1.264 204 H CB 0.274 30.053 29.762 0.030 0.000 1.432 204 H HN 0.274 nan 8.280 nan 0.000 0.549 205 M N 0.041 119.697 119.600 0.093 0.000 2.631 205 M HA 0.228 4.708 4.480 0.001 0.000 0.288 205 M C -0.551 175.739 176.300 -0.017 0.000 1.260 205 M CA -0.578 54.747 55.300 0.041 0.000 0.842 205 M CB 3.403 36.027 32.600 0.041 0.000 1.743 205 M HN -0.068 nan 8.290 nan 0.000 0.461 206 N N 0.262 118.939 118.700 -0.038 0.000 2.362 206 N HA 0.466 5.206 4.740 0.001 0.000 0.298 206 N C 0.071 175.540 175.510 -0.069 0.000 1.048 206 N CA 0.104 53.125 53.050 -0.048 0.000 0.858 206 N CB 2.133 40.597 38.487 -0.038 0.000 1.218 206 N HN 0.817 nan 8.380 nan 0.000 0.488 207 A N 2.868 125.652 122.820 -0.060 0.000 1.972 207 A HA -0.124 4.196 4.320 0.001 0.000 0.219 207 A C 1.100 178.647 177.584 -0.062 0.000 1.169 207 A CA 1.330 53.329 52.037 -0.063 0.000 0.635 207 A CB -0.112 18.859 19.000 -0.047 0.000 0.810 207 A HN 0.758 nan 8.150 nan 0.000 0.446 208 D N -0.111 120.259 120.400 -0.051 0.000 2.349 208 D HA 0.032 4.672 4.640 0.001 0.000 0.224 208 D C 0.089 176.360 176.300 -0.049 0.000 1.029 208 D CA 0.455 54.430 54.000 -0.042 0.000 0.879 208 D CB -0.378 40.405 40.800 -0.030 0.000 0.906 208 D HN 0.223 nan 8.370 nan 0.000 0.528 209 T N 2.596 117.106 114.554 -0.074 0.000 2.829 209 T HA 0.135 4.485 4.350 0.001 0.000 0.293 209 T C 0.273 174.912 174.700 -0.101 0.000 0.970 209 T CA -0.093 61.954 62.100 -0.089 0.000 1.168 209 T CB 0.705 69.497 68.868 -0.126 0.000 0.911 209 T HN 0.218 nan 8.240 nan 0.000 0.535 210 D N 1.608 121.968 120.400 -0.066 0.000 2.650 210 D HA 0.155 4.796 4.640 0.001 0.000 0.255 210 D C 1.022 177.297 176.300 -0.041 0.000 1.135 210 D CA -1.002 52.972 54.000 -0.043 0.000 1.099 210 D CB 0.118 40.923 40.800 0.008 0.000 1.273 210 D HN 0.325 nan 8.370 nan 0.000 0.628 211 Y N 0.440 120.673 120.300 -0.111 0.000 2.097 211 Y HA -0.227 4.323 4.550 0.001 0.000 0.282 211 Y C 2.604 178.490 175.900 -0.023 0.000 1.152 211 Y CA 3.335 61.376 58.100 -0.100 0.000 1.136 211 Y CB -0.300 38.129 38.460 -0.052 0.000 0.975 211 Y HN 0.452 nan 8.280 nan 0.000 0.498 212 S N -0.343 115.475 115.700 0.196 0.000 2.368 212 S HA -0.193 4.277 4.470 0.001 0.000 0.224 212 S C 2.021 176.643 174.600 0.037 0.000 1.029 212 S CA 1.488 59.772 58.200 0.140 0.000 0.988 212 S CB -1.041 62.241 63.200 0.137 0.000 0.838 212 S HN 0.522 nan 8.310 nan 0.000 0.462 213 I N 2.386 122.964 120.570 0.014 0.000 2.179 213 I HA -0.147 4.024 4.170 0.001 0.000 0.242 213 I C 3.120 179.226 176.117 -0.018 0.000 1.088 213 I CA 1.213 62.512 61.300 -0.002 0.000 1.357 213 I CB -0.683 37.310 38.000 -0.011 0.000 1.051 213 I HN 0.435 nan 8.210 nan 0.000 0.409 214 A N 0.189 122.972 122.820 -0.061 0.000 1.902 214 A HA -0.282 4.038 4.320 0.001 0.000 0.217 214 A C 2.307 179.863 177.584 -0.047 0.000 1.181 214 A CA 2.054 54.054 52.037 -0.061 0.000 0.623 214 A CB -0.691 18.236 19.000 -0.122 0.000 0.818 214 A HN 0.516 nan 8.150 nan 0.000 0.443 215 E N -0.164 119.958 120.200 -0.130 0.000 2.051 215 E HA -0.129 4.221 4.350 0.001 0.000 0.192 215 E C 2.161 178.782 176.600 0.035 0.000 0.991 215 E CA 1.109 57.459 56.400 -0.083 0.000 0.799 215 E CB -0.291 29.334 29.700 -0.124 0.000 0.748 215 E HN 0.514 nan 8.360 nan 0.000 0.449 216 A N 1.189 124.026 122.820 0.030 0.000 1.908 216 A HA -0.143 4.178 4.320 0.001 0.000 0.218 216 A C 2.387 179.997 177.584 0.043 0.000 1.181 216 A CA 1.965 54.026 52.037 0.040 0.000 0.627 216 A CB -0.810 18.210 19.000 0.033 0.000 0.818 216 A HN 0.439 nan 8.150 nan 0.000 0.445 217 A N -1.367 121.485 122.820 0.052 0.000 1.873 217 A HA -0.021 4.300 4.320 0.001 0.000 0.215 217 A C 2.082 179.714 177.584 0.079 0.000 1.186 217 A CA 1.594 53.665 52.037 0.058 0.000 0.616 217 A CB -0.690 18.349 19.000 0.064 0.000 0.823 217 A HN 0.649 nan 8.150 nan 0.000 0.442 218 F N 1.234 121.171 119.950 -0.022 0.000 2.163 218 F HA -0.120 4.407 4.527 0.001 0.000 0.297 218 F C 1.816 177.596 175.800 -0.033 0.000 1.094 218 F CA 1.851 59.837 58.000 -0.023 0.000 1.290 218 F CB -0.144 38.834 39.000 -0.037 0.000 1.017 218 F HN 0.201 nan 8.300 nan 0.000 0.483 219 N N 0.449 119.205 118.700 0.093 0.000 2.396 219 N HA -0.095 4.645 4.740 0.001 0.000 0.180 219 N C 1.307 176.782 175.510 -0.059 0.000 1.028 219 N CA 0.982 54.036 53.050 0.007 0.000 0.893 219 N CB -0.266 38.259 38.487 0.063 0.000 0.967 219 N HN 0.357 nan 8.380 nan 0.000 0.440 220 K N -0.580 119.790 120.400 -0.051 0.000 2.426 220 K HA 0.174 4.495 4.320 0.001 0.000 0.193 220 K C 0.640 177.186 176.600 -0.090 0.000 1.028 220 K CA 0.360 56.616 56.287 -0.052 0.000 1.047 220 K CB 0.408 32.895 32.500 -0.021 0.000 0.821 220 K HN 0.163 nan 8.250 nan 0.000 0.513 221 G N 1.931 110.632 108.800 -0.165 0.000 2.137 221 G HA2 -0.285 3.676 3.960 0.001 0.000 0.237 221 G HA3 -0.285 3.676 3.960 0.001 0.000 0.237 221 G C 0.387 175.219 174.900 -0.114 0.000 1.002 221 G CA 0.419 45.403 45.100 -0.193 0.000 0.702 221 G HN 0.442 nan 8.290 nan 0.000 0.515 222 E N -0.897 119.261 120.200 -0.070 0.000 2.318 222 E HA 0.131 4.481 4.350 0.001 0.000 0.193 222 E C 1.093 177.697 176.600 0.007 0.000 0.998 222 E CA 1.011 57.399 56.400 -0.020 0.000 0.859 222 E CB 0.408 30.108 29.700 -0.001 0.000 0.812 222 E HN 0.330 nan 8.360 nan 0.000 0.492 223 T N -1.266 113.300 114.554 0.021 0.000 2.876 223 T HA 0.474 4.825 4.350 0.001 0.000 0.289 223 T C 0.320 175.089 174.700 0.114 0.000 1.014 223 T CA -0.263 61.892 62.100 0.093 0.000 0.986 223 T CB 1.685 70.650 68.868 0.161 0.000 1.021 223 T HN -0.003 nan 8.240 nan 0.000 0.458 224 A N 4.312 127.216 122.820 0.141 0.000 2.067 224 A HA 0.414 4.734 4.320 0.001 0.000 0.217 224 A C 0.765 178.567 177.584 0.363 0.000 1.156 224 A CA 0.786 52.922 52.037 0.166 0.000 0.683 224 A CB -0.176 18.895 19.000 0.119 0.000 0.808 224 A HN 0.739 nan 8.150 nan 0.000 0.455 225 M N -2.214 117.612 119.600 0.377 0.000 2.575 225 M HA 0.461 4.941 4.480 0.001 0.000 0.284 225 M C -0.652 175.746 176.300 0.165 0.000 1.253 225 M CA -0.258 55.228 55.300 0.309 0.000 0.861 225 M CB 2.518 35.193 32.600 0.126 0.000 1.733 225 M HN 0.057 nan 8.290 nan 0.000 0.462 226 T N 0.929 115.389 114.554 -0.156 0.000 2.812 226 T HA 0.808 5.159 4.350 0.001 0.000 0.294 226 T C -1.948 172.651 174.700 -0.168 0.000 1.159 226 T CA -0.548 61.457 62.100 -0.158 0.000 1.008 226 T CB 1.484 70.145 68.868 -0.346 0.000 1.289 226 T HN 0.578 nan 8.240 nan 0.000 0.514 227 I N 3.373 123.909 120.570 -0.057 0.000 2.447 227 I HA 0.550 4.721 4.170 0.001 0.000 0.287 227 I C -0.226 175.993 176.117 0.170 0.000 1.023 227 I CA -0.725 60.548 61.300 -0.045 0.000 1.083 227 I CB 1.713 39.574 38.000 -0.232 0.000 1.245 227 I HN 0.502 nan 8.210 nan 0.000 0.434 228 N N 2.882 121.632 118.700 0.082 0.000 3.179 228 N HA 0.522 5.263 4.740 0.001 0.000 0.250 228 N C -1.009 174.353 175.510 -0.248 0.000 1.507 228 N CA -0.363 52.756 53.050 0.115 0.000 0.883 228 N CB 2.408 40.900 38.487 0.008 0.000 1.435 228 N HN 0.650 nan 8.380 nan 0.000 0.532 229 G N 0.042 108.335 108.800 -0.845 0.000 2.601 229 G HA2 0.492 4.452 3.960 0.001 0.000 0.317 229 G HA3 0.492 4.452 3.960 0.001 0.000 0.317 229 G C -1.906 171.906 174.900 -1.814 0.000 1.246 229 G CA -1.116 43.076 45.100 -1.513 0.000 1.012 229 G HN 0.307 nan 8.290 nan 0.000 0.494 230 P HA -0.165 nan 4.420 nan 0.000 0.216 230 P C 1.564 178.044 177.300 -1.366 0.000 1.154 230 P CA 2.088 63.872 63.100 -2.193 0.000 0.865 230 P CB -0.087 30.893 31.700 -1.201 0.000 0.789 231 W N 0.409 121.401 121.300 -0.513 0.000 2.313 231 W HA -0.171 4.489 4.660 0.001 0.000 0.293 231 W C 2.013 178.439 176.519 -0.154 0.000 1.216 231 W CA 1.242 58.437 57.345 -0.250 0.000 1.223 231 W CB -2.094 27.274 29.460 -0.153 0.000 1.138 231 W HN -0.114 nan 8.180 nan 0.000 0.535 232 A N 0.218 122.736 122.820 -0.504 0.000 2.067 232 A HA -0.079 4.242 4.320 0.001 0.000 0.219 232 A C 1.659 179.246 177.584 0.005 0.000 1.158 232 A CA 1.232 53.194 52.037 -0.126 0.000 0.661 232 A CB -1.269 17.596 19.000 -0.225 0.000 0.801 232 A HN 0.481 nan 8.150 nan 0.000 0.452 233 W N -0.067 121.171 121.300 -0.102 0.000 2.402 233 W HA -0.053 4.608 4.660 0.001 0.000 0.286 233 W C 2.715 179.228 176.519 -0.010 0.000 1.221 233 W CA 0.553 57.851 57.345 -0.078 0.000 1.257 233 W CB -1.487 27.988 29.460 0.025 0.000 1.120 233 W HN 0.420 nan 8.180 nan 0.000 0.551 234 S N 0.759 116.598 115.700 0.231 0.000 2.368 234 S HA -0.186 4.284 4.470 0.001 0.000 0.225 234 S C 1.726 176.396 174.600 0.115 0.000 1.030 234 S CA 1.759 60.055 58.200 0.161 0.000 0.999 234 S CB -0.267 63.000 63.200 0.111 0.000 0.844 234 S HN 0.136 nan 8.310 nan 0.000 0.459 235 N N 1.250 120.011 118.700 0.100 0.000 2.270 235 N HA 0.093 4.833 4.740 0.001 0.000 0.181 235 N C 1.652 177.196 175.510 0.058 0.000 1.016 235 N CA 1.084 54.182 53.050 0.079 0.000 0.870 235 N CB -0.409 38.134 38.487 0.093 0.000 0.979 235 N HN 0.501 nan 8.380 nan 0.000 0.431 236 I N 0.704 121.288 120.570 0.024 0.000 2.353 236 I HA -0.185 3.986 4.170 0.001 0.000 0.248 236 I C 1.428 177.568 176.117 0.037 0.000 1.119 236 I CA 0.869 62.133 61.300 -0.060 0.000 1.417 236 I CB -0.218 37.530 38.000 -0.420 0.000 1.078 236 I HN -0.051 nan 8.210 nan 0.000 0.421 237 D N 1.000 121.476 120.400 0.127 0.000 2.116 237 D HA -0.166 4.474 4.640 0.001 0.000 0.193 237 D C 2.213 178.578 176.300 0.109 0.000 0.998 237 D CA 1.904 56.013 54.000 0.182 0.000 0.836 237 D CB -0.491 40.413 40.800 0.174 0.000 0.951 237 D HN 0.268 nan 8.370 nan 0.000 0.449 238 T N 0.112 114.715 114.554 0.082 0.000 2.833 238 T HA -0.141 4.210 4.350 0.001 0.000 0.269 238 T C 2.014 176.742 174.700 0.046 0.000 1.054 238 T CA 1.590 63.725 62.100 0.058 0.000 1.135 238 T CB -0.287 68.612 68.868 0.051 0.000 0.869 238 T HN 0.226 nan 8.240 nan 0.000 0.466 239 S N 0.547 116.273 115.700 0.044 0.000 2.515 239 S HA 0.030 4.501 4.470 0.001 0.000 0.231 239 S C 0.983 175.595 174.600 0.020 0.000 0.987 239 S CA 0.534 58.748 58.200 0.025 0.000 0.936 239 S CB -0.294 62.914 63.200 0.013 0.000 0.766 239 S HN 0.283 nan 8.310 nan 0.000 0.528 240 K N -0.017 120.409 120.400 0.044 0.000 3.160 240 K HA -0.088 4.232 4.320 0.001 0.000 0.280 240 K C -0.559 176.058 176.600 0.028 0.000 1.154 240 K CA 0.733 57.044 56.287 0.039 0.000 0.822 240 K CB -2.595 29.916 32.500 0.018 0.000 1.239 240 K HN 0.422 nan 8.250 nan 0.000 0.489 241 V N 1.327 121.263 119.914 0.037 0.000 2.614 241 V HA 0.071 4.192 4.120 0.001 0.000 0.291 241 V C 0.846 176.998 176.094 0.096 0.000 1.049 241 V CA -0.556 61.743 62.300 -0.002 0.000 1.038 241 V CB 1.276 33.029 31.823 -0.118 0.000 0.980 241 V HN 0.310 nan 8.190 nan 0.000 0.481 242 N N 4.831 123.536 118.700 0.009 0.000 2.448 242 N HA 0.188 4.928 4.740 0.001 0.000 0.250 242 N C -0.911 174.582 175.510 -0.028 0.000 1.136 242 N CA -0.172 52.862 53.050 -0.027 0.000 0.953 242 N CB -0.141 38.309 38.487 -0.061 0.000 1.251 242 N HN 0.614 nan 8.380 nan 0.000 0.502 243 Y N 0.383 120.588 120.300 -0.159 0.000 2.536 243 Y HA 0.852 5.403 4.550 0.001 0.000 0.347 243 Y C 0.075 175.746 175.900 -0.382 0.000 1.000 243 Y CA -1.525 56.447 58.100 -0.214 0.000 1.051 243 Y CB 0.949 39.431 38.460 0.036 0.000 1.259 243 Y HN 0.271 nan 8.280 nan 0.000 0.468 244 G N 1.182 109.580 108.800 -0.669 0.000 2.482 244 G HA2 0.566 4.527 3.960 0.001 0.000 0.317 244 G HA3 0.566 4.527 3.960 0.001 0.000 0.317 244 G C -1.960 172.788 174.900 -0.252 0.000 1.241 244 G CA -1.117 43.595 45.100 -0.646 0.000 0.967 244 G HN 0.665 nan 8.290 nan 0.000 0.482 245 V N 1.169 121.008 119.914 -0.126 0.000 2.347 245 V HA 0.667 4.787 4.120 0.001 0.000 0.280 245 V C 0.431 176.564 176.094 0.064 0.000 1.021 245 V CA -0.347 61.951 62.300 -0.003 0.000 0.847 245 V CB 0.915 32.651 31.823 -0.144 0.000 0.990 245 V HN 0.871 nan 8.190 nan 0.000 0.444 246 T N 3.168 117.801 114.554 0.131 0.000 2.831 246 T HA 0.526 4.877 4.350 0.001 0.000 0.287 246 T C -0.644 174.067 174.700 0.019 0.000 1.070 246 T CA -0.384 61.765 62.100 0.081 0.000 1.010 246 T CB 2.008 70.932 68.868 0.094 0.000 1.264 246 T HN 0.442 nan 8.240 nan 0.000 0.532 247 V N 3.098 123.001 119.914 -0.018 0.000 2.763 247 V HA 0.338 4.458 4.120 0.001 0.000 0.306 247 V C 0.256 176.310 176.094 -0.067 0.000 1.059 247 V CA -0.039 62.241 62.300 -0.034 0.000 1.138 247 V CB -0.024 31.775 31.823 -0.040 0.000 0.940 247 V HN 0.718 nan 8.190 nan 0.000 0.489 248 L N 8.066 129.254 121.223 -0.059 0.000 2.467 248 L HA 0.282 4.622 4.340 0.001 0.000 0.270 248 L C -1.968 174.829 176.870 -0.121 0.000 1.205 248 L CA -1.417 53.364 54.840 -0.097 0.000 0.828 248 L CB 0.290 42.332 42.059 -0.028 0.000 1.101 248 L HN 0.554 nan 8.230 nan 0.000 0.479 249 P HA 0.080 nan 4.420 nan 0.000 0.271 249 P C -0.567 176.748 177.300 0.025 0.000 1.218 249 P CA -0.476 62.463 63.100 -0.268 0.000 0.780 249 P CB 0.475 31.759 31.700 -0.694 0.000 0.901 250 T N -0.712 113.882 114.554 0.066 0.000 2.868 250 T HA 0.448 4.798 4.350 0.001 0.000 0.292 250 T C -0.644 174.245 174.700 0.314 0.000 1.028 250 T CA -0.252 61.936 62.100 0.148 0.000 1.059 250 T CB 0.101 68.994 68.868 0.041 0.000 0.991 250 T HN 0.209 nan 8.240 nan 0.000 0.531 251 F N 2.040 122.012 119.950 0.037 0.000 2.507 251 F HA 0.436 4.963 4.527 0.001 0.000 0.328 251 F C 0.417 176.145 175.800 -0.121 0.000 1.136 251 F CA -1.377 56.559 58.000 -0.105 0.000 0.930 251 F CB 1.187 40.021 39.000 -0.276 0.000 1.166 251 F HN 0.859 nan 8.300 nan 0.000 0.436 252 K N 4.545 124.491 120.400 -0.757 0.000 3.071 252 K HA -0.226 4.094 4.320 0.001 0.000 0.262 252 K C 0.941 177.378 176.600 -0.272 0.000 0.977 252 K CA 0.857 56.800 56.287 -0.574 0.000 0.721 252 K CB -1.926 30.123 32.500 -0.752 0.000 1.293 252 K HN 1.446 nan 8.250 nan 0.000 0.475 253 G N -0.317 108.384 108.800 -0.165 0.000 2.212 253 G HA2 -0.362 3.598 3.960 0.001 0.000 0.266 253 G HA3 -0.362 3.598 3.960 0.001 0.000 0.266 253 G C 0.022 174.885 174.900 -0.062 0.000 0.978 253 G CA 0.937 45.982 45.100 -0.092 0.000 0.632 253 G HN 0.485 nan 8.290 nan 0.000 0.537 254 Q N 1.067 120.831 119.800 -0.060 0.000 2.235 254 Q HA 0.544 4.885 4.340 0.001 0.000 0.256 254 Q C -2.340 173.671 176.000 0.018 0.000 0.951 254 Q CA -2.063 53.726 55.803 -0.025 0.000 0.890 254 Q CB 2.279 30.998 28.738 -0.031 0.000 1.279 254 Q HN 0.249 nan 8.270 nan 0.000 0.444 255 P HA 0.028 nan 4.420 nan 0.000 0.275 255 P C -0.785 176.541 177.300 0.044 0.000 1.228 255 P CA -0.205 62.913 63.100 0.031 0.000 0.786 255 P CB 0.919 32.625 31.700 0.009 0.000 0.927 256 S N 1.850 117.598 115.700 0.079 0.000 2.560 256 S HA 0.067 4.538 4.470 0.001 0.000 0.284 256 S C 0.441 175.043 174.600 0.004 0.000 1.327 256 S CA -0.049 58.190 58.200 0.064 0.000 1.055 256 S CB -0.158 63.134 63.200 0.154 0.000 0.868 256 S HN 0.292 nan 8.310 nan 0.000 0.506 257 K N 3.569 123.935 120.400 -0.056 0.000 2.499 257 K HA 0.266 4.586 4.320 0.001 0.000 0.215 257 K C -2.645 173.929 176.600 -0.042 0.000 1.041 257 K CA -1.737 54.516 56.287 -0.056 0.000 1.031 257 K CB 0.985 33.427 32.500 -0.097 0.000 1.479 257 K HN 0.396 nan 8.250 nan 0.000 0.518 258 P HA 0.052 nan 4.420 nan 0.000 0.275 258 P C -0.499 176.907 177.300 0.176 0.000 1.227 258 P CA -0.362 62.780 63.100 0.069 0.000 0.781 258 P CB 0.502 32.213 31.700 0.018 0.000 0.906 259 F N 1.960 122.086 119.950 0.293 0.000 2.541 259 F HA 0.004 4.531 4.527 0.001 0.000 0.378 259 F C 0.828 176.811 175.800 0.305 0.000 1.068 259 F CA 0.196 58.395 58.000 0.332 0.000 1.199 259 F CB 0.075 39.324 39.000 0.414 0.000 1.091 259 F HN 0.028 nan 8.300 nan 0.000 0.555 260 V N 4.504 124.749 119.914 0.551 0.000 2.508 260 V HA 0.431 4.551 4.120 0.001 0.000 0.281 260 V C 0.703 177.112 176.094 0.524 0.000 1.041 260 V CA -0.380 62.190 62.300 0.450 0.000 1.016 260 V CB 0.570 32.634 31.823 0.402 0.000 0.984 260 V HN 0.867 nan 8.190 nan 0.000 0.478 261 G N 3.392 112.469 108.800 0.462 0.000 2.420 261 G HA2 0.596 4.557 3.960 0.001 0.000 0.331 261 G HA3 0.596 4.557 3.960 0.001 0.000 0.331 261 G C -1.130 173.980 174.900 0.350 0.000 1.168 261 G CA -0.498 44.869 45.100 0.445 0.000 0.936 261 G HN 0.542 nan 8.290 nan 0.000 0.479 262 V N 3.076 123.231 119.914 0.401 0.000 2.326 262 V HA 0.213 4.334 4.120 0.001 0.000 0.281 262 V C 0.110 176.291 176.094 0.144 0.000 1.015 262 V CA -0.756 61.640 62.300 0.160 0.000 0.823 262 V CB 1.088 32.858 31.823 -0.090 0.000 1.009 262 V HN 0.726 nan 8.190 nan 0.000 0.436 263 L N 5.740 127.021 121.223 0.097 0.000 2.559 263 L HA 0.273 4.613 4.340 0.001 0.000 0.274 263 L C 0.367 177.266 176.870 0.048 0.000 1.205 263 L CA 1.419 56.308 54.840 0.081 0.000 0.907 263 L CB 0.470 42.589 42.059 0.100 0.000 1.153 263 L HN 0.736 nan 8.230 nan 0.000 0.490 264 S N 3.278 118.978 115.700 -0.000 0.000 2.570 264 S HA 0.893 5.363 4.470 0.001 0.000 0.286 264 S C -0.848 173.542 174.600 -0.351 0.000 1.099 264 S CA -0.347 57.700 58.200 -0.255 0.000 0.913 264 S CB 1.887 64.730 63.200 -0.596 0.000 1.085 264 S HN 0.893 nan 8.310 nan 0.000 0.480 265 A N 1.351 123.889 122.820 -0.470 0.000 2.310 265 A HA 0.769 5.089 4.320 0.001 0.000 0.304 265 A C 0.167 177.615 177.584 -0.227 0.000 1.231 265 A CA -0.589 51.063 52.037 -0.641 0.000 0.799 265 A CB 0.419 18.829 19.000 -0.983 0.000 1.162 265 A HN 0.899 nan 8.150 nan 0.000 0.486 266 G N 1.172 109.976 108.800 0.006 0.000 2.410 266 G HA2 0.582 4.542 3.960 0.001 0.000 0.330 266 G HA3 0.582 4.542 3.960 0.001 0.000 0.330 266 G C -0.490 174.455 174.900 0.075 0.000 1.142 266 G CA -0.634 44.562 45.100 0.159 0.000 0.902 266 G HN 0.678 nan 8.290 nan 0.000 0.491 267 I N 1.632 122.264 120.570 0.103 0.000 2.336 267 I HA 0.115 4.285 4.170 0.001 0.000 0.292 267 I C 0.127 176.300 176.117 0.093 0.000 0.991 267 I CA -0.944 60.404 61.300 0.080 0.000 1.227 267 I CB 1.469 39.528 38.000 0.099 0.000 1.366 267 I HN 0.336 nan 8.210 nan 0.000 0.466 268 N N 4.578 123.329 118.700 0.085 0.000 2.411 268 N HA 0.001 4.742 4.740 0.001 0.000 0.261 268 N C 0.894 176.439 175.510 0.059 0.000 1.248 268 N CA 0.348 53.472 53.050 0.124 0.000 0.885 268 N CB 1.444 39.973 38.487 0.071 0.000 1.062 268 N HN 0.798 nan 8.380 nan 0.000 0.471 269 A N 4.073 126.926 122.820 0.055 0.000 1.978 269 A HA -0.100 4.221 4.320 0.001 0.000 0.220 269 A C 1.840 179.420 177.584 -0.007 0.000 1.170 269 A CA 1.880 53.932 52.037 0.025 0.000 0.636 269 A CB -0.499 18.513 19.000 0.020 0.000 0.810 269 A HN 0.757 nan 8.150 nan 0.000 0.448 270 A N -0.790 122.009 122.820 -0.035 0.000 2.251 270 A HA 0.339 4.659 4.320 0.001 0.000 0.209 270 A C 1.352 178.909 177.584 -0.045 0.000 1.187 270 A CA 0.692 52.698 52.037 -0.052 0.000 0.823 270 A CB -0.499 18.447 19.000 -0.091 0.000 0.846 270 A HN 0.444 nan 8.150 nan 0.000 0.486 271 S N 1.135 116.817 115.700 -0.031 0.000 2.533 271 S HA 0.262 4.733 4.470 0.001 0.000 0.282 271 S C -1.384 173.206 174.600 -0.016 0.000 1.304 271 S CA -0.872 57.311 58.200 -0.028 0.000 1.063 271 S CB 0.734 63.924 63.200 -0.017 0.000 0.881 271 S HN 0.301 nan 8.310 nan 0.000 0.493 272 P HA 0.186 nan 4.420 nan 0.000 0.257 272 P C -0.401 176.899 177.300 -0.000 0.000 1.281 272 P CA 0.138 63.233 63.100 -0.009 0.000 0.826 272 P CB 0.004 31.696 31.700 -0.014 0.000 1.237 273 N N 0.313 119.013 118.700 -0.000 0.000 2.480 273 N HA 0.130 4.870 4.740 0.001 0.000 0.281 273 N C 0.882 176.404 175.510 0.020 0.000 1.381 273 N CA -0.217 52.839 53.050 0.010 0.000 0.903 273 N CB 0.587 39.072 38.487 -0.003 0.000 1.274 273 N HN 0.173 nan 8.380 nan 0.000 0.505 274 K N 0.622 121.038 120.400 0.027 0.000 2.211 274 K HA -0.080 4.241 4.320 0.001 0.000 0.203 274 K C 1.002 177.636 176.600 0.056 0.000 1.050 274 K CA 1.136 57.448 56.287 0.041 0.000 0.945 274 K CB 0.399 32.923 32.500 0.041 0.000 0.732 274 K HN 0.150 nan 8.250 nan 0.000 0.451 275 E N 1.073 121.306 120.200 0.055 0.000 2.046 275 E HA -0.078 4.273 4.350 0.001 0.000 0.190 275 E C 1.920 178.575 176.600 0.092 0.000 0.982 275 E CA 0.759 57.200 56.400 0.067 0.000 0.800 275 E CB -0.165 29.570 29.700 0.059 0.000 0.756 275 E HN 0.124 nan 8.360 nan 0.000 0.449 276 L N 0.585 121.870 121.223 0.102 0.000 2.079 276 L HA -0.217 4.124 4.340 0.001 0.000 0.210 276 L C 2.447 179.364 176.870 0.079 0.000 1.081 276 L CA 1.160 56.098 54.840 0.164 0.000 0.752 276 L CB -0.664 41.488 42.059 0.156 0.000 0.896 276 L HN 0.171 nan 8.230 nan 0.000 0.433 277 A N 0.420 123.257 122.820 0.027 0.000 1.877 277 A HA -0.260 4.061 4.320 0.001 0.000 0.216 277 A C 2.427 180.027 177.584 0.027 0.000 1.186 277 A CA 2.041 54.081 52.037 0.005 0.000 0.620 277 A CB -0.477 18.536 19.000 0.022 0.000 0.822 277 A HN 0.362 nan 8.150 nan 0.000 0.443 278 K N -0.600 119.828 120.400 0.046 0.000 2.032 278 K HA -0.203 4.117 4.320 0.001 0.000 0.209 278 K C 1.998 178.564 176.600 -0.057 0.000 1.048 278 K CA 1.600 57.889 56.287 0.003 0.000 0.927 278 K CB -0.164 32.383 32.500 0.078 0.000 0.712 278 K HN 0.399 nan 8.250 nan 0.000 0.441 279 E N 0.199 120.439 120.200 0.067 0.000 2.038 279 E HA -0.213 4.138 4.350 0.001 0.000 0.195 279 E C 1.840 178.568 176.600 0.213 0.000 1.000 279 E CA 1.337 57.844 56.400 0.178 0.000 0.803 279 E CB -0.348 29.551 29.700 0.333 0.000 0.750 279 E HN 0.369 nan 8.360 nan 0.000 0.448 280 F N 1.270 121.138 119.950 -0.136 0.000 2.095 280 F HA -0.195 4.332 4.527 0.001 0.000 0.298 280 F C 2.219 177.934 175.800 -0.141 0.000 1.104 280 F CA 1.313 59.066 58.000 -0.411 0.000 1.232 280 F CB -0.290 38.168 39.000 -0.902 0.000 0.987 280 F HN -0.058 nan 8.300 nan 0.000 0.475 281 L N -0.229 120.862 121.223 -0.219 0.000 2.044 281 L HA -0.142 4.198 4.340 0.001 0.000 0.205 281 L C 2.464 179.090 176.870 -0.405 0.000 1.075 281 L CA 1.567 56.173 54.840 -0.389 0.000 0.747 281 L CB -0.720 40.992 42.059 -0.578 0.000 0.903 281 L HN 0.146 nan 8.230 nan 0.000 0.435 282 E N 0.014 119.929 120.200 -0.475 0.000 2.028 282 E HA -0.130 4.220 4.350 0.001 0.000 0.190 282 E C 1.493 178.054 176.600 -0.066 0.000 0.984 282 E CA 0.987 57.101 56.400 -0.476 0.000 0.800 282 E CB 0.015 29.221 29.700 -0.823 0.000 0.758 282 E HN 0.428 nan 8.360 nan 0.000 0.448 283 N N -0.976 117.710 118.700 -0.022 0.000 2.299 283 N HA 0.024 4.765 4.740 0.001 0.000 0.187 283 N C 0.602 176.034 175.510 -0.131 0.000 1.099 283 N CA 0.584 53.642 53.050 0.012 0.000 0.867 283 N CB 0.402 38.941 38.487 0.087 0.000 0.974 283 N HN 0.191 nan 8.380 nan 0.000 0.477 284 Y N -0.597 119.616 120.300 -0.144 0.000 2.817 284 Y HA 0.210 4.761 4.550 0.001 0.000 0.257 284 Y C 1.720 177.432 175.900 -0.313 0.000 1.055 284 Y CA -0.272 57.710 58.100 -0.197 0.000 1.319 284 Y CB -0.363 37.980 38.460 -0.196 0.000 1.481 284 Y HN -0.143 nan 8.280 nan 0.000 0.471 285 L N 0.422 121.425 121.223 -0.366 0.000 2.007 285 L HA 0.027 4.368 4.340 0.001 0.000 0.205 285 L C 0.831 177.629 176.870 -0.121 0.000 1.073 285 L CA 1.841 56.501 54.840 -0.300 0.000 0.744 285 L CB -0.747 41.098 42.059 -0.356 0.000 0.898 285 L HN 0.131 nan 8.230 nan 0.000 0.435 286 L N 1.448 122.637 121.223 -0.056 0.000 2.650 286 L HA 0.155 4.495 4.340 0.001 0.000 0.239 286 L C -0.064 176.824 176.870 0.031 0.000 1.412 286 L CA -0.043 54.823 54.840 0.045 0.000 1.219 286 L CB -1.434 40.758 42.059 0.221 0.000 1.534 286 L HN 0.447 nan 8.230 nan 0.000 0.430 287 T N -6.364 108.158 114.554 -0.053 0.000 2.865 287 T HA 0.295 4.645 4.350 0.001 0.000 0.294 287 T C 0.591 175.193 174.700 -0.163 0.000 1.119 287 T CA -0.882 61.170 62.100 -0.079 0.000 1.007 287 T CB 1.918 70.726 68.868 -0.100 0.000 1.225 287 T HN -0.040 nan 8.240 nan 0.000 0.515 288 D N 0.636 120.939 120.400 -0.160 0.000 2.123 288 D HA -0.079 4.561 4.640 0.001 0.000 0.196 288 D C 1.768 177.800 176.300 -0.446 0.000 0.992 288 D CA 1.581 55.398 54.000 -0.306 0.000 0.833 288 D CB -0.088 40.665 40.800 -0.078 0.000 0.954 288 D HN 0.741 nan 8.370 nan 0.000 0.455 289 E N 0.164 120.223 120.200 -0.235 0.000 2.106 289 E HA -0.004 4.346 4.350 0.001 0.000 0.192 289 E C 2.200 178.695 176.600 -0.175 0.000 0.984 289 E CA 1.125 57.419 56.400 -0.176 0.000 0.806 289 E CB -0.559 29.080 29.700 -0.101 0.000 0.750 289 E HN 0.302 nan 8.360 nan 0.000 0.458 290 G N 0.817 109.516 108.800 -0.168 0.000 2.414 290 G HA2 -0.202 3.759 3.960 0.001 0.000 0.215 290 G HA3 -0.202 3.759 3.960 0.001 0.000 0.215 290 G C 1.529 176.343 174.900 -0.143 0.000 1.188 290 G CA 0.481 45.506 45.100 -0.125 0.000 0.783 290 G HN 0.129 nan 8.290 nan 0.000 0.537 291 L N 0.287 121.378 121.223 -0.220 0.000 2.141 291 L HA -0.022 4.319 4.340 0.001 0.000 0.209 291 L C 2.724 179.462 176.870 -0.221 0.000 1.094 291 L CA 1.311 56.038 54.840 -0.188 0.000 0.763 291 L CB -0.314 41.646 42.059 -0.166 0.000 0.908 291 L HN 0.390 nan 8.230 nan 0.000 0.437 292 E N 0.624 120.546 120.200 -0.465 0.000 2.077 292 E HA -0.240 4.110 4.350 0.001 0.000 0.193 292 E C 2.245 178.830 176.600 -0.026 0.000 0.989 292 E CA 1.206 57.480 56.400 -0.211 0.000 0.800 292 E CB 0.025 29.585 29.700 -0.234 0.000 0.746 292 E HN 0.440 nan 8.360 nan 0.000 0.452 293 A N 0.482 123.270 122.820 -0.053 0.000 1.902 293 A HA -0.143 4.177 4.320 0.001 0.000 0.217 293 A C 2.384 179.972 177.584 0.006 0.000 1.181 293 A CA 1.598 53.631 52.037 -0.006 0.000 0.623 293 A CB -0.614 18.386 19.000 -0.001 0.000 0.818 293 A HN 0.237 nan 8.150 nan 0.000 0.443 294 V N 0.327 120.240 119.914 -0.001 0.000 2.379 294 V HA -0.205 3.916 4.120 0.001 0.000 0.245 294 V C 2.341 178.454 176.094 0.032 0.000 1.044 294 V CA 2.168 64.470 62.300 0.002 0.000 1.036 294 V CB -1.082 30.738 31.823 -0.005 0.000 0.664 294 V HN 0.739 nan 8.190 nan 0.000 0.453 295 N N 0.269 119.016 118.700 0.080 0.000 2.166 295 N HA -0.173 4.567 4.740 0.001 0.000 0.186 295 N C 1.810 177.393 175.510 0.122 0.000 1.019 295 N CA 1.271 54.402 53.050 0.135 0.000 0.856 295 N CB -0.130 38.510 38.487 0.253 0.000 0.993 295 N HN 0.386 nan 8.380 nan 0.000 0.426 296 K N -0.155 120.307 120.400 0.104 0.000 2.103 296 K HA -0.165 4.155 4.320 0.001 0.000 0.207 296 K C 1.300 177.934 176.600 0.056 0.000 1.048 296 K CA 1.357 57.695 56.287 0.086 0.000 0.930 296 K CB -0.133 32.408 32.500 0.068 0.000 0.716 296 K HN 0.306 nan 8.250 nan 0.000 0.444 297 D N 0.527 120.941 120.400 0.023 0.000 2.087 297 D HA -0.058 4.583 4.640 0.001 0.000 0.201 297 D C -0.064 176.232 176.300 -0.007 0.000 0.980 297 D CA 1.351 55.338 54.000 -0.021 0.000 0.849 297 D CB 0.401 41.152 40.800 -0.081 0.000 1.001 297 D HN -0.164 nan 8.370 nan 0.000 0.452 298 K N 0.442 120.844 120.400 0.004 0.000 2.507 298 K HA 0.392 4.713 4.320 0.001 0.000 0.251 298 K C -2.653 173.985 176.600 0.063 0.000 0.943 298 K CA -2.177 54.134 56.287 0.040 0.000 0.794 298 K CB 1.946 34.462 32.500 0.027 0.000 1.188 298 K HN -0.017 nan 8.250 nan 0.000 0.428 299 P HA 0.077 nan 4.420 nan 0.000 0.262 299 P C 0.593 177.893 177.300 -0.001 0.000 1.182 299 P CA 0.076 63.211 63.100 0.057 0.000 0.761 299 P CB 0.552 32.291 31.700 0.064 0.000 0.795 300 L N 1.988 123.248 121.223 0.063 0.000 2.418 300 L HA 0.159 4.499 4.340 0.001 0.000 0.218 300 L C 1.576 178.478 176.870 0.054 0.000 1.125 300 L CA 1.154 56.042 54.840 0.081 0.000 0.835 300 L CB -0.664 41.466 42.059 0.119 0.000 0.953 300 L HN 0.755 nan 8.230 nan 0.000 0.454 301 G N -0.064 108.742 108.800 0.010 0.000 2.601 301 G HA2 -0.192 3.768 3.960 0.001 0.000 0.224 301 G HA3 -0.192 3.768 3.960 0.001 0.000 0.224 301 G C -0.269 174.683 174.900 0.087 0.000 1.171 301 G CA -0.274 44.837 45.100 0.017 0.000 1.009 301 G HN 0.343 nan 8.290 nan 0.000 0.589 302 A N 0.854 123.719 122.820 0.076 0.000 2.478 302 A HA 0.729 5.049 4.320 0.001 0.000 0.327 302 A C 0.827 178.466 177.584 0.092 0.000 1.431 302 A CA 0.549 52.622 52.037 0.061 0.000 1.014 302 A CB -0.212 18.792 19.000 0.007 0.000 1.143 302 A HN 2.263 nan 8.150 nan 0.000 0.532 303 V N 0.689 120.680 119.914 0.129 0.000 2.872 303 V HA 0.382 4.502 4.120 0.001 0.000 0.307 303 V C 1.318 177.529 176.094 0.195 0.000 1.072 303 V CA 0.387 62.786 62.300 0.165 0.000 1.148 303 V CB 0.245 32.207 31.823 0.231 0.000 0.954 303 V HN 1.043 nan 8.190 nan 0.000 0.490 304 A N 3.745 126.651 122.820 0.144 0.000 1.969 304 A HA 0.065 4.385 4.320 0.001 0.000 0.218 304 A C 1.251 178.885 177.584 0.083 0.000 1.169 304 A CA 0.902 53.022 52.037 0.138 0.000 0.635 304 A CB -0.508 18.461 19.000 -0.052 0.000 0.810 304 A HN 1.048 nan 8.150 nan 0.000 0.445 305 L N 0.868 122.110 121.223 0.032 0.000 2.500 305 L HA 0.122 4.463 4.340 0.001 0.000 0.272 305 L C 1.115 177.958 176.870 -0.045 0.000 1.149 305 L CA 0.334 55.143 54.840 -0.051 0.000 0.897 305 L CB 0.217 42.278 42.059 0.002 0.000 1.178 305 L HN 0.282 nan 8.230 nan 0.000 0.473 306 K N 1.645 121.873 120.400 -0.287 0.000 2.074 306 K HA -0.207 4.113 4.320 0.001 0.000 0.209 306 K C 2.006 178.571 176.600 -0.058 0.000 1.048 306 K CA 1.883 57.959 56.287 -0.352 0.000 0.926 306 K CB -0.139 32.065 32.500 -0.494 0.000 0.713 306 K HN 0.917 nan 8.250 nan 0.000 0.444 307 S N 0.224 115.907 115.700 -0.029 0.000 2.356 307 S HA -0.211 4.259 4.470 0.001 0.000 0.223 307 S C 2.059 176.731 174.600 0.120 0.000 1.032 307 S CA 1.050 59.273 58.200 0.037 0.000 1.005 307 S CB -0.637 62.582 63.200 0.032 0.000 0.867 307 S HN 0.350 nan 8.310 nan 0.000 0.449 308 Y N 2.149 122.451 120.300 0.003 0.000 2.365 308 Y HA 0.182 4.732 4.550 0.000 0.000 0.293 308 Y C 2.625 178.557 175.900 0.055 0.000 1.119 308 Y CA 0.996 59.112 58.100 0.026 0.000 1.203 308 Y CB -0.312 38.162 38.460 0.024 0.000 1.026 308 Y HN 0.254 nan 8.280 nan 0.000 0.549 309 E N 0.880 121.132 120.200 0.087 0.000 2.077 309 E HA -0.227 4.124 4.350 0.001 0.000 0.193 309 E C 1.730 178.336 176.600 0.010 0.000 0.989 309 E CA 1.602 58.040 56.400 0.063 0.000 0.800 309 E CB 0.005 29.860 29.700 0.259 0.000 0.746 309 E HN 0.660 nan 8.360 nan 0.000 0.452 310 E N 0.302 120.528 120.200 0.042 0.000 2.110 310 E HA -0.197 4.153 4.350 0.001 0.000 0.193 310 E C 2.059 178.638 176.600 -0.035 0.000 0.988 310 E CA 1.016 57.427 56.400 0.020 0.000 0.804 310 E CB -0.097 29.625 29.700 0.036 0.000 0.745 310 E HN 0.328 nan 8.360 nan 0.000 0.458 311 E N 0.217 120.370 120.200 -0.078 0.000 2.150 311 E HA -0.177 4.173 4.350 0.001 0.000 0.193 311 E C 1.342 177.837 176.600 -0.175 0.000 0.985 311 E CA 0.687 57.018 56.400 -0.115 0.000 0.814 311 E CB 0.244 29.874 29.700 -0.117 0.000 0.752 311 E HN 0.088 nan 8.360 nan 0.000 0.466 312 L N -0.310 120.767 121.223 -0.243 0.000 2.616 312 L HA 0.252 4.593 4.340 0.001 0.000 0.229 312 L C 1.816 178.630 176.870 -0.094 0.000 1.110 312 L CA 0.654 55.374 54.840 -0.201 0.000 0.884 312 L CB 0.195 42.082 42.059 -0.286 0.000 1.115 312 L HN 0.096 nan 8.230 nan 0.000 0.481 313 A N -0.559 122.219 122.820 -0.070 0.000 2.121 313 A HA -0.154 4.166 4.320 0.001 0.000 0.218 313 A C 2.222 179.781 177.584 -0.041 0.000 1.154 313 A CA 1.095 53.107 52.037 -0.040 0.000 0.679 313 A CB -0.329 18.656 19.000 -0.025 0.000 0.795 313 A HN 0.348 nan 8.150 nan 0.000 0.458 314 K N 0.239 120.610 120.400 -0.048 0.000 2.147 314 K HA -0.109 4.212 4.320 0.001 0.000 0.205 314 K C 0.311 176.875 176.600 -0.060 0.000 1.049 314 K CA 0.665 56.922 56.287 -0.049 0.000 0.936 314 K CB -0.184 32.288 32.500 -0.048 0.000 0.722 314 K HN 0.408 nan 8.250 nan 0.000 0.446 315 D N 1.514 121.875 120.400 -0.064 0.000 2.502 315 D HA -0.048 4.592 4.640 0.001 0.000 0.249 315 D C -1.593 174.649 176.300 -0.097 0.000 1.188 315 D CA -1.311 52.638 54.000 -0.086 0.000 0.890 315 D CB 1.124 41.885 40.800 -0.065 0.000 1.140 315 D HN 0.017 nan 8.370 nan 0.000 0.505 316 P HA -0.071 nan 4.420 nan 0.000 0.223 316 P C 1.102 178.311 177.300 -0.151 0.000 1.151 316 P CA 0.707 63.734 63.100 -0.122 0.000 0.787 316 P CB 0.394 32.015 31.700 -0.131 0.000 0.788 317 R N -0.410 119.931 120.500 -0.265 0.000 2.066 317 R HA -0.016 4.324 4.340 0.001 0.000 0.232 317 R C 2.327 178.587 176.300 -0.066 0.000 1.131 317 R CA 1.032 56.888 56.100 -0.407 0.000 0.955 317 R CB -0.715 28.903 30.300 -1.136 0.000 0.851 317 R HN 0.147 nan 8.270 nan 0.000 0.432 318 I N 1.104 121.694 120.570 0.033 0.000 2.226 318 I HA -0.180 3.990 4.170 0.001 0.000 0.245 318 I C 2.535 178.693 176.117 0.067 0.000 1.100 318 I CA 1.250 62.648 61.300 0.162 0.000 1.374 318 I CB -1.411 36.656 38.000 0.111 0.000 1.057 318 I HN 0.145 nan 8.210 nan 0.000 0.413 319 A N 0.992 123.815 122.820 0.005 0.000 1.940 319 A HA -0.120 4.200 4.320 0.001 0.000 0.219 319 A C 2.567 180.149 177.584 -0.004 0.000 1.176 319 A CA 2.031 54.060 52.037 -0.014 0.000 0.631 319 A CB -0.679 18.300 19.000 -0.035 0.000 0.814 319 A HN 0.422 nan 8.150 nan 0.000 0.446 320 A N -1.091 121.733 122.820 0.006 0.000 1.897 320 A HA -0.017 4.303 4.320 0.001 0.000 0.215 320 A C 2.280 179.894 177.584 0.051 0.000 1.181 320 A CA 2.098 54.146 52.037 0.020 0.000 0.620 320 A CB -1.218 17.793 19.000 0.017 0.000 0.821 320 A HN 0.425 nan 8.150 nan 0.000 0.443 321 T N 0.388 115.004 114.554 0.104 0.000 2.665 321 T HA -0.186 4.164 4.350 0.001 0.000 0.268 321 T C 1.895 176.623 174.700 0.048 0.000 1.035 321 T CA 1.820 63.985 62.100 0.108 0.000 1.151 321 T CB -0.277 68.690 68.868 0.164 0.000 0.862 321 T HN 0.283 nan 8.240 nan 0.000 0.438 322 M N 0.861 120.474 119.600 0.022 0.000 2.319 322 M HA 0.058 4.538 4.480 0.001 0.000 0.265 322 M C 2.251 178.532 176.300 -0.032 0.000 1.068 322 M CA 1.037 56.322 55.300 -0.026 0.000 1.118 322 M CB -1.046 31.520 32.600 -0.056 0.000 1.395 322 M HN 0.393 nan 8.290 nan 0.000 0.435 323 E N 0.549 120.739 120.200 -0.017 0.000 2.072 323 E HA -0.186 4.165 4.350 0.001 0.000 0.191 323 E C 1.757 178.351 176.600 -0.011 0.000 0.985 323 E CA 1.116 57.504 56.400 -0.020 0.000 0.801 323 E CB 0.185 29.875 29.700 -0.017 0.000 0.750 323 E HN 0.419 nan 8.360 nan 0.000 0.452 324 N N 0.367 119.069 118.700 0.003 0.000 2.142 324 N HA -0.114 4.626 4.740 0.001 0.000 0.186 324 N C 1.721 177.244 175.510 0.022 0.000 1.023 324 N CA 1.190 54.246 53.050 0.011 0.000 0.852 324 N CB -0.345 38.153 38.487 0.017 0.000 0.998 324 N HN 0.234 nan 8.380 nan 0.000 0.424 325 A N 1.059 123.893 122.820 0.023 0.000 1.908 325 A HA -0.218 4.102 4.320 0.001 0.000 0.218 325 A C 2.254 179.843 177.584 0.009 0.000 1.181 325 A CA 1.537 53.594 52.037 0.034 0.000 0.627 325 A CB -0.649 18.357 19.000 0.010 0.000 0.818 325 A HN 0.205 nan 8.150 nan 0.000 0.445 326 Q N -0.141 119.642 119.800 -0.029 0.000 2.061 326 Q HA -0.131 4.209 4.340 0.001 0.000 0.204 326 Q C 1.934 177.929 176.000 -0.008 0.000 0.984 326 Q CA 2.150 57.928 55.803 -0.041 0.000 0.846 326 Q CB -0.219 28.489 28.738 -0.051 0.000 0.902 326 Q HN 0.704 nan 8.270 nan 0.000 0.421 327 K N -0.783 119.617 120.400 0.001 0.000 2.365 327 K HA 0.074 4.394 4.320 0.001 0.000 0.199 327 K C 0.926 177.539 176.600 0.021 0.000 1.045 327 K CA 0.545 56.836 56.287 0.007 0.000 0.962 327 K CB 0.103 32.605 32.500 0.002 0.000 0.759 327 K HN 0.221 nan 8.250 nan 0.000 0.469 328 G N 0.632 109.457 108.800 0.042 0.000 2.543 328 G HA2 0.228 4.188 3.960 0.001 0.000 0.267 328 G HA3 0.228 4.188 3.960 0.001 0.000 0.267 328 G C -1.033 173.932 174.900 0.107 0.000 1.406 328 G CA -0.284 44.854 45.100 0.064 0.000 1.048 328 G HN -0.016 nan 8.290 nan 0.000 0.548 329 E N -1.288 119.010 120.200 0.164 0.000 2.266 329 E HA 0.458 4.809 4.350 0.001 0.000 0.268 329 E C -0.561 176.304 176.600 0.442 0.000 0.879 329 E CA -0.735 55.818 56.400 0.256 0.000 0.762 329 E CB 2.126 31.965 29.700 0.232 0.000 1.199 329 E HN 0.383 nan 8.360 nan 0.000 0.422 330 I N 3.796 124.622 120.570 0.428 0.000 2.588 330 I HA 0.112 4.282 4.170 0.001 0.000 0.283 330 I C -0.025 176.400 176.117 0.512 0.000 1.119 330 I CA -0.204 61.383 61.300 0.478 0.000 1.419 330 I CB 0.372 38.591 38.000 0.365 0.000 1.394 330 I HN 0.577 nan 8.210 nan 0.000 0.562 331 M N 8.907 128.786 119.600 0.466 0.000 2.248 331 M HA 0.181 4.662 4.480 0.001 0.000 0.345 331 M C -2.140 174.226 176.300 0.111 0.000 1.243 331 M CA -1.254 54.063 55.300 0.030 0.000 1.090 331 M CB -0.046 32.411 32.600 -0.238 0.000 1.683 331 M HN 0.358 nan 8.290 nan 0.000 0.450 332 P HA 0.033 nan 4.420 nan 0.000 0.270 332 P C -0.417 176.797 177.300 -0.144 0.000 1.223 332 P CA -0.053 62.929 63.100 -0.197 0.000 0.785 332 P CB 0.339 31.601 31.700 -0.731 0.000 0.923 333 N N 1.192 119.888 118.700 -0.005 0.000 2.204 333 N HA 0.046 4.786 4.740 0.001 0.000 0.219 333 N C 0.345 175.826 175.510 -0.049 0.000 1.151 333 N CA -0.305 52.741 53.050 -0.007 0.000 0.867 333 N CB -0.825 37.755 38.487 0.154 0.000 1.043 333 N HN 0.404 nan 8.380 nan 0.000 0.516 334 I N -2.551 117.973 120.570 -0.076 0.000 2.813 334 I HA 0.244 4.415 4.170 0.001 0.000 0.287 334 I C -1.524 174.500 176.117 -0.154 0.000 1.196 334 I CA -1.535 59.732 61.300 -0.055 0.000 1.421 334 I CB 0.420 38.331 38.000 -0.149 0.000 1.365 334 I HN -0.286 nan 8.210 nan 0.000 0.591 335 P HA -0.168 nan 4.420 nan 0.000 0.218 335 P C 0.953 178.183 177.300 -0.118 0.000 1.146 335 P CA 1.400 64.414 63.100 -0.143 0.000 0.813 335 P CB 0.023 31.671 31.700 -0.088 0.000 0.778 336 Q N -2.082 117.618 119.800 -0.166 0.000 2.482 336 Q HA 0.059 4.400 4.340 0.001 0.000 0.209 336 Q C 1.816 177.820 176.000 0.007 0.000 0.961 336 Q CA 0.724 56.445 55.803 -0.136 0.000 0.945 336 Q CB -0.678 27.849 28.738 -0.352 0.000 1.012 336 Q HN 0.214 nan 8.270 nan 0.000 0.515 337 M N -0.321 119.260 119.600 -0.033 0.000 2.175 337 M HA -0.114 4.366 4.480 0.001 0.000 0.264 337 M C 1.998 178.412 176.300 0.190 0.000 1.063 337 M CA 1.641 56.966 55.300 0.043 0.000 1.119 337 M CB -1.011 31.550 32.600 -0.066 0.000 1.377 337 M HN 0.319 nan 8.290 nan 0.000 0.415 338 S N 0.594 116.401 115.700 0.179 0.000 2.382 338 S HA -0.065 4.406 4.470 0.001 0.000 0.228 338 S C 2.125 176.871 174.600 0.243 0.000 1.027 338 S CA 1.201 59.545 58.200 0.240 0.000 0.991 338 S CB -0.762 62.496 63.200 0.096 0.000 0.823 338 S HN 0.440 nan 8.310 nan 0.000 0.469 339 A N 1.566 124.500 122.820 0.189 0.000 1.902 339 A HA 0.057 4.378 4.320 0.001 0.000 0.217 339 A C 1.955 179.693 177.584 0.257 0.000 1.181 339 A CA 1.454 53.615 52.037 0.208 0.000 0.623 339 A CB -1.117 17.983 19.000 0.165 0.000 0.818 339 A HN 0.588 nan 8.150 nan 0.000 0.443 340 F N -0.754 119.250 119.950 0.091 0.000 2.095 340 F HA -0.218 4.310 4.527 0.001 0.000 0.298 340 F C 2.017 177.739 175.800 -0.130 0.000 1.104 340 F CA 1.836 59.768 58.000 -0.113 0.000 1.232 340 F CB -0.554 38.255 39.000 -0.319 0.000 0.987 340 F HN 0.399 nan 8.300 nan 0.000 0.475 341 W N -1.071 120.156 121.300 -0.122 0.000 2.381 341 W HA -0.207 4.454 4.660 0.001 0.000 0.301 341 W C 2.529 178.957 176.519 -0.151 0.000 1.205 341 W CA 1.276 58.480 57.345 -0.236 0.000 1.285 341 W CB -0.995 28.465 29.460 -0.001 0.000 1.133 341 W HN 0.223 nan 8.180 nan 0.000 0.521 342 Y N 1.335 121.710 120.300 0.125 0.000 2.128 342 Y HA -0.309 4.241 4.550 0.001 0.000 0.284 342 Y C 2.295 178.196 175.900 0.001 0.000 1.154 342 Y CA 2.321 60.455 58.100 0.057 0.000 1.149 342 Y CB -0.923 37.565 38.460 0.046 0.000 0.976 342 Y HN -0.085 nan 8.280 nan 0.000 0.505 343 A N -0.358 122.422 122.820 -0.068 0.000 1.883 343 A HA -0.174 4.147 4.320 0.001 0.000 0.217 343 A C 2.318 179.752 177.584 -0.250 0.000 1.186 343 A CA 2.357 54.297 52.037 -0.162 0.000 0.624 343 A CB -1.350 17.632 19.000 -0.031 0.000 0.822 343 A HN 0.368 nan 8.150 nan 0.000 0.444 344 V N -0.054 119.680 119.914 -0.301 0.000 2.379 344 V HA -0.191 3.929 4.120 0.001 0.000 0.245 344 V C 2.609 178.655 176.094 -0.080 0.000 1.044 344 V CA 1.937 64.116 62.300 -0.203 0.000 1.036 344 V CB -0.838 30.783 31.823 -0.337 0.000 0.664 344 V HN 0.611 nan 8.190 nan 0.000 0.453 345 R N 0.263 120.719 120.500 -0.072 0.000 2.094 345 R HA -0.204 4.136 4.340 0.001 0.000 0.239 345 R C 2.332 178.562 176.300 -0.116 0.000 1.137 345 R CA 2.401 58.479 56.100 -0.036 0.000 0.943 345 R CB -0.609 29.674 30.300 -0.028 0.000 0.850 345 R HN 0.545 nan 8.270 nan 0.000 0.433 346 T N 0.707 115.095 114.554 -0.277 0.000 2.708 346 T HA -0.089 4.262 4.350 0.001 0.000 0.266 346 T C 1.859 176.474 174.700 -0.142 0.000 1.037 346 T CA 1.345 63.281 62.100 -0.273 0.000 1.146 346 T CB -0.327 68.229 68.868 -0.520 0.000 0.865 346 T HN 0.460 nan 8.240 nan 0.000 0.435 347 A N 1.115 123.860 122.820 -0.125 0.000 1.883 347 A HA -0.077 4.244 4.320 0.001 0.000 0.217 347 A C 2.607 180.173 177.584 -0.031 0.000 1.186 347 A CA 1.572 53.572 52.037 -0.061 0.000 0.624 347 A CB -1.121 17.851 19.000 -0.046 0.000 0.822 347 A HN 0.347 nan 8.150 nan 0.000 0.444 348 V N 0.127 120.034 119.914 -0.013 0.000 2.343 348 V HA -0.262 3.858 4.120 0.001 0.000 0.247 348 V C 2.431 178.522 176.094 -0.005 0.000 1.051 348 V CA 1.991 64.298 62.300 0.012 0.000 1.036 348 V CB -0.676 31.183 31.823 0.060 0.000 0.654 348 V HN 0.564 nan 8.190 nan 0.000 0.451 349 I N 0.491 121.052 120.570 -0.015 0.000 2.179 349 I HA -0.233 3.937 4.170 0.001 0.000 0.242 349 I C 2.348 178.451 176.117 -0.024 0.000 1.088 349 I CA 1.558 62.846 61.300 -0.020 0.000 1.357 349 I CB -0.451 37.533 38.000 -0.026 0.000 1.051 349 I HN 0.365 nan 8.210 nan 0.000 0.409 350 N N 0.973 119.657 118.700 -0.027 0.000 2.188 350 N HA -0.083 4.658 4.740 0.001 0.000 0.184 350 N C 1.843 177.341 175.510 -0.020 0.000 1.018 350 N CA 1.476 54.513 53.050 -0.022 0.000 0.858 350 N CB -0.385 38.090 38.487 -0.021 0.000 0.989 350 N HN 0.337 nan 8.380 nan 0.000 0.426 351 A N 0.953 123.761 122.820 -0.020 0.000 1.873 351 A HA 0.072 4.392 4.320 0.001 0.000 0.215 351 A C 2.309 179.880 177.584 -0.023 0.000 1.186 351 A CA 1.854 53.880 52.037 -0.019 0.000 0.616 351 A CB -0.933 18.058 19.000 -0.016 0.000 0.823 351 A HN 0.286 nan 8.150 nan 0.000 0.442 352 A N 0.269 123.075 122.820 -0.024 0.000 2.019 352 A HA -0.070 4.251 4.320 0.001 0.000 0.219 352 A C 2.373 179.938 177.584 -0.032 0.000 1.164 352 A CA 2.191 54.210 52.037 -0.030 0.000 0.644 352 A CB -0.807 18.173 19.000 -0.032 0.000 0.805 352 A HN 1.004 nan 8.150 nan 0.000 0.449 353 S N -1.992 113.692 115.700 -0.028 0.000 2.527 353 S HA 0.343 4.813 4.470 0.001 0.000 0.222 353 S C 1.493 176.078 174.600 -0.025 0.000 0.985 353 S CA 1.067 59.251 58.200 -0.027 0.000 0.921 353 S CB -0.392 62.794 63.200 -0.023 0.000 0.772 353 S HN 1.901 nan 8.310 nan 0.000 0.529 354 G N 1.716 110.501 108.800 -0.024 0.000 2.155 354 G HA2 -0.351 3.609 3.960 0.001 0.000 0.257 354 G HA3 -0.351 3.609 3.960 0.001 0.000 0.257 354 G C 0.743 175.631 174.900 -0.020 0.000 0.983 354 G CA 0.472 45.559 45.100 -0.023 0.000 0.676 354 G HN 0.570 nan 8.290 nan 0.000 0.528 355 R N -0.683 119.806 120.500 -0.018 0.000 2.153 355 R HA 0.209 4.549 4.340 0.001 0.000 0.218 355 R C 1.070 177.360 176.300 -0.016 0.000 1.072 355 R CA 1.699 57.789 56.100 -0.016 0.000 0.990 355 R CB 0.084 30.376 30.300 -0.013 0.000 0.889 355 R HN 0.467 nan 8.270 nan 0.000 0.452 356 Q N -0.552 119.239 119.800 -0.015 0.000 2.456 356 Q HA 0.188 4.528 4.340 0.001 0.000 0.284 356 Q C -1.213 174.779 176.000 -0.013 0.000 1.061 356 Q CA -0.724 55.071 55.803 -0.014 0.000 0.799 356 Q CB 2.065 30.797 28.738 -0.011 0.000 1.445 356 Q HN 0.134 nan 8.270 nan 0.000 0.411 357 T N -1.457 113.091 114.554 -0.010 0.000 2.813 357 T HA 0.247 4.597 4.350 0.001 0.000 0.297 357 T C 1.040 175.736 174.700 -0.006 0.000 1.036 357 T CA -0.182 61.913 62.100 -0.008 0.000 1.044 357 T CB 0.546 69.411 68.868 -0.005 0.000 0.993 357 T HN 0.369 nan 8.240 nan 0.000 0.535 358 V N 1.014 120.925 119.914 -0.005 0.000 2.407 358 V HA -0.131 3.989 4.120 0.001 0.000 0.248 358 V C 2.678 178.772 176.094 -0.000 0.000 1.055 358 V CA 2.141 64.438 62.300 -0.005 0.000 1.049 358 V CB -0.826 30.994 31.823 -0.004 0.000 0.662 358 V HN 1.028 nan 8.190 nan 0.000 0.455 359 D N 0.173 120.575 120.400 0.004 0.000 2.097 359 D HA -0.132 4.508 4.640 0.001 0.000 0.197 359 D C 2.165 178.471 176.300 0.010 0.000 0.984 359 D CA 1.630 55.635 54.000 0.008 0.000 0.826 359 D CB 0.221 41.027 40.800 0.010 0.000 0.973 359 D HN 0.403 nan 8.370 nan 0.000 0.460 360 A N 0.821 123.646 122.820 0.007 0.000 1.929 360 A HA 0.080 4.400 4.320 0.001 0.000 0.216 360 A C 2.335 179.925 177.584 0.009 0.000 1.176 360 A CA 1.821 53.863 52.037 0.009 0.000 0.628 360 A CB -0.535 18.467 19.000 0.004 0.000 0.816 360 A HN 0.303 nan 8.150 nan 0.000 0.444 361 A N -0.207 122.614 122.820 0.002 0.000 1.873 361 A HA 0.016 4.337 4.320 0.001 0.000 0.215 361 A C 2.136 179.720 177.584 -0.001 0.000 1.186 361 A CA 1.413 53.448 52.037 -0.002 0.000 0.616 361 A CB -0.524 18.470 19.000 -0.010 0.000 0.823 361 A HN 0.446 nan 8.150 nan 0.000 0.442 362 L N -0.960 120.264 121.223 0.002 0.000 2.156 362 L HA -0.097 4.243 4.340 0.001 0.000 0.208 362 L C 3.065 179.942 176.870 0.012 0.000 1.095 362 L CA 0.776 55.619 54.840 0.005 0.000 0.770 362 L CB -0.513 41.548 42.059 0.003 0.000 0.914 362 L HN 0.443 nan 8.230 nan 0.000 0.439 363 A N 0.330 123.161 122.820 0.019 0.000 1.908 363 A HA -0.196 4.124 4.320 0.001 0.000 0.218 363 A C 2.496 180.105 177.584 0.041 0.000 1.181 363 A CA 1.840 53.896 52.037 0.032 0.000 0.627 363 A CB -0.613 18.409 19.000 0.036 0.000 0.818 363 A HN 0.396 nan 8.150 nan 0.000 0.445 364 A N -0.432 122.410 122.820 0.036 0.000 1.968 364 A HA 0.269 4.589 4.320 0.001 0.000 0.217 364 A C 2.434 180.044 177.584 0.043 0.000 1.169 364 A CA 1.706 53.770 52.037 0.045 0.000 0.638 364 A CB -0.826 18.200 19.000 0.042 0.000 0.812 364 A HN 0.997 nan 8.150 nan 0.000 0.446 365 A N -0.213 122.619 122.820 0.020 0.000 1.902 365 A HA -0.189 4.131 4.320 0.001 0.000 0.217 365 A C 2.144 179.743 177.584 0.025 0.000 1.181 365 A CA 2.101 54.140 52.037 0.004 0.000 0.623 365 A CB -0.545 18.439 19.000 -0.026 0.000 0.818 365 A HN 0.607 nan 8.150 nan 0.000 0.443 366 Q N 0.011 119.828 119.800 0.029 0.000 2.045 366 Q HA -0.165 4.176 4.340 0.001 0.000 0.206 366 Q C 1.886 177.927 176.000 0.067 0.000 0.991 366 Q CA 3.025 58.852 55.803 0.040 0.000 0.851 366 Q CB -1.162 27.599 28.738 0.039 0.000 0.911 366 Q HN 0.506 nan 8.270 nan 0.000 0.418 367 T N 1.008 115.601 114.554 0.066 0.000 2.708 367 T HA -0.100 4.250 4.350 0.001 0.000 0.266 367 T C 1.609 176.351 174.700 0.071 0.000 1.037 367 T CA 1.218 63.354 62.100 0.060 0.000 1.146 367 T CB -0.453 68.446 68.868 0.053 0.000 0.865 367 T HN 0.338 nan 8.240 nan 0.000 0.435 368 N N 1.466 120.221 118.700 0.092 0.000 2.036 368 N HA -0.068 4.672 4.740 0.001 0.000 0.195 368 N C 2.098 177.698 175.510 0.150 0.000 1.037 368 N CA 1.600 54.731 53.050 0.135 0.000 0.855 368 N CB -0.675 37.933 38.487 0.202 0.000 1.033 368 N HN 0.439 nan 8.380 nan 0.000 0.423 369 A N 0.386 123.295 122.820 0.148 0.000 1.933 369 A HA 0.057 4.378 4.320 0.001 0.000 0.218 369 A C 2.283 180.025 177.584 0.264 0.000 1.175 369 A CA 1.974 54.139 52.037 0.213 0.000 0.628 369 A CB -0.698 18.401 19.000 0.165 0.000 0.814 369 A HN 0.351 nan 8.150 nan 0.000 0.444 370 A N -1.244 121.695 122.820 0.197 0.000 1.930 370 A HA 0.431 4.751 4.320 0.001 0.000 0.215 370 A C 2.091 179.737 177.584 0.102 0.000 1.176 370 A CA 1.775 53.922 52.037 0.184 0.000 0.632 370 A CB -0.363 18.723 19.000 0.144 0.000 0.819 370 A HN 1.146 nan 8.150 nan 0.000 0.445 371 A N -1.734 121.125 122.820 0.065 0.000 2.427 371 A HA 0.556 4.876 4.320 0.001 0.000 0.225 371 A C 0.142 177.734 177.584 0.015 0.000 1.257 371 A CA 0.229 52.274 52.037 0.013 0.000 0.985 371 A CB 0.604 19.577 19.000 -0.046 0.000 1.136 371 A HN 0.273 nan 8.150 nan 0.000 0.538 372 V N 0.394 120.332 119.914 0.039 0.000 2.680 372 V HA 0.484 4.604 4.120 0.001 0.000 0.309 372 V C -0.457 175.637 176.094 -0.001 0.000 1.052 372 V CA -0.710 61.602 62.300 0.020 0.000 0.908 372 V CB 1.892 33.732 31.823 0.028 0.000 1.001 372 V HN 0.317 nan 8.190 nan 0.000 0.431 373 K N 2.579 122.954 120.400 -0.041 0.000 2.507 373 K HA 0.710 5.030 4.320 0.001 0.000 0.252 373 K C -1.674 174.835 176.600 -0.152 0.000 0.943 373 K CA -0.434 55.803 56.287 -0.084 0.000 0.808 373 K CB 2.059 34.533 32.500 -0.043 0.000 1.142 373 K HN 0.507 nan 8.250 nan 0.000 0.426 374 V N 3.449 123.183 119.914 -0.299 0.000 2.435 374 V HA 0.343 4.463 4.120 0.001 0.000 0.290 374 V C -0.446 175.513 176.094 -0.226 0.000 1.030 374 V CA -0.641 61.459 62.300 -0.334 0.000 0.881 374 V CB 1.449 32.873 31.823 -0.666 0.000 0.983 374 V HN 0.779 nan 8.190 nan 0.000 0.445 375 E N 3.337 123.458 120.200 -0.133 0.000 2.218 375 E HA 0.445 4.795 4.350 0.001 0.000 0.263 375 E C -1.503 175.063 176.600 -0.056 0.000 0.879 375 E CA -0.509 55.840 56.400 -0.086 0.000 0.762 375 E CB 1.438 31.105 29.700 -0.056 0.000 1.166 375 E HN 0.756 nan 8.360 nan 0.000 0.415 376 c N 6.010 124.577 118.600 -0.054 0.000 2.273 376 c HA 0.527 5.098 4.570 0.001 0.000 0.328 376 c C 0.171 174.298 174.090 0.062 0.000 1.275 376 c CA -0.643 55.683 56.329 -0.005 0.000 1.704 376 c CB -1.013 41.417 42.510 -0.134 0.000 2.326 376 c HN 0.643 nan 8.230 nan 0.000 0.517 377 L N 1.737 123.025 121.223 0.108 0.000 2.267 377 L HA 0.455 4.796 4.340 0.001 0.000 0.264 377 L C 1.561 178.492 176.870 0.102 0.000 1.021 377 L CA -0.696 54.196 54.840 0.088 0.000 0.861 377 L CB 0.366 42.437 42.059 0.021 0.000 1.443 377 L HN 0.607 nan 8.230 nan 0.000 0.475 378 E N 0.646 120.855 120.200 0.016 0.000 2.028 378 E HA -0.280 4.070 4.350 0.001 0.000 0.217 378 E C 1.151 177.619 176.600 -0.219 0.000 1.039 378 E CA 2.176 58.527 56.400 -0.081 0.000 0.882 378 E CB -0.115 29.541 29.700 -0.074 0.000 0.794 378 E HN 0.682 nan 8.360 nan 0.000 0.488 379 A N 0.125 122.846 122.820 -0.164 0.000 2.503 379 A HA 0.160 4.480 4.320 0.001 0.000 0.263 379 A C 0.204 177.710 177.584 -0.130 0.000 1.258 379 A CA -0.190 51.727 52.037 -0.200 0.000 0.936 379 A CB 0.446 19.356 19.000 -0.150 0.000 1.070 379 A HN 0.151 nan 8.150 nan 0.000 0.522 380 E N -0.505 119.650 120.200 -0.075 0.000 2.369 380 E HA 0.602 4.952 4.350 0.001 0.000 0.270 380 E C -2.076 174.525 176.600 0.001 0.000 0.909 380 E CA -0.754 55.626 56.400 -0.033 0.000 0.775 380 E CB 2.005 31.691 29.700 -0.025 0.000 1.270 380 E HN 0.207 nan 8.360 nan 0.000 0.445 381 L N 2.626 123.850 121.223 0.002 0.000 2.410 381 L HA 0.498 4.839 4.340 0.001 0.000 0.270 381 L C -1.882 174.993 176.870 0.010 0.000 0.983 381 L CA -0.652 54.193 54.840 0.008 0.000 0.822 381 L CB 1.915 43.977 42.059 0.004 0.000 1.285 381 L HN 0.279 nan 8.230 nan 0.000 0.409 382 V N 5.297 125.211 119.914 0.000 0.000 2.409 382 V HA 0.615 4.736 4.120 0.001 0.000 0.291 382 V C -0.589 175.507 176.094 0.005 0.000 1.020 382 V CA -0.675 61.633 62.300 0.014 0.000 0.848 382 V CB 1.735 33.558 31.823 -0.000 0.000 0.990 382 V HN 0.538 nan 8.190 nan 0.000 0.430 383 V N 3.682 123.634 119.914 0.062 0.000 2.409 383 V HA 0.491 4.611 4.120 0.001 0.000 0.291 383 V C 0.140 176.317 176.094 0.138 0.000 1.020 383 V CA -0.276 62.056 62.300 0.053 0.000 0.848 383 V CB 1.947 33.773 31.823 0.005 0.000 0.990 383 V HN 0.929 nan 8.190 nan 0.000 0.430 384 T N 4.655 119.246 114.554 0.062 0.000 2.770 384 T HA 0.588 4.938 4.350 0.001 0.000 0.283 384 T C -0.294 174.441 174.700 0.057 0.000 0.988 384 T CA -0.382 61.755 62.100 0.062 0.000 0.957 384 T CB 1.469 70.345 68.868 0.013 0.000 0.930 384 T HN 0.351 nan 8.240 nan 0.000 0.443 385 V N 2.680 122.646 119.914 0.088 0.000 2.459 385 V HA 0.469 4.589 4.120 0.001 0.000 0.295 385 V C 0.545 176.645 176.094 0.011 0.000 1.029 385 V CA -0.919 61.415 62.300 0.057 0.000 0.874 385 V CB 1.878 33.768 31.823 0.112 0.000 0.985 385 V HN 0.903 nan 8.190 nan 0.000 0.438 386 S N 3.601 119.288 115.700 -0.021 0.000 2.510 386 S HA 0.201 4.671 4.470 0.001 0.000 0.279 386 S C 1.339 175.893 174.600 -0.075 0.000 1.284 386 S CA -0.309 57.868 58.200 -0.039 0.000 1.059 386 S CB 0.224 63.402 63.200 -0.037 0.000 0.901 386 S HN 0.705 nan 8.310 nan 0.000 0.491 387 R N 2.724 123.190 120.500 -0.057 0.000 2.115 387 R HA -0.050 4.290 4.340 0.001 0.000 0.230 387 R C 0.321 176.565 176.300 -0.094 0.000 1.111 387 R CA 1.022 57.080 56.100 -0.070 0.000 0.976 387 R CB -0.154 30.128 30.300 -0.030 0.000 0.870 387 R HN 0.591 nan 8.270 nan 0.000 0.445 388 D N 1.067 121.427 120.400 -0.066 0.000 2.600 388 D HA -0.021 4.620 4.640 0.001 0.000 0.226 388 D C 0.833 177.055 176.300 -0.129 0.000 1.119 388 D CA -0.092 53.877 54.000 -0.052 0.000 1.051 388 D CB 0.327 41.123 40.800 -0.006 0.000 1.106 388 D HN -0.063 nan 8.370 nan 0.000 0.491 389 L N 1.900 122.929 121.223 -0.324 0.000 2.109 389 L HA 0.034 4.374 4.340 0.001 0.000 0.207 389 L C 1.043 177.584 176.870 -0.550 0.000 1.086 389 L CA 1.716 56.215 54.840 -0.568 0.000 0.760 389 L CB -0.344 41.104 42.059 -1.018 0.000 0.910 389 L HN 0.305 nan 8.230 nan 0.000 0.437 390 F N -1.033 118.913 119.950 -0.006 0.000 2.656 390 F HA 0.434 4.961 4.527 0.001 0.000 0.291 390 F C 1.970 177.790 175.800 0.033 0.000 1.122 390 F CA 0.450 58.461 58.000 0.019 0.000 1.427 390 F CB -0.400 38.613 39.000 0.021 0.000 1.125 390 F HN 0.092 nan 8.300 nan 0.000 0.583 391 G N -0.312 108.585 108.800 0.160 0.000 2.179 391 G HA2 -0.290 3.671 3.960 0.001 0.000 0.220 391 G HA3 -0.290 3.671 3.960 0.001 0.000 0.220 391 G C 1.100 176.072 174.900 0.119 0.000 0.990 391 G CA 0.526 45.698 45.100 0.120 0.000 0.646 391 G HN 0.239 nan 8.290 nan 0.000 0.517 392 T N 0.206 114.856 114.554 0.160 0.000 2.915 392 T HA 0.307 4.657 4.350 0.001 0.000 0.269 392 T C 2.468 177.221 174.700 0.088 0.000 1.071 392 T CA 2.337 64.508 62.100 0.119 0.000 1.132 392 T CB -0.279 68.669 68.868 0.133 0.000 0.878 392 T HN 2.071 nan 8.240 nan 0.000 0.479 393 G N 1.281 110.133 108.800 0.086 0.000 2.213 393 G HA2 -0.252 3.708 3.960 0.001 0.000 0.236 393 G HA3 -0.252 3.708 3.960 0.001 0.000 0.236 393 G C 0.165 175.104 174.900 0.066 0.000 0.991 393 G CA 0.115 45.251 45.100 0.061 0.000 0.629 393 G HN 0.586 nan 8.290 nan 0.000 0.517 394 K N 1.337 121.794 120.400 0.094 0.000 2.316 394 K HA 0.559 4.879 4.320 0.001 0.000 0.289 394 K C 0.560 177.222 176.600 0.105 0.000 1.070 394 K CA -0.588 55.760 56.287 0.101 0.000 0.928 394 K CB 0.069 32.643 32.500 0.124 0.000 1.039 394 K HN 0.257 nan 8.250 nan 0.000 0.480 395 L N 5.688 126.954 121.223 0.070 0.000 2.305 395 L HA 0.200 4.540 4.340 0.001 0.000 0.281 395 L C 0.483 177.390 176.870 0.062 0.000 1.085 395 L CA -1.010 53.856 54.840 0.044 0.000 0.813 395 L CB 1.050 43.126 42.059 0.028 0.000 1.157 395 L HN 0.455 nan 8.230 nan 0.000 0.436 396 V N 1.221 121.148 119.914 0.023 0.000 2.924 396 V HA 0.191 4.311 4.120 0.001 0.000 0.305 396 V C 0.072 176.222 176.094 0.093 0.000 1.073 396 V CA -0.670 61.670 62.300 0.066 0.000 1.098 396 V CB 0.691 32.441 31.823 -0.121 0.000 1.000 396 V HN 0.819 nan 8.190 nan 0.000 0.484 397 Q N 4.031 123.925 119.800 0.156 0.000 2.230 397 Q HA 0.368 4.708 4.340 0.001 0.000 0.253 397 Q C -1.629 174.445 176.000 0.123 0.000 0.919 397 Q CA -1.825 54.045 55.803 0.111 0.000 0.908 397 Q CB 1.839 30.638 28.738 0.102 0.000 1.245 397 Q HN 0.632 nan 8.270 nan 0.000 0.437 398 P HA -0.164 nan 4.420 nan 0.000 0.218 398 P C 0.982 178.340 177.300 0.098 0.000 1.149 398 P CA 1.285 64.419 63.100 0.057 0.000 0.817 398 P CB 0.141 31.823 31.700 -0.030 0.000 0.785 399 G N 0.193 109.040 108.800 0.079 0.000 2.509 399 G HA2 -0.184 3.776 3.960 0.001 0.000 0.218 399 G HA3 -0.184 3.776 3.960 0.001 0.000 0.218 399 G C 1.039 175.995 174.900 0.093 0.000 1.124 399 G CA 0.493 45.640 45.100 0.077 0.000 0.776 399 G HN 0.193 nan 8.290 nan 0.000 0.547 400 D N -0.161 120.310 120.400 0.118 0.000 2.349 400 D HA 0.125 4.765 4.640 0.001 0.000 0.215 400 D C 0.787 177.176 176.300 0.148 0.000 1.016 400 D CA 0.126 54.173 54.000 0.080 0.000 0.870 400 D CB 0.479 41.308 40.800 0.049 0.000 0.917 400 D HN 0.233 nan 8.370 nan 0.000 0.524 401 L N 0.402 121.776 121.223 0.252 0.000 2.307 401 L HA 0.378 4.718 4.340 0.001 0.000 0.284 401 L C -0.074 176.958 176.870 0.270 0.000 1.023 401 L CA -0.097 54.928 54.840 0.307 0.000 0.810 401 L CB 1.992 44.318 42.059 0.446 0.000 1.231 401 L HN -0.309 nan 8.230 nan 0.000 0.423 402 T N 3.718 118.338 114.554 0.110 0.000 2.921 402 T HA 0.440 4.791 4.350 0.001 0.000 0.297 402 T C -1.013 173.567 174.700 -0.200 0.000 1.013 402 T CA -0.424 61.691 62.100 0.024 0.000 0.990 402 T CB 2.012 70.918 68.868 0.064 0.000 1.023 402 T HN 0.202 nan 8.240 nan 0.000 0.447 403 L N 3.681 124.697 121.223 -0.345 0.000 2.282 403 L HA 0.723 5.063 4.340 0.001 0.000 0.288 403 L C 0.779 177.371 176.870 -0.463 0.000 1.033 403 L CA 1.054 55.594 54.840 -0.500 0.000 0.807 403 L CB 0.123 41.814 42.059 -0.613 0.000 1.209 403 L HN 1.000 nan 8.230 nan 0.000 0.423 404 G N 3.371 111.664 108.800 -0.846 0.000 2.601 404 G HA2 -0.249 3.711 3.960 0.001 0.000 0.261 404 G HA3 -0.249 3.711 3.960 0.001 0.000 0.261 404 G C -0.078 174.453 174.900 -0.615 0.000 1.289 404 G CA -0.006 44.464 45.100 -1.050 0.000 0.920 404 G HN 1.238 nan 8.290 nan 0.000 0.571 405 S N -1.088 114.467 115.700 -0.241 0.000 2.646 405 S HA 0.569 5.039 4.470 0.001 0.000 0.273 405 S C 1.219 175.817 174.600 -0.002 0.000 1.168 405 S CA 0.826 59.041 58.200 0.025 0.000 1.013 405 S CB 1.285 64.542 63.200 0.095 0.000 1.098 405 S HN 0.791 nan 8.310 nan 0.000 0.544 406 E N 0.652 120.873 120.200 0.034 0.000 2.153 406 E HA 0.083 4.433 4.350 0.001 0.000 0.194 406 E C 2.014 178.622 176.600 0.013 0.000 0.988 406 E CA 1.326 57.742 56.400 0.026 0.000 0.811 406 E CB -0.951 28.769 29.700 0.034 0.000 0.746 406 E HN 0.802 nan 8.360 nan 0.000 0.466 407 G N -0.128 108.676 108.800 0.007 0.000 2.534 407 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 407 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 407 G C 0.460 175.357 174.900 -0.005 0.000 1.128 407 G CA 0.317 45.419 45.100 0.003 0.000 0.784 407 G HN 0.387 nan 8.290 nan 0.000 0.542 408 c N 1.668 120.253 118.600 -0.025 0.000 2.520 408 c HA 0.529 5.099 4.570 0.001 0.000 0.369 408 c C 0.358 174.445 174.090 -0.004 0.000 1.244 408 c CA -0.645 55.663 56.329 -0.035 0.000 1.677 408 c CB -1.047 41.405 42.510 -0.097 0.000 2.324 408 c HN 0.483 nan 8.230 nan 0.000 0.557 409 Q N 6.834 126.644 119.800 0.015 0.000 2.849 409 Q HA 0.302 4.643 4.340 0.001 0.000 0.289 409 Q C -2.072 173.955 176.000 0.046 0.000 1.012 409 Q CA -1.142 54.681 55.803 0.033 0.000 0.899 409 Q CB 1.105 29.858 28.738 0.026 0.000 1.235 409 Q HN 0.695 nan 8.270 nan 0.000 0.457 410 P HA 0.104 nan 4.420 nan 0.000 0.276 410 P C -0.548 176.792 177.300 0.066 0.000 1.252 410 P CA -0.555 62.604 63.100 0.099 0.000 0.802 410 P CB 1.018 32.846 31.700 0.213 0.000 1.035 411 R N 0.710 121.230 120.500 0.032 0.000 2.347 411 R HA 0.338 4.678 4.340 0.001 0.000 0.304 411 R C -0.968 175.283 176.300 -0.083 0.000 1.072 411 R CA -0.327 55.762 56.100 -0.019 0.000 0.980 411 R CB 0.243 30.529 30.300 -0.022 0.000 0.986 411 R HN 0.272 nan 8.270 nan 0.000 0.448 412 V N 3.429 123.254 119.914 -0.149 0.000 2.409 412 V HA 0.306 4.426 4.120 0.001 0.000 0.291 412 V C -0.455 175.499 176.094 -0.233 0.000 1.020 412 V CA -0.577 61.528 62.300 -0.325 0.000 0.848 412 V CB 1.859 33.441 31.823 -0.402 0.000 0.990 412 V HN 0.780 nan 8.190 nan 0.000 0.430 413 S N 3.452 119.004 115.700 -0.247 0.000 2.513 413 S HA 0.805 5.275 4.470 0.001 0.000 0.299 413 S C -0.579 173.925 174.600 -0.161 0.000 1.087 413 S CA -0.684 57.422 58.200 -0.157 0.000 1.012 413 S CB 2.115 65.247 63.200 -0.113 0.000 1.044 413 S HN 0.465 nan 8.310 nan 0.000 0.485 414 V N 2.722 122.570 119.914 -0.110 0.000 2.588 414 V HA 0.520 4.641 4.120 0.001 0.000 0.304 414 V C -0.807 175.252 176.094 -0.059 0.000 1.042 414 V CA -0.856 61.390 62.300 -0.089 0.000 0.877 414 V CB 1.923 33.702 31.823 -0.075 0.000 0.996 414 V HN 0.771 nan 8.190 nan 0.000 0.425 415 D N 1.346 121.717 120.400 -0.049 0.000 2.592 415 D HA 0.361 5.001 4.640 0.001 0.000 0.259 415 D C 1.428 177.713 176.300 -0.025 0.000 1.144 415 D CA 0.091 54.071 54.000 -0.034 0.000 1.080 415 D CB 1.454 42.236 40.800 -0.030 0.000 1.225 415 D HN 0.648 nan 8.370 nan 0.000 0.619 416 T N -2.255 112.289 114.554 -0.018 0.000 2.788 416 T HA -0.183 4.167 4.350 0.001 0.000 0.268 416 T C 0.867 175.560 174.700 -0.011 0.000 1.044 416 T CA 1.544 63.637 62.100 -0.011 0.000 1.139 416 T CB -0.117 68.747 68.868 -0.008 0.000 0.867 416 T HN 0.455 nan 8.240 nan 0.000 0.454 417 D N 1.001 121.393 120.400 -0.014 0.000 2.454 417 D HA 0.161 4.802 4.640 0.001 0.000 0.214 417 D C 0.675 176.965 176.300 -0.018 0.000 1.088 417 D CA 0.064 54.056 54.000 -0.013 0.000 0.855 417 D CB 0.019 40.813 40.800 -0.010 0.000 1.025 417 D HN 0.583 nan 8.370 nan 0.000 0.502 418 V N -2.043 117.858 119.914 -0.022 0.000 3.007 418 V HA 0.727 4.848 4.120 0.001 0.000 0.311 418 V C -0.670 175.402 176.094 -0.036 0.000 1.120 418 V CA -1.103 61.183 62.300 -0.022 0.000 0.980 418 V CB 2.324 34.136 31.823 -0.017 0.000 1.033 418 V HN -0.159 nan 8.190 nan 0.000 0.429 419 V N 3.230 123.126 119.914 -0.030 0.000 2.435 419 V HA 0.636 4.756 4.120 0.001 0.000 0.290 419 V C 0.080 176.120 176.094 -0.089 0.000 1.030 419 V CA -0.518 61.727 62.300 -0.093 0.000 0.881 419 V CB 1.539 33.313 31.823 -0.081 0.000 0.983 419 V HN 1.033 nan 8.190 nan 0.000 0.445 420 R N 3.667 124.047 120.500 -0.200 0.000 2.437 420 R HA 0.563 4.904 4.340 0.001 0.000 0.310 420 R C -1.789 174.355 176.300 -0.262 0.000 0.955 420 R CA -0.506 55.526 56.100 -0.114 0.000 0.851 420 R CB 1.067 31.322 30.300 -0.074 0.000 1.161 420 R HN 0.542 nan 8.270 nan 0.000 0.446 421 F N 2.934 122.866 119.950 -0.030 0.000 2.411 421 F HA 0.357 4.884 4.527 0.001 0.000 0.352 421 F C -0.095 175.685 175.800 -0.034 0.000 1.123 421 F CA -0.722 57.260 58.000 -0.030 0.000 1.044 421 F CB 1.664 40.644 39.000 -0.034 0.000 1.135 421 F HN 0.463 nan 8.300 nan 0.000 0.461 422 N N 2.725 121.483 118.700 0.098 0.000 2.546 422 N HA 0.615 5.355 4.740 0.001 0.000 0.238 422 N C -0.932 174.615 175.510 0.060 0.000 0.984 422 N CA -0.302 52.780 53.050 0.054 0.000 0.935 422 N CB 1.287 39.779 38.487 0.009 0.000 1.122 422 N HN 0.635 nan 8.380 nan 0.000 0.510 423 A N 1.686 124.538 122.820 0.054 0.000 2.350 423 A HA 0.524 4.844 4.320 0.001 0.000 0.324 423 A C -0.637 176.953 177.584 0.009 0.000 1.118 423 A CA -0.816 51.244 52.037 0.037 0.000 0.783 423 A CB 0.955 19.971 19.000 0.027 0.000 1.236 423 A HN 0.371 nan 8.150 nan 0.000 0.457 424 Q N 1.513 121.317 119.800 0.007 0.000 2.288 424 Q HA 0.183 4.523 4.340 0.001 0.000 0.258 424 Q C 0.681 176.679 176.000 -0.004 0.000 0.957 424 Q CA -0.465 55.338 55.803 -0.000 0.000 0.919 424 Q CB 1.404 30.152 28.738 0.016 0.000 1.185 424 Q HN 0.729 nan 8.270 nan 0.000 0.408 425 L N 2.944 124.145 121.223 -0.036 0.000 2.046 425 L HA -0.218 4.122 4.340 0.001 0.000 0.208 425 L C 2.152 179.016 176.870 -0.011 0.000 1.077 425 L CA 2.100 56.899 54.840 -0.070 0.000 0.747 425 L CB -0.708 41.209 42.059 -0.236 0.000 0.896 425 L HN 0.831 nan 8.230 nan 0.000 0.432 426 H N -0.158 118.870 119.070 -0.069 0.000 2.321 426 H HA -0.203 4.353 4.556 0.001 0.000 0.300 426 H C 2.101 177.436 175.328 0.012 0.000 1.087 426 H CA 2.163 58.205 56.048 -0.010 0.000 1.319 426 H CB 0.054 29.803 29.762 -0.022 0.000 1.379 426 H HN 0.623 nan 8.280 nan 0.000 0.501 427 E N -1.325 118.888 120.200 0.021 0.000 2.371 427 E HA -0.032 4.319 4.350 0.001 0.000 0.194 427 E C 1.311 177.875 176.600 -0.059 0.000 1.012 427 E CA 0.960 57.342 56.400 -0.029 0.000 0.860 427 E CB -0.217 29.515 29.700 0.053 0.000 0.811 427 E HN 0.410 nan 8.360 nan 0.000 0.502 428 c N 0.833 119.403 118.600 -0.050 0.000 2.926 428 c HA 0.284 4.854 4.570 0.001 0.000 0.272 428 c C 0.697 174.746 174.090 -0.068 0.000 1.249 428 c CA -0.436 55.849 56.329 -0.074 0.000 1.691 428 c CB -0.491 41.976 42.510 -0.072 0.000 1.983 428 c HN 0.225 nan 8.230 nan 0.000 0.615 429 S N 1.792 117.479 115.700 -0.022 0.000 2.430 429 S HA 0.083 4.553 4.470 0.001 0.000 0.282 429 S C 1.146 175.754 174.600 0.013 0.000 1.186 429 S CA -0.039 58.187 58.200 0.044 0.000 1.060 429 S CB 0.848 64.146 63.200 0.164 0.000 0.966 429 S HN 0.565 nan 8.310 nan 0.000 0.501 430 S N 2.953 118.672 115.700 0.032 0.000 2.414 430 S HA 0.028 4.499 4.470 0.001 0.000 0.227 430 S C 0.920 175.561 174.600 0.068 0.000 1.022 430 S CA 0.638 58.883 58.200 0.075 0.000 0.958 430 S CB 0.080 63.397 63.200 0.195 0.000 0.797 430 S HN 0.733 nan 8.310 nan 0.000 0.493 431 R N 0.670 121.208 120.500 0.063 0.000 2.651 431 R HA 0.520 4.860 4.340 0.001 0.000 0.278 431 R C -1.737 174.563 176.300 0.000 0.000 1.010 431 R CA -0.583 55.538 56.100 0.034 0.000 0.896 431 R CB 1.644 31.972 30.300 0.046 0.000 1.211 431 R HN 0.076 nan 8.270 nan 0.000 0.456 432 V N 1.093 120.975 119.914 -0.053 0.000 2.789 432 V HA 0.713 4.833 4.120 0.001 0.000 0.311 432 V C -1.132 174.881 176.094 -0.134 0.000 1.073 432 V CA -0.585 61.617 62.300 -0.163 0.000 0.921 432 V CB 1.649 33.342 31.823 -0.218 0.000 1.009 432 V HN 1.006 nan 8.190 nan 0.000 0.426 433 Q N 3.813 123.513 119.800 -0.167 0.000 2.630 433 Q HA 0.679 5.020 4.340 0.001 0.000 0.295 433 Q C -1.942 173.995 176.000 -0.106 0.000 0.944 433 Q CA -1.139 54.602 55.803 -0.104 0.000 0.766 433 Q CB 2.707 31.409 28.738 -0.061 0.000 1.471 433 Q HN 0.751 nan 8.270 nan 0.000 0.416 434 M N 2.095 121.657 119.600 -0.064 0.000 2.253 434 M HA 0.391 4.872 4.480 0.001 0.000 0.314 434 M C -0.333 175.953 176.300 -0.024 0.000 1.019 434 M CA -0.714 54.561 55.300 -0.042 0.000 0.932 434 M CB 2.265 34.846 32.600 -0.032 0.000 1.606 434 M HN 0.943 nan 8.290 nan 0.000 0.430 435 T N -1.549 112.997 114.554 -0.013 0.000 2.852 435 T HA 0.344 4.694 4.350 0.001 0.000 0.281 435 T C 0.998 175.698 174.700 0.000 0.000 0.993 435 T CA -0.738 61.358 62.100 -0.007 0.000 0.933 435 T CB 1.522 70.389 68.868 -0.002 0.000 1.187 435 T HN 0.794 nan 8.240 nan 0.000 0.559 436 K N -0.040 120.361 120.400 0.003 0.000 2.063 436 K HA -0.175 4.145 4.320 0.001 0.000 0.208 436 K C 1.035 177.645 176.600 0.016 0.000 1.048 436 K CA 2.072 58.364 56.287 0.009 0.000 0.928 436 K CB -0.284 32.222 32.500 0.009 0.000 0.713 436 K HN 0.569 nan 8.250 nan 0.000 0.442 437 D N -0.858 119.553 120.400 0.020 0.000 2.366 437 D HA 0.190 4.831 4.640 0.001 0.000 0.205 437 D C -0.460 175.860 176.300 0.035 0.000 1.022 437 D CA 0.433 54.449 54.000 0.027 0.000 0.868 437 D CB 1.050 41.867 40.800 0.028 0.000 0.953 437 D HN 0.302 nan 8.370 nan 0.000 0.514 438 A N -0.042 122.798 122.820 0.034 0.000 2.556 438 A HA 0.695 5.016 4.320 0.001 0.000 0.294 438 A C -1.412 176.201 177.584 0.049 0.000 1.091 438 A CA -0.645 51.425 52.037 0.054 0.000 0.704 438 A CB 1.133 20.161 19.000 0.046 0.000 1.300 438 A HN 0.039 nan 8.150 nan 0.000 0.406 439 L N 1.435 122.717 121.223 0.098 0.000 2.282 439 L HA 0.566 4.906 4.340 0.001 0.000 0.288 439 L C -0.886 176.015 176.870 0.052 0.000 1.033 439 L CA -0.895 53.966 54.840 0.035 0.000 0.807 439 L CB 1.494 43.603 42.059 0.083 0.000 1.209 439 L HN 0.415 nan 8.230 nan 0.000 0.423 440 V N 3.214 123.060 119.914 -0.113 0.000 2.417 440 V HA 0.375 4.495 4.120 0.001 0.000 0.291 440 V C -0.864 175.115 176.094 -0.191 0.000 1.024 440 V CA -0.638 61.642 62.300 -0.034 0.000 0.861 440 V CB 1.293 33.109 31.823 -0.011 0.000 0.985 440 V HN 0.392 nan 8.190 nan 0.000 0.436 441 Y N 1.916 122.292 120.300 0.127 0.000 2.328 441 Y HA 0.652 5.202 4.550 0.001 0.000 0.337 441 Y C 0.573 176.523 175.900 0.084 0.000 0.966 441 Y CA -0.426 57.738 58.100 0.107 0.000 1.136 441 Y CB 2.069 40.617 38.460 0.147 0.000 1.170 441 Y HN 0.580 nan 8.280 nan 0.000 0.470 442 S N 1.642 117.445 115.700 0.171 0.000 2.526 442 S HA 0.772 5.242 4.470 0.001 0.000 0.293 442 S C -0.364 174.303 174.600 0.113 0.000 1.092 442 S CA -0.685 57.594 58.200 0.132 0.000 0.980 442 S CB 2.350 65.609 63.200 0.098 0.000 1.048 442 S HN 0.695 nan 8.310 nan 0.000 0.483 443 T N 1.212 115.824 114.554 0.096 0.000 2.598 443 T HA 0.801 5.151 4.350 0.001 0.000 0.289 443 T C -2.041 172.731 174.700 0.120 0.000 1.056 443 T CA -0.656 61.469 62.100 0.042 0.000 1.088 443 T CB 0.523 69.293 68.868 -0.163 0.000 1.519 443 T HN 0.517 nan 8.240 nan 0.000 0.488 444 F N 0.783 120.727 119.950 -0.010 0.000 2.588 444 F HA 0.872 5.399 4.527 0.001 0.000 0.310 444 F C -1.516 174.246 175.800 -0.064 0.000 1.082 444 F CA -1.443 56.546 58.000 -0.018 0.000 0.929 444 F CB 1.009 40.004 39.000 -0.007 0.000 1.254 444 F HN 0.435 nan 8.300 nan 0.000 0.455 445 L N 3.884 125.155 121.223 0.079 0.000 2.296 445 L HA 0.750 5.090 4.340 0.001 0.000 0.286 445 L C -1.604 175.336 176.870 0.117 0.000 1.023 445 L CA -0.771 54.047 54.840 -0.037 0.000 0.812 445 L CB 1.442 43.435 42.059 -0.109 0.000 1.223 445 L HN 0.817 nan 8.230 nan 0.000 0.421 446 L N 5.143 126.440 121.223 0.123 0.000 2.341 446 L HA 0.477 4.817 4.340 0.001 0.000 0.278 446 L C -1.107 175.867 176.870 0.174 0.000 1.005 446 L CA -0.181 54.763 54.840 0.173 0.000 0.818 446 L CB 1.290 43.478 42.059 0.214 0.000 1.259 446 L HN 0.701 nan 8.230 nan 0.000 0.418 447 H N 3.954 123.080 119.070 0.093 0.000 2.541 447 H HA 0.383 4.939 4.556 0.001 0.000 0.316 447 H C -1.508 173.896 175.328 0.126 0.000 1.043 447 H CA -0.413 55.701 56.048 0.110 0.000 1.232 447 H CB 1.307 31.135 29.762 0.111 0.000 1.406 447 H HN 0.639 nan 8.280 nan 0.000 0.469 448 D N 7.598 127.819 120.400 -0.299 0.000 2.336 448 D HA 0.148 4.788 4.640 0.001 0.000 0.248 448 D C -2.364 173.786 176.300 -0.250 0.000 1.326 448 D CA -1.760 52.109 54.000 -0.218 0.000 0.973 448 D CB 1.728 42.496 40.800 -0.053 0.000 1.255 448 D HN 0.361 nan 8.370 nan 0.000 0.558 449 P HA 0.089 nan 4.420 nan 0.000 0.246 449 P C -0.138 177.132 177.300 -0.050 0.000 1.686 449 P CA -0.402 62.612 63.100 -0.143 0.000 0.867 449 P CB -0.162 31.497 31.700 -0.068 0.000 1.733 450 R N 2.035 122.509 120.500 -0.044 0.000 2.623 450 R HA 0.203 4.543 4.340 0.001 0.000 0.271 450 R C -1.737 174.561 176.300 -0.004 0.000 1.043 450 R CA -1.445 54.646 56.100 -0.016 0.000 1.083 450 R CB -0.901 29.393 30.300 -0.010 0.000 0.974 450 R HN 0.277 nan 8.270 nan 0.000 0.436 451 P HA 0.114 nan 4.420 nan 0.000 0.291 451 P C -0.252 177.051 177.300 0.004 0.000 1.340 451 P CA -0.475 62.627 63.100 0.002 0.000 0.799 451 P CB 1.041 32.744 31.700 0.005 0.000 0.917 452 V N 3.473 123.388 119.914 0.001 0.000 2.529 452 V HA -0.029 4.091 4.120 0.001 0.000 0.292 452 V C 1.340 177.438 176.094 0.005 0.000 1.028 452 V CA 0.739 63.042 62.300 0.006 0.000 1.074 452 V CB 0.589 32.414 31.823 0.002 0.000 0.958 452 V HN 0.618 nan 8.190 nan 0.000 0.481 453 S N 4.385 120.090 115.700 0.008 0.000 2.436 453 S HA 0.164 4.635 4.470 0.001 0.000 0.228 453 S C 0.814 175.416 174.600 0.004 0.000 1.014 453 S CA 0.700 58.904 58.200 0.007 0.000 0.950 453 S CB 0.026 63.231 63.200 0.009 0.000 0.784 453 S HN 1.056 nan 8.310 nan 0.000 0.504 454 G N 0.864 109.666 108.800 0.003 0.000 2.461 454 G HA2 0.566 4.526 3.960 0.001 0.000 0.329 454 G HA3 0.566 4.526 3.960 0.001 0.000 0.329 454 G C -0.864 174.033 174.900 -0.005 0.000 1.170 454 G CA -0.692 44.407 45.100 -0.001 0.000 0.935 454 G HN 0.229 nan 8.290 nan 0.000 0.492 455 L N 0.687 121.907 121.223 -0.006 0.000 2.455 455 L HA 0.397 4.738 4.340 0.001 0.000 0.272 455 L C 0.392 177.253 176.870 -0.014 0.000 1.174 455 L CA 0.060 54.895 54.840 -0.008 0.000 0.869 455 L CB 0.991 43.047 42.059 -0.006 0.000 1.130 455 L HN 0.240 nan 8.230 nan 0.000 0.474 456 S N 6.081 121.772 115.700 -0.016 0.000 2.423 456 S HA 0.389 4.859 4.470 0.001 0.000 0.317 456 S C 0.776 175.362 174.600 -0.024 0.000 1.065 456 S CA -0.520 57.664 58.200 -0.026 0.000 1.111 456 S CB 0.690 63.875 63.200 -0.024 0.000 0.968 456 S HN 0.553 nan 8.310 nan 0.000 0.474 457 I N 2.384 122.937 120.570 -0.029 0.000 3.284 457 I HA 0.156 4.326 4.170 0.001 0.000 0.231 457 I C 1.916 178.019 176.117 -0.023 0.000 1.041 457 I CA 0.783 62.070 61.300 -0.022 0.000 1.478 457 I CB -0.391 37.598 38.000 -0.018 0.000 1.340 457 I HN 0.510 nan 8.210 nan 0.000 0.449 458 L N -0.321 120.884 121.223 -0.031 0.000 2.115 458 L HA 0.102 4.443 4.340 0.001 0.000 0.200 458 L C 0.792 177.644 176.870 -0.030 0.000 1.094 458 L CA 0.667 55.493 54.840 -0.023 0.000 0.769 458 L CB -0.243 41.805 42.059 -0.019 0.000 0.931 458 L HN 0.068 nan 8.230 nan 0.000 0.455 459 R N -0.120 120.341 120.500 -0.065 0.000 2.457 459 R HA 0.229 4.569 4.340 0.001 0.000 0.284 459 R C -0.126 176.113 176.300 -0.103 0.000 1.024 459 R CA -0.254 55.797 56.100 -0.083 0.000 1.025 459 R CB 1.237 31.444 30.300 -0.156 0.000 1.063 459 R HN -0.065 nan 8.270 nan 0.000 0.493 460 T N 0.841 115.365 114.554 -0.051 0.000 2.884 460 T HA 0.060 4.411 4.350 0.001 0.000 0.298 460 T C 0.923 175.590 174.700 -0.055 0.000 0.998 460 T CA -0.501 61.580 62.100 -0.032 0.000 1.124 460 T CB 0.416 69.297 68.868 0.022 0.000 0.931 460 T HN 0.425 nan 8.240 nan 0.000 0.531 461 N N 3.079 121.745 118.700 -0.058 0.000 2.494 461 N HA 0.017 4.758 4.740 0.001 0.000 0.182 461 N C 0.698 176.420 175.510 0.353 0.000 1.076 461 N CA 0.302 53.385 53.050 0.055 0.000 0.908 461 N CB -0.089 38.434 38.487 0.060 0.000 0.967 461 N HN 0.559 nan 8.380 nan 0.000 0.449 462 R N 1.184 121.796 120.500 0.186 0.000 2.296 462 R HA 0.251 4.591 4.340 0.001 0.000 0.323 462 R C -1.100 175.331 176.300 0.217 0.000 1.067 462 R CA 0.021 56.223 56.100 0.170 0.000 0.946 462 R CB 0.309 30.655 30.300 0.077 0.000 0.991 462 R HN -0.227 nan 8.270 nan 0.000 0.448 463 V N 3.879 123.950 119.914 0.262 0.000 2.656 463 V HA 0.387 4.508 4.120 0.001 0.000 0.307 463 V C -0.542 175.647 176.094 0.159 0.000 1.051 463 V CA -0.821 61.607 62.300 0.213 0.000 0.893 463 V CB 1.881 33.840 31.823 0.227 0.000 0.999 463 V HN 0.761 nan 8.190 nan 0.000 0.426 464 E N 2.671 122.940 120.200 0.116 0.000 2.263 464 E HA 0.707 5.057 4.350 0.001 0.000 0.268 464 E C -1.645 175.014 176.600 0.098 0.000 0.884 464 E CA -0.530 55.934 56.400 0.108 0.000 0.766 464 E CB 2.432 32.170 29.700 0.062 0.000 1.196 464 E HN 0.674 nan 8.360 nan 0.000 0.416 465 V N 1.264 121.248 119.914 0.116 0.000 2.823 465 V HA 0.717 4.837 4.120 0.001 0.000 0.312 465 V C -2.704 173.475 176.094 0.141 0.000 1.072 465 V CA -2.480 59.886 62.300 0.110 0.000 0.937 465 V CB 1.563 33.446 31.823 0.100 0.000 1.013 465 V HN 0.547 nan 8.190 nan 0.000 0.430 466 P HA 0.420 nan 4.420 nan 0.000 0.282 466 P C -1.042 176.387 177.300 0.214 0.000 1.262 466 P CA 0.004 63.196 63.100 0.154 0.000 0.773 466 P CB 1.026 32.783 31.700 0.094 0.000 0.879 467 I N 3.221 123.897 120.570 0.178 0.000 2.355 467 I HA 0.424 4.594 4.170 0.001 0.000 0.288 467 I C 0.447 176.668 176.117 0.174 0.000 0.999 467 I CA -0.481 60.916 61.300 0.161 0.000 1.163 467 I CB 1.026 39.037 38.000 0.018 0.000 1.316 467 I HN 0.472 nan 8.210 nan 0.000 0.454 468 E N 5.272 125.630 120.200 0.264 0.000 2.308 468 E HA 0.534 4.884 4.350 0.001 0.000 0.275 468 E C -1.879 174.849 176.600 0.213 0.000 0.890 468 E CA -0.389 56.150 56.400 0.231 0.000 0.754 468 E CB 2.171 31.992 29.700 0.202 0.000 1.207 468 E HN 0.614 nan 8.360 nan 0.000 0.426 469 c N 3.415 122.116 118.600 0.168 0.000 2.455 469 c HA 0.606 5.177 4.570 0.001 0.000 0.320 469 c C -0.606 173.503 174.090 0.031 0.000 1.226 469 c CA -0.652 55.703 56.329 0.045 0.000 1.569 469 c CB 0.861 43.413 42.510 0.071 0.000 2.200 469 c HN 0.689 nan 8.230 nan 0.000 0.491 470 R N 2.062 122.437 120.500 -0.207 0.000 2.439 470 R HA 0.545 4.886 4.340 0.001 0.000 0.310 470 R C -1.850 174.256 176.300 -0.323 0.000 0.955 470 R CA -0.413 55.619 56.100 -0.113 0.000 0.853 470 R CB 1.503 31.779 30.300 -0.040 0.000 1.171 470 R HN 0.666 nan 8.270 nan 0.000 0.449 471 Y N 2.413 122.795 120.300 0.137 0.000 2.341 471 Y HA 0.319 4.869 4.550 0.001 0.000 0.338 471 Y C -2.024 173.918 175.900 0.070 0.000 0.965 471 Y CA -2.942 55.220 58.100 0.102 0.000 1.108 471 Y CB 1.597 40.142 38.460 0.142 0.000 1.180 471 Y HN 0.409 nan 8.280 nan 0.000 0.458 472 P HA 0.023 nan 4.420 nan 0.000 0.262 472 P C -0.241 177.119 177.300 0.101 0.000 1.182 472 P CA 0.259 63.416 63.100 0.096 0.000 0.761 472 P CB 0.555 32.290 31.700 0.058 0.000 0.795 473 R N 2.341 122.884 120.500 0.072 0.000 2.560 473 R HA 0.603 4.944 4.340 0.001 0.000 0.270 473 R C 0.169 176.493 176.300 0.039 0.000 1.074 473 R CA -0.428 55.706 56.100 0.056 0.000 1.140 473 R CB 0.361 30.686 30.300 0.042 0.000 1.073 473 R HN 0.457 nan 8.270 nan 0.000 0.527 474 L N 0.000 121.242 121.223 0.031 0.000 2.949 474 L HA 0.000 4.340 4.340 0.001 0.000 0.249 474 L CA 0.000 54.852 54.840 0.021 0.000 0.813 474 L CB 0.000 42.069 42.059 0.017 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502