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 2ix6_1_E DATA FIRST_RESID 17 DATA SEQUENCE KSSYFDLPPM EMSVAFPQAT PASTFPPCTS DYYHFNDLLT PEEQAIRKKV DATA SEQUENCE RECMEKEVAP IMTEYWEKAE FPFHITPKLG AMGVAGGSIK GYGCPGLSIT DATA SEQUENCE ANAIATAEIA RVDASCSTFI LVHSSLGMLT IALCGSEAQK EKYLPSLAQL DATA SEQUENCE NTVACWALTE PDNGSDASGL GTTATKVEGG WKINGQKRWI GNSTFADLLI DATA SEQUENCE IFARNTTTNQ INGFIVKKDA PGLKATKIPN KIGLRMVQNG DILLQNVFVP DATA SEQUENCE DEDRLPGVNS FQDTSKVLAV SRVMVAWQPI GISMGIYDMC HRYLKERKQF DATA SEQUENCE GAPLAAFQLN QQKLVQMLGN VQAMFLMGWR LCKLYETGQM TPGQASLGKA DATA SEQUENCE WISSKARETA SLGRELLGGN GILADFLVAK AFCDLEPIYT YEGTYDINTL DATA SEQUENCE VTGREVTGIA SFKPATR 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.413 176.600 -0.312 0.000 0.988 17 K CA 0.000 56.054 56.287 -0.387 0.000 0.838 17 K CB 0.000 32.402 32.500 -0.163 0.000 1.064 18 S N -0.492 115.082 115.700 -0.210 0.000 2.587 18 S HA 0.296 4.765 4.470 -0.001 0.000 0.269 18 S C 0.256 174.703 174.600 -0.255 0.000 1.154 18 S CA -0.060 57.941 58.200 -0.331 0.000 0.824 18 S CB 1.455 64.282 63.200 -0.622 0.000 1.118 18 S HN 0.953 nan 8.310 nan 0.000 0.462 19 S N 1.193 116.687 115.700 -0.344 0.000 2.474 19 S HA -0.085 4.385 4.470 -0.001 0.000 0.235 19 S C 1.106 175.684 174.600 -0.036 0.000 0.997 19 S CA 1.413 59.528 58.200 -0.142 0.000 0.949 19 S CB -0.717 62.443 63.200 -0.067 0.000 0.766 19 S HN 0.968 nan 8.310 nan 0.000 0.517 20 Y N -2.279 118.079 120.300 0.097 0.000 2.500 20 Y HA 0.553 5.103 4.550 -0.001 0.000 0.246 20 Y C 1.344 177.319 175.900 0.125 0.000 1.146 20 Y CA -1.738 56.414 58.100 0.088 0.000 1.230 20 Y CB -0.718 37.782 38.460 0.068 0.000 1.214 20 Y HN 0.153 nan 8.280 nan 0.000 0.526 21 F N 2.239 122.192 119.950 0.004 0.000 2.259 21 F HA -0.040 4.486 4.527 -0.001 0.000 0.298 21 F C 1.443 177.271 175.800 0.046 0.000 1.088 21 F CA 1.546 59.571 58.000 0.041 0.000 1.358 21 F CB 0.013 38.989 39.000 -0.041 0.000 1.040 21 F HN 0.033 nan 8.300 nan 0.000 0.505 22 D N 0.444 120.851 120.400 0.011 0.000 2.289 22 D HA 0.028 4.668 4.640 -0.001 0.000 0.207 22 D C 0.807 177.071 176.300 -0.061 0.000 0.966 22 D CA 0.291 54.248 54.000 -0.072 0.000 0.868 22 D CB -0.068 40.740 40.800 0.014 0.000 0.943 22 D HN 0.191 nan 8.370 nan 0.000 0.514 23 L N 2.281 123.502 121.223 -0.003 0.000 2.525 23 L HA 0.043 4.383 4.340 -0.001 0.000 0.278 23 L C -1.780 175.077 176.870 -0.022 0.000 1.218 23 L CA -1.133 53.713 54.840 0.010 0.000 0.878 23 L CB -0.075 42.020 42.059 0.060 0.000 1.127 23 L HN -0.174 nan 8.230 nan 0.000 0.492 24 P HA 0.119 nan 4.420 nan 0.000 0.267 24 P C -2.319 174.971 177.300 -0.016 0.000 1.200 24 P CA -0.816 62.269 63.100 -0.025 0.000 0.772 24 P CB -0.256 31.435 31.700 -0.015 0.000 0.855 25 P HA 0.027 nan 4.420 nan 0.000 0.266 25 P C -0.083 177.220 177.300 0.006 0.000 1.186 25 P CA 0.167 63.263 63.100 -0.006 0.000 0.767 25 P CB 0.270 31.967 31.700 -0.005 0.000 0.820 26 M N 2.521 122.131 119.600 0.015 0.000 2.238 26 M HA 0.019 4.499 4.480 -0.001 0.000 0.350 26 M C 0.462 176.780 176.300 0.029 0.000 1.321 26 M CA 0.073 55.386 55.300 0.022 0.000 1.097 26 M CB 0.317 32.935 32.600 0.029 0.000 1.713 26 M HN 0.303 nan 8.290 nan 0.000 0.455 27 E N 4.273 124.488 120.200 0.024 0.000 2.442 27 E HA -0.065 4.285 4.350 -0.001 0.000 0.262 27 E C 0.754 177.381 176.600 0.044 0.000 1.004 27 E CA 0.048 56.463 56.400 0.025 0.000 0.928 27 E CB 0.667 30.378 29.700 0.018 0.000 0.937 27 E HN 0.781 nan 8.360 nan 0.000 0.446 28 M N 1.588 121.214 119.600 0.042 0.000 2.358 28 M HA -0.151 4.328 4.480 -0.001 0.000 0.264 28 M C 2.094 178.452 176.300 0.096 0.000 1.064 28 M CA 1.128 56.474 55.300 0.077 0.000 1.093 28 M CB -0.888 31.722 32.600 0.017 0.000 1.401 28 M HN 0.409 nan 8.290 nan 0.000 0.440 29 S N -0.326 115.407 115.700 0.055 0.000 2.402 29 S HA -0.055 4.414 4.470 -0.001 0.000 0.229 29 S C 1.761 176.384 174.600 0.038 0.000 1.021 29 S CA 1.086 59.312 58.200 0.043 0.000 0.974 29 S CB 0.159 63.373 63.200 0.023 0.000 0.800 29 S HN 0.311 nan 8.310 nan 0.000 0.484 30 V N 1.031 120.969 119.914 0.041 0.000 2.795 30 V HA 0.279 4.398 4.120 -0.001 0.000 0.243 30 V C 2.703 178.825 176.094 0.046 0.000 1.069 30 V CA 0.991 63.308 62.300 0.027 0.000 1.089 30 V CB -0.886 30.948 31.823 0.018 0.000 0.756 30 V HN 0.493 nan 8.190 nan 0.000 0.471 31 A N -0.919 121.953 122.820 0.087 0.000 1.930 31 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 31 A C 1.098 178.819 177.584 0.230 0.000 1.175 31 A CA 1.485 53.600 52.037 0.131 0.000 0.627 31 A CB -0.211 18.872 19.000 0.138 0.000 0.815 31 A HN 0.491 nan 8.150 nan 0.000 0.443 32 F N -1.054 118.935 119.950 0.065 0.000 3.228 32 F HA 0.408 4.935 4.527 -0.001 0.000 0.390 32 F C -2.569 173.273 175.800 0.071 0.000 1.235 32 F CA -1.685 56.363 58.000 0.079 0.000 1.236 32 F CB 1.644 40.737 39.000 0.156 0.000 1.855 32 F HN -0.044 nan 8.300 nan 0.000 0.647 33 P HA -0.076 nan 4.420 nan 0.000 0.222 33 P C 1.264 178.494 177.300 -0.116 0.000 1.153 33 P CA 1.035 64.090 63.100 -0.074 0.000 0.798 33 P CB 0.239 31.877 31.700 -0.105 0.000 0.796 34 Q N -0.596 119.000 119.800 -0.339 0.000 2.226 34 Q HA -0.006 4.334 4.340 -0.001 0.000 0.204 34 Q C 0.681 176.626 176.000 -0.091 0.000 0.975 34 Q CA 0.860 56.492 55.803 -0.285 0.000 0.866 34 Q CB -0.183 28.261 28.738 -0.491 0.000 0.915 34 Q HN 0.190 nan 8.270 nan 0.000 0.440 35 A N 0.135 123.043 122.820 0.147 0.000 2.380 35 A HA 0.517 4.837 4.320 -0.001 0.000 0.315 35 A C -0.672 177.101 177.584 0.315 0.000 1.101 35 A CA -0.581 51.586 52.037 0.216 0.000 0.771 35 A CB 1.650 20.770 19.000 0.199 0.000 1.287 35 A HN -0.042 nan 8.150 nan 0.000 0.436 36 T N 4.445 119.131 114.554 0.220 0.000 2.771 36 T HA 0.526 4.876 4.350 -0.001 0.000 0.291 36 T C -2.240 172.520 174.700 0.100 0.000 0.954 36 T CA -0.736 61.443 62.100 0.132 0.000 1.045 36 T CB 0.913 69.819 68.868 0.064 0.000 0.917 36 T HN 0.578 nan 8.240 nan 0.000 0.484 37 P HA 0.213 nan 4.420 nan 0.000 0.275 37 P C 0.473 177.627 177.300 -0.242 0.000 1.270 37 P CA -0.406 62.392 63.100 -0.503 0.000 0.791 37 P CB 0.597 31.987 31.700 -0.517 0.000 1.089 38 A N 0.188 122.852 122.820 -0.260 0.000 2.168 38 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 38 A C 2.237 179.835 177.584 0.022 0.000 1.152 38 A CA 1.216 53.187 52.037 -0.110 0.000 0.716 38 A CB -1.495 17.466 19.000 -0.064 0.000 0.794 38 A HN 0.515 nan 8.150 nan 0.000 0.465 39 S N 0.122 115.802 115.700 -0.032 0.000 2.372 39 S HA -0.117 4.353 4.470 -0.001 0.000 0.227 39 S C 0.969 175.607 174.600 0.064 0.000 1.044 39 S CA 1.670 59.880 58.200 0.016 0.000 1.050 39 S CB -0.444 62.743 63.200 -0.022 0.000 0.901 39 S HN 0.640 nan 8.310 nan 0.000 0.447 40 T N 2.604 117.185 114.554 0.045 0.000 2.811 40 T HA 0.390 4.740 4.350 -0.001 0.000 0.309 40 T C -0.449 174.314 174.700 0.105 0.000 1.005 40 T CA -0.392 61.755 62.100 0.078 0.000 0.955 40 T CB -0.106 68.790 68.868 0.047 0.000 0.970 40 T HN 0.128 nan 8.240 nan 0.000 0.496 41 F N 5.101 125.062 119.950 0.018 0.000 2.529 41 F HA 0.294 4.821 4.527 -0.000 0.000 0.365 41 F C -1.754 174.076 175.800 0.050 0.000 1.102 41 F CA -1.860 56.158 58.000 0.030 0.000 1.271 41 F CB 0.435 39.453 39.000 0.031 0.000 1.120 41 F HN 0.357 nan 8.300 nan 0.000 0.579 42 P HA 0.057 nan 4.420 nan 0.000 0.268 42 P C -2.496 174.861 177.300 0.094 0.000 1.208 42 P CA -0.661 62.369 63.100 -0.117 0.000 0.777 42 P CB -0.175 31.370 31.700 -0.259 0.000 0.875 43 P HA -0.003 nan 4.420 nan 0.000 0.274 43 P C -0.400 176.989 177.300 0.149 0.000 1.237 43 P CA -0.294 62.890 63.100 0.139 0.000 0.793 43 P CB 0.558 32.325 31.700 0.113 0.000 0.977 44 C N 3.066 122.456 119.300 0.149 0.000 2.423 44 C HA 0.189 4.649 4.460 -0.001 0.000 0.378 44 C C 1.743 176.797 174.990 0.106 0.000 1.068 44 C CA 0.454 59.561 59.018 0.149 0.000 1.371 44 C CB -2.424 25.401 27.740 0.141 0.000 1.856 44 C HN 0.664 nan 8.230 nan 0.000 0.523 45 T N -0.321 114.296 114.554 0.105 0.000 3.069 45 T HA 0.012 4.362 4.350 -0.001 0.000 0.252 45 T C 1.481 176.227 174.700 0.076 0.000 1.053 45 T CA 0.673 62.788 62.100 0.025 0.000 0.964 45 T CB -0.119 68.617 68.868 -0.220 0.000 1.005 45 T HN 0.739 nan 8.240 nan 0.000 0.532 46 S N 0.695 116.463 115.700 0.113 0.000 2.470 46 S HA 0.008 4.478 4.470 -0.001 0.000 0.225 46 S C 0.946 175.489 174.600 -0.096 0.000 1.006 46 S CA -0.009 58.135 58.200 -0.094 0.000 0.934 46 S CB -0.425 62.820 63.200 0.075 0.000 0.778 46 S HN 0.470 nan 8.310 nan 0.000 0.517 47 D N 0.719 121.106 120.400 -0.020 0.000 2.545 47 D HA 0.049 4.689 4.640 -0.001 0.000 0.227 47 D C -0.127 176.070 176.300 -0.172 0.000 1.150 47 D CA -0.228 53.699 54.000 -0.122 0.000 1.046 47 D CB -0.035 40.734 40.800 -0.051 0.000 1.098 47 D HN 0.403 nan 8.370 nan 0.000 0.502 48 Y N 2.412 122.482 120.300 -0.384 0.000 2.476 48 Y HA -0.033 4.517 4.550 -0.001 0.000 0.283 48 Y C 0.609 176.431 175.900 -0.130 0.000 1.109 48 Y CA 0.649 58.600 58.100 -0.248 0.000 1.246 48 Y CB 0.184 38.489 38.460 -0.257 0.000 1.068 48 Y HN 0.277 nan 8.280 nan 0.000 0.552 49 Y N 0.576 120.446 120.300 -0.716 0.000 2.583 49 Y HA 0.202 4.751 4.550 -0.001 0.000 0.294 49 Y C 0.126 175.588 175.900 -0.729 0.000 1.170 49 Y CA -0.358 57.308 58.100 -0.724 0.000 1.265 49 Y CB -1.626 36.492 38.460 -0.570 0.000 1.119 49 Y HN 0.221 nan 8.280 nan 0.000 0.522 50 H N -0.886 117.807 119.070 -0.629 0.000 2.631 50 H HA -0.252 4.303 4.556 -0.001 0.000 0.322 50 H C 0.202 175.320 175.328 -0.351 0.000 1.035 50 H CA -0.125 55.674 56.048 -0.416 0.000 1.070 50 H CB -1.580 28.023 29.762 -0.264 0.000 1.622 50 H HN 0.401 nan 8.280 nan 0.000 0.373 51 F N 1.118 120.840 119.950 -0.380 0.000 2.661 51 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 51 F C 1.996 177.601 175.800 -0.325 0.000 1.137 51 F CA 0.293 58.029 58.000 -0.439 0.000 1.454 51 F CB -0.016 38.461 39.000 -0.871 0.000 1.103 51 F HN 0.386 nan 8.300 nan 0.000 0.577 52 N N 0.419 118.948 118.700 -0.285 0.000 2.443 52 N HA -0.155 4.585 4.740 -0.001 0.000 0.184 52 N C 1.132 176.558 175.510 -0.141 0.000 1.037 52 N CA 0.976 53.904 53.050 -0.204 0.000 0.896 52 N CB -0.379 37.938 38.487 -0.283 0.000 0.959 52 N HN 0.228 nan 8.380 nan 0.000 0.442 53 D N -0.163 120.129 120.400 -0.179 0.000 2.224 53 D HA -0.021 4.619 4.640 -0.001 0.000 0.205 53 D C 1.529 177.812 176.300 -0.030 0.000 0.965 53 D CA 0.587 54.547 54.000 -0.067 0.000 0.852 53 D CB 0.055 40.826 40.800 -0.048 0.000 0.947 53 D HN 0.339 nan 8.370 nan 0.000 0.494 54 L N 0.005 121.195 121.223 -0.056 0.000 2.558 54 L HA 0.139 4.478 4.340 -0.001 0.000 0.225 54 L C 0.676 177.652 176.870 0.177 0.000 1.128 54 L CA 0.127 54.914 54.840 -0.088 0.000 0.868 54 L CB 0.018 41.728 42.059 -0.583 0.000 1.006 54 L HN -0.149 nan 8.230 nan 0.000 0.454 55 L N -0.688 120.621 121.223 0.144 0.000 2.334 55 L HA 0.398 4.737 4.340 -0.001 0.000 0.272 55 L C 0.670 177.609 176.870 0.114 0.000 1.020 55 L CA -0.654 54.288 54.840 0.169 0.000 0.812 55 L CB 1.697 43.847 42.059 0.153 0.000 1.264 55 L HN -0.007 nan 8.230 nan 0.000 0.439 56 T N -2.155 112.462 114.554 0.104 0.000 2.882 56 T HA 0.254 4.604 4.350 -0.001 0.000 0.287 56 T C -1.952 172.779 174.700 0.053 0.000 1.014 56 T CA -1.621 60.523 62.100 0.072 0.000 1.049 56 T CB 1.239 70.144 68.868 0.062 0.000 1.001 56 T HN 0.332 nan 8.240 nan 0.000 0.525 57 P HA -0.139 nan 4.420 nan 0.000 0.216 57 P C 1.417 178.735 177.300 0.031 0.000 1.154 57 P CA 1.188 64.309 63.100 0.034 0.000 0.865 57 P CB 0.100 31.818 31.700 0.029 0.000 0.789 58 E N -0.293 119.924 120.200 0.028 0.000 2.107 58 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 58 E C 1.842 178.455 176.600 0.023 0.000 0.982 58 E CA 0.882 57.295 56.400 0.022 0.000 0.809 58 E CB -0.139 29.572 29.700 0.017 0.000 0.756 58 E HN 0.280 nan 8.360 nan 0.000 0.459 59 E N 0.354 120.572 120.200 0.029 0.000 2.077 59 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 59 E C 2.230 178.854 176.600 0.040 0.000 0.989 59 E CA 1.129 57.547 56.400 0.030 0.000 0.800 59 E CB -0.004 29.724 29.700 0.046 0.000 0.746 59 E HN 0.310 nan 8.360 nan 0.000 0.452 60 Q N 0.069 119.897 119.800 0.047 0.000 2.096 60 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 60 Q C 2.227 178.251 176.000 0.040 0.000 0.982 60 Q CA 1.398 57.230 55.803 0.047 0.000 0.850 60 Q CB -0.165 28.596 28.738 0.038 0.000 0.901 60 Q HN 0.256 nan 8.270 nan 0.000 0.422 61 A N 0.621 123.460 122.820 0.032 0.000 1.930 61 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 61 A C 1.998 179.597 177.584 0.024 0.000 1.175 61 A CA 1.071 53.124 52.037 0.027 0.000 0.627 61 A CB -0.508 18.505 19.000 0.023 0.000 0.815 61 A HN 0.299 nan 8.150 nan 0.000 0.443 62 I N -1.131 119.452 120.570 0.021 0.000 2.252 62 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 62 I C 2.656 178.786 176.117 0.020 0.000 1.102 62 I CA 1.411 62.720 61.300 0.014 0.000 1.385 62 I CB -0.332 37.668 38.000 0.001 0.000 1.064 62 I HN 0.338 nan 8.210 nan 0.000 0.414 63 R N 1.508 122.028 120.500 0.033 0.000 2.094 63 R HA -0.260 4.080 4.340 -0.001 0.000 0.239 63 R C 2.392 178.722 176.300 0.050 0.000 1.137 63 R CA 2.048 58.179 56.100 0.053 0.000 0.943 63 R CB -0.230 30.119 30.300 0.082 0.000 0.850 63 R HN 0.232 nan 8.270 nan 0.000 0.433 64 K N 0.682 121.110 120.400 0.046 0.000 2.057 64 K HA -0.202 4.118 4.320 -0.001 0.000 0.207 64 K C 2.188 178.806 176.600 0.030 0.000 1.049 64 K CA 1.648 57.961 56.287 0.042 0.000 0.931 64 K CB -0.116 32.408 32.500 0.040 0.000 0.714 64 K HN 0.070 nan 8.250 nan 0.000 0.440 65 K N 0.578 120.993 120.400 0.024 0.000 2.032 65 K HA -0.131 4.189 4.320 -0.001 0.000 0.209 65 K C 1.955 178.561 176.600 0.010 0.000 1.048 65 K CA 1.654 57.951 56.287 0.017 0.000 0.927 65 K CB -0.052 32.457 32.500 0.015 0.000 0.712 65 K HN 0.036 nan 8.250 nan 0.000 0.441 66 V N 1.510 121.431 119.914 0.011 0.000 2.295 66 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 66 V C 2.644 178.731 176.094 -0.011 0.000 1.049 66 V CA 2.021 64.323 62.300 0.002 0.000 1.024 66 V CB -0.660 31.168 31.823 0.008 0.000 0.648 66 V HN 0.423 nan 8.190 nan 0.000 0.447 67 R N 0.120 120.620 120.500 0.001 0.000 2.096 67 R HA -0.245 4.095 4.340 -0.001 0.000 0.240 67 R C 2.314 178.594 176.300 -0.034 0.000 1.139 67 R CA 2.349 58.440 56.100 -0.015 0.000 0.952 67 R CB -0.252 30.065 30.300 0.028 0.000 0.854 67 R HN 0.641 nan 8.270 nan 0.000 0.436 68 E N -0.529 119.667 120.200 -0.007 0.000 2.072 68 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 68 E C 1.972 178.560 176.600 -0.020 0.000 0.985 68 E CA 1.168 57.566 56.400 -0.004 0.000 0.801 68 E CB -0.175 29.533 29.700 0.013 0.000 0.750 68 E HN 0.368 nan 8.360 nan 0.000 0.452 69 C N 0.612 119.899 119.300 -0.022 0.000 2.491 69 C HA 0.032 4.491 4.460 -0.001 0.000 0.277 69 C C 2.067 177.026 174.990 -0.053 0.000 1.455 69 C CA 0.329 59.330 59.018 -0.028 0.000 1.758 69 C CB -0.739 26.991 27.740 -0.016 0.000 1.745 69 C HN 0.394 nan 8.230 nan 0.000 0.558 70 M N -0.665 118.888 119.600 -0.078 0.000 2.691 70 M HA 0.091 4.571 4.480 -0.001 0.000 0.261 70 M C 1.965 178.165 176.300 -0.165 0.000 1.227 70 M CA 1.072 56.297 55.300 -0.126 0.000 1.197 70 M CB -1.113 31.395 32.600 -0.154 0.000 1.294 70 M HN 0.367 nan 8.290 nan 0.000 0.508 71 E N 0.227 120.328 120.200 -0.165 0.000 2.347 71 E HA -0.190 4.159 4.350 -0.001 0.000 0.196 71 E C 1.833 178.413 176.600 -0.033 0.000 1.008 71 E CA 0.901 57.224 56.400 -0.129 0.000 0.852 71 E CB 0.169 29.834 29.700 -0.058 0.000 0.783 71 E HN 0.304 nan 8.360 nan 0.000 0.505 72 K N 0.720 121.100 120.400 -0.033 0.000 2.121 72 K HA -0.030 4.289 4.320 -0.001 0.000 0.203 72 K C 1.803 178.391 176.600 -0.019 0.000 1.041 72 K CA 0.890 57.171 56.287 -0.011 0.000 0.969 72 K CB 0.449 32.945 32.500 -0.006 0.000 0.799 72 K HN -0.142 nan 8.250 nan 0.000 0.456 73 E N -0.239 119.934 120.200 -0.045 0.000 2.307 73 E HA 0.035 4.384 4.350 -0.001 0.000 0.195 73 E C 1.812 178.356 176.600 -0.093 0.000 0.975 73 E CA 0.602 56.966 56.400 -0.061 0.000 0.878 73 E CB 0.764 30.420 29.700 -0.073 0.000 0.845 73 E HN 0.138 nan 8.360 nan 0.000 0.488 74 V N 0.982 120.836 119.914 -0.100 0.000 2.690 74 V HA 0.087 4.207 4.120 -0.001 0.000 0.240 74 V C 2.326 178.384 176.094 -0.061 0.000 1.078 74 V CA 1.125 63.356 62.300 -0.116 0.000 1.102 74 V CB -0.342 31.400 31.823 -0.135 0.000 0.800 74 V HN 0.144 nan 8.190 nan 0.000 0.479 75 A N 1.228 124.015 122.820 -0.055 0.000 1.927 75 A HA -0.186 4.134 4.320 -0.001 0.000 0.220 75 A C 0.413 178.030 177.584 0.055 0.000 1.185 75 A CA 2.604 54.649 52.037 0.014 0.000 0.639 75 A CB -1.934 17.088 19.000 0.036 0.000 0.820 75 A HN 0.556 nan 8.150 nan 0.000 0.451 76 P HA -0.090 nan 4.420 nan 0.000 0.215 76 P C 1.372 178.712 177.300 0.066 0.000 1.157 76 P CA 1.341 64.471 63.100 0.049 0.000 0.859 76 P CB -0.236 31.492 31.700 0.045 0.000 0.786 77 I N -3.263 117.355 120.570 0.081 0.000 3.059 77 I HA -0.031 4.139 4.170 -0.001 0.000 0.270 77 I C 2.230 178.473 176.117 0.211 0.000 1.238 77 I CA 0.885 62.285 61.300 0.168 0.000 1.478 77 I CB -1.587 36.541 38.000 0.214 0.000 1.097 77 I HN -0.161 nan 8.210 nan 0.000 0.455 78 M N 0.246 119.912 119.600 0.111 0.000 2.149 78 M HA -0.118 4.361 4.480 -0.001 0.000 0.261 78 M C 2.006 178.412 176.300 0.178 0.000 1.064 78 M CA 2.300 57.673 55.300 0.121 0.000 1.102 78 M CB -1.855 30.776 32.600 0.052 0.000 1.369 78 M HN 0.184 nan 8.290 nan 0.000 0.408 79 T N 0.607 115.231 114.554 0.117 0.000 2.684 79 T HA -0.194 4.156 4.350 -0.001 0.000 0.267 79 T C 1.752 176.544 174.700 0.153 0.000 1.036 79 T CA 2.040 64.201 62.100 0.101 0.000 1.148 79 T CB -0.366 68.519 68.868 0.030 0.000 0.863 79 T HN 0.609 nan 8.240 nan 0.000 0.436 80 E N -0.134 120.136 120.200 0.116 0.000 2.028 80 E HA -0.134 4.216 4.350 -0.001 0.000 0.191 80 E C 1.848 178.455 176.600 0.013 0.000 0.988 80 E CA 1.060 57.476 56.400 0.027 0.000 0.799 80 E CB -0.179 29.481 29.700 -0.066 0.000 0.755 80 E HN 0.624 nan 8.360 nan 0.000 0.447 81 Y N -1.372 118.982 120.300 0.090 0.000 2.439 81 Y HA -0.138 4.411 4.550 -0.001 0.000 0.292 81 Y C 1.843 177.809 175.900 0.111 0.000 1.130 81 Y CA 0.928 59.068 58.100 0.067 0.000 1.254 81 Y CB -0.170 38.290 38.460 -0.000 0.000 1.000 81 Y HN 0.294 nan 8.280 nan 0.000 0.554 82 W N 1.208 122.581 121.300 0.122 0.000 2.409 82 W HA -0.136 4.524 4.660 -0.001 0.000 0.299 82 W C 2.448 179.007 176.519 0.067 0.000 1.203 82 W CA 1.967 59.365 57.345 0.089 0.000 1.298 82 W CB -0.147 29.360 29.460 0.078 0.000 1.127 82 W HN 0.084 nan 8.180 nan 0.000 0.528 83 E N 0.748 121.118 120.200 0.282 0.000 2.077 83 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 83 E C 1.884 178.477 176.600 -0.011 0.000 0.989 83 E CA 1.783 58.261 56.400 0.131 0.000 0.800 83 E CB -0.334 29.454 29.700 0.147 0.000 0.746 83 E HN -0.045 nan 8.360 nan 0.000 0.452 84 K N -0.204 120.190 120.400 -0.010 0.000 2.432 84 K HA 0.121 4.441 4.320 -0.001 0.000 0.196 84 K C 0.788 177.370 176.600 -0.030 0.000 1.038 84 K CA 0.717 56.984 56.287 -0.033 0.000 0.986 84 K CB 0.003 32.466 32.500 -0.062 0.000 0.782 84 K HN 0.277 nan 8.250 nan 0.000 0.485 85 A N 1.660 124.440 122.820 -0.068 0.000 2.826 85 A HA -0.240 4.080 4.320 -0.001 0.000 0.274 85 A C -0.214 177.392 177.584 0.036 0.000 1.443 85 A CA 1.209 53.194 52.037 -0.087 0.000 0.833 85 A CB -1.952 16.975 19.000 -0.122 0.000 1.023 85 A HN 0.482 nan 8.150 nan 0.000 0.600 86 E N -1.430 118.840 120.200 0.116 0.000 2.214 86 E HA 0.592 4.942 4.350 -0.001 0.000 0.274 86 E C -0.366 176.374 176.600 0.234 0.000 0.977 86 E CA -0.877 55.653 56.400 0.217 0.000 0.827 86 E CB 0.988 30.846 29.700 0.263 0.000 1.130 86 E HN 0.445 nan 8.360 nan 0.000 0.394 87 F N 4.400 124.312 119.950 -0.064 0.000 2.427 87 F HA 0.228 4.754 4.527 -0.000 0.000 0.352 87 F C -1.883 173.566 175.800 -0.585 0.000 1.100 87 F CA -2.352 55.370 58.000 -0.464 0.000 1.191 87 F CB 0.906 39.332 39.000 -0.957 0.000 1.128 87 F HN 0.205 nan 8.300 nan 0.000 0.533 88 P HA 0.100 nan 4.420 nan 0.000 0.247 88 P C 0.233 176.945 177.300 -0.979 0.000 1.756 88 P CA 0.178 62.516 63.100 -1.271 0.000 1.117 88 P CB -0.338 30.495 31.700 -1.446 0.000 1.869 89 F N 1.398 121.161 119.950 -0.312 0.000 2.216 89 F HA -0.191 4.336 4.527 -0.001 0.000 0.300 89 F C 2.594 178.336 175.800 -0.097 0.000 1.085 89 F CA 1.343 59.286 58.000 -0.094 0.000 1.326 89 F CB -0.805 38.192 39.000 -0.006 0.000 1.027 89 F HN 0.440 nan 8.300 nan 0.000 0.497 90 H N -1.178 117.875 119.070 -0.028 0.000 2.563 90 H HA 0.027 4.583 4.556 -0.001 0.000 0.272 90 H C 1.635 176.906 175.328 -0.095 0.000 1.005 90 H CA 0.825 56.852 56.048 -0.035 0.000 1.171 90 H CB -0.554 29.196 29.762 -0.020 0.000 1.351 90 H HN 0.296 nan 8.280 nan 0.000 0.602 91 I N 1.175 121.431 120.570 -0.524 0.000 3.462 91 I HA -0.085 4.084 4.170 -0.001 0.000 0.290 91 I C 2.089 178.074 176.117 -0.219 0.000 1.236 91 I CA 0.452 61.486 61.300 -0.444 0.000 1.418 91 I CB -0.020 37.615 38.000 -0.608 0.000 1.102 91 I HN 0.107 nan 8.210 nan 0.000 0.441 92 T N 2.438 116.903 114.554 -0.147 0.000 2.592 92 T HA -0.163 4.187 4.350 -0.001 0.000 0.267 92 T C -0.411 174.323 174.700 0.056 0.000 1.060 92 T CA 2.166 64.281 62.100 0.025 0.000 1.167 92 T CB -1.585 67.368 68.868 0.142 0.000 0.863 92 T HN 0.268 nan 8.240 nan 0.000 0.431 93 P HA -0.063 nan 4.420 nan 0.000 0.220 93 P C 1.185 178.501 177.300 0.026 0.000 1.148 93 P CA 1.169 64.298 63.100 0.048 0.000 0.803 93 P CB -0.051 31.677 31.700 0.048 0.000 0.782 94 K N -0.148 120.249 120.400 -0.005 0.000 2.148 94 K HA 0.015 4.334 4.320 -0.001 0.000 0.204 94 K C 2.304 178.901 176.600 -0.004 0.000 1.050 94 K CA 0.834 57.112 56.287 -0.016 0.000 0.942 94 K CB -0.775 31.693 32.500 -0.053 0.000 0.724 94 K HN 0.300 nan 8.250 nan 0.000 0.446 95 L N 0.152 121.380 121.223 0.009 0.000 2.109 95 L HA -0.021 4.319 4.340 -0.001 0.000 0.207 95 L C 2.437 179.338 176.870 0.052 0.000 1.086 95 L CA 1.223 56.087 54.840 0.040 0.000 0.760 95 L CB -0.726 41.391 42.059 0.098 0.000 0.910 95 L HN 0.223 nan 8.230 nan 0.000 0.437 96 G N -0.628 108.207 108.800 0.059 0.000 2.598 96 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.215 96 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.215 96 G C 1.600 176.527 174.900 0.044 0.000 1.131 96 G CA 0.675 45.809 45.100 0.055 0.000 0.785 96 G HN 0.433 nan 8.290 nan 0.000 0.539 97 A N 0.378 123.218 122.820 0.034 0.000 2.072 97 A HA 0.297 4.617 4.320 -0.001 0.000 0.216 97 A C 2.287 179.884 177.584 0.022 0.000 1.156 97 A CA 0.641 52.694 52.037 0.027 0.000 0.701 97 A CB -0.186 18.827 19.000 0.021 0.000 0.816 97 A HN 0.366 nan 8.150 nan 0.000 0.458 98 M N -0.995 118.618 119.600 0.021 0.000 2.319 98 M HA 0.079 4.559 4.480 -0.001 0.000 0.265 98 M C 1.318 177.630 176.300 0.019 0.000 1.068 98 M CA 1.065 56.376 55.300 0.017 0.000 1.118 98 M CB -0.249 32.360 32.600 0.015 0.000 1.395 98 M HN 0.618 nan 8.290 nan 0.000 0.435 99 G N 0.810 109.626 108.800 0.026 0.000 2.401 99 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.283 99 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.283 99 G C 0.179 175.091 174.900 0.021 0.000 1.117 99 G CA 0.068 45.184 45.100 0.026 0.000 1.051 99 G HN 0.310 nan 8.290 nan 0.000 0.510 100 V N -0.544 119.385 119.914 0.025 0.000 3.371 100 V HA 0.532 4.652 4.120 -0.001 0.000 0.246 100 V C 1.924 178.033 176.094 0.025 0.000 1.303 100 V CA 1.107 63.417 62.300 0.016 0.000 1.156 100 V CB 0.023 31.854 31.823 0.014 0.000 0.929 100 V HN 1.444 nan 8.190 nan 0.000 0.459 101 A N 0.754 123.602 122.820 0.046 0.000 2.524 101 A HA 0.480 4.800 4.320 -0.001 0.000 0.250 101 A C 1.526 179.156 177.584 0.077 0.000 1.078 101 A CA 1.120 53.207 52.037 0.083 0.000 0.761 101 A CB -0.551 18.516 19.000 0.111 0.000 1.012 101 A HN 1.283 nan 8.150 nan 0.000 0.500 102 G N 1.824 110.658 108.800 0.057 0.000 2.956 102 G HA2 0.057 4.017 3.960 -0.001 0.000 0.210 102 G HA3 0.057 4.017 3.960 -0.001 0.000 0.210 102 G C 1.861 176.765 174.900 0.006 0.000 1.316 102 G CA 1.059 46.177 45.100 0.030 0.000 0.819 102 G HN 2.683 nan 8.290 nan 0.000 0.544 103 G N 0.206 109.010 108.800 0.005 0.000 3.284 103 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.351 103 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.351 103 G C 1.689 176.578 174.900 -0.017 0.000 1.232 103 G CA 2.640 47.730 45.100 -0.018 0.000 1.001 103 G HN 1.819 nan 8.290 nan 0.000 0.639 104 S N 0.919 116.602 115.700 -0.029 0.000 2.428 104 S HA 0.188 4.658 4.470 -0.001 0.000 0.230 104 S C 1.350 175.959 174.600 0.017 0.000 1.014 104 S CA 0.781 58.973 58.200 -0.013 0.000 0.957 104 S CB -0.139 63.043 63.200 -0.030 0.000 0.784 104 S HN 0.503 nan 8.310 nan 0.000 0.499 105 I N 2.708 123.292 120.570 0.023 0.000 2.668 105 I HA 0.008 4.178 4.170 -0.001 0.000 0.285 105 I C 0.389 176.556 176.117 0.082 0.000 1.168 105 I CA 0.196 61.534 61.300 0.064 0.000 1.424 105 I CB 0.315 38.358 38.000 0.072 0.000 1.377 105 I HN -0.106 nan 8.210 nan 0.000 0.560 106 K N 5.479 125.936 120.400 0.095 0.000 2.183 106 K HA 0.534 4.854 4.320 -0.001 0.000 0.274 106 K C 0.457 177.076 176.600 0.032 0.000 1.009 106 K CA 0.069 56.387 56.287 0.052 0.000 0.888 106 K CB 1.513 34.027 32.500 0.023 0.000 1.078 106 K HN 0.920 nan 8.250 nan 0.000 0.459 107 G N 1.941 110.712 108.800 -0.047 0.000 2.642 107 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.231 107 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.231 107 G C -0.503 174.357 174.900 -0.066 0.000 1.338 107 G CA 0.001 44.981 45.100 -0.199 0.000 0.883 107 G HN 0.689 nan 8.290 nan 0.000 0.570 108 Y N -1.329 118.975 120.300 0.007 0.000 3.491 108 Y HA -0.074 4.476 4.550 -0.001 0.000 0.215 108 Y C 2.245 178.156 175.900 0.017 0.000 1.219 108 Y CA 1.979 60.086 58.100 0.011 0.000 1.485 108 Y CB -1.734 36.734 38.460 0.013 0.000 1.450 108 Y HN 2.691 nan 8.280 nan 0.000 0.603 109 G N -2.039 106.815 108.800 0.090 0.000 2.168 109 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.257 109 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.257 109 G C 0.128 175.075 174.900 0.077 0.000 0.997 109 G CA -0.035 45.109 45.100 0.073 0.000 0.708 109 G HN 0.679 nan 8.290 nan 0.000 0.520 110 C N 0.490 119.840 119.300 0.084 0.000 2.365 110 C HA 0.595 5.055 4.460 -0.001 0.000 0.349 110 C C 0.370 175.386 174.990 0.044 0.000 1.191 110 C CA -0.678 58.384 59.018 0.073 0.000 2.114 110 C CB 1.486 29.281 27.740 0.092 0.000 2.367 110 C HN 0.356 nan 8.230 nan 0.000 0.530 111 P HA -0.003 nan 4.420 nan 0.000 0.218 111 P C 0.770 178.077 177.300 0.013 0.000 1.148 111 P CA 1.978 65.090 63.100 0.021 0.000 0.822 111 P CB -0.006 31.704 31.700 0.017 0.000 0.784 112 G N 0.234 109.044 108.800 0.016 0.000 2.368 112 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.290 112 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.290 112 G C -0.198 174.702 174.900 0.001 0.000 1.098 112 G CA -0.189 44.917 45.100 0.011 0.000 1.073 112 G HN 0.283 nan 8.290 nan 0.000 0.511 113 L N 0.357 121.577 121.223 -0.005 0.000 2.416 113 L HA 0.650 4.989 4.340 -0.001 0.000 0.262 113 L C 1.461 178.320 176.870 -0.019 0.000 1.093 113 L CA -0.443 54.387 54.840 -0.016 0.000 0.801 113 L CB 1.243 43.284 42.059 -0.030 0.000 1.191 113 L HN 0.510 nan 8.230 nan 0.000 0.459 114 S N 0.145 115.830 115.700 -0.025 0.000 2.593 114 S HA 0.105 4.574 4.470 -0.001 0.000 0.269 114 S C 0.888 175.456 174.600 -0.054 0.000 1.334 114 S CA -0.613 57.573 58.200 -0.024 0.000 1.015 114 S CB 1.108 64.296 63.200 -0.020 0.000 0.912 114 S HN 0.576 nan 8.310 nan 0.000 0.541 115 I N 1.890 122.442 120.570 -0.031 0.000 2.264 115 I HA -0.155 4.015 4.170 -0.001 0.000 0.248 115 I C 2.181 178.179 176.117 -0.198 0.000 1.111 115 I CA 1.957 63.205 61.300 -0.086 0.000 1.382 115 I CB -0.912 37.107 38.000 0.033 0.000 1.060 115 I HN 0.893 nan 8.210 nan 0.000 0.418 116 T N 0.724 115.182 114.554 -0.161 0.000 2.777 116 T HA -0.071 4.278 4.350 -0.001 0.000 0.266 116 T C 1.974 176.508 174.700 -0.276 0.000 1.040 116 T CA 1.326 63.292 62.100 -0.223 0.000 1.141 116 T CB -0.615 68.208 68.868 -0.075 0.000 0.868 116 T HN 0.506 nan 8.240 nan 0.000 0.444 117 A N 1.811 124.533 122.820 -0.164 0.000 1.898 117 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 117 A C 2.172 179.646 177.584 -0.184 0.000 1.181 117 A CA 1.591 53.547 52.037 -0.136 0.000 0.620 117 A CB -0.881 18.079 19.000 -0.067 0.000 0.819 117 A HN 0.591 nan 8.150 nan 0.000 0.442 118 N N -0.443 118.143 118.700 -0.190 0.000 2.309 118 N HA -0.059 4.680 4.740 -0.001 0.000 0.182 118 N C 1.782 177.120 175.510 -0.288 0.000 1.018 118 N CA 0.786 53.724 53.050 -0.187 0.000 0.876 118 N CB -0.122 38.275 38.487 -0.149 0.000 0.972 118 N HN 0.451 nan 8.380 nan 0.000 0.434 119 A N 0.822 123.342 122.820 -0.500 0.000 1.874 119 A HA -0.038 4.282 4.320 -0.001 0.000 0.214 119 A C 1.994 179.039 177.584 -0.899 0.000 1.189 119 A CA 0.526 52.029 52.037 -0.889 0.000 0.615 119 A CB -0.426 17.606 19.000 -1.615 0.000 0.830 119 A HN 0.319 nan 8.150 nan 0.000 0.443 120 I N -0.126 119.962 120.570 -0.803 0.000 2.614 120 I HA -0.124 4.046 4.170 -0.001 0.000 0.258 120 I C 2.449 178.502 176.117 -0.107 0.000 1.189 120 I CA 1.076 62.148 61.300 -0.381 0.000 1.462 120 I CB -0.156 37.740 38.000 -0.173 0.000 1.092 120 I HN 0.292 nan 8.210 nan 0.000 0.442 121 A N -0.688 122.051 122.820 -0.135 0.000 1.873 121 A HA -0.178 4.142 4.320 -0.001 0.000 0.215 121 A C 2.330 179.907 177.584 -0.010 0.000 1.186 121 A CA 2.286 54.292 52.037 -0.051 0.000 0.616 121 A CB -1.328 17.636 19.000 -0.060 0.000 0.823 121 A HN 0.422 nan 8.150 nan 0.000 0.442 122 T N 0.675 115.211 114.554 -0.031 0.000 2.720 122 T HA -0.098 4.251 4.350 -0.001 0.000 0.268 122 T C 2.199 176.968 174.700 0.115 0.000 1.037 122 T CA 1.760 63.884 62.100 0.039 0.000 1.144 122 T CB -0.570 68.319 68.868 0.034 0.000 0.864 122 T HN 0.610 nan 8.240 nan 0.000 0.444 123 A N 2.029 124.955 122.820 0.176 0.000 1.865 123 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 123 A C 2.233 179.932 177.584 0.192 0.000 1.191 123 A CA 1.410 53.614 52.037 0.278 0.000 0.623 123 A CB -0.471 18.820 19.000 0.484 0.000 0.826 123 A HN 0.371 nan 8.150 nan 0.000 0.444 124 E N -0.411 119.877 120.200 0.146 0.000 2.472 124 E HA -0.041 4.309 4.350 -0.001 0.000 0.200 124 E C 1.739 178.363 176.600 0.041 0.000 1.046 124 E CA 0.543 57.002 56.400 0.099 0.000 0.871 124 E CB -0.214 29.535 29.700 0.082 0.000 0.806 124 E HN 0.777 nan 8.360 nan 0.000 0.533 125 I N 0.410 121.011 120.570 0.053 0.000 2.364 125 I HA -0.083 4.087 4.170 -0.001 0.000 0.241 125 I C 2.391 178.538 176.117 0.050 0.000 1.082 125 I CA 0.722 62.042 61.300 0.033 0.000 1.401 125 I CB -0.334 37.699 38.000 0.054 0.000 1.126 125 I HN -0.055 nan 8.210 nan 0.000 0.429 126 A N 1.124 124.002 122.820 0.098 0.000 2.076 126 A HA -0.241 4.079 4.320 -0.001 0.000 0.220 126 A C 2.419 180.076 177.584 0.121 0.000 1.160 126 A CA 1.589 53.697 52.037 0.120 0.000 0.653 126 A CB -0.768 18.320 19.000 0.146 0.000 0.801 126 A HN 0.387 nan 8.150 nan 0.000 0.455 127 R N -0.220 120.353 120.500 0.121 0.000 2.083 127 R HA -0.121 4.219 4.340 -0.001 0.000 0.237 127 R C 1.743 178.133 176.300 0.149 0.000 1.137 127 R CA 2.249 58.445 56.100 0.159 0.000 0.951 127 R CB -0.428 29.967 30.300 0.158 0.000 0.851 127 R HN 0.319 nan 8.270 nan 0.000 0.434 128 V N 0.001 119.871 119.914 -0.073 0.000 2.379 128 V HA -0.036 4.084 4.120 -0.001 0.000 0.243 128 V C 0.371 176.454 176.094 -0.019 0.000 1.035 128 V CA 1.446 63.580 62.300 -0.276 0.000 1.035 128 V CB -0.241 31.255 31.823 -0.545 0.000 0.673 128 V HN 0.395 nan 8.190 nan 0.000 0.457 129 D N -1.972 118.428 120.400 0.001 0.000 2.890 129 D HA 0.540 5.180 4.640 -0.001 0.000 0.233 129 D C 0.402 176.758 176.300 0.093 0.000 1.306 129 D CA 0.222 54.251 54.000 0.048 0.000 0.929 129 D CB 1.926 42.742 40.800 0.026 0.000 1.512 129 D HN 0.052 nan 8.370 nan 0.000 0.568 130 A N 2.367 125.262 122.820 0.126 0.000 1.968 130 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 130 A C 1.969 179.675 177.584 0.203 0.000 1.169 130 A CA 1.457 53.593 52.037 0.166 0.000 0.638 130 A CB -0.252 18.853 19.000 0.175 0.000 0.812 130 A HN 0.513 nan 8.150 nan 0.000 0.446 131 S N -0.714 115.121 115.700 0.225 0.000 2.351 131 S HA -0.224 4.246 4.470 -0.001 0.000 0.220 131 S C 1.884 176.631 174.600 0.245 0.000 1.035 131 S CA 1.581 59.933 58.200 0.253 0.000 1.031 131 S CB -0.764 62.611 63.200 0.290 0.000 0.928 131 S HN 0.694 nan 8.310 nan 0.000 0.433 132 C N 1.158 120.562 119.300 0.174 0.000 2.419 132 C HA 0.037 4.497 4.460 -0.001 0.000 0.283 132 C C 3.146 178.296 174.990 0.267 0.000 1.373 132 C CA 0.856 59.990 59.018 0.193 0.000 1.781 132 C CB -1.372 26.389 27.740 0.034 0.000 1.886 132 C HN 0.678 nan 8.230 nan 0.000 0.520 133 S N 0.001 115.823 115.700 0.204 0.000 2.371 133 S HA -0.134 4.335 4.470 -0.001 0.000 0.224 133 S C 1.903 176.622 174.600 0.198 0.000 1.029 133 S CA 2.197 60.505 58.200 0.180 0.000 0.978 133 S CB -0.302 62.992 63.200 0.156 0.000 0.833 133 S HN 0.665 nan 8.310 nan 0.000 0.466 134 T N 1.843 116.536 114.554 0.232 0.000 2.777 134 T HA -0.029 4.321 4.350 -0.001 0.000 0.266 134 T C 1.342 176.168 174.700 0.209 0.000 1.040 134 T CA 1.360 63.591 62.100 0.217 0.000 1.141 134 T CB -0.575 68.403 68.868 0.183 0.000 0.868 134 T HN 0.541 nan 8.240 nan 0.000 0.444 135 F N 1.953 121.995 119.950 0.153 0.000 2.063 135 F HA -0.158 4.368 4.527 -0.000 0.000 0.298 135 F C 1.924 177.811 175.800 0.146 0.000 1.109 135 F CA 1.233 59.334 58.000 0.168 0.000 1.212 135 F CB -0.613 38.568 39.000 0.303 0.000 0.973 135 F HN 0.098 nan 8.300 nan 0.000 0.480 136 I N -0.163 120.330 120.570 -0.129 0.000 2.202 136 I HA -0.256 3.914 4.170 -0.001 0.000 0.242 136 I C 2.533 178.597 176.117 -0.088 0.000 1.091 136 I CA 1.316 62.477 61.300 -0.231 0.000 1.368 136 I CB -0.519 37.477 38.000 -0.007 0.000 1.058 136 I HN 0.304 nan 8.210 nan 0.000 0.410 137 L N 0.332 121.551 121.223 -0.006 0.000 2.012 137 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 137 L C 2.502 179.348 176.870 -0.040 0.000 1.073 137 L CA 1.517 56.354 54.840 -0.005 0.000 0.748 137 L CB -0.151 41.940 42.059 0.053 0.000 0.891 137 L HN -0.020 nan 8.230 nan 0.000 0.431 138 V N -0.629 119.276 119.914 -0.014 0.000 2.407 138 V HA -0.335 3.785 4.120 -0.001 0.000 0.248 138 V C 2.387 178.450 176.094 -0.052 0.000 1.055 138 V CA 2.166 64.455 62.300 -0.019 0.000 1.049 138 V CB -0.874 30.971 31.823 0.037 0.000 0.662 138 V HN 0.680 nan 8.190 nan 0.000 0.455 139 H N -0.536 118.411 119.070 -0.204 0.000 2.326 139 H HA -0.116 4.440 4.556 -0.000 0.000 0.301 139 H C 2.537 177.774 175.328 -0.153 0.000 1.081 139 H CA 2.105 58.021 56.048 -0.220 0.000 1.334 139 H CB 0.059 29.573 29.762 -0.414 0.000 1.385 139 H HN 0.363 nan 8.280 nan 0.000 0.504 140 S N -1.373 114.277 115.700 -0.083 0.000 2.384 140 S HA 0.003 4.473 4.470 -0.001 0.000 0.217 140 S C 2.177 176.692 174.600 -0.141 0.000 1.041 140 S CA 0.813 58.958 58.200 -0.092 0.000 0.948 140 S CB -0.294 62.917 63.200 0.019 0.000 0.872 140 S HN 0.463 nan 8.310 nan 0.000 0.512 141 S N 0.868 116.483 115.700 -0.142 0.000 2.461 141 S HA 0.296 4.765 4.470 -0.001 0.000 0.228 141 S C 1.554 175.985 174.600 -0.281 0.000 1.005 141 S CA 0.472 58.562 58.200 -0.183 0.000 0.942 141 S CB -0.069 63.030 63.200 -0.167 0.000 0.776 141 S HN 0.383 nan 8.310 nan 0.000 0.514 142 L N -0.191 120.832 121.223 -0.334 0.000 2.435 142 L HA 0.276 4.615 4.340 -0.001 0.000 0.195 142 L C 2.517 179.165 176.870 -0.371 0.000 1.072 142 L CA 0.661 55.130 54.840 -0.618 0.000 0.833 142 L CB -0.823 40.759 42.059 -0.794 0.000 1.081 142 L HN 0.356 nan 8.230 nan 0.000 0.485 143 G N 0.076 108.782 108.800 -0.157 0.000 2.616 143 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.215 143 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.215 143 G C 1.501 176.332 174.900 -0.115 0.000 1.284 143 G CA 0.550 45.625 45.100 -0.043 0.000 0.823 143 G HN 0.060 nan 8.290 nan 0.000 0.569 144 M N -0.228 119.230 119.600 -0.237 0.000 2.106 144 M HA -0.091 4.389 4.480 -0.001 0.000 0.259 144 M C 2.566 178.797 176.300 -0.116 0.000 1.068 144 M CA 1.214 56.400 55.300 -0.190 0.000 1.100 144 M CB -0.463 32.013 32.600 -0.208 0.000 1.351 144 M HN 0.250 nan 8.290 nan 0.000 0.404 145 L N 0.078 121.232 121.223 -0.115 0.000 2.083 145 L HA -0.133 4.207 4.340 -0.001 0.000 0.209 145 L C 2.322 179.161 176.870 -0.053 0.000 1.083 145 L CA 1.842 56.630 54.840 -0.088 0.000 0.752 145 L CB -0.728 41.261 42.059 -0.117 0.000 0.899 145 L HN 0.211 nan 8.230 nan 0.000 0.433 146 T N -0.139 114.406 114.554 -0.015 0.000 2.720 146 T HA -0.186 4.163 4.350 -0.001 0.000 0.268 146 T C 1.931 176.632 174.700 0.002 0.000 1.037 146 T CA 2.083 64.230 62.100 0.077 0.000 1.144 146 T CB -0.331 68.718 68.868 0.301 0.000 0.864 146 T HN 0.319 nan 8.240 nan 0.000 0.444 147 I N 1.136 121.681 120.570 -0.042 0.000 2.252 147 I HA -0.145 4.025 4.170 -0.001 0.000 0.245 147 I C 2.829 178.882 176.117 -0.106 0.000 1.102 147 I CA 1.023 62.275 61.300 -0.081 0.000 1.385 147 I CB -0.379 37.569 38.000 -0.087 0.000 1.064 147 I HN 0.185 nan 8.210 nan 0.000 0.414 148 A N 0.296 123.052 122.820 -0.106 0.000 2.015 148 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 148 A C 2.199 179.739 177.584 -0.072 0.000 1.163 148 A CA 1.357 53.318 52.037 -0.125 0.000 0.646 148 A CB -0.386 18.570 19.000 -0.074 0.000 0.806 148 A HN 0.421 nan 8.150 nan 0.000 0.448 149 L N -2.439 118.758 121.223 -0.044 0.000 2.467 149 L HA 0.037 4.376 4.340 -0.001 0.000 0.213 149 L C 1.817 178.670 176.870 -0.027 0.000 1.053 149 L CA 0.369 55.196 54.840 -0.022 0.000 0.847 149 L CB 0.188 42.243 42.059 -0.008 0.000 1.075 149 L HN 0.381 nan 8.230 nan 0.000 0.479 150 C N -0.376 118.904 119.300 -0.034 0.000 3.065 150 C HA 0.351 4.810 4.460 -0.001 0.000 0.285 150 C C 1.539 176.485 174.990 -0.074 0.000 1.257 150 C CA -0.630 58.361 59.018 -0.046 0.000 1.691 150 C CB -0.539 27.181 27.740 -0.033 0.000 2.089 150 C HN 0.421 nan 8.230 nan 0.000 0.630 151 G N 1.347 110.099 108.800 -0.079 0.000 2.599 151 G HA2 0.427 4.387 3.960 -0.001 0.000 0.264 151 G HA3 0.427 4.387 3.960 -0.001 0.000 0.264 151 G C 0.143 175.003 174.900 -0.067 0.000 1.200 151 G CA 0.222 45.273 45.100 -0.082 0.000 0.896 151 G HN 0.517 nan 8.290 nan 0.000 0.536 152 S N -0.626 115.045 115.700 -0.049 0.000 2.652 152 S HA 0.269 4.739 4.470 -0.001 0.000 0.270 152 S C 0.958 175.536 174.600 -0.037 0.000 1.243 152 S CA -0.474 57.707 58.200 -0.031 0.000 0.999 152 S CB 1.729 64.921 63.200 -0.013 0.000 0.973 152 S HN 0.565 nan 8.310 nan 0.000 0.544 153 E N 1.080 121.274 120.200 -0.009 0.000 2.160 153 E HA -0.148 4.202 4.350 -0.001 0.000 0.195 153 E C 2.187 178.794 176.600 0.012 0.000 0.991 153 E CA 1.494 57.906 56.400 0.020 0.000 0.810 153 E CB -0.814 28.922 29.700 0.061 0.000 0.742 153 E HN 0.810 nan 8.360 nan 0.000 0.466 154 A N 0.875 123.695 122.820 -0.000 0.000 1.969 154 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 154 A C 2.103 179.660 177.584 -0.046 0.000 1.169 154 A CA 1.221 53.250 52.037 -0.013 0.000 0.635 154 A CB -0.291 18.706 19.000 -0.006 0.000 0.810 154 A HN 0.197 nan 8.150 nan 0.000 0.445 155 Q N -0.353 119.435 119.800 -0.019 0.000 2.096 155 Q HA -0.080 4.260 4.340 -0.001 0.000 0.197 155 Q C 1.998 177.999 176.000 0.001 0.000 0.964 155 Q CA 1.359 57.189 55.803 0.044 0.000 0.838 155 Q CB -0.123 28.693 28.738 0.131 0.000 0.906 155 Q HN 0.624 nan 8.270 nan 0.000 0.444 156 K N 0.725 121.047 120.400 -0.130 0.000 2.032 156 K HA -0.152 4.168 4.320 -0.001 0.000 0.209 156 K C 1.871 178.339 176.600 -0.221 0.000 1.048 156 K CA 1.085 57.157 56.287 -0.360 0.000 0.927 156 K CB 0.013 31.990 32.500 -0.872 0.000 0.712 156 K HN 0.150 nan 8.250 nan 0.000 0.441 157 E N 0.696 120.869 120.200 -0.045 0.000 2.347 157 E HA -0.138 4.212 4.350 -0.001 0.000 0.196 157 E C 1.774 178.363 176.600 -0.019 0.000 1.008 157 E CA 0.775 57.235 56.400 0.100 0.000 0.852 157 E CB 0.214 29.985 29.700 0.117 0.000 0.783 157 E HN 0.276 nan 8.360 nan 0.000 0.505 158 K N -0.373 119.936 120.400 -0.151 0.000 2.141 158 K HA -0.033 4.286 4.320 -0.001 0.000 0.202 158 K C 1.575 177.968 176.600 -0.346 0.000 1.045 158 K CA 0.588 56.671 56.287 -0.340 0.000 0.971 158 K CB 0.190 32.309 32.500 -0.636 0.000 0.795 158 K HN 0.034 nan 8.250 nan 0.000 0.459 159 Y N 0.611 120.905 120.300 -0.009 0.000 2.314 159 Y HA 0.064 4.614 4.550 -0.001 0.000 0.294 159 Y C 2.086 177.988 175.900 0.004 0.000 1.139 159 Y CA 0.084 58.181 58.100 -0.005 0.000 1.162 159 Y CB -0.173 38.270 38.460 -0.028 0.000 1.121 159 Y HN -0.125 nan 8.280 nan 0.000 0.529 160 L N 0.378 121.681 121.223 0.133 0.000 2.034 160 L HA -0.240 4.100 4.340 -0.001 0.000 0.217 160 L C -0.617 176.320 176.870 0.111 0.000 1.077 160 L CA 1.727 56.617 54.840 0.084 0.000 0.769 160 L CB -1.927 40.146 42.059 0.023 0.000 0.890 160 L HN 0.196 nan 8.230 nan 0.000 0.435 161 P HA -0.203 nan 4.420 nan 0.000 0.216 161 P C 1.918 179.281 177.300 0.104 0.000 1.153 161 P CA 1.811 64.975 63.100 0.106 0.000 0.858 161 P CB 0.025 31.777 31.700 0.088 0.000 0.789 162 S N -1.818 113.948 115.700 0.111 0.000 2.414 162 S HA -0.046 4.424 4.470 -0.001 0.000 0.227 162 S C 1.683 176.376 174.600 0.155 0.000 1.022 162 S CA 0.625 58.898 58.200 0.122 0.000 0.958 162 S CB -0.808 62.466 63.200 0.123 0.000 0.797 162 S HN -0.104 nan 8.310 nan 0.000 0.493 163 L N 1.440 122.767 121.223 0.173 0.000 2.156 163 L HA 0.203 4.543 4.340 -0.001 0.000 0.208 163 L C 2.635 179.683 176.870 0.298 0.000 1.095 163 L CA 1.476 56.462 54.840 0.244 0.000 0.770 163 L CB -0.833 41.298 42.059 0.119 0.000 0.914 163 L HN 0.351 nan 8.230 nan 0.000 0.439 164 A N -1.474 121.456 122.820 0.184 0.000 2.014 164 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 164 A C 2.077 179.735 177.584 0.122 0.000 1.163 164 A CA 0.979 53.107 52.037 0.152 0.000 0.652 164 A CB -0.234 18.832 19.000 0.109 0.000 0.808 164 A HN 0.383 nan 8.150 nan 0.000 0.449 165 Q N -1.495 118.374 119.800 0.115 0.000 2.425 165 Q HA 0.185 4.524 4.340 -0.001 0.000 0.204 165 Q C -0.204 175.851 176.000 0.092 0.000 0.933 165 Q CA 0.014 55.872 55.803 0.091 0.000 0.939 165 Q CB 0.355 29.143 28.738 0.083 0.000 1.044 165 Q HN 0.422 nan 8.270 nan 0.000 0.513 166 L N 0.212 121.497 121.223 0.103 0.000 4.040 166 L HA -0.296 4.044 4.340 -0.001 0.000 0.410 166 L C 0.517 177.463 176.870 0.127 0.000 1.187 166 L CA 0.795 55.684 54.840 0.081 0.000 0.956 166 L CB -2.429 39.669 42.059 0.064 0.000 2.022 166 L HN 0.305 nan 8.230 nan 0.000 0.897 167 N N -1.509 117.270 118.700 0.131 0.000 2.354 167 N HA 0.048 4.788 4.740 -0.001 0.000 0.179 167 N C 0.503 176.107 175.510 0.156 0.000 1.021 167 N CA 1.109 54.238 53.050 0.131 0.000 0.887 167 N CB 0.233 38.786 38.487 0.110 0.000 0.974 167 N HN 0.676 nan 8.380 nan 0.000 0.437 168 T N -1.478 113.184 114.554 0.180 0.000 2.876 168 T HA 0.597 4.947 4.350 -0.001 0.000 0.289 168 T C -0.575 174.286 174.700 0.267 0.000 1.014 168 T CA -0.860 61.362 62.100 0.203 0.000 0.986 168 T CB 2.490 71.468 68.868 0.184 0.000 1.021 168 T HN -0.317 nan 8.240 nan 0.000 0.458 169 V N 1.717 121.788 119.914 0.262 0.000 2.459 169 V HA 0.810 4.930 4.120 -0.001 0.000 0.295 169 V C 0.309 176.530 176.094 0.212 0.000 1.029 169 V CA -0.833 61.652 62.300 0.309 0.000 0.874 169 V CB 1.229 33.250 31.823 0.329 0.000 0.985 169 V HN 1.314 nan 8.190 nan 0.000 0.438 170 A N 3.678 126.650 122.820 0.254 0.000 2.330 170 A HA 0.919 5.239 4.320 -0.001 0.000 0.329 170 A C -0.206 177.371 177.584 -0.013 0.000 1.135 170 A CA -0.426 51.612 52.037 0.001 0.000 0.817 170 A CB 1.431 20.338 19.000 -0.155 0.000 1.269 170 A HN 1.362 nan 8.150 nan 0.000 0.469 171 C N -1.623 117.667 119.300 -0.016 0.000 2.994 171 C HA 0.880 5.340 4.460 -0.001 0.000 0.304 171 C C -1.234 173.849 174.990 0.155 0.000 1.273 171 C CA -0.989 58.049 59.018 0.035 0.000 1.537 171 C CB 0.448 28.166 27.740 -0.036 0.000 2.001 171 C HN 0.915 nan 8.230 nan 0.000 0.471 172 W N 2.117 123.417 121.300 -0.001 0.000 2.417 172 W HA 0.633 5.292 4.660 -0.001 0.000 0.315 172 W C -0.221 176.363 176.519 0.108 0.000 1.045 172 W CA -0.433 56.959 57.345 0.077 0.000 1.221 172 W CB 1.796 31.303 29.460 0.079 0.000 1.309 172 W HN 1.112 nan 8.180 nan 0.000 0.453 173 A N 6.771 129.529 122.820 -0.104 0.000 2.802 173 A HA 0.402 4.722 4.320 -0.001 0.000 0.344 173 A C -0.340 177.148 177.584 -0.160 0.000 1.215 173 A CA -0.349 51.643 52.037 -0.076 0.000 0.821 173 A CB 0.346 19.323 19.000 -0.039 0.000 1.099 173 A HN 0.751 nan 8.150 nan 0.000 0.479 174 L N 1.686 122.721 121.223 -0.313 0.000 2.445 174 L HA 0.278 4.617 4.340 -0.001 0.000 0.207 174 L C 1.003 177.781 176.870 -0.152 0.000 1.053 174 L CA 1.505 56.106 54.840 -0.399 0.000 0.841 174 L CB 0.091 41.685 42.059 -0.775 0.000 1.074 174 L HN 0.409 nan 8.230 nan 0.000 0.479 175 T N 1.468 116.000 114.554 -0.036 0.000 2.918 175 T HA 0.276 4.626 4.350 -0.001 0.000 0.302 175 T C -0.238 174.488 174.700 0.045 0.000 1.045 175 T CA -0.141 61.979 62.100 0.035 0.000 1.114 175 T CB 0.692 69.637 68.868 0.129 0.000 0.965 175 T HN 0.245 nan 8.240 nan 0.000 0.540 176 E N 2.083 122.309 120.200 0.044 0.000 2.392 176 E HA 0.262 4.612 4.350 -0.001 0.000 0.269 176 E C -1.888 174.755 176.600 0.071 0.000 0.924 176 E CA -2.329 54.093 56.400 0.038 0.000 0.784 176 E CB 1.750 31.449 29.700 -0.001 0.000 1.292 176 E HN 0.226 nan 8.360 nan 0.000 0.447 177 P HA -0.135 nan 4.420 nan 0.000 0.216 177 P C 0.287 177.618 177.300 0.053 0.000 1.153 177 P CA 1.260 64.398 63.100 0.063 0.000 0.848 177 P CB 0.269 31.983 31.700 0.024 0.000 0.787 178 D N -1.637 118.779 120.400 0.027 0.000 2.149 178 D HA -0.026 4.614 4.640 -0.001 0.000 0.201 178 D C 0.389 176.697 176.300 0.014 0.000 0.972 178 D CA 1.044 55.054 54.000 0.017 0.000 0.835 178 D CB -0.268 40.534 40.800 0.003 0.000 0.966 178 D HN 0.115 nan 8.370 nan 0.000 0.476 179 N N -0.312 118.392 118.700 0.007 0.000 2.483 179 N HA 0.371 5.111 4.740 -0.001 0.000 0.267 179 N C 0.279 175.791 175.510 0.002 0.000 0.998 179 N CA -0.132 52.911 53.050 -0.011 0.000 0.918 179 N CB 2.113 40.572 38.487 -0.047 0.000 1.215 179 N HN 0.096 nan 8.380 nan 0.000 0.500 180 G N 0.651 109.460 108.800 0.015 0.000 2.531 180 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.210 180 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.210 180 G C 1.054 175.963 174.900 0.015 0.000 1.547 180 G CA 0.148 45.266 45.100 0.029 0.000 0.740 180 G HN 0.417 nan 8.290 nan 0.000 0.611 181 S N 0.650 116.365 115.700 0.024 0.000 2.387 181 S HA -0.033 4.437 4.470 -0.001 0.000 0.226 181 S C 1.057 175.675 174.600 0.030 0.000 1.026 181 S CA 0.870 59.093 58.200 0.039 0.000 0.972 181 S CB -0.108 63.124 63.200 0.052 0.000 0.814 181 S HN 0.388 nan 8.310 nan 0.000 0.477 182 D N 1.311 121.714 120.400 0.005 0.000 2.688 182 D HA 0.442 5.082 4.640 -0.001 0.000 0.228 182 D C 0.896 177.129 176.300 -0.112 0.000 1.116 182 D CA -0.065 53.914 54.000 -0.034 0.000 1.023 182 D CB 0.030 40.819 40.800 -0.018 0.000 1.100 182 D HN 0.194 nan 8.370 nan 0.000 0.487 183 A N 0.910 123.631 122.820 -0.166 0.000 1.968 183 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 183 A C 2.174 179.431 177.584 -0.545 0.000 1.169 183 A CA 1.333 53.195 52.037 -0.292 0.000 0.638 183 A CB -0.374 18.477 19.000 -0.247 0.000 0.812 183 A HN 0.470 nan 8.150 nan 0.000 0.446 184 S N -0.805 114.502 115.700 -0.654 0.000 2.507 184 S HA 0.123 4.593 4.470 -0.001 0.000 0.235 184 S C 1.331 175.725 174.600 -0.344 0.000 0.988 184 S CA 0.796 58.558 58.200 -0.730 0.000 0.944 184 S CB -0.386 62.522 63.200 -0.487 0.000 0.762 184 S HN 0.690 nan 8.310 nan 0.000 0.526 185 G N 2.133 110.791 108.800 -0.236 0.000 3.820 185 G HA2 0.495 4.455 3.960 -0.001 0.000 0.293 185 G HA3 0.495 4.455 3.960 -0.001 0.000 0.293 185 G C 0.194 175.026 174.900 -0.113 0.000 1.152 185 G CA -0.763 44.256 45.100 -0.135 0.000 0.921 185 G HN 0.611 nan 8.290 nan 0.000 0.544 186 L N -2.365 118.772 121.223 -0.143 0.000 2.479 186 L HA 0.728 5.068 4.340 -0.001 0.000 0.270 186 L C 0.965 177.797 176.870 -0.063 0.000 1.236 186 L CA 0.020 54.800 54.840 -0.101 0.000 0.823 186 L CB 0.987 42.975 42.059 -0.118 0.000 1.098 186 L HN -0.054 nan 8.230 nan 0.000 0.500 187 G N -0.022 108.751 108.800 -0.046 0.000 3.519 187 G HA2 0.147 4.107 3.960 -0.001 0.000 0.269 187 G HA3 0.147 4.107 3.960 -0.001 0.000 0.269 187 G C 0.254 175.136 174.900 -0.031 0.000 1.028 187 G CA -0.093 44.988 45.100 -0.033 0.000 0.809 187 G HN 0.623 nan 8.290 nan 0.000 0.521 188 T N 2.417 116.949 114.554 -0.037 0.000 2.752 188 T HA 0.398 4.748 4.350 -0.001 0.000 0.295 188 T C 0.668 175.337 174.700 -0.052 0.000 0.923 188 T CA 0.069 62.141 62.100 -0.047 0.000 1.112 188 T CB 0.955 69.790 68.868 -0.055 0.000 0.884 188 T HN 0.303 nan 8.240 nan 0.000 0.525 189 T N 0.316 114.838 114.554 -0.053 0.000 2.882 189 T HA 0.638 4.988 4.350 -0.001 0.000 0.287 189 T C 0.051 174.699 174.700 -0.088 0.000 0.992 189 T CA -1.102 60.973 62.100 -0.042 0.000 1.076 189 T CB 1.353 70.213 68.868 -0.014 0.000 0.961 189 T HN 0.535 nan 8.240 nan 0.000 0.490 190 A N 3.078 125.861 122.820 -0.062 0.000 2.938 190 A HA 0.563 4.883 4.320 -0.001 0.000 0.344 190 A C 0.609 178.310 177.584 0.195 0.000 1.142 190 A CA -0.973 51.000 52.037 -0.107 0.000 0.841 190 A CB -0.456 18.351 19.000 -0.321 0.000 1.083 190 A HN 0.984 nan 8.150 nan 0.000 0.479 191 T N -0.368 114.279 114.554 0.155 0.000 2.834 191 T HA 0.369 4.719 4.350 -0.001 0.000 0.298 191 T C 0.043 174.873 174.700 0.217 0.000 0.966 191 T CA -0.445 61.761 62.100 0.177 0.000 1.141 191 T CB 0.932 69.849 68.868 0.080 0.000 0.905 191 T HN 0.469 nan 8.240 nan 0.000 0.535 192 K N 2.475 122.946 120.400 0.119 0.000 2.339 192 K HA 0.453 4.772 4.320 -0.001 0.000 0.286 192 K C -0.657 175.838 176.600 -0.174 0.000 1.050 192 K CA -0.419 55.719 56.287 -0.249 0.000 0.956 192 K CB 0.366 32.630 32.500 -0.393 0.000 0.990 192 K HN 0.573 nan 8.250 nan 0.000 0.475 193 V N 2.951 122.742 119.914 -0.205 0.000 3.158 193 V HA 0.333 4.453 4.120 -0.001 0.000 0.315 193 V C -0.812 175.221 176.094 -0.101 0.000 1.148 193 V CA -0.984 61.269 62.300 -0.078 0.000 1.042 193 V CB 1.845 33.697 31.823 0.048 0.000 1.101 193 V HN 0.947 nan 8.190 nan 0.000 0.448 194 E N 1.125 121.303 120.200 -0.037 0.000 2.328 194 E HA 0.339 4.689 4.350 -0.001 0.000 0.265 194 E C 0.871 177.493 176.600 0.036 0.000 1.057 194 E CA 0.999 57.381 56.400 -0.030 0.000 0.916 194 E CB 0.230 29.914 29.700 -0.026 0.000 0.993 194 E HN 1.210 nan 8.360 nan 0.000 0.446 195 G N 2.749 111.554 108.800 0.008 0.000 2.199 195 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.254 195 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.254 195 G C 0.431 175.398 174.900 0.112 0.000 0.982 195 G CA 0.030 45.184 45.100 0.091 0.000 0.632 195 G HN 1.083 nan 8.290 nan 0.000 0.529 196 G N -1.820 106.959 108.800 -0.036 0.000 2.485 196 G HA2 0.513 4.472 3.960 -0.001 0.000 0.182 196 G HA3 0.513 4.472 3.960 -0.001 0.000 0.182 196 G C -1.593 172.982 174.900 -0.541 0.000 1.172 196 G CA -0.005 44.913 45.100 -0.303 0.000 0.996 196 G HN 0.790 nan 8.290 nan 0.000 0.496 197 W N 0.036 121.182 121.300 -0.257 0.000 2.962 197 W HA 0.761 5.422 4.660 0.000 0.000 0.341 197 W C -0.446 175.977 176.519 -0.160 0.000 1.155 197 W CA -0.766 56.484 57.345 -0.159 0.000 1.165 197 W CB 1.947 31.291 29.460 -0.194 0.000 1.435 197 W HN 0.078 nan 8.180 nan 0.000 0.546 198 K N 3.120 123.606 120.400 0.143 0.000 2.464 198 K HA 0.358 4.678 4.320 -0.001 0.000 0.252 198 K C -0.775 175.804 176.600 -0.035 0.000 1.000 198 K CA -0.623 55.707 56.287 0.071 0.000 0.951 198 K CB 1.049 33.604 32.500 0.091 0.000 1.183 198 K HN 0.331 nan 8.250 nan 0.000 0.445 199 I N 2.816 123.308 120.570 -0.129 0.000 2.396 199 I HA 0.187 4.357 4.170 -0.001 0.000 0.289 199 I C 0.095 176.144 176.117 -0.113 0.000 1.056 199 I CA -0.195 60.977 61.300 -0.214 0.000 1.365 199 I CB 0.204 38.006 38.000 -0.329 0.000 1.407 199 I HN 0.292 nan 8.210 nan 0.000 0.509 200 N N 4.860 123.503 118.700 -0.095 0.000 2.346 200 N HA 0.763 5.502 4.740 -0.001 0.000 0.289 200 N C 0.021 175.496 175.510 -0.058 0.000 1.027 200 N CA -0.209 52.806 53.050 -0.058 0.000 0.864 200 N CB 2.874 41.342 38.487 -0.033 0.000 1.370 200 N HN 0.932 nan 8.380 nan 0.000 0.481 201 G N 0.542 109.312 108.800 -0.049 0.000 2.343 201 G HA2 0.092 4.052 3.960 -0.001 0.000 0.289 201 G HA3 0.092 4.052 3.960 -0.001 0.000 0.289 201 G C -2.104 172.773 174.900 -0.039 0.000 1.295 201 G CA -0.643 44.431 45.100 -0.043 0.000 0.869 201 G HN 0.443 nan 8.290 nan 0.000 0.522 202 Q N -0.366 119.413 119.800 -0.034 0.000 2.397 202 Q HA 0.653 4.992 4.340 -0.001 0.000 0.275 202 Q C -1.187 174.797 176.000 -0.026 0.000 1.090 202 Q CA -0.944 54.840 55.803 -0.031 0.000 0.809 202 Q CB 1.857 30.579 28.738 -0.026 0.000 1.362 202 Q HN 0.387 nan 8.270 nan 0.000 0.431 203 K N 2.208 122.593 120.400 -0.026 0.000 2.435 203 K HA 0.570 4.890 4.320 -0.001 0.000 0.251 203 K C -1.190 175.402 176.600 -0.014 0.000 0.954 203 K CA -0.708 55.571 56.287 -0.012 0.000 0.820 203 K CB 2.473 34.964 32.500 -0.015 0.000 1.292 203 K HN 0.646 nan 8.250 nan 0.000 0.436 204 R N 0.341 120.856 120.500 0.025 0.000 2.604 204 R HA 0.274 4.614 4.340 -0.001 0.000 0.281 204 R C -0.876 175.515 176.300 0.151 0.000 1.020 204 R CA -0.197 55.894 56.100 -0.016 0.000 0.899 204 R CB 0.907 31.183 30.300 -0.039 0.000 1.205 204 R HN 0.807 nan 8.270 nan 0.000 0.450 205 W N 2.170 123.470 121.300 0.001 0.000 1.266 205 W HA -0.191 4.468 4.660 -0.001 0.000 0.245 205 W C -0.528 175.989 176.519 -0.004 0.000 1.005 205 W CA -0.309 57.036 57.345 0.000 0.000 0.396 205 W CB -1.371 28.097 29.460 0.012 0.000 2.016 205 W HN 0.386 nan 8.180 nan 0.000 1.120 206 I N 1.811 122.479 120.570 0.163 0.000 2.505 206 I HA 0.302 4.471 4.170 -0.001 0.000 0.287 206 I C 1.462 177.620 176.117 0.068 0.000 1.104 206 I CA 1.012 62.381 61.300 0.115 0.000 1.387 206 I CB -0.103 37.934 38.000 0.060 0.000 1.404 206 I HN 0.028 nan 8.210 nan 0.000 0.528 207 G N 4.489 113.335 108.800 0.076 0.000 2.406 207 G HA2 0.252 4.212 3.960 -0.001 0.000 0.251 207 G HA3 0.252 4.212 3.960 -0.001 0.000 0.251 207 G C 0.635 175.505 174.900 -0.050 0.000 1.271 207 G CA -0.244 44.881 45.100 0.042 0.000 0.859 207 G HN 0.780 nan 8.290 nan 0.000 0.540 208 N N -0.057 118.551 118.700 -0.152 0.000 2.967 208 N HA -0.315 4.424 4.740 -0.001 0.000 0.218 208 N C 1.979 177.081 175.510 -0.680 0.000 0.870 208 N CA 1.832 54.505 53.050 -0.629 0.000 1.030 208 N CB -1.418 36.787 38.487 -0.470 0.000 1.027 208 N HN 0.810 nan 8.380 nan 0.000 0.603 209 S N -0.106 115.426 115.700 -0.279 0.000 2.392 209 S HA -0.240 4.230 4.470 -0.001 0.000 0.232 209 S C 1.972 176.485 174.600 -0.146 0.000 1.041 209 S CA 2.368 60.463 58.200 -0.174 0.000 1.026 209 S CB -1.191 61.963 63.200 -0.077 0.000 0.845 209 S HN 0.655 nan 8.310 nan 0.000 0.465 210 T N -0.708 113.789 114.554 -0.094 0.000 3.007 210 T HA 0.051 4.401 4.350 -0.001 0.000 0.270 210 T C 1.140 175.936 174.700 0.160 0.000 1.107 210 T CA 0.888 63.021 62.100 0.056 0.000 1.118 210 T CB -0.745 68.212 68.868 0.148 0.000 0.889 210 T HN 0.809 nan 8.240 nan 0.000 0.506 211 F N -0.328 119.661 119.950 0.066 0.000 2.915 211 F HA 0.802 5.329 4.527 -0.000 0.000 0.347 211 F C 0.397 176.251 175.800 0.090 0.000 1.104 211 F CA -1.723 56.331 58.000 0.089 0.000 1.126 211 F CB -0.185 38.925 39.000 0.183 0.000 1.145 211 F HN 0.163 nan 8.300 nan 0.000 0.541 212 A N 1.249 123.905 122.820 -0.274 0.000 2.440 212 A HA 0.310 4.630 4.320 -0.001 0.000 0.251 212 A C 0.437 178.017 177.584 -0.005 0.000 1.089 212 A CA 0.173 52.115 52.037 -0.159 0.000 0.779 212 A CB 0.019 18.891 19.000 -0.212 0.000 1.022 212 A HN 0.452 nan 8.150 nan 0.000 0.492 213 D N 0.649 121.080 120.400 0.052 0.000 2.162 213 D HA 0.112 4.752 4.640 -0.001 0.000 0.203 213 D C -0.202 176.102 176.300 0.007 0.000 0.967 213 D CA 0.959 54.994 54.000 0.059 0.000 0.840 213 D CB -0.061 40.800 40.800 0.102 0.000 0.972 213 D HN 0.345 nan 8.370 nan 0.000 0.482 214 L N 0.630 121.838 121.223 -0.025 0.000 2.322 214 L HA 0.398 4.738 4.340 -0.001 0.000 0.281 214 L C -1.167 175.649 176.870 -0.089 0.000 1.014 214 L CA -0.455 54.327 54.840 -0.097 0.000 0.815 214 L CB 1.791 43.748 42.059 -0.169 0.000 1.247 214 L HN -0.107 nan 8.230 nan 0.000 0.421 215 L N 5.248 126.412 121.223 -0.099 0.000 2.366 215 L HA 0.439 4.779 4.340 -0.001 0.000 0.266 215 L C -0.175 176.630 176.870 -0.108 0.000 1.010 215 L CA 0.080 54.871 54.840 -0.083 0.000 0.879 215 L CB 0.893 42.910 42.059 -0.070 0.000 1.228 215 L HN 0.416 nan 8.230 nan 0.000 0.439 216 I N 4.467 124.976 120.570 -0.101 0.000 2.349 216 I HA 0.109 4.278 4.170 -0.001 0.000 0.302 216 I C 0.006 175.980 176.117 -0.237 0.000 1.180 216 I CA 0.360 61.554 61.300 -0.177 0.000 1.405 216 I CB -0.215 37.732 38.000 -0.089 0.000 1.474 216 I HN 0.437 nan 8.210 nan 0.000 0.632 217 I N 5.761 126.200 120.570 -0.218 0.000 2.331 217 I HA 0.242 4.412 4.170 -0.001 0.000 0.292 217 I C -0.215 175.784 176.117 -0.197 0.000 0.998 217 I CA -0.414 60.796 61.300 -0.149 0.000 1.267 217 I CB 0.832 38.769 38.000 -0.106 0.000 1.386 217 I HN 0.242 nan 8.210 nan 0.000 0.476 218 F N 5.192 125.033 119.950 -0.182 0.000 2.411 218 F HA 0.627 5.154 4.527 -0.000 0.000 0.350 218 F C 0.603 176.366 175.800 -0.061 0.000 1.114 218 F CA -0.135 57.794 58.000 -0.119 0.000 1.135 218 F CB 1.258 40.123 39.000 -0.225 0.000 1.120 218 F HN 0.448 nan 8.300 nan 0.000 0.495 219 A N 3.749 126.667 122.820 0.163 0.000 2.532 219 A HA 0.757 5.077 4.320 -0.001 0.000 0.290 219 A C -0.929 176.705 177.584 0.083 0.000 1.143 219 A CA -1.036 51.030 52.037 0.048 0.000 0.728 219 A CB 1.441 20.344 19.000 -0.160 0.000 1.317 219 A HN 0.705 nan 8.150 nan 0.000 0.414 220 R N 1.579 122.091 120.500 0.020 0.000 2.196 220 R HA 0.139 4.478 4.340 -0.001 0.000 0.340 220 R C -0.362 175.963 176.300 0.043 0.000 1.043 220 R CA -0.455 55.663 56.100 0.031 0.000 0.883 220 R CB 0.270 30.576 30.300 0.010 0.000 1.078 220 R HN 0.748 nan 8.270 nan 0.000 0.462 221 N N 2.957 121.693 118.700 0.060 0.000 2.411 221 N HA -0.084 4.656 4.740 -0.001 0.000 0.282 221 N C 0.707 176.295 175.510 0.131 0.000 1.322 221 N CA 0.472 53.585 53.050 0.105 0.000 0.943 221 N CB 0.996 39.525 38.487 0.070 0.000 1.266 221 N HN 0.676 nan 8.380 nan 0.000 0.486 222 T N 0.215 114.861 114.554 0.153 0.000 2.929 222 T HA -0.126 4.224 4.350 -0.001 0.000 0.271 222 T C 1.520 176.284 174.700 0.107 0.000 1.085 222 T CA 1.553 63.718 62.100 0.110 0.000 1.125 222 T CB -0.186 68.740 68.868 0.097 0.000 0.874 222 T HN 0.400 nan 8.240 nan 0.000 0.494 223 T N 2.302 116.946 114.554 0.149 0.000 2.809 223 T HA -0.031 4.319 4.350 -0.001 0.000 0.260 223 T C 2.331 177.087 174.700 0.093 0.000 1.039 223 T CA 1.647 63.817 62.100 0.117 0.000 1.141 223 T CB -0.579 68.373 68.868 0.140 0.000 0.869 223 T HN 0.764 nan 8.240 nan 0.000 0.437 224 T N -0.814 113.802 114.554 0.104 0.000 3.044 224 T HA 0.154 4.504 4.350 -0.001 0.000 0.250 224 T C 1.022 175.756 174.700 0.056 0.000 1.081 224 T CA 0.099 62.244 62.100 0.074 0.000 1.040 224 T CB -0.245 68.668 68.868 0.075 0.000 0.962 224 T HN 0.277 nan 8.240 nan 0.000 0.506 225 N N 1.193 119.928 118.700 0.059 0.000 2.741 225 N HA -0.141 4.598 4.740 -0.001 0.000 0.250 225 N C -0.773 174.759 175.510 0.036 0.000 1.115 225 N CA 0.697 53.773 53.050 0.042 0.000 0.724 225 N CB -0.634 37.872 38.487 0.031 0.000 1.090 225 N HN 0.585 nan 8.380 nan 0.000 0.558 226 Q N -0.148 119.679 119.800 0.044 0.000 2.418 226 Q HA 0.519 4.858 4.340 -0.001 0.000 0.276 226 Q C 0.039 176.068 176.000 0.049 0.000 1.081 226 Q CA -0.641 55.189 55.803 0.045 0.000 0.864 226 Q CB 1.073 29.838 28.738 0.045 0.000 1.384 226 Q HN 0.217 nan 8.270 nan 0.000 0.467 227 I N 1.481 122.095 120.570 0.074 0.000 2.342 227 I HA 0.212 4.381 4.170 -0.001 0.000 0.291 227 I C -0.236 175.925 176.117 0.073 0.000 1.010 227 I CA -0.031 61.334 61.300 0.109 0.000 1.308 227 I CB 0.452 38.565 38.000 0.188 0.000 1.400 227 I HN 0.318 nan 8.210 nan 0.000 0.488 228 N N 2.829 121.530 118.700 0.001 0.000 2.328 228 N HA 0.748 5.487 4.740 -0.001 0.000 0.299 228 N C -0.304 174.911 175.510 -0.491 0.000 1.179 228 N CA -0.625 52.255 53.050 -0.283 0.000 0.793 228 N CB 1.941 40.101 38.487 -0.545 0.000 1.366 228 N HN 0.702 nan 8.380 nan 0.000 0.493 229 G N 0.236 108.556 108.800 -0.800 0.000 2.348 229 G HA2 0.629 4.588 3.960 -0.001 0.000 0.312 229 G HA3 0.629 4.588 3.960 -0.001 0.000 0.312 229 G C -1.296 172.944 174.900 -1.101 0.000 1.126 229 G CA -0.171 44.343 45.100 -0.977 0.000 0.865 229 G HN 0.334 nan 8.290 nan 0.000 0.474 230 F N 0.907 120.518 119.950 -0.565 0.000 2.547 230 F HA 0.420 4.947 4.527 -0.001 0.000 0.316 230 F C 0.169 175.757 175.800 -0.353 0.000 1.121 230 F CA -0.811 56.938 58.000 -0.418 0.000 0.911 230 F CB 2.361 41.123 39.000 -0.395 0.000 1.179 230 F HN 0.216 nan 8.300 nan 0.000 0.443 231 I N 4.337 124.826 120.570 -0.134 0.000 2.281 231 I HA 0.259 4.429 4.170 -0.001 0.000 0.293 231 I C -0.675 175.369 176.117 -0.122 0.000 1.085 231 I CA -0.514 60.674 61.300 -0.186 0.000 1.257 231 I CB 0.472 38.293 38.000 -0.298 0.000 1.430 231 I HN 0.221 nan 8.210 nan 0.000 0.489 232 V N 7.344 127.192 119.914 -0.109 0.000 2.407 232 V HA 0.270 4.390 4.120 -0.001 0.000 0.278 232 V C 0.555 176.608 176.094 -0.068 0.000 1.037 232 V CA -0.906 61.348 62.300 -0.075 0.000 0.900 232 V CB 1.142 32.921 31.823 -0.074 0.000 0.983 232 V HN 0.545 nan 8.190 nan 0.000 0.459 233 K N 3.303 123.683 120.400 -0.032 0.000 2.168 233 K HA 0.280 4.600 4.320 -0.001 0.000 0.258 233 K C 0.166 176.768 176.600 0.004 0.000 1.010 233 K CA -0.527 55.755 56.287 -0.007 0.000 0.929 233 K CB 0.917 33.438 32.500 0.035 0.000 0.998 233 K HN 0.544 nan 8.250 nan 0.000 0.479 234 K N 1.285 121.695 120.400 0.017 0.000 2.319 234 K HA -0.114 4.206 4.320 -0.001 0.000 0.265 234 K C -0.287 176.331 176.600 0.030 0.000 1.000 234 K CA 0.436 56.737 56.287 0.023 0.000 0.943 234 K CB 0.327 32.852 32.500 0.042 0.000 0.950 234 K HN 0.527 nan 8.250 nan 0.000 0.485 235 D N -0.518 119.898 120.400 0.026 0.000 3.006 235 D HA -0.215 4.425 4.640 -0.001 0.000 0.208 235 D C -0.388 175.929 176.300 0.027 0.000 1.116 235 D CA 1.409 55.425 54.000 0.027 0.000 0.998 235 D CB -1.204 39.615 40.800 0.031 0.000 1.124 235 D HN 0.716 nan 8.370 nan 0.000 0.413 236 A N 0.974 123.812 122.820 0.029 0.000 2.584 236 A HA 0.285 4.604 4.320 -0.001 0.000 0.239 236 A C -1.959 175.645 177.584 0.033 0.000 1.043 236 A CA -0.300 51.760 52.037 0.039 0.000 0.756 236 A CB 0.089 19.112 19.000 0.039 0.000 0.963 236 A HN -0.066 nan 8.150 nan 0.000 0.511 237 P HA 0.239 nan 4.420 nan 0.000 0.261 237 P C 1.089 178.406 177.300 0.027 0.000 1.183 237 P CA 1.821 64.939 63.100 0.029 0.000 0.761 237 P CB 0.540 32.258 31.700 0.030 0.000 0.785 238 G N 1.831 110.640 108.800 0.015 0.000 2.213 238 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.236 238 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.236 238 G C -0.320 174.579 174.900 -0.001 0.000 0.991 238 G CA -0.141 44.963 45.100 0.008 0.000 0.629 238 G HN 0.607 nan 8.290 nan 0.000 0.517 239 L N 0.953 122.176 121.223 0.000 0.000 2.289 239 L HA 0.865 5.205 4.340 -0.001 0.000 0.285 239 L C -0.095 176.771 176.870 -0.007 0.000 1.049 239 L CA -0.678 54.157 54.840 -0.009 0.000 0.804 239 L CB 1.364 43.418 42.059 -0.009 0.000 1.195 239 L HN 0.141 nan 8.230 nan 0.000 0.428 240 K N 4.578 124.970 120.400 -0.013 0.000 2.668 240 K HA 0.721 5.040 4.320 -0.001 0.000 0.246 240 K C -1.685 174.904 176.600 -0.017 0.000 0.976 240 K CA -0.439 55.842 56.287 -0.011 0.000 0.902 240 K CB 1.393 33.886 32.500 -0.011 0.000 1.172 240 K HN 0.777 nan 8.250 nan 0.000 0.452 241 A N 2.823 125.635 122.820 -0.013 0.000 2.267 241 A HA 0.448 4.767 4.320 -0.001 0.000 0.315 241 A C -0.259 177.319 177.584 -0.011 0.000 1.297 241 A CA -0.554 51.471 52.037 -0.019 0.000 0.865 241 A CB 0.599 19.586 19.000 -0.021 0.000 1.165 241 A HN 0.644 nan 8.150 nan 0.000 0.513 242 T N 0.088 114.627 114.554 -0.025 0.000 2.859 242 T HA 0.502 4.851 4.350 -0.001 0.000 0.281 242 T C -0.109 174.570 174.700 -0.035 0.000 1.005 242 T CA -0.842 61.245 62.100 -0.022 0.000 1.025 242 T CB 1.213 70.062 68.868 -0.031 0.000 0.977 242 T HN 0.641 nan 8.240 nan 0.000 0.458 243 K N 2.664 123.055 120.400 -0.014 0.000 2.451 243 K HA 0.196 4.516 4.320 -0.001 0.000 0.280 243 K C -0.429 176.130 176.600 -0.069 0.000 1.020 243 K CA -0.385 55.891 56.287 -0.018 0.000 1.008 243 K CB 0.169 32.681 32.500 0.021 0.000 0.917 243 K HN 0.633 nan 8.250 nan 0.000 0.478 244 I N 8.083 128.584 120.570 -0.114 0.000 2.337 244 I HA 0.175 4.345 4.170 -0.001 0.000 0.291 244 I C -1.755 174.289 176.117 -0.120 0.000 1.046 244 I CA -1.956 59.230 61.300 -0.189 0.000 1.324 244 I CB 1.008 38.774 38.000 -0.391 0.000 1.409 244 I HN 0.613 nan 8.210 nan 0.000 0.494 245 P HA 0.362 nan 4.420 nan 0.000 0.286 245 P C -0.777 176.493 177.300 -0.050 0.000 1.292 245 P CA -0.455 62.609 63.100 -0.059 0.000 0.842 245 P CB 0.793 32.466 31.700 -0.045 0.000 1.207 246 N N -2.659 116.018 118.700 -0.038 0.000 2.776 246 N HA -0.135 4.604 4.740 -0.001 0.000 0.250 246 N C -0.583 174.926 175.510 -0.001 0.000 1.112 246 N CA 0.838 53.875 53.050 -0.022 0.000 0.733 246 N CB -1.984 36.498 38.487 -0.009 0.000 1.097 246 N HN 0.561 nan 8.380 nan 0.000 0.558 247 K N 0.747 121.142 120.400 -0.008 0.000 2.270 247 K HA 0.285 4.605 4.320 -0.001 0.000 0.276 247 K C 1.970 178.556 176.600 -0.024 0.000 1.023 247 K CA -0.172 56.136 56.287 0.035 0.000 0.955 247 K CB 0.836 33.373 32.500 0.063 0.000 0.975 247 K HN 0.285 nan 8.250 nan 0.000 0.471 248 I N -1.767 118.826 120.570 0.039 0.000 3.427 248 I HA 0.196 4.365 4.170 -0.001 0.000 0.288 248 I C 0.735 176.944 176.117 0.153 0.000 1.249 248 I CA -0.021 61.317 61.300 0.064 0.000 1.421 248 I CB 0.459 38.520 38.000 0.102 0.000 1.086 248 I HN 0.437 nan 8.210 nan 0.000 0.448 249 G N 0.728 109.616 108.800 0.147 0.000 2.605 249 G HA2 0.591 4.550 3.960 -0.001 0.000 0.296 249 G HA3 0.591 4.550 3.960 -0.001 0.000 0.296 249 G C -0.178 174.849 174.900 0.212 0.000 1.304 249 G CA -0.995 44.271 45.100 0.277 0.000 0.941 249 G HN 0.278 nan 8.290 nan 0.000 0.475 250 L N -0.263 121.164 121.223 0.340 0.000 3.854 250 L HA -0.240 4.100 4.340 -0.001 0.000 0.460 250 L C 2.064 179.004 176.870 0.118 0.000 1.228 250 L CA -0.009 54.992 54.840 0.269 0.000 0.760 250 L CB -0.835 41.333 42.059 0.181 0.000 1.597 250 L HN 0.692 nan 8.230 nan 0.000 0.852 251 R N -0.037 120.405 120.500 -0.097 0.000 2.148 251 R HA -0.041 4.299 4.340 -0.001 0.000 0.223 251 R C 2.071 178.300 176.300 -0.119 0.000 1.088 251 R CA 1.486 57.385 56.100 -0.336 0.000 0.985 251 R CB -0.064 29.639 30.300 -0.996 0.000 0.880 251 R HN 0.516 nan 8.270 nan 0.000 0.451 252 M N 0.358 119.970 119.600 0.021 0.000 2.349 252 M HA -0.030 4.449 4.480 -0.001 0.000 0.266 252 M C 0.276 176.726 176.300 0.250 0.000 1.076 252 M CA 0.660 56.036 55.300 0.127 0.000 1.126 252 M CB 0.451 33.119 32.600 0.113 0.000 1.392 252 M HN -0.171 nan 8.290 nan 0.000 0.440 253 V N 2.756 122.812 119.914 0.236 0.000 2.458 253 V HA -0.074 4.046 4.120 -0.001 0.000 0.287 253 V C 0.402 176.611 176.094 0.192 0.000 1.009 253 V CA 0.075 62.528 62.300 0.254 0.000 1.091 253 V CB -0.117 31.826 31.823 0.201 0.000 0.960 253 V HN 0.278 nan 8.190 nan 0.000 0.476 254 Q N 4.542 124.470 119.800 0.212 0.000 2.513 254 Q HA 0.211 4.551 4.340 -0.001 0.000 0.227 254 Q C -0.102 175.962 176.000 0.106 0.000 1.257 254 Q CA 0.056 55.971 55.803 0.186 0.000 0.915 254 Q CB -0.054 28.884 28.738 0.333 0.000 1.507 254 Q HN 0.642 nan 8.270 nan 0.000 0.543 255 N N 0.834 119.585 118.700 0.084 0.000 2.518 255 N HA 0.524 5.264 4.740 -0.001 0.000 0.283 255 N C 0.005 175.498 175.510 -0.028 0.000 1.119 255 N CA 0.075 53.159 53.050 0.057 0.000 0.983 255 N CB 1.787 40.359 38.487 0.142 0.000 1.139 255 N HN 0.467 nan 8.380 nan 0.000 0.465 256 G N 0.320 109.090 108.800 -0.050 0.000 2.660 256 G HA2 0.264 4.224 3.960 -0.001 0.000 0.294 256 G HA3 0.264 4.224 3.960 -0.001 0.000 0.294 256 G C -1.395 173.437 174.900 -0.114 0.000 1.369 256 G CA -0.572 44.476 45.100 -0.086 0.000 0.912 256 G HN 0.344 nan 8.290 nan 0.000 0.479 257 D N 0.757 121.081 120.400 -0.126 0.000 2.280 257 D HA 0.302 4.942 4.640 -0.001 0.000 0.243 257 D C -0.009 176.251 176.300 -0.067 0.000 1.129 257 D CA 0.295 54.228 54.000 -0.112 0.000 0.848 257 D CB 2.285 43.011 40.800 -0.123 0.000 1.107 257 D HN 0.147 nan 8.370 nan 0.000 0.471 258 I N 2.733 123.272 120.570 -0.052 0.000 2.336 258 I HA 0.231 4.401 4.170 -0.001 0.000 0.292 258 I C 0.104 176.198 176.117 -0.039 0.000 0.991 258 I CA -0.584 60.691 61.300 -0.041 0.000 1.227 258 I CB 1.328 39.305 38.000 -0.037 0.000 1.366 258 I HN 0.114 nan 8.210 nan 0.000 0.466 259 L N 7.292 128.494 121.223 -0.035 0.000 2.325 259 L HA 0.581 4.920 4.340 -0.001 0.000 0.278 259 L C -0.895 175.956 176.870 -0.032 0.000 1.023 259 L CA -0.710 54.111 54.840 -0.032 0.000 0.811 259 L CB 1.641 43.684 42.059 -0.027 0.000 1.249 259 L HN 0.452 nan 8.230 nan 0.000 0.431 260 L N 4.087 125.289 121.223 -0.035 0.000 2.415 260 L HA 0.430 4.770 4.340 -0.001 0.000 0.268 260 L C -0.891 175.960 176.870 -0.031 0.000 0.984 260 L CA -0.332 54.485 54.840 -0.039 0.000 0.853 260 L CB 1.739 43.762 42.059 -0.060 0.000 1.215 260 L HN 0.555 nan 8.230 nan 0.000 0.419 261 Q N 3.408 123.196 119.800 -0.020 0.000 2.363 261 Q HA 0.330 4.670 4.340 -0.001 0.000 0.265 261 Q C -0.411 175.589 176.000 -0.001 0.000 1.032 261 Q CA -0.738 55.058 55.803 -0.011 0.000 0.746 261 Q CB 1.467 30.200 28.738 -0.008 0.000 1.237 261 Q HN 0.465 nan 8.270 nan 0.000 0.475 262 N N 0.631 119.333 118.700 0.002 0.000 2.714 262 N HA -0.156 4.584 4.740 -0.001 0.000 0.252 262 N C -0.958 174.581 175.510 0.050 0.000 1.014 262 N CA 0.524 53.589 53.050 0.025 0.000 0.735 262 N CB -0.847 37.656 38.487 0.027 0.000 0.924 262 N HN 0.285 nan 8.380 nan 0.000 0.540 263 V N 1.699 121.627 119.914 0.023 0.000 2.415 263 V HA 0.092 4.212 4.120 -0.001 0.000 0.267 263 V C 0.761 176.899 176.094 0.073 0.000 1.042 263 V CA -0.429 61.893 62.300 0.036 0.000 1.000 263 V CB -0.050 31.761 31.823 -0.020 0.000 1.015 263 V HN 0.212 nan 8.190 nan 0.000 0.478 264 F N 6.610 126.556 119.950 -0.007 0.000 2.456 264 F HA 0.489 5.015 4.527 -0.001 0.000 0.358 264 F C 0.042 175.867 175.800 0.042 0.000 1.095 264 F CA -0.058 57.954 58.000 0.019 0.000 1.216 264 F CB 0.907 39.919 39.000 0.020 0.000 1.125 264 F HN 0.246 nan 8.300 nan 0.000 0.549 265 V N 8.334 127.840 119.914 -0.680 0.000 2.409 265 V HA 0.329 4.449 4.120 -0.001 0.000 0.290 265 V C -2.155 173.523 176.094 -0.694 0.000 1.017 265 V CA -1.771 60.250 62.300 -0.464 0.000 0.841 265 V CB 1.426 33.180 31.823 -0.114 0.000 1.003 265 V HN 0.644 nan 8.190 nan 0.000 0.426 266 P HA 0.132 nan 4.420 nan 0.000 0.269 266 P C 0.238 177.548 177.300 0.016 0.000 1.215 266 P CA -0.025 62.922 63.100 -0.255 0.000 0.780 266 P CB 1.133 32.874 31.700 0.069 0.000 0.898 267 D N 1.242 121.682 120.400 0.066 0.000 2.228 267 D HA -0.196 4.443 4.640 -0.001 0.000 0.203 267 D C 1.672 178.054 176.300 0.137 0.000 0.988 267 D CA 1.518 55.609 54.000 0.151 0.000 0.864 267 D CB -0.107 40.733 40.800 0.068 0.000 0.928 267 D HN 0.652 nan 8.370 nan 0.000 0.469 268 E N 0.124 120.381 120.200 0.096 0.000 2.274 268 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 268 E C 0.733 177.382 176.600 0.081 0.000 0.996 268 E CA 0.831 57.280 56.400 0.081 0.000 0.840 268 E CB 0.046 29.793 29.700 0.077 0.000 0.772 268 E HN 0.021 nan 8.360 nan 0.000 0.491 269 D N 0.606 121.054 120.400 0.081 0.000 2.363 269 D HA 0.068 4.708 4.640 -0.001 0.000 0.214 269 D C -0.151 176.134 176.300 -0.025 0.000 1.093 269 D CA 0.001 54.031 54.000 0.050 0.000 0.837 269 D CB 0.150 40.979 40.800 0.048 0.000 0.948 269 D HN 0.062 nan 8.370 nan 0.000 0.507 270 R N 1.195 121.675 120.500 -0.034 0.000 2.308 270 R HA 0.288 4.628 4.340 -0.001 0.000 0.305 270 R C -0.211 175.918 176.300 -0.285 0.000 1.053 270 R CA -0.498 55.436 56.100 -0.278 0.000 0.957 270 R CB 0.667 30.818 30.300 -0.249 0.000 1.022 270 R HN -0.019 nan 8.270 nan 0.000 0.461 271 L N 7.940 128.907 121.223 -0.427 0.000 2.433 271 L HA 0.149 4.488 4.340 -0.001 0.000 0.275 271 L C -1.170 175.540 176.870 -0.266 0.000 1.128 271 L CA -1.282 53.375 54.840 -0.306 0.000 0.875 271 L CB 1.003 42.859 42.059 -0.338 0.000 1.171 271 L HN 0.520 nan 8.230 nan 0.000 0.463 272 P HA -0.057 nan 4.420 nan 0.000 0.229 272 P C 1.265 178.510 177.300 -0.093 0.000 1.160 272 P CA 0.745 63.782 63.100 -0.106 0.000 0.777 272 P CB 0.386 32.053 31.700 -0.056 0.000 0.814 273 G N 0.423 109.165 108.800 -0.097 0.000 2.408 273 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.215 273 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.215 273 G C 0.559 175.418 174.900 -0.068 0.000 1.156 273 G CA 0.119 45.178 45.100 -0.068 0.000 0.793 273 G HN 0.172 nan 8.290 nan 0.000 0.535 274 V N 2.453 122.304 119.914 -0.106 0.000 2.370 274 V HA 0.186 4.306 4.120 -0.001 0.000 0.257 274 V C 0.503 176.536 176.094 -0.101 0.000 1.064 274 V CA -0.172 62.079 62.300 -0.082 0.000 0.975 274 V CB 0.714 32.468 31.823 -0.114 0.000 1.067 274 V HN 0.221 nan 8.190 nan 0.000 0.485 275 N N 1.847 120.520 118.700 -0.045 0.000 2.460 275 N HA 0.088 4.828 4.740 -0.001 0.000 0.193 275 N C 0.739 176.252 175.510 0.006 0.000 1.080 275 N CA 0.578 53.608 53.050 -0.033 0.000 0.869 275 N CB 0.927 39.402 38.487 -0.020 0.000 1.201 275 N HN 0.719 nan 8.380 nan 0.000 0.457 276 S N -1.131 114.587 115.700 0.029 0.000 2.811 276 S HA 0.359 4.828 4.470 -0.001 0.000 0.311 276 S C 0.455 175.134 174.600 0.131 0.000 1.152 276 S CA -0.666 57.581 58.200 0.078 0.000 0.864 276 S CB 0.813 64.053 63.200 0.066 0.000 1.226 276 S HN -0.017 nan 8.310 nan 0.000 0.541 277 F N 1.462 121.418 119.950 0.009 0.000 2.365 277 F HA 0.043 4.570 4.527 -0.001 0.000 0.300 277 F C 2.386 178.188 175.800 0.002 0.000 1.090 277 F CA 1.366 59.369 58.000 0.006 0.000 1.408 277 F CB -0.549 38.437 39.000 -0.024 0.000 1.060 277 F HN 0.657 nan 8.300 nan 0.000 0.534 278 Q N -0.187 119.575 119.800 -0.063 0.000 2.226 278 Q HA -0.201 4.139 4.340 -0.001 0.000 0.204 278 Q C 1.575 177.479 176.000 -0.159 0.000 0.975 278 Q CA 1.516 57.237 55.803 -0.138 0.000 0.866 278 Q CB -0.255 28.455 28.738 -0.046 0.000 0.915 278 Q HN 0.428 nan 8.270 nan 0.000 0.440 279 D N -0.179 120.160 120.400 -0.102 0.000 2.178 279 D HA -0.090 4.550 4.640 -0.001 0.000 0.202 279 D C 1.689 177.939 176.300 -0.082 0.000 0.974 279 D CA 1.153 55.113 54.000 -0.068 0.000 0.841 279 D CB -0.113 40.673 40.800 -0.023 0.000 0.953 279 D HN 0.177 nan 8.370 nan 0.000 0.478 280 T N 0.284 114.747 114.554 -0.152 0.000 2.867 280 T HA -0.075 4.275 4.350 -0.001 0.000 0.268 280 T C 1.583 176.146 174.700 -0.229 0.000 1.057 280 T CA 0.701 62.713 62.100 -0.146 0.000 1.136 280 T CB -0.120 68.567 68.868 -0.301 0.000 0.874 280 T HN -0.039 nan 8.240 nan 0.000 0.466 281 S N 1.127 116.618 115.700 -0.348 0.000 3.048 281 S HA 0.080 4.550 4.470 -0.001 0.000 0.254 281 S C 1.270 175.788 174.600 -0.136 0.000 1.084 281 S CA 0.197 58.242 58.200 -0.259 0.000 1.195 281 S CB -0.142 62.892 63.200 -0.277 0.000 0.870 281 S HN 0.357 nan 8.310 nan 0.000 0.483 282 K N -0.657 119.683 120.400 -0.099 0.000 2.548 282 K HA 0.232 4.552 4.320 -0.001 0.000 0.209 282 K C 1.555 178.129 176.600 -0.042 0.000 1.420 282 K CA 0.322 56.582 56.287 -0.046 0.000 0.985 282 K CB -0.301 32.181 32.500 -0.029 0.000 1.249 282 K HN 0.226 nan 8.250 nan 0.000 0.557 283 V N 2.303 122.180 119.914 -0.063 0.000 2.407 283 V HA -0.100 4.020 4.120 -0.001 0.000 0.245 283 V C 2.351 178.341 176.094 -0.174 0.000 1.041 283 V CA 1.311 63.554 62.300 -0.095 0.000 1.040 283 V CB -0.466 31.328 31.823 -0.048 0.000 0.671 283 V HN 0.103 nan 8.190 nan 0.000 0.455 284 L N 0.416 121.535 121.223 -0.173 0.000 2.187 284 L HA -0.165 4.175 4.340 -0.001 0.000 0.213 284 L C 2.690 179.458 176.870 -0.169 0.000 1.100 284 L CA 1.353 56.075 54.840 -0.196 0.000 0.765 284 L CB -0.769 41.201 42.059 -0.149 0.000 0.904 284 L HN 0.370 nan 8.230 nan 0.000 0.437 285 A N -0.374 122.367 122.820 -0.132 0.000 1.978 285 A HA -0.138 4.182 4.320 -0.001 0.000 0.220 285 A C 2.253 179.691 177.584 -0.244 0.000 1.170 285 A CA 1.928 53.898 52.037 -0.112 0.000 0.636 285 A CB -0.562 18.437 19.000 -0.002 0.000 0.810 285 A HN 0.247 nan 8.150 nan 0.000 0.448 286 V N -1.325 118.407 119.914 -0.303 0.000 2.500 286 V HA -0.093 4.027 4.120 -0.001 0.000 0.243 286 V C 2.630 178.541 176.094 -0.304 0.000 1.039 286 V CA 1.774 63.812 62.300 -0.435 0.000 1.053 286 V CB -0.599 31.002 31.823 -0.370 0.000 0.695 286 V HN 0.601 nan 8.190 nan 0.000 0.463 287 S N -0.033 115.509 115.700 -0.264 0.000 2.383 287 S HA -0.254 4.216 4.470 -0.001 0.000 0.229 287 S C 2.221 176.706 174.600 -0.191 0.000 1.030 287 S CA 1.928 59.980 58.200 -0.247 0.000 1.002 287 S CB -0.281 62.719 63.200 -0.334 0.000 0.829 287 S HN 0.511 nan 8.310 nan 0.000 0.467 288 R N -0.027 120.366 120.500 -0.177 0.000 2.090 288 R HA 0.010 4.350 4.340 -0.001 0.000 0.228 288 R C 2.114 178.351 176.300 -0.105 0.000 1.110 288 R CA 1.335 57.352 56.100 -0.137 0.000 0.973 288 R CB -0.282 29.948 30.300 -0.117 0.000 0.869 288 R HN 0.363 nan 8.270 nan 0.000 0.440 289 V N 0.723 120.563 119.914 -0.123 0.000 2.358 289 V HA -0.247 3.872 4.120 -0.001 0.000 0.246 289 V C 2.236 178.354 176.094 0.040 0.000 1.047 289 V CA 1.578 63.843 62.300 -0.059 0.000 1.035 289 V CB -0.298 31.425 31.823 -0.167 0.000 0.658 289 V HN 0.317 nan 8.190 nan 0.000 0.452 290 M N -0.588 118.978 119.600 -0.056 0.000 2.156 290 M HA -0.058 4.421 4.480 -0.001 0.000 0.264 290 M C 1.982 178.312 176.300 0.049 0.000 1.067 290 M CA 1.510 56.797 55.300 -0.022 0.000 1.131 290 M CB -0.407 32.131 32.600 -0.103 0.000 1.368 290 M HN 0.132 nan 8.290 nan 0.000 0.416 291 V N -0.016 119.885 119.914 -0.021 0.000 2.407 291 V HA -0.253 3.867 4.120 -0.001 0.000 0.248 291 V C 2.425 178.505 176.094 -0.024 0.000 1.055 291 V CA 1.743 64.011 62.300 -0.052 0.000 1.049 291 V CB -1.387 30.324 31.823 -0.186 0.000 0.662 291 V HN 0.570 nan 8.190 nan 0.000 0.455 292 A N -1.522 121.293 122.820 -0.009 0.000 2.076 292 A HA -0.256 4.064 4.320 -0.001 0.000 0.220 292 A C 1.833 179.391 177.584 -0.043 0.000 1.160 292 A CA 1.738 53.757 52.037 -0.030 0.000 0.653 292 A CB -0.768 18.212 19.000 -0.034 0.000 0.801 292 A HN 0.715 nan 8.150 nan 0.000 0.455 293 W N -0.171 121.088 121.300 -0.069 0.000 3.003 293 W HA 0.092 4.752 4.660 -0.001 0.000 0.257 293 W C 2.384 178.897 176.519 -0.010 0.000 1.308 293 W CA 0.721 58.033 57.345 -0.054 0.000 1.529 293 W CB 0.048 29.462 29.460 -0.077 0.000 1.115 293 W HN 0.440 nan 8.180 nan 0.000 0.659 294 Q N 0.313 120.215 119.800 0.170 0.000 2.020 294 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 294 Q C -0.416 175.647 176.000 0.105 0.000 0.982 294 Q CA 1.670 57.556 55.803 0.140 0.000 0.838 294 Q CB -1.583 27.227 28.738 0.119 0.000 0.899 294 Q HN 0.135 nan 8.270 nan 0.000 0.423 295 P HA -0.160 nan 4.420 nan 0.000 0.216 295 P C 1.075 178.394 177.300 0.033 0.000 1.150 295 P CA 1.184 64.307 63.100 0.038 0.000 0.837 295 P CB -0.102 31.600 31.700 0.003 0.000 0.786 296 I N -0.714 119.843 120.570 -0.023 0.000 2.151 296 I HA -0.247 3.923 4.170 -0.001 0.000 0.243 296 I C 2.508 178.689 176.117 0.108 0.000 1.080 296 I CA 2.027 63.301 61.300 -0.043 0.000 1.339 296 I CB -1.370 36.431 38.000 -0.333 0.000 1.039 296 I HN 0.027 nan 8.210 nan 0.000 0.409 297 G N 1.143 110.044 108.800 0.169 0.000 2.434 297 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.214 297 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.214 297 G C 1.673 176.681 174.900 0.180 0.000 1.202 297 G CA 0.741 45.967 45.100 0.210 0.000 0.788 297 G HN 0.307 nan 8.290 nan 0.000 0.539 298 I N 1.162 121.823 120.570 0.151 0.000 2.113 298 I HA -0.254 3.916 4.170 -0.001 0.000 0.242 298 I C 3.076 179.280 176.117 0.146 0.000 1.064 298 I CA 1.580 62.966 61.300 0.143 0.000 1.320 298 I CB -0.320 37.751 38.000 0.118 0.000 1.028 298 I HN 0.105 nan 8.210 nan 0.000 0.406 299 S N 0.287 116.062 115.700 0.125 0.000 2.383 299 S HA -0.178 4.291 4.470 -0.001 0.000 0.229 299 S C 1.998 176.697 174.600 0.165 0.000 1.030 299 S CA 1.412 59.686 58.200 0.122 0.000 1.002 299 S CB -0.278 62.972 63.200 0.083 0.000 0.829 299 S HN 0.345 nan 8.310 nan 0.000 0.467 300 M N 0.927 120.634 119.600 0.179 0.000 2.080 300 M HA -0.101 4.379 4.480 -0.001 0.000 0.260 300 M C 2.566 179.019 176.300 0.256 0.000 1.068 300 M CA 1.691 57.119 55.300 0.213 0.000 1.109 300 M CB -1.105 31.631 32.600 0.225 0.000 1.342 300 M HN 0.489 nan 8.290 nan 0.000 0.405 301 G N 0.655 109.611 108.800 0.259 0.000 2.446 301 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.217 301 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.217 301 G C 1.443 176.443 174.900 0.166 0.000 1.168 301 G CA 0.830 46.105 45.100 0.291 0.000 0.771 301 G HN 0.411 nan 8.290 nan 0.000 0.551 302 I N -0.719 119.941 120.570 0.151 0.000 2.194 302 I HA -0.236 3.934 4.170 -0.001 0.000 0.246 302 I C 2.456 178.628 176.117 0.091 0.000 1.093 302 I CA 1.450 62.806 61.300 0.094 0.000 1.355 302 I CB -0.284 37.775 38.000 0.098 0.000 1.046 302 I HN 0.265 nan 8.210 nan 0.000 0.413 303 Y N 1.920 122.246 120.300 0.043 0.000 2.133 303 Y HA -0.289 4.261 4.550 -0.001 0.000 0.287 303 Y C 2.334 178.266 175.900 0.053 0.000 1.134 303 Y CA 1.794 59.919 58.100 0.040 0.000 1.133 303 Y CB -0.284 38.197 38.460 0.035 0.000 0.987 303 Y HN 0.163 nan 8.280 nan 0.000 0.502 304 D N 0.027 120.551 120.400 0.206 0.000 2.149 304 D HA -0.251 4.388 4.640 -0.001 0.000 0.194 304 D C 2.065 178.344 176.300 -0.034 0.000 1.001 304 D CA 1.871 55.935 54.000 0.107 0.000 0.849 304 D CB -0.348 40.532 40.800 0.133 0.000 0.939 304 D HN 0.393 nan 8.370 nan 0.000 0.449 305 M N 0.281 119.826 119.600 -0.093 0.000 2.099 305 M HA -0.083 4.397 4.480 -0.001 0.000 0.262 305 M C 2.207 178.476 176.300 -0.052 0.000 1.067 305 M CA 1.188 56.425 55.300 -0.106 0.000 1.124 305 M CB -0.641 31.882 32.600 -0.127 0.000 1.353 305 M HN 0.027 nan 8.290 nan 0.000 0.410 306 C N -0.504 118.727 119.300 -0.115 0.000 2.429 306 C HA -0.168 4.292 4.460 -0.001 0.000 0.277 306 C C 2.737 177.640 174.990 -0.146 0.000 1.262 306 C CA 1.456 60.392 59.018 -0.138 0.000 1.733 306 C CB -1.545 26.075 27.740 -0.200 0.000 2.010 306 C HN 0.731 nan 8.230 nan 0.000 0.483 307 H N 0.915 119.752 119.070 -0.388 0.000 2.352 307 H HA -0.148 4.407 4.556 -0.001 0.000 0.299 307 H C 2.512 177.767 175.328 -0.123 0.000 1.097 307 H CA 2.214 58.062 56.048 -0.335 0.000 1.311 307 H CB -0.243 29.275 29.762 -0.407 0.000 1.377 307 H HN 0.339 nan 8.280 nan 0.000 0.504 308 R N -0.917 119.549 120.500 -0.057 0.000 2.066 308 R HA -0.179 4.161 4.340 -0.001 0.000 0.232 308 R C 2.088 178.367 176.300 -0.034 0.000 1.131 308 R CA 1.613 57.684 56.100 -0.049 0.000 0.955 308 R CB -0.795 29.521 30.300 0.027 0.000 0.851 308 R HN 0.476 nan 8.270 nan 0.000 0.432 309 Y N 1.509 121.759 120.300 -0.084 0.000 2.128 309 Y HA -0.196 4.354 4.550 -0.001 0.000 0.284 309 Y C 2.107 177.965 175.900 -0.070 0.000 1.154 309 Y CA 1.905 59.972 58.100 -0.054 0.000 1.149 309 Y CB -0.210 38.204 38.460 -0.077 0.000 0.976 309 Y HN 0.058 nan 8.280 nan 0.000 0.505 310 L N 0.025 121.296 121.223 0.079 0.000 2.362 310 L HA -0.186 4.154 4.340 -0.001 0.000 0.219 310 L C 2.313 179.141 176.870 -0.070 0.000 1.134 310 L CA 1.379 56.230 54.840 0.019 0.000 0.807 310 L CB -0.365 41.689 42.059 -0.009 0.000 0.927 310 L HN 0.159 nan 8.230 nan 0.000 0.447 311 K N -0.301 120.013 120.400 -0.143 0.000 2.323 311 K HA -0.017 4.303 4.320 -0.001 0.000 0.197 311 K C 1.718 178.246 176.600 -0.121 0.000 1.043 311 K CA 0.334 56.530 56.287 -0.151 0.000 0.997 311 K CB 0.425 32.786 32.500 -0.231 0.000 0.807 311 K HN 0.284 nan 8.250 nan 0.000 0.497 312 E N -0.079 120.034 120.200 -0.146 0.000 2.099 312 E HA 0.006 4.356 4.350 -0.001 0.000 0.191 312 E C 0.374 176.864 176.600 -0.184 0.000 0.962 312 E CA 0.000 56.311 56.400 -0.149 0.000 0.826 312 E CB 0.315 29.929 29.700 -0.143 0.000 0.788 312 E HN -0.060 nan 8.360 nan 0.000 0.461 313 R N 2.466 122.792 120.500 -0.291 0.000 2.401 313 R HA 0.102 4.441 4.340 -0.001 0.000 0.299 313 R C -0.785 175.462 176.300 -0.089 0.000 1.064 313 R CA 0.495 56.445 56.100 -0.250 0.000 1.000 313 R CB 0.248 30.299 30.300 -0.414 0.000 0.973 313 R HN 0.007 nan 8.270 nan 0.000 0.438 314 K N 3.277 123.638 120.400 -0.064 0.000 2.221 314 K HA 0.283 4.602 4.320 -0.001 0.000 0.258 314 K C -0.637 175.982 176.600 0.031 0.000 0.944 314 K CA -0.754 55.538 56.287 0.007 0.000 0.823 314 K CB 1.819 34.306 32.500 -0.022 0.000 1.113 314 K HN 0.323 nan 8.250 nan 0.000 0.431 315 Q N 1.388 121.273 119.800 0.142 0.000 2.340 315 Q HA 0.335 4.675 4.340 -0.001 0.000 0.276 315 Q C -1.254 174.961 176.000 0.359 0.000 1.048 315 Q CA -0.471 55.403 55.803 0.119 0.000 0.832 315 Q CB 0.894 29.692 28.738 0.100 0.000 1.373 315 Q HN 0.588 nan 8.270 nan 0.000 0.409 316 F N 1.746 121.746 119.950 0.084 0.000 3.057 316 F HA -0.203 4.324 4.527 -0.001 0.000 0.287 316 F C 1.059 176.939 175.800 0.132 0.000 0.834 316 F CA 1.341 59.418 58.000 0.128 0.000 1.147 316 F CB -1.511 37.615 39.000 0.211 0.000 1.245 316 F HN 0.902 nan 8.300 nan 0.000 0.509 317 G N -0.651 108.256 108.800 0.179 0.000 2.198 317 G HA2 0.259 4.219 3.960 -0.001 0.000 0.257 317 G HA3 0.259 4.219 3.960 -0.001 0.000 0.257 317 G C -0.035 174.919 174.900 0.089 0.000 1.042 317 G CA 0.198 45.358 45.100 0.100 0.000 0.791 317 G HN 1.843 nan 8.290 nan 0.000 0.502 318 A N -1.073 121.828 122.820 0.136 0.000 2.605 318 A HA 0.860 5.180 4.320 -0.001 0.000 0.294 318 A C -3.036 174.619 177.584 0.118 0.000 1.062 318 A CA -1.017 51.047 52.037 0.045 0.000 0.682 318 A CB 1.458 20.377 19.000 -0.134 0.000 1.278 318 A HN 0.117 nan 8.150 nan 0.000 0.410 319 P HA 0.232 nan 4.420 nan 0.000 0.269 319 P C 0.957 178.361 177.300 0.172 0.000 1.209 319 P CA -0.177 62.954 63.100 0.052 0.000 0.776 319 P CB 0.429 32.113 31.700 -0.026 0.000 0.876 320 L N 2.031 123.383 121.223 0.213 0.000 2.129 320 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 320 L C 2.138 179.182 176.870 0.290 0.000 1.087 320 L CA 1.875 56.914 54.840 0.332 0.000 0.757 320 L CB -0.954 41.205 42.059 0.166 0.000 0.896 320 L HN 0.427 nan 8.230 nan 0.000 0.434 321 A N -0.243 122.636 122.820 0.099 0.000 2.248 321 A HA 0.107 4.427 4.320 -0.001 0.000 0.210 321 A C 2.265 179.844 177.584 -0.008 0.000 1.174 321 A CA 1.210 53.262 52.037 0.025 0.000 0.750 321 A CB -0.433 18.530 19.000 -0.062 0.000 0.780 321 A HN 0.400 nan 8.150 nan 0.000 0.478 322 A N -1.147 121.634 122.820 -0.065 0.000 2.195 322 A HA 0.475 4.795 4.320 -0.001 0.000 0.210 322 A C 0.276 177.665 177.584 -0.326 0.000 1.165 322 A CA -0.160 51.726 52.037 -0.251 0.000 0.806 322 A CB -0.140 18.614 19.000 -0.410 0.000 0.847 322 A HN 0.337 nan 8.150 nan 0.000 0.482 323 F N 0.417 120.348 119.950 -0.031 0.000 2.394 323 F HA 0.277 4.804 4.527 -0.001 0.000 0.340 323 F C 1.548 177.325 175.800 -0.038 0.000 1.105 323 F CA -0.422 57.552 58.000 -0.044 0.000 1.124 323 F CB 0.909 39.876 39.000 -0.056 0.000 1.145 323 F HN 0.153 nan 8.300 nan 0.000 0.505 324 Q N 1.668 121.540 119.800 0.120 0.000 2.062 324 Q HA -0.226 4.114 4.340 -0.001 0.000 0.209 324 Q C 2.079 178.114 176.000 0.058 0.000 0.996 324 Q CA 1.833 57.671 55.803 0.059 0.000 0.859 324 Q CB -0.269 28.490 28.738 0.035 0.000 0.920 324 Q HN 0.690 nan 8.270 nan 0.000 0.415 325 L N 0.690 121.950 121.223 0.061 0.000 2.042 325 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 325 L C 1.844 178.731 176.870 0.029 0.000 1.076 325 L CA 1.682 56.538 54.840 0.026 0.000 0.749 325 L CB -0.433 41.623 42.059 -0.005 0.000 0.893 325 L HN 0.267 nan 8.230 nan 0.000 0.432 326 N N -1.523 117.213 118.700 0.059 0.000 2.244 326 N HA -0.175 4.565 4.740 -0.001 0.000 0.183 326 N C 1.808 177.343 175.510 0.043 0.000 1.016 326 N CA 0.614 53.694 53.050 0.050 0.000 0.866 326 N CB -0.005 38.536 38.487 0.091 0.000 0.980 326 N HN 0.456 nan 8.380 nan 0.000 0.430 327 Q N 0.774 120.605 119.800 0.051 0.000 2.046 327 Q HA -0.184 4.156 4.340 -0.001 0.000 0.200 327 Q C 2.047 178.067 176.000 0.034 0.000 0.975 327 Q CA 1.034 56.860 55.803 0.037 0.000 0.836 327 Q CB -0.101 28.654 28.738 0.029 0.000 0.896 327 Q HN 0.433 nan 8.270 nan 0.000 0.428 328 Q N 0.696 120.513 119.800 0.029 0.000 2.135 328 Q HA -0.188 4.152 4.340 -0.001 0.000 0.204 328 Q C 1.810 177.824 176.000 0.024 0.000 0.981 328 Q CA 1.106 56.923 55.803 0.024 0.000 0.856 328 Q CB 0.209 28.958 28.738 0.018 0.000 0.902 328 Q HN 0.180 nan 8.270 nan 0.000 0.425 329 K N 0.304 120.715 120.400 0.019 0.000 2.057 329 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 329 K C 2.157 178.779 176.600 0.037 0.000 1.050 329 K CA 0.666 56.962 56.287 0.014 0.000 0.935 329 K CB -0.359 32.138 32.500 -0.004 0.000 0.715 329 K HN 0.203 nan 8.250 nan 0.000 0.439 330 L N 1.416 122.668 121.223 0.047 0.000 2.056 330 L HA -0.136 4.203 4.340 -0.001 0.000 0.207 330 L C 2.255 179.227 176.870 0.171 0.000 1.078 330 L CA 1.235 56.132 54.840 0.095 0.000 0.749 330 L CB -0.393 41.700 42.059 0.056 0.000 0.901 330 L HN 0.032 nan 8.230 nan 0.000 0.433 331 V N -3.572 116.395 119.914 0.089 0.000 2.667 331 V HA -0.194 3.926 4.120 -0.001 0.000 0.252 331 V C 2.185 178.294 176.094 0.025 0.000 1.065 331 V CA 1.391 63.716 62.300 0.042 0.000 1.083 331 V CB -0.962 30.869 31.823 0.013 0.000 0.692 331 V HN 0.558 nan 8.190 nan 0.000 0.468 332 Q N -0.249 119.573 119.800 0.037 0.000 2.119 332 Q HA -0.086 4.254 4.340 -0.001 0.000 0.201 332 Q C 2.287 178.304 176.000 0.028 0.000 0.972 332 Q CA 2.213 58.031 55.803 0.026 0.000 0.847 332 Q CB -0.251 28.500 28.738 0.021 0.000 0.903 332 Q HN 0.652 nan 8.270 nan 0.000 0.433 333 M N -0.259 119.381 119.600 0.067 0.000 2.099 333 M HA -0.170 4.310 4.480 -0.001 0.000 0.262 333 M C 2.113 178.424 176.300 0.019 0.000 1.067 333 M CA 1.013 56.372 55.300 0.098 0.000 1.124 333 M CB -0.257 32.475 32.600 0.220 0.000 1.353 333 M HN 0.212 nan 8.290 nan 0.000 0.410 334 L N 0.562 121.756 121.223 -0.048 0.000 2.042 334 L HA -0.077 4.262 4.340 -0.001 0.000 0.210 334 L C 2.313 179.045 176.870 -0.229 0.000 1.076 334 L CA 2.081 56.699 54.840 -0.371 0.000 0.749 334 L CB -1.180 40.620 42.059 -0.432 0.000 0.893 334 L HN 0.274 nan 8.230 nan 0.000 0.432 335 G N -1.157 107.575 108.800 -0.114 0.000 2.404 335 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.215 335 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.215 335 G C 1.456 176.345 174.900 -0.017 0.000 1.174 335 G CA 0.862 45.922 45.100 -0.067 0.000 0.780 335 G HN 0.551 nan 8.290 nan 0.000 0.537 336 N N -0.085 118.615 118.700 -0.001 0.000 2.149 336 N HA -0.120 4.620 4.740 -0.001 0.000 0.188 336 N C 2.227 177.758 175.510 0.035 0.000 1.019 336 N CA 0.958 54.019 53.050 0.019 0.000 0.857 336 N CB -0.054 38.420 38.487 -0.021 0.000 0.997 336 N HN 0.180 nan 8.380 nan 0.000 0.426 337 V N 1.631 121.544 119.914 -0.002 0.000 2.270 337 V HA -0.209 3.910 4.120 -0.001 0.000 0.245 337 V C 2.294 178.445 176.094 0.096 0.000 1.043 337 V CA 1.470 63.785 62.300 0.026 0.000 1.014 337 V CB -0.479 31.321 31.823 -0.038 0.000 0.645 337 V HN 0.308 nan 8.190 nan 0.000 0.447 338 Q N 0.239 120.068 119.800 0.048 0.000 2.096 338 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 338 Q C 2.370 178.502 176.000 0.221 0.000 0.982 338 Q CA 2.141 58.042 55.803 0.163 0.000 0.850 338 Q CB -0.987 27.536 28.738 -0.359 0.000 0.901 338 Q HN 0.649 nan 8.270 nan 0.000 0.422 339 A N 0.701 123.619 122.820 0.164 0.000 1.873 339 A HA -0.126 4.194 4.320 -0.001 0.000 0.215 339 A C 2.244 179.971 177.584 0.238 0.000 1.186 339 A CA 1.466 53.637 52.037 0.223 0.000 0.616 339 A CB -0.541 18.652 19.000 0.322 0.000 0.823 339 A HN 0.299 nan 8.150 nan 0.000 0.442 340 M N -2.065 117.692 119.600 0.261 0.000 2.108 340 M HA -0.149 4.331 4.480 -0.001 0.000 0.261 340 M C 2.120 178.375 176.300 -0.075 0.000 1.066 340 M CA 1.932 57.337 55.300 0.175 0.000 1.107 340 M CB -0.403 32.242 32.600 0.076 0.000 1.356 340 M HN 0.586 nan 8.290 nan 0.000 0.406 341 F N 1.052 120.850 119.950 -0.254 0.000 2.060 341 F HA -0.206 4.321 4.527 -0.000 0.000 0.295 341 F C 1.947 177.526 175.800 -0.368 0.000 1.120 341 F CA 1.576 59.260 58.000 -0.526 0.000 1.205 341 F CB -0.226 38.231 39.000 -0.904 0.000 0.986 341 F HN -0.058 nan 8.300 nan 0.000 0.470 342 L N -0.498 120.779 121.223 0.089 0.000 2.081 342 L HA -0.282 4.057 4.340 -0.001 0.000 0.212 342 L C 2.455 179.416 176.870 0.153 0.000 1.080 342 L CA 1.434 56.401 54.840 0.211 0.000 0.754 342 L CB -0.653 41.555 42.059 0.248 0.000 0.893 342 L HN 0.316 nan 8.230 nan 0.000 0.433 343 M N 0.125 119.717 119.600 -0.014 0.000 2.067 343 M HA -0.100 4.379 4.480 -0.001 0.000 0.260 343 M C 2.111 178.324 176.300 -0.145 0.000 1.069 343 M CA 2.119 57.364 55.300 -0.092 0.000 1.117 343 M CB -0.907 31.623 32.600 -0.116 0.000 1.334 343 M HN 0.160 nan 8.290 nan 0.000 0.407 344 G N -1.675 106.906 108.800 -0.366 0.000 2.408 344 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.217 344 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.217 344 G C 1.315 176.225 174.900 0.017 0.000 1.150 344 G CA 0.803 45.577 45.100 -0.543 0.000 0.776 344 G HN 0.685 nan 8.290 nan 0.000 0.542 345 W N 1.648 122.828 121.300 -0.200 0.000 2.355 345 W HA -0.091 4.569 4.660 -0.000 0.000 0.309 345 W C 2.633 179.188 176.519 0.060 0.000 1.206 345 W CA 1.734 59.112 57.345 0.055 0.000 1.284 345 W CB -0.110 29.305 29.460 -0.076 0.000 1.145 345 W HN 0.140 nan 8.180 nan 0.000 0.502 346 R N 0.702 121.143 120.500 -0.098 0.000 2.081 346 R HA -0.180 4.160 4.340 -0.001 0.000 0.235 346 R C 2.157 178.298 176.300 -0.266 0.000 1.131 346 R CA 2.048 57.935 56.100 -0.354 0.000 0.960 346 R CB -1.379 28.886 30.300 -0.059 0.000 0.856 346 R HN 0.377 nan 8.270 nan 0.000 0.436 347 L N -0.190 120.962 121.223 -0.117 0.000 2.042 347 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 347 L C 2.132 178.977 176.870 -0.041 0.000 1.076 347 L CA 1.842 56.648 54.840 -0.057 0.000 0.749 347 L CB -0.610 41.445 42.059 -0.007 0.000 0.893 347 L HN 0.326 nan 8.230 nan 0.000 0.432 348 C N -0.578 118.699 119.300 -0.038 0.000 2.432 348 C HA -0.123 4.337 4.460 -0.001 0.000 0.277 348 C C 2.550 177.464 174.990 -0.126 0.000 1.249 348 C CA 0.427 59.408 59.018 -0.063 0.000 1.725 348 C CB -0.970 26.711 27.740 -0.098 0.000 2.028 348 C HN 0.421 nan 8.230 nan 0.000 0.477 349 K N 0.836 121.043 120.400 -0.323 0.000 2.442 349 K HA 0.058 4.377 4.320 -0.001 0.000 0.198 349 K C 1.662 178.137 176.600 -0.209 0.000 1.042 349 K CA 0.804 56.887 56.287 -0.340 0.000 0.958 349 K CB -0.407 31.711 32.500 -0.636 0.000 0.766 349 K HN 0.562 nan 8.250 nan 0.000 0.474 350 L N -0.986 120.146 121.223 -0.151 0.000 2.127 350 L HA -0.091 4.248 4.340 -0.001 0.000 0.203 350 L C 2.333 179.180 176.870 -0.038 0.000 1.080 350 L CA 0.706 55.493 54.840 -0.089 0.000 0.768 350 L CB -0.383 41.635 42.059 -0.069 0.000 0.924 350 L HN 0.033 nan 8.230 nan 0.000 0.444 351 Y N 0.881 121.111 120.300 -0.116 0.000 2.242 351 Y HA -0.242 4.308 4.550 -0.001 0.000 0.291 351 Y C 2.506 178.350 175.900 -0.094 0.000 1.137 351 Y CA 1.679 59.722 58.100 -0.096 0.000 1.181 351 Y CB 0.059 38.464 38.460 -0.091 0.000 0.989 351 Y HN 0.163 nan 8.280 nan 0.000 0.527 352 E N -0.836 119.324 120.200 -0.067 0.000 2.072 352 E HA -0.172 4.178 4.350 -0.001 0.000 0.191 352 E C 1.925 178.428 176.600 -0.161 0.000 0.985 352 E CA 1.851 58.180 56.400 -0.118 0.000 0.801 352 E CB -0.067 29.591 29.700 -0.070 0.000 0.750 352 E HN 0.602 nan 8.360 nan 0.000 0.452 353 T N -3.011 111.458 114.554 -0.141 0.000 3.118 353 T HA 0.116 4.466 4.350 -0.001 0.000 0.260 353 T C 1.473 176.086 174.700 -0.146 0.000 1.139 353 T CA 0.524 62.549 62.100 -0.124 0.000 1.085 353 T CB 0.228 69.035 68.868 -0.101 0.000 0.934 353 T HN 0.303 nan 8.240 nan 0.000 0.518 354 G N 2.220 110.895 108.800 -0.208 0.000 2.143 354 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.248 354 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.248 354 G C 0.484 175.294 174.900 -0.150 0.000 0.991 354 G CA 0.395 45.356 45.100 -0.233 0.000 0.689 354 G HN 0.807 nan 8.290 nan 0.000 0.522 355 Q N -1.062 118.670 119.800 -0.113 0.000 2.198 355 Q HA 0.538 4.877 4.340 -0.001 0.000 0.209 355 Q C 1.077 177.044 176.000 -0.055 0.000 0.848 355 Q CA -0.433 55.324 55.803 -0.077 0.000 0.974 355 Q CB 0.495 29.193 28.738 -0.067 0.000 1.115 355 Q HN 0.559 nan 8.270 nan 0.000 0.494 356 M N 2.830 122.404 119.600 -0.044 0.000 2.217 356 M HA 0.206 4.686 4.480 -0.001 0.000 0.354 356 M C -0.720 175.581 176.300 0.001 0.000 1.225 356 M CA 0.291 55.590 55.300 -0.003 0.000 1.137 356 M CB 1.142 33.784 32.600 0.070 0.000 1.576 356 M HN 0.288 nan 8.290 nan 0.000 0.461 357 T N 2.064 116.613 114.554 -0.008 0.000 2.885 357 T HA 0.500 4.849 4.350 -0.001 0.000 0.285 357 T C -2.280 172.413 174.700 -0.013 0.000 1.019 357 T CA -1.781 60.311 62.100 -0.013 0.000 1.010 357 T CB 1.376 70.232 68.868 -0.021 0.000 1.022 357 T HN 0.428 nan 8.240 nan 0.000 0.466 358 P HA -0.168 nan 4.420 nan 0.000 0.220 358 P C 1.779 179.067 177.300 -0.020 0.000 1.155 358 P CA 1.799 64.886 63.100 -0.023 0.000 0.880 358 P CB -0.337 31.347 31.700 -0.027 0.000 0.790 359 G N -0.820 107.971 108.800 -0.016 0.000 2.408 359 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 359 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 359 G C 1.538 176.422 174.900 -0.027 0.000 1.150 359 G CA 0.536 45.627 45.100 -0.015 0.000 0.776 359 G HN 0.318 nan 8.290 nan 0.000 0.542 360 Q N 0.123 119.905 119.800 -0.030 0.000 2.079 360 Q HA 0.038 4.378 4.340 -0.001 0.000 0.200 360 Q C 3.002 178.979 176.000 -0.040 0.000 0.974 360 Q CA 1.269 57.050 55.803 -0.038 0.000 0.840 360 Q CB -0.234 28.482 28.738 -0.036 0.000 0.898 360 Q HN 0.469 nan 8.270 nan 0.000 0.430 361 A N 0.240 123.040 122.820 -0.034 0.000 1.930 361 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 361 A C 2.225 179.781 177.584 -0.048 0.000 1.175 361 A CA 1.550 53.562 52.037 -0.040 0.000 0.627 361 A CB -0.400 18.574 19.000 -0.044 0.000 0.815 361 A HN 0.224 nan 8.150 nan 0.000 0.443 362 S N -0.618 115.055 115.700 -0.046 0.000 2.402 362 S HA -0.093 4.376 4.470 -0.001 0.000 0.229 362 S C 1.810 176.371 174.600 -0.066 0.000 1.021 362 S CA 1.270 59.436 58.200 -0.056 0.000 0.974 362 S CB -0.313 62.864 63.200 -0.037 0.000 0.800 362 S HN 0.479 nan 8.310 nan 0.000 0.484 363 L N 2.089 123.282 121.223 -0.050 0.000 2.056 363 L HA 0.085 4.425 4.340 -0.001 0.000 0.207 363 L C 2.204 179.079 176.870 0.009 0.000 1.078 363 L CA 1.829 56.648 54.840 -0.034 0.000 0.749 363 L CB -1.359 40.673 42.059 -0.045 0.000 0.901 363 L HN 0.278 nan 8.230 nan 0.000 0.433 364 G N -0.446 108.345 108.800 -0.016 0.000 2.545 364 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.217 364 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.217 364 G C 1.702 176.617 174.900 0.024 0.000 1.218 364 G CA 0.939 46.037 45.100 -0.004 0.000 0.787 364 G HN 0.315 nan 8.290 nan 0.000 0.571 365 K N 1.221 121.606 120.400 -0.025 0.000 2.032 365 K HA -0.072 4.248 4.320 -0.001 0.000 0.209 365 K C 2.826 179.410 176.600 -0.026 0.000 1.048 365 K CA 1.684 57.941 56.287 -0.049 0.000 0.927 365 K CB -0.778 31.665 32.500 -0.094 0.000 0.712 365 K HN 0.203 nan 8.250 nan 0.000 0.441 366 A N 0.396 123.193 122.820 -0.039 0.000 1.851 366 A HA -0.216 4.104 4.320 -0.001 0.000 0.216 366 A C 2.174 179.867 177.584 0.182 0.000 1.195 366 A CA 1.772 53.783 52.037 -0.043 0.000 0.622 366 A CB -1.338 17.484 19.000 -0.297 0.000 0.831 366 A HN 0.657 nan 8.150 nan 0.000 0.444 367 W N 0.415 121.725 121.300 0.018 0.000 2.354 367 W HA -0.176 4.483 4.660 -0.001 0.000 0.315 367 W C 1.958 178.506 176.519 0.050 0.000 1.206 367 W CA 2.126 59.513 57.345 0.071 0.000 1.290 367 W CB -0.296 29.171 29.460 0.013 0.000 1.152 367 W HN 0.325 nan 8.180 nan 0.000 0.489 368 I N 0.603 121.338 120.570 0.275 0.000 2.163 368 I HA -0.398 3.771 4.170 -0.001 0.000 0.243 368 I C 2.768 178.857 176.117 -0.046 0.000 1.085 368 I CA 1.939 63.295 61.300 0.094 0.000 1.347 368 I CB -1.018 37.020 38.000 0.062 0.000 1.044 368 I HN 0.069 nan 8.210 nan 0.000 0.408 369 S N -0.587 115.109 115.700 -0.006 0.000 2.383 369 S HA -0.227 4.242 4.470 -0.001 0.000 0.229 369 S C 2.133 176.786 174.600 0.088 0.000 1.030 369 S CA 1.600 59.816 58.200 0.026 0.000 1.002 369 S CB -0.657 62.532 63.200 -0.019 0.000 0.829 369 S HN 0.441 nan 8.310 nan 0.000 0.467 370 S N 1.728 117.440 115.700 0.019 0.000 2.355 370 S HA -0.060 4.410 4.470 -0.001 0.000 0.222 370 S C 1.824 176.309 174.600 -0.192 0.000 1.031 370 S CA 1.028 59.208 58.200 -0.035 0.000 0.993 370 S CB -0.343 62.779 63.200 -0.129 0.000 0.859 370 S HN 0.465 nan 8.310 nan 0.000 0.453 371 K N 1.604 121.784 120.400 -0.366 0.000 2.228 371 K HA 0.262 4.582 4.320 -0.001 0.000 0.202 371 K C 2.191 178.681 176.600 -0.183 0.000 1.051 371 K CA 1.009 57.068 56.287 -0.380 0.000 0.960 371 K CB -1.134 30.969 32.500 -0.662 0.000 0.743 371 K HN 0.425 nan 8.250 nan 0.000 0.458 372 A N 1.844 124.593 122.820 -0.119 0.000 1.933 372 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 372 A C 2.244 179.815 177.584 -0.020 0.000 1.175 372 A CA 1.113 53.128 52.037 -0.037 0.000 0.628 372 A CB -0.284 18.714 19.000 -0.005 0.000 0.814 372 A HN 0.159 nan 8.150 nan 0.000 0.444 373 R N -0.359 120.114 120.500 -0.045 0.000 2.073 373 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 373 R C 2.105 178.381 176.300 -0.039 0.000 1.134 373 R CA 1.660 57.713 56.100 -0.078 0.000 0.952 373 R CB -0.454 29.724 30.300 -0.203 0.000 0.850 373 R HN 0.699 nan 8.270 nan 0.000 0.433 374 E N -0.392 119.765 120.200 -0.072 0.000 2.058 374 E HA -0.154 4.196 4.350 -0.001 0.000 0.194 374 E C 1.933 178.523 176.600 -0.016 0.000 0.997 374 E CA 1.854 58.221 56.400 -0.055 0.000 0.801 374 E CB -0.059 29.587 29.700 -0.091 0.000 0.746 374 E HN 0.335 nan 8.360 nan 0.000 0.450 375 T N 0.840 115.387 114.554 -0.013 0.000 2.746 375 T HA -0.147 4.202 4.350 -0.001 0.000 0.267 375 T C 1.978 176.709 174.700 0.052 0.000 1.039 375 T CA 1.226 63.339 62.100 0.022 0.000 1.142 375 T CB -0.200 68.685 68.868 0.028 0.000 0.866 375 T HN 0.238 nan 8.240 nan 0.000 0.444 376 A N 1.015 123.884 122.820 0.083 0.000 1.930 376 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 376 A C 2.566 180.261 177.584 0.184 0.000 1.175 376 A CA 1.917 54.053 52.037 0.166 0.000 0.627 376 A CB -0.981 18.156 19.000 0.230 0.000 0.815 376 A HN 0.442 nan 8.150 nan 0.000 0.443 377 S N -0.440 115.362 115.700 0.169 0.000 2.368 377 S HA -0.096 4.374 4.470 -0.001 0.000 0.225 377 S C 1.941 176.498 174.600 -0.073 0.000 1.030 377 S CA 1.445 59.686 58.200 0.069 0.000 0.999 377 S CB -0.475 62.779 63.200 0.089 0.000 0.844 377 S HN 0.492 nan 8.310 nan 0.000 0.459 378 L N 0.688 121.889 121.223 -0.036 0.000 2.027 378 L HA 0.043 4.382 4.340 -0.001 0.000 0.206 378 L C 2.918 179.739 176.870 -0.082 0.000 1.074 378 L CA 1.213 56.020 54.840 -0.054 0.000 0.745 378 L CB -1.218 40.829 42.059 -0.020 0.000 0.898 378 L HN 0.472 nan 8.230 nan 0.000 0.433 379 G N -0.361 108.402 108.800 -0.061 0.000 2.440 379 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.218 379 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.218 379 G C 1.802 176.597 174.900 -0.175 0.000 1.154 379 G CA 0.390 45.436 45.100 -0.089 0.000 0.767 379 G HN 0.142 nan 8.290 nan 0.000 0.552 380 R N 1.328 121.691 120.500 -0.228 0.000 2.081 380 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 380 R C 2.628 178.727 176.300 -0.334 0.000 1.131 380 R CA 1.857 57.738 56.100 -0.365 0.000 0.960 380 R CB -0.375 29.496 30.300 -0.715 0.000 0.856 380 R HN 0.715 nan 8.270 nan 0.000 0.436 381 E N -0.255 119.782 120.200 -0.272 0.000 2.285 381 E HA -0.098 4.252 4.350 -0.001 0.000 0.194 381 E C 2.112 178.601 176.600 -0.184 0.000 0.997 381 E CA 0.423 56.694 56.400 -0.216 0.000 0.845 381 E CB -0.326 29.273 29.700 -0.168 0.000 0.782 381 E HN 0.282 nan 8.360 nan 0.000 0.491 382 L N 0.191 121.306 121.223 -0.180 0.000 2.141 382 L HA -0.119 4.221 4.340 -0.001 0.000 0.209 382 L C 1.864 178.614 176.870 -0.200 0.000 1.094 382 L CA 0.592 55.343 54.840 -0.149 0.000 0.763 382 L CB -0.046 41.940 42.059 -0.122 0.000 0.908 382 L HN 0.213 nan 8.230 nan 0.000 0.437 383 L N -0.911 120.096 121.223 -0.360 0.000 2.558 383 L HA 0.155 4.494 4.340 -0.001 0.000 0.225 383 L C 1.611 178.223 176.870 -0.431 0.000 1.128 383 L CA 1.008 55.462 54.840 -0.643 0.000 0.868 383 L CB -0.665 40.813 42.059 -0.967 0.000 1.006 383 L HN 0.318 nan 8.230 nan 0.000 0.454 384 G N -0.128 108.507 108.800 -0.276 0.000 2.602 384 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.310 384 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.310 384 G C 1.155 175.922 174.900 -0.223 0.000 1.183 384 G CA 0.370 45.352 45.100 -0.197 0.000 0.979 384 G HN 0.422 nan 8.290 nan 0.000 0.545 385 G N 0.420 109.103 108.800 -0.196 0.000 2.453 385 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.215 385 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.215 385 G C 1.439 176.176 174.900 -0.272 0.000 1.201 385 G CA 1.484 46.471 45.100 -0.190 0.000 0.784 385 G HN 0.866 nan 8.290 nan 0.000 0.545 386 N N 0.986 119.418 118.700 -0.446 0.000 2.635 386 N HA 0.045 4.785 4.740 -0.001 0.000 0.191 386 N C 1.976 177.180 175.510 -0.511 0.000 1.155 386 N CA 0.390 53.077 53.050 -0.605 0.000 0.927 386 N CB -0.007 37.702 38.487 -1.297 0.000 0.976 386 N HN 0.345 nan 8.380 nan 0.000 0.448 387 G N 1.087 109.626 108.800 -0.435 0.000 2.598 387 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.215 387 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.215 387 G C 1.245 175.999 174.900 -0.244 0.000 1.131 387 G CA 0.192 45.076 45.100 -0.359 0.000 0.785 387 G HN 0.522 nan 8.290 nan 0.000 0.539 388 I N -2.520 117.943 120.570 -0.178 0.000 4.018 388 I HA 0.484 4.654 4.170 -0.001 0.000 0.337 388 I C -0.372 175.730 176.117 -0.025 0.000 1.327 388 I CA -0.532 60.715 61.300 -0.088 0.000 1.100 388 I CB 0.428 38.390 38.000 -0.062 0.000 1.025 388 I HN -0.238 nan 8.210 nan 0.000 0.396 389 L N 1.789 122.996 121.223 -0.027 0.000 2.275 389 L HA 0.556 4.895 4.340 -0.001 0.000 0.288 389 L C 1.399 178.293 176.870 0.040 0.000 1.046 389 L CA 0.090 54.963 54.840 0.054 0.000 0.805 389 L CB 1.654 43.804 42.059 0.151 0.000 1.193 389 L HN 0.181 nan 8.230 nan 0.000 0.426 390 A N 1.901 124.721 122.820 0.000 0.000 2.121 390 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 390 A C 1.617 179.150 177.584 -0.083 0.000 1.154 390 A CA 1.037 53.005 52.037 -0.115 0.000 0.679 390 A CB -0.414 18.517 19.000 -0.117 0.000 0.795 390 A HN 0.832 nan 8.150 nan 0.000 0.458 391 D N -0.842 119.532 120.400 -0.043 0.000 2.221 391 D HA -0.121 4.518 4.640 -0.001 0.000 0.204 391 D C 0.321 176.410 176.300 -0.353 0.000 0.982 391 D CA 1.161 55.051 54.000 -0.185 0.000 0.857 391 D CB -0.127 40.537 40.800 -0.226 0.000 0.934 391 D HN 0.575 nan 8.370 nan 0.000 0.475 392 F N -0.249 119.638 119.950 -0.105 0.000 2.684 392 F HA 0.159 4.686 4.527 -0.001 0.000 0.298 392 F C 1.374 177.083 175.800 -0.151 0.000 1.120 392 F CA -0.337 57.586 58.000 -0.128 0.000 1.332 392 F CB 0.354 39.239 39.000 -0.191 0.000 0.986 392 F HN -0.267 nan 8.300 nan 0.000 0.524 393 L N -1.408 119.796 121.223 -0.032 0.000 3.447 393 L HA -0.452 3.888 4.340 -0.001 0.000 0.337 393 L C 1.504 178.334 176.870 -0.067 0.000 4.145 393 L CA 2.320 57.127 54.840 -0.054 0.000 1.229 393 L CB -1.479 40.567 42.059 -0.022 0.000 3.307 393 L HN -0.014 nan 8.230 nan 0.000 0.751 394 V N 0.163 120.046 119.914 -0.050 0.000 2.278 394 V HA -0.363 3.757 4.120 -0.001 0.000 0.251 394 V C 2.779 178.856 176.094 -0.028 0.000 1.062 394 V CA 3.129 65.400 62.300 -0.050 0.000 1.038 394 V CB -1.647 30.108 31.823 -0.115 0.000 0.646 394 V HN 0.841 nan 8.190 nan 0.000 0.447 395 A N 0.011 122.788 122.820 -0.070 0.000 1.883 395 A HA -0.301 4.019 4.320 -0.001 0.000 0.217 395 A C 2.377 179.935 177.584 -0.044 0.000 1.186 395 A CA 2.403 54.422 52.037 -0.031 0.000 0.624 395 A CB -0.568 18.397 19.000 -0.058 0.000 0.822 395 A HN 0.590 nan 8.150 nan 0.000 0.444 396 K N -0.313 119.911 120.400 -0.293 0.000 2.026 396 K HA -0.102 4.217 4.320 -0.001 0.000 0.208 396 K C 2.102 178.516 176.600 -0.310 0.000 1.048 396 K CA 1.442 57.299 56.287 -0.717 0.000 0.929 396 K CB -0.375 31.524 32.500 -1.001 0.000 0.713 396 K HN 0.337 nan 8.250 nan 0.000 0.439 397 A N 0.594 123.339 122.820 -0.124 0.000 1.969 397 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 397 A C 1.954 179.589 177.584 0.085 0.000 1.169 397 A CA 1.082 53.126 52.037 0.011 0.000 0.635 397 A CB -0.745 18.283 19.000 0.047 0.000 0.810 397 A HN 0.558 nan 8.150 nan 0.000 0.445 398 F N 0.306 120.234 119.950 -0.037 0.000 2.102 398 F HA -0.232 4.294 4.527 -0.000 0.000 0.298 398 F C 2.364 178.182 175.800 0.031 0.000 1.105 398 F CA 1.749 59.740 58.000 -0.014 0.000 1.239 398 F CB -0.673 38.305 39.000 -0.038 0.000 0.991 398 F HN 0.284 nan 8.300 nan 0.000 0.474 399 C N 0.469 119.784 119.300 0.024 0.000 2.466 399 C HA -0.129 4.330 4.460 -0.001 0.000 0.278 399 C C 2.435 177.487 174.990 0.103 0.000 1.288 399 C CA 1.202 60.247 59.018 0.044 0.000 1.722 399 C CB -1.118 26.837 27.740 0.359 0.000 2.017 399 C HN 0.467 nan 8.230 nan 0.000 0.488 400 D N 0.512 121.020 120.400 0.179 0.000 2.221 400 D HA -0.111 4.529 4.640 -0.001 0.000 0.204 400 D C 1.902 178.286 176.300 0.141 0.000 0.982 400 D CA 0.823 54.954 54.000 0.218 0.000 0.857 400 D CB -0.347 40.573 40.800 0.199 0.000 0.934 400 D HN 0.432 nan 8.370 nan 0.000 0.475 401 L N 0.481 121.736 121.223 0.053 0.000 2.179 401 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 401 L C 2.112 178.998 176.870 0.027 0.000 1.096 401 L CA 0.811 55.675 54.840 0.040 0.000 0.779 401 L CB 0.092 42.146 42.059 -0.009 0.000 0.922 401 L HN -0.141 nan 8.230 nan 0.000 0.443 402 E N 0.327 120.492 120.200 -0.058 0.000 2.058 402 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 402 E C -0.485 176.148 176.600 0.055 0.000 0.997 402 E CA 1.697 58.053 56.400 -0.072 0.000 0.801 402 E CB -1.609 27.999 29.700 -0.154 0.000 0.746 402 E HN 0.501 nan 8.360 nan 0.000 0.450 403 P HA -0.078 nan 4.420 nan 0.000 0.217 403 P C 1.794 179.290 177.300 0.326 0.000 1.150 403 P CA 1.038 64.227 63.100 0.148 0.000 0.832 403 P CB -0.154 31.612 31.700 0.111 0.000 0.787 404 I N -1.646 119.111 120.570 0.313 0.000 2.286 404 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 404 I C 2.691 178.794 176.117 -0.024 0.000 1.115 404 I CA 1.422 62.794 61.300 0.121 0.000 1.392 404 I CB -0.912 37.165 38.000 0.128 0.000 1.065 404 I HN -0.133 nan 8.210 nan 0.000 0.418 405 Y N 1.521 121.792 120.300 -0.048 0.000 2.256 405 Y HA -0.289 4.261 4.550 -0.000 0.000 0.288 405 Y C 2.542 178.420 175.900 -0.037 0.000 1.155 405 Y CA 2.089 60.157 58.100 -0.053 0.000 1.203 405 Y CB -0.126 38.291 38.460 -0.071 0.000 0.980 405 Y HN 0.056 nan 8.280 nan 0.000 0.530 406 T N -0.836 113.780 114.554 0.103 0.000 3.004 406 T HA -0.001 4.349 4.350 -0.001 0.000 0.243 406 T C -0.212 174.482 174.700 -0.010 0.000 1.020 406 T CA 0.502 62.626 62.100 0.041 0.000 1.145 406 T CB -0.435 68.467 68.868 0.056 0.000 0.876 406 T HN 0.320 nan 8.240 nan 0.000 0.449 407 Y N 1.903 122.152 120.300 -0.085 0.000 2.314 407 Y HA 0.478 5.027 4.550 -0.001 0.000 0.334 407 Y C 0.539 176.410 175.900 -0.048 0.000 1.266 407 Y CA -1.019 57.027 58.100 -0.090 0.000 1.391 407 Y CB 0.292 38.688 38.460 -0.107 0.000 1.306 407 Y HN 0.179 nan 8.280 nan 0.000 0.558 408 E N 1.184 121.374 120.200 -0.017 0.000 2.416 408 E HA -0.081 4.269 4.350 -0.001 0.000 0.249 408 E C -0.094 176.444 176.600 -0.104 0.000 1.124 408 E CA 1.307 57.648 56.400 -0.099 0.000 0.732 408 E CB -1.591 27.942 29.700 -0.277 0.000 1.286 408 E HN 1.798 nan 8.360 nan 0.000 0.394 409 G N 0.232 109.007 108.800 -0.041 0.000 3.405 409 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.676 409 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.676 409 G C 0.031 174.880 174.900 -0.085 0.000 1.039 409 G CA 0.217 45.293 45.100 -0.039 0.000 0.855 409 G HN 0.900 nan 8.290 nan 0.000 0.443 410 T N 2.098 116.618 114.554 -0.057 0.000 2.932 410 T HA 0.214 4.563 4.350 -0.001 0.000 0.312 410 T C 1.602 176.234 174.700 -0.114 0.000 1.071 410 T CA 0.964 63.020 62.100 -0.072 0.000 1.128 410 T CB 0.412 69.272 68.868 -0.013 0.000 0.984 410 T HN 1.149 nan 8.240 nan 0.000 0.549 411 Y N 3.358 123.445 120.300 -0.355 0.000 2.096 411 Y HA -0.285 4.265 4.550 -0.000 0.000 0.278 411 Y C 2.065 177.848 175.900 -0.195 0.000 1.192 411 Y CA 2.762 60.629 58.100 -0.388 0.000 1.143 411 Y CB -0.303 37.770 38.460 -0.645 0.000 0.963 411 Y HN 0.791 nan 8.280 nan 0.000 0.505 412 D N -0.025 120.363 120.400 -0.021 0.000 2.117 412 D HA -0.199 4.441 4.640 -0.001 0.000 0.197 412 D C 2.325 178.501 176.300 -0.207 0.000 0.987 412 D CA 1.491 55.438 54.000 -0.088 0.000 0.829 412 D CB -0.287 40.513 40.800 -0.001 0.000 0.961 412 D HN 0.352 nan 8.370 nan 0.000 0.460 413 I N 1.284 121.763 120.570 -0.150 0.000 2.179 413 I HA -0.227 3.943 4.170 -0.001 0.000 0.242 413 I C 1.810 177.867 176.117 -0.100 0.000 1.088 413 I CA 1.130 62.357 61.300 -0.121 0.000 1.357 413 I CB -1.000 37.018 38.000 0.031 0.000 1.051 413 I HN -0.046 nan 8.210 nan 0.000 0.409 414 N N 0.568 119.188 118.700 -0.133 0.000 2.069 414 N HA -0.176 4.564 4.740 -0.001 0.000 0.191 414 N C 1.787 177.186 175.510 -0.186 0.000 1.031 414 N CA 2.333 55.301 53.050 -0.136 0.000 0.852 414 N CB -0.469 37.907 38.487 -0.186 0.000 1.018 414 N HN 0.474 nan 8.380 nan 0.000 0.423 415 T N -1.233 113.118 114.554 -0.338 0.000 2.881 415 T HA -0.058 4.292 4.350 -0.001 0.000 0.270 415 T C 1.830 176.404 174.700 -0.209 0.000 1.068 415 T CA 0.828 62.736 62.100 -0.322 0.000 1.131 415 T CB -0.394 68.195 68.868 -0.466 0.000 0.871 415 T HN 0.122 nan 8.240 nan 0.000 0.479 416 L N 0.345 121.414 121.223 -0.257 0.000 2.270 416 L HA 0.077 4.416 4.340 -0.001 0.000 0.210 416 L C 2.797 179.673 176.870 0.010 0.000 1.104 416 L CA 0.293 54.938 54.840 -0.325 0.000 0.804 416 L CB -0.302 41.212 42.059 -0.909 0.000 0.937 416 L HN 0.155 nan 8.230 nan 0.000 0.450 417 V N -0.630 119.397 119.914 0.188 0.000 2.307 417 V HA -0.262 3.858 4.120 -0.001 0.000 0.245 417 V C 2.500 178.660 176.094 0.111 0.000 1.045 417 V CA 2.359 64.832 62.300 0.288 0.000 1.024 417 V CB -0.839 31.097 31.823 0.189 0.000 0.651 417 V HN 0.446 nan 8.190 nan 0.000 0.449 418 T N 0.399 114.968 114.554 0.026 0.000 2.833 418 T HA -0.101 4.249 4.350 -0.001 0.000 0.269 418 T C 1.907 176.609 174.700 0.003 0.000 1.054 418 T CA 1.423 63.520 62.100 -0.005 0.000 1.135 418 T CB -0.607 68.237 68.868 -0.041 0.000 0.869 418 T HN 0.624 nan 8.240 nan 0.000 0.466 419 G N 1.471 110.270 108.800 -0.000 0.000 2.433 419 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.216 419 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.216 419 G C 1.538 176.463 174.900 0.041 0.000 1.186 419 G CA 0.771 45.873 45.100 0.002 0.000 0.779 419 G HN 0.434 nan 8.290 nan 0.000 0.543 420 R N 0.523 121.085 120.500 0.102 0.000 2.091 420 R HA -0.095 4.245 4.340 -0.001 0.000 0.238 420 R C 2.412 178.746 176.300 0.057 0.000 1.136 420 R CA 1.920 58.089 56.100 0.115 0.000 0.959 420 R CB -0.362 30.058 30.300 0.200 0.000 0.856 420 R HN 0.532 nan 8.270 nan 0.000 0.437 421 E N -0.412 119.813 120.200 0.043 0.000 2.072 421 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 421 E C 1.814 178.418 176.600 0.008 0.000 0.985 421 E CA 1.420 57.830 56.400 0.017 0.000 0.801 421 E CB 0.221 29.925 29.700 0.007 0.000 0.750 421 E HN 0.248 nan 8.360 nan 0.000 0.452 422 V N 0.719 120.637 119.914 0.007 0.000 2.346 422 V HA -0.200 3.920 4.120 -0.001 0.000 0.244 422 V C 2.698 178.794 176.094 0.004 0.000 1.037 422 V CA 2.031 64.331 62.300 0.001 0.000 1.029 422 V CB -0.835 30.985 31.823 -0.005 0.000 0.663 422 V HN 0.516 nan 8.190 nan 0.000 0.454 423 T N -2.089 112.471 114.554 0.010 0.000 2.857 423 T HA 0.151 4.500 4.350 -0.001 0.000 0.266 423 T C 1.729 176.436 174.700 0.012 0.000 1.048 423 T CA 1.530 63.637 62.100 0.011 0.000 1.139 423 T CB 0.086 68.962 68.868 0.014 0.000 0.874 423 T HN 1.078 nan 8.240 nan 0.000 0.455 424 G N 1.249 110.059 108.800 0.017 0.000 2.176 424 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.232 424 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.232 424 G C 0.003 174.916 174.900 0.022 0.000 0.986 424 G CA 0.029 45.138 45.100 0.015 0.000 0.643 424 G HN 0.678 nan 8.290 nan 0.000 0.522 425 I N 1.426 122.014 120.570 0.030 0.000 2.378 425 I HA 0.654 4.823 4.170 -0.001 0.000 0.291 425 I C 0.616 176.773 176.117 0.067 0.000 0.992 425 I CA -0.738 60.585 61.300 0.038 0.000 1.154 425 I CB 2.002 40.020 38.000 0.030 0.000 1.315 425 I HN 0.230 nan 8.210 nan 0.000 0.448 426 A N 3.953 126.821 122.820 0.080 0.000 2.320 426 A HA 0.475 4.794 4.320 -0.001 0.000 0.287 426 A C 0.341 178.023 177.584 0.165 0.000 1.181 426 A CA -0.136 51.990 52.037 0.149 0.000 0.831 426 A CB 0.644 19.704 19.000 0.099 0.000 1.102 426 A HN 0.646 nan 8.150 nan 0.000 0.513 427 S N 2.077 117.911 115.700 0.223 0.000 2.474 427 S HA 0.443 4.913 4.470 -0.001 0.000 0.224 427 S C -0.214 174.424 174.600 0.063 0.000 1.209 427 S CA -0.372 57.892 58.200 0.106 0.000 1.212 427 S CB -0.632 62.577 63.200 0.015 0.000 1.137 427 S HN 0.576 nan 8.310 nan 0.000 0.446 428 F N 1.427 121.374 119.950 -0.005 0.000 2.315 428 F HA 0.477 5.003 4.527 -0.000 0.000 0.284 428 F C 1.327 177.125 175.800 -0.003 0.000 1.049 428 F CA 0.116 58.113 58.000 -0.005 0.000 1.323 428 F CB -0.233 38.764 39.000 -0.005 0.000 1.113 428 F HN 0.107 nan 8.300 nan 0.000 0.544 429 K N 1.700 122.225 120.400 0.207 0.000 2.336 429 K HA 0.090 4.409 4.320 -0.001 0.000 0.262 429 K C -1.934 174.705 176.600 0.065 0.000 0.992 429 K CA -1.067 55.285 56.287 0.108 0.000 0.927 429 K CB -0.357 32.190 32.500 0.078 0.000 0.956 429 K HN -0.038 nan 8.250 nan 0.000 0.495 430 P HA 0.140 nan 4.420 nan 0.000 0.289 430 P C -0.405 176.911 177.300 0.025 0.000 1.299 430 P CA -0.393 62.724 63.100 0.028 0.000 0.766 430 P CB 0.738 32.452 31.700 0.023 0.000 1.226 431 A N -0.481 122.351 122.820 0.019 0.000 2.099 431 A HA 0.047 4.366 4.320 -0.001 0.000 0.206 431 A C 1.788 179.381 177.584 0.015 0.000 1.464 431 A CA 2.556 54.603 52.037 0.016 0.000 0.603 431 A CB -1.732 17.275 19.000 0.013 0.000 1.056 431 A HN 0.687 nan 8.150 nan 0.000 0.492 432 T N -3.112 111.450 114.554 0.013 0.000 12.091 432 T HA -0.331 4.019 4.350 -0.001 0.000 0.419 432 T C 0.705 175.411 174.700 0.011 0.000 1.442 432 T CA 4.400 66.507 62.100 0.011 0.000 2.394 432 T CB -1.408 67.467 68.868 0.012 0.000 2.865 432 T HN 2.343 nan 8.240 nan 0.000 0.872 433 R N 0.000 120.507 120.500 0.011 0.000 2.786 433 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 433 R CA 0.000 nan 56.100 nan 0.000 0.921 433 R CB 0.000 nan 30.300 nan 0.000 0.687 433 R HN 0.000 nan 8.270 nan 0.000 0.535