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 2ix5_1_C 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 SFKPAT 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 0.000 176.449 176.600 -0.251 0.000 0.988 17 K CA 0.000 56.062 56.287 -0.375 0.000 0.838 17 K CB 0.000 32.363 32.500 -0.228 0.000 1.064 18 S N 0.306 115.893 115.700 -0.188 0.000 2.595 18 S HA 0.118 4.589 4.470 0.001 0.000 0.270 18 S C 0.184 174.595 174.600 -0.315 0.000 1.145 18 S CA -0.280 57.715 58.200 -0.342 0.000 0.825 18 S CB 1.458 64.340 63.200 -0.530 0.000 1.107 18 S HN 0.714 nan 8.310 nan 0.000 0.461 19 S N 0.473 115.902 115.700 -0.452 0.000 2.547 19 S HA -0.089 4.382 4.470 0.001 0.000 0.235 19 S C 0.829 175.366 174.600 -0.105 0.000 0.980 19 S CA 1.073 59.139 58.200 -0.224 0.000 0.941 19 S CB -0.623 62.497 63.200 -0.133 0.000 0.763 19 S HN 0.869 nan 8.310 nan 0.000 0.532 20 Y N -3.081 117.274 120.300 0.091 0.000 2.563 20 Y HA 0.530 5.081 4.550 0.001 0.000 0.250 20 Y C 1.167 177.126 175.900 0.099 0.000 1.126 20 Y CA -1.880 56.266 58.100 0.076 0.000 1.231 20 Y CB -0.771 37.721 38.460 0.053 0.000 1.288 20 Y HN 0.125 nan 8.280 nan 0.000 0.537 21 F N 2.444 122.428 119.950 0.057 0.000 2.134 21 F HA -0.079 4.449 4.527 0.001 0.000 0.299 21 F C 1.277 177.115 175.800 0.064 0.000 1.097 21 F CA 1.857 59.904 58.000 0.079 0.000 1.264 21 F CB 0.066 39.067 39.000 0.003 0.000 1.001 21 F HN -0.000 nan 8.300 nan 0.000 0.479 22 D N 0.646 121.106 120.400 0.099 0.000 2.340 22 D HA 0.094 4.735 4.640 0.001 0.000 0.220 22 D C 0.589 176.879 176.300 -0.016 0.000 1.039 22 D CA 0.269 54.277 54.000 0.013 0.000 0.866 22 D CB -0.129 40.720 40.800 0.083 0.000 0.913 22 D HN 0.198 nan 8.370 nan 0.000 0.523 23 L N 2.276 123.502 121.223 0.005 0.000 2.452 23 L HA 0.200 4.541 4.340 0.001 0.000 0.267 23 L C -1.578 175.276 176.870 -0.026 0.000 1.188 23 L CA -1.411 53.436 54.840 0.011 0.000 0.821 23 L CB -0.115 41.976 42.059 0.053 0.000 1.102 23 L HN -0.137 nan 8.230 nan 0.000 0.470 24 P HA 0.228 nan 4.420 nan 0.000 0.274 24 P C -2.458 174.827 177.300 -0.025 0.000 1.231 24 P CA -1.085 61.999 63.100 -0.027 0.000 0.790 24 P CB -0.430 31.260 31.700 -0.016 0.000 0.951 25 P HA 0.078 nan 4.420 nan 0.000 0.268 25 P C 0.086 177.382 177.300 -0.007 0.000 1.208 25 P CA -0.065 63.023 63.100 -0.020 0.000 0.777 25 P CB 0.447 32.137 31.700 -0.016 0.000 0.875 26 M N 1.130 120.731 119.600 0.001 0.000 2.238 26 M HA 0.001 4.481 4.480 0.001 0.000 0.350 26 M C 0.545 176.856 176.300 0.019 0.000 1.321 26 M CA 0.232 55.538 55.300 0.010 0.000 1.097 26 M CB 0.367 32.976 32.600 0.015 0.000 1.713 26 M HN 0.299 nan 8.290 nan 0.000 0.455 27 E N 3.699 123.908 120.200 0.017 0.000 2.414 27 E HA -0.067 4.283 4.350 0.001 0.000 0.263 27 E C 0.721 177.344 176.600 0.038 0.000 1.000 27 E CA -0.198 56.213 56.400 0.018 0.000 0.914 27 E CB 1.155 30.861 29.700 0.011 0.000 0.948 27 E HN 0.810 nan 8.360 nan 0.000 0.444 28 M N 3.871 123.495 119.600 0.041 0.000 2.144 28 M HA -0.175 4.306 4.480 0.001 0.000 0.260 28 M C 2.150 178.515 176.300 0.109 0.000 1.067 28 M CA 2.610 57.962 55.300 0.087 0.000 1.095 28 M CB -0.608 32.015 32.600 0.039 0.000 1.365 28 M HN 0.690 nan 8.290 nan 0.000 0.406 29 S N -1.780 113.955 115.700 0.059 0.000 2.469 29 S HA -0.060 4.411 4.470 0.001 0.000 0.238 29 S C 1.534 176.152 174.600 0.029 0.000 0.998 29 S CA 1.236 59.462 58.200 0.042 0.000 0.957 29 S CB -0.757 62.455 63.200 0.020 0.000 0.764 29 S HN 0.380 nan 8.310 nan 0.000 0.514 30 V N 0.580 120.516 119.914 0.036 0.000 3.212 30 V HA 0.361 4.481 4.120 0.001 0.000 0.244 30 V C 2.804 178.923 176.094 0.042 0.000 1.151 30 V CA 0.602 62.915 62.300 0.022 0.000 1.119 30 V CB -0.676 31.155 31.823 0.013 0.000 0.838 30 V HN 0.547 nan 8.190 nan 0.000 0.470 31 A N -0.442 122.427 122.820 0.082 0.000 1.873 31 A HA 0.018 4.339 4.320 0.001 0.000 0.215 31 A C 1.192 178.907 177.584 0.219 0.000 1.186 31 A CA 1.588 53.701 52.037 0.127 0.000 0.616 31 A CB -0.213 18.871 19.000 0.139 0.000 0.823 31 A HN 0.490 nan 8.150 nan 0.000 0.442 32 F N 0.034 120.024 119.950 0.066 0.000 2.872 32 F HA 0.380 4.908 4.527 0.001 0.000 0.363 32 F C -2.235 173.608 175.800 0.072 0.000 1.357 32 F CA -1.921 56.124 58.000 0.074 0.000 1.174 32 F CB 1.647 40.733 39.000 0.143 0.000 1.860 32 F HN -0.001 nan 8.300 nan 0.000 0.615 33 P HA -0.154 nan 4.420 nan 0.000 0.226 33 P C 1.219 178.385 177.300 -0.222 0.000 1.153 33 P CA 1.071 64.094 63.100 -0.128 0.000 0.777 33 P CB 0.290 31.919 31.700 -0.119 0.000 0.794 34 Q N -0.295 119.190 119.800 -0.525 0.000 2.119 34 Q HA 0.031 4.372 4.340 0.001 0.000 0.201 34 Q C 0.601 176.448 176.000 -0.256 0.000 0.972 34 Q CA 0.796 56.315 55.803 -0.472 0.000 0.847 34 Q CB -0.016 28.304 28.738 -0.697 0.000 0.903 34 Q HN 0.177 nan 8.270 nan 0.000 0.433 35 A N -0.136 122.653 122.820 -0.051 0.000 2.365 35 A HA 0.497 4.818 4.320 0.001 0.000 0.318 35 A C -0.680 177.137 177.584 0.388 0.000 1.091 35 A CA -0.632 51.516 52.037 0.185 0.000 0.763 35 A CB 1.593 20.659 19.000 0.110 0.000 1.248 35 A HN 0.060 nan 8.150 nan 0.000 0.442 36 T N 4.957 119.665 114.554 0.257 0.000 2.814 36 T HA 0.447 4.797 4.350 0.001 0.000 0.297 36 T C -2.164 172.649 174.700 0.189 0.000 0.956 36 T CA -0.445 61.761 62.100 0.178 0.000 1.123 36 T CB 0.495 69.417 68.868 0.090 0.000 0.902 36 T HN 0.570 nan 8.240 nan 0.000 0.528 37 P HA 0.287 nan 4.420 nan 0.000 0.277 37 P C 0.506 177.682 177.300 -0.206 0.000 1.271 37 P CA -0.526 62.276 63.100 -0.496 0.000 0.795 37 P CB 0.650 31.958 31.700 -0.654 0.000 1.101 38 A N 0.809 123.502 122.820 -0.213 0.000 2.067 38 A HA -0.145 4.175 4.320 0.001 0.000 0.219 38 A C 2.199 179.819 177.584 0.060 0.000 1.158 38 A CA 1.902 53.904 52.037 -0.058 0.000 0.661 38 A CB -1.788 17.211 19.000 -0.003 0.000 0.801 38 A HN 0.658 nan 8.150 nan 0.000 0.452 39 S N -0.653 115.042 115.700 -0.008 0.000 2.387 39 S HA -0.120 4.351 4.470 0.001 0.000 0.230 39 S C 0.915 175.558 174.600 0.072 0.000 1.035 39 S CA 1.661 59.881 58.200 0.034 0.000 1.014 39 S CB -0.942 62.252 63.200 -0.010 0.000 0.836 39 S HN 0.385 nan 8.310 nan 0.000 0.466 40 T N 3.022 117.608 114.554 0.053 0.000 2.891 40 T HA 0.419 4.770 4.350 0.001 0.000 0.315 40 T C -0.653 174.110 174.700 0.104 0.000 1.054 40 T CA -0.533 61.615 62.100 0.079 0.000 0.958 40 T CB -0.284 68.611 68.868 0.045 0.000 1.008 40 T HN 0.292 nan 8.240 nan 0.000 0.521 41 F N 6.744 126.706 119.950 0.019 0.000 2.538 41 F HA 0.262 4.789 4.527 0.001 0.000 0.371 41 F C -1.469 174.360 175.800 0.048 0.000 1.087 41 F CA -1.964 56.054 58.000 0.031 0.000 1.250 41 F CB 0.567 39.584 39.000 0.028 0.000 1.110 41 F HN 0.337 nan 8.300 nan 0.000 0.570 42 P HA 0.066 nan 4.420 nan 0.000 0.268 42 P C -2.684 174.613 177.300 -0.006 0.000 1.208 42 P CA -0.934 62.044 63.100 -0.205 0.000 0.777 42 P CB -0.275 31.239 31.700 -0.311 0.000 0.875 43 P HA 0.036 nan 4.420 nan 0.000 0.274 43 P C -0.228 177.123 177.300 0.085 0.000 1.237 43 P CA -0.363 62.789 63.100 0.087 0.000 0.793 43 P CB 0.526 32.265 31.700 0.065 0.000 0.977 44 C N 2.852 122.213 119.300 0.103 0.000 2.619 44 C HA 0.209 4.669 4.460 0.001 0.000 0.389 44 C C 1.774 176.783 174.990 0.032 0.000 1.314 44 C CA 0.671 59.749 59.018 0.100 0.000 1.678 44 C CB -1.852 25.953 27.740 0.109 0.000 2.398 44 C HN 0.704 nan 8.230 nan 0.000 0.582 45 T N 0.082 114.653 114.554 0.027 0.000 3.003 45 T HA 0.008 4.358 4.350 0.001 0.000 0.261 45 T C 1.491 176.159 174.700 -0.053 0.000 1.003 45 T CA 0.588 62.648 62.100 -0.067 0.000 0.917 45 T CB -0.183 68.452 68.868 -0.388 0.000 1.084 45 T HN 0.739 nan 8.240 nan 0.000 0.522 46 S N 1.236 116.932 115.700 -0.006 0.000 2.481 46 S HA -0.032 4.439 4.470 0.001 0.000 0.231 46 S C 0.893 175.394 174.600 -0.165 0.000 0.996 46 S CA 0.338 58.391 58.200 -0.245 0.000 0.942 46 S CB -0.583 62.615 63.200 -0.003 0.000 0.768 46 S HN 0.380 nan 8.310 nan 0.000 0.520 47 D N 0.794 121.122 120.400 -0.119 0.000 2.551 47 D HA 0.103 4.744 4.640 0.001 0.000 0.223 47 D C 0.064 176.134 176.300 -0.384 0.000 1.144 47 D CA -0.487 53.303 54.000 -0.350 0.000 1.025 47 D CB -0.320 40.348 40.800 -0.219 0.000 1.085 47 D HN 0.341 nan 8.370 nan 0.000 0.506 48 Y N 2.378 122.351 120.300 -0.545 0.000 2.476 48 Y HA 0.022 4.573 4.550 0.001 0.000 0.283 48 Y C 0.500 176.329 175.900 -0.119 0.000 1.109 48 Y CA 0.643 58.573 58.100 -0.285 0.000 1.246 48 Y CB 0.124 38.450 38.460 -0.224 0.000 1.068 48 Y HN 0.241 nan 8.280 nan 0.000 0.552 49 Y N 0.689 120.552 120.300 -0.728 0.000 2.583 49 Y HA 0.185 4.736 4.550 0.001 0.000 0.294 49 Y C 0.117 175.686 175.900 -0.552 0.000 1.170 49 Y CA -0.337 57.404 58.100 -0.597 0.000 1.265 49 Y CB -1.704 36.556 38.460 -0.334 0.000 1.119 49 Y HN 0.265 nan 8.280 nan 0.000 0.522 50 H N -1.241 117.487 119.070 -0.569 0.000 2.631 50 H HA -0.251 4.305 4.556 0.001 0.000 0.322 50 H C 0.384 175.541 175.328 -0.285 0.000 1.035 50 H CA 0.162 55.983 56.048 -0.378 0.000 1.070 50 H CB -1.317 28.299 29.762 -0.242 0.000 1.622 50 H HN 0.428 nan 8.280 nan 0.000 0.373 51 F N 1.249 121.055 119.950 -0.240 0.000 2.234 51 F HA -0.188 4.339 4.527 0.001 0.000 0.299 51 F C 2.290 178.041 175.800 -0.082 0.000 1.087 51 F CA 0.411 58.212 58.000 -0.332 0.000 1.340 51 F CB -0.143 38.359 39.000 -0.830 0.000 1.031 51 F HN 0.459 nan 8.300 nan 0.000 0.500 52 N N 0.595 119.354 118.700 0.098 0.000 2.334 52 N HA -0.179 4.561 4.740 0.001 0.000 0.187 52 N C 1.110 176.737 175.510 0.195 0.000 1.016 52 N CA 1.155 54.286 53.050 0.136 0.000 0.879 52 N CB -0.528 37.984 38.487 0.040 0.000 0.965 52 N HN 0.285 nan 8.380 nan 0.000 0.438 53 D N 0.270 120.819 120.400 0.249 0.000 2.218 53 D HA -0.066 4.574 4.640 0.001 0.000 0.204 53 D C 1.481 177.840 176.300 0.098 0.000 0.976 53 D CA 0.567 54.653 54.000 0.143 0.000 0.853 53 D CB 0.058 40.894 40.800 0.061 0.000 0.939 53 D HN 0.337 nan 8.370 nan 0.000 0.481 54 L N -0.039 121.244 121.223 0.100 0.000 2.628 54 L HA 0.226 4.567 4.340 0.001 0.000 0.229 54 L C 0.225 177.291 176.870 0.326 0.000 1.137 54 L CA 0.024 54.915 54.840 0.084 0.000 0.909 54 L CB 0.228 42.063 42.059 -0.373 0.000 1.137 54 L HN -0.157 nan 8.230 nan 0.000 0.470 55 L N -0.268 121.112 121.223 0.262 0.000 2.362 55 L HA 0.401 4.742 4.340 0.001 0.000 0.271 55 L C 0.598 177.572 176.870 0.173 0.000 1.002 55 L CA -0.680 54.309 54.840 0.248 0.000 0.818 55 L CB 2.005 44.201 42.059 0.229 0.000 1.298 55 L HN 0.035 nan 8.230 nan 0.000 0.420 56 T N -1.495 113.146 114.554 0.145 0.000 2.855 56 T HA 0.123 4.474 4.350 0.001 0.000 0.314 56 T C -1.904 172.846 174.700 0.083 0.000 1.077 56 T CA -1.112 61.048 62.100 0.101 0.000 1.095 56 T CB 0.830 69.744 68.868 0.077 0.000 0.987 56 T HN 0.376 nan 8.240 nan 0.000 0.546 57 P HA -0.050 nan 4.420 nan 0.000 0.218 57 P C 1.261 178.590 177.300 0.048 0.000 1.148 57 P CA 0.909 64.043 63.100 0.057 0.000 0.822 57 P CB 0.057 31.785 31.700 0.047 0.000 0.784 58 E N -0.075 120.150 120.200 0.042 0.000 2.077 58 E HA -0.181 4.170 4.350 0.001 0.000 0.193 58 E C 1.898 178.517 176.600 0.032 0.000 0.989 58 E CA 1.243 57.662 56.400 0.031 0.000 0.800 58 E CB -0.755 28.959 29.700 0.023 0.000 0.746 58 E HN 0.401 nan 8.360 nan 0.000 0.452 59 E N 0.201 120.427 120.200 0.042 0.000 2.204 59 E HA -0.150 4.201 4.350 0.001 0.000 0.194 59 E C 2.012 178.647 176.600 0.059 0.000 0.989 59 E CA 0.734 57.159 56.400 0.042 0.000 0.824 59 E CB 0.014 29.748 29.700 0.058 0.000 0.756 59 E HN 0.326 nan 8.360 nan 0.000 0.477 60 Q N 0.050 119.893 119.800 0.071 0.000 2.123 60 Q HA -0.065 4.276 4.340 0.001 0.000 0.199 60 Q C 2.238 178.271 176.000 0.055 0.000 0.966 60 Q CA 1.119 56.967 55.803 0.074 0.000 0.845 60 Q CB -0.057 28.727 28.738 0.075 0.000 0.907 60 Q HN 0.228 nan 8.270 nan 0.000 0.439 61 A N 0.976 123.822 122.820 0.043 0.000 1.898 61 A HA -0.159 4.162 4.320 0.001 0.000 0.216 61 A C 2.044 179.645 177.584 0.028 0.000 1.181 61 A CA 1.052 53.109 52.037 0.034 0.000 0.620 61 A CB -0.553 18.464 19.000 0.028 0.000 0.819 61 A HN 0.260 nan 8.150 nan 0.000 0.442 62 I N -0.901 119.683 120.570 0.024 0.000 2.142 62 I HA -0.273 3.898 4.170 0.001 0.000 0.240 62 I C 2.659 178.788 176.117 0.021 0.000 1.078 62 I CA 1.774 63.082 61.300 0.014 0.000 1.343 62 I CB -0.347 37.652 38.000 -0.000 0.000 1.046 62 I HN 0.361 nan 8.210 nan 0.000 0.405 63 R N 1.281 121.801 120.500 0.034 0.000 2.119 63 R HA -0.302 4.038 4.340 0.001 0.000 0.246 63 R C 2.296 178.627 176.300 0.051 0.000 1.146 63 R CA 2.294 58.426 56.100 0.054 0.000 0.962 63 R CB -0.215 30.139 30.300 0.089 0.000 0.863 63 R HN 0.230 nan 8.270 nan 0.000 0.442 64 K N 0.567 120.995 120.400 0.046 0.000 2.001 64 K HA -0.169 4.152 4.320 0.001 0.000 0.208 64 K C 2.183 178.801 176.600 0.029 0.000 1.048 64 K CA 1.700 58.010 56.287 0.040 0.000 0.932 64 K CB -0.102 32.420 32.500 0.037 0.000 0.715 64 K HN 0.028 nan 8.250 nan 0.000 0.437 65 K N 0.305 120.719 120.400 0.023 0.000 2.032 65 K HA -0.148 4.173 4.320 0.001 0.000 0.209 65 K C 1.885 178.491 176.600 0.010 0.000 1.048 65 K CA 1.823 58.119 56.287 0.016 0.000 0.927 65 K CB -0.100 32.409 32.500 0.014 0.000 0.712 65 K HN 0.057 nan 8.250 nan 0.000 0.441 66 V N 1.130 121.050 119.914 0.009 0.000 2.358 66 V HA -0.218 3.903 4.120 0.001 0.000 0.246 66 V C 2.585 178.672 176.094 -0.011 0.000 1.047 66 V CA 1.979 64.280 62.300 0.001 0.000 1.035 66 V CB -0.586 31.239 31.823 0.004 0.000 0.658 66 V HN 0.397 nan 8.190 nan 0.000 0.452 67 R N 0.190 120.692 120.500 0.003 0.000 2.083 67 R HA -0.208 4.133 4.340 0.001 0.000 0.237 67 R C 2.295 178.583 176.300 -0.021 0.000 1.137 67 R CA 2.079 58.174 56.100 -0.008 0.000 0.951 67 R CB -0.218 30.102 30.300 0.034 0.000 0.851 67 R HN 0.603 nan 8.270 nan 0.000 0.434 68 E N -0.497 119.703 120.200 0.002 0.000 2.204 68 E HA -0.202 4.149 4.350 0.001 0.000 0.194 68 E C 2.064 178.658 176.600 -0.010 0.000 0.989 68 E CA 1.047 57.450 56.400 0.005 0.000 0.824 68 E CB -0.096 29.614 29.700 0.017 0.000 0.756 68 E HN 0.424 nan 8.360 nan 0.000 0.477 69 C N 0.409 119.698 119.300 -0.019 0.000 2.475 69 C HA -0.022 4.439 4.460 0.001 0.000 0.279 69 C C 2.415 177.373 174.990 -0.053 0.000 1.322 69 C CA 0.269 59.271 59.018 -0.027 0.000 1.734 69 C CB -0.440 27.288 27.740 -0.020 0.000 2.005 69 C HN 0.351 nan 8.230 nan 0.000 0.495 70 M N 0.768 120.321 119.600 -0.079 0.000 2.132 70 M HA -0.057 4.424 4.480 0.001 0.000 0.263 70 M C 2.008 178.207 176.300 -0.169 0.000 1.065 70 M CA 1.568 56.789 55.300 -0.132 0.000 1.122 70 M CB -1.532 30.967 32.600 -0.168 0.000 1.365 70 M HN 0.525 nan 8.290 nan 0.000 0.411 71 E N -0.135 119.972 120.200 -0.154 0.000 2.106 71 E HA -0.173 4.178 4.350 0.001 0.000 0.192 71 E C 2.102 178.690 176.600 -0.021 0.000 0.984 71 E CA 0.840 57.177 56.400 -0.105 0.000 0.806 71 E CB -0.015 29.677 29.700 -0.013 0.000 0.750 71 E HN 0.432 nan 8.360 nan 0.000 0.458 72 K N 0.542 120.932 120.400 -0.018 0.000 2.116 72 K HA -0.106 4.215 4.320 0.001 0.000 0.203 72 K C 1.580 178.177 176.600 -0.005 0.000 1.052 72 K CA 0.995 57.282 56.287 0.001 0.000 0.952 72 K CB 0.383 32.885 32.500 0.004 0.000 0.729 72 K HN -0.027 nan 8.250 nan 0.000 0.446 73 E N -0.373 119.809 120.200 -0.030 0.000 2.372 73 E HA 0.009 4.359 4.350 0.001 0.000 0.201 73 E C 1.841 178.404 176.600 -0.060 0.000 0.938 73 E CA 0.418 56.796 56.400 -0.036 0.000 0.944 73 E CB 0.866 30.534 29.700 -0.054 0.000 0.937 73 E HN 0.089 nan 8.360 nan 0.000 0.495 74 V N 0.973 120.838 119.914 -0.081 0.000 2.908 74 V HA 0.138 4.259 4.120 0.001 0.000 0.240 74 V C 2.312 178.375 176.094 -0.052 0.000 1.117 74 V CA 1.121 63.361 62.300 -0.100 0.000 1.133 74 V CB -0.274 31.469 31.823 -0.132 0.000 0.857 74 V HN 0.148 nan 8.190 nan 0.000 0.478 75 A N 1.389 124.178 122.820 -0.051 0.000 1.892 75 A HA -0.135 4.186 4.320 0.001 0.000 0.218 75 A C 0.274 177.888 177.584 0.050 0.000 1.188 75 A CA 2.344 54.392 52.037 0.017 0.000 0.631 75 A CB -1.916 17.124 19.000 0.066 0.000 0.822 75 A HN 0.550 nan 8.150 nan 0.000 0.447 76 P HA 0.021 nan 4.420 nan 0.000 0.234 76 P C 0.778 178.117 177.300 0.065 0.000 1.167 76 P CA 0.735 63.864 63.100 0.049 0.000 0.763 76 P CB 0.139 31.866 31.700 0.045 0.000 0.835 77 I N -1.916 118.701 120.570 0.080 0.000 4.403 77 I HA 0.122 4.293 4.170 0.001 0.000 0.331 77 I C 1.876 178.117 176.117 0.208 0.000 1.327 77 I CA 0.091 61.484 61.300 0.155 0.000 1.175 77 I CB -0.287 37.819 38.000 0.177 0.000 1.165 77 I HN -0.209 nan 8.210 nan 0.000 0.413 78 M N -1.705 117.965 119.600 0.117 0.000 2.159 78 M HA -0.103 4.378 4.480 0.001 0.000 0.263 78 M C 1.780 178.198 176.300 0.196 0.000 1.063 78 M CA 1.954 57.333 55.300 0.133 0.000 1.110 78 M CB -1.451 31.182 32.600 0.055 0.000 1.374 78 M HN -0.013 nan 8.290 nan 0.000 0.411 79 T N 1.344 115.975 114.554 0.128 0.000 2.643 79 T HA -0.140 4.211 4.350 0.001 0.000 0.264 79 T C 2.389 177.188 174.700 0.164 0.000 1.045 79 T CA 2.629 64.800 62.100 0.118 0.000 1.155 79 T CB -0.805 68.084 68.868 0.034 0.000 0.863 79 T HN 0.741 nan 8.240 nan 0.000 0.420 80 E N 0.557 120.817 120.200 0.100 0.000 2.097 80 E HA -0.231 4.120 4.350 0.001 0.000 0.196 80 E C 1.843 178.429 176.600 -0.023 0.000 1.000 80 E CA 1.846 58.248 56.400 0.003 0.000 0.804 80 E CB -1.449 28.196 29.700 -0.092 0.000 0.740 80 E HN 0.800 nan 8.360 nan 0.000 0.454 81 Y N -1.950 118.403 120.300 0.089 0.000 2.220 81 Y HA 0.012 4.563 4.550 0.001 0.000 0.291 81 Y C 2.336 178.305 175.900 0.114 0.000 1.129 81 Y CA 1.290 59.431 58.100 0.069 0.000 1.161 81 Y CB -0.407 38.057 38.460 0.008 0.000 0.997 81 Y HN 0.503 nan 8.280 nan 0.000 0.522 82 W N 1.413 122.798 121.300 0.141 0.000 2.338 82 W HA -0.256 4.405 4.660 0.001 0.000 0.304 82 W C 2.457 179.021 176.519 0.074 0.000 1.212 82 W CA 2.343 59.747 57.345 0.099 0.000 1.264 82 W CB -0.161 29.349 29.460 0.084 0.000 1.142 82 W HN 0.139 nan 8.180 nan 0.000 0.512 83 E N 0.538 120.923 120.200 0.309 0.000 2.106 83 E HA -0.189 4.161 4.350 0.001 0.000 0.192 83 E C 1.818 178.425 176.600 0.011 0.000 0.984 83 E CA 1.743 58.241 56.400 0.163 0.000 0.806 83 E CB -0.332 29.472 29.700 0.174 0.000 0.750 83 E HN 0.154 nan 8.360 nan 0.000 0.458 84 K N -0.348 120.053 120.400 0.001 0.000 2.486 84 K HA 0.172 4.493 4.320 0.001 0.000 0.194 84 K C 0.601 177.184 176.600 -0.029 0.000 1.033 84 K CA 0.553 56.822 56.287 -0.030 0.000 1.004 84 K CB 0.140 32.598 32.500 -0.069 0.000 0.798 84 K HN 0.229 nan 8.250 nan 0.000 0.495 85 A N 1.790 124.575 122.820 -0.058 0.000 2.832 85 A HA -0.230 4.091 4.320 0.001 0.000 0.280 85 A C -0.297 177.307 177.584 0.033 0.000 1.464 85 A CA 1.159 53.151 52.037 -0.075 0.000 0.804 85 A CB -1.902 17.038 19.000 -0.100 0.000 1.020 85 A HN 0.487 nan 8.150 nan 0.000 0.563 86 E N -1.530 118.732 120.200 0.103 0.000 2.212 86 E HA 0.648 4.998 4.350 0.001 0.000 0.270 86 E C -0.331 176.388 176.600 0.199 0.000 0.956 86 E CA -0.884 55.626 56.400 0.183 0.000 0.825 86 E CB 0.941 30.770 29.700 0.216 0.000 1.167 86 E HN 0.465 nan 8.360 nan 0.000 0.400 87 F N 4.074 123.945 119.950 -0.131 0.000 2.412 87 F HA 0.273 4.801 4.527 0.001 0.000 0.348 87 F C -1.876 173.570 175.800 -0.591 0.000 1.102 87 F CA -2.432 55.264 58.000 -0.506 0.000 1.196 87 F CB 0.963 39.353 39.000 -1.017 0.000 1.144 87 F HN 0.217 nan 8.300 nan 0.000 0.541 88 P HA 0.101 nan 4.420 nan 0.000 0.238 88 P C 0.384 177.066 177.300 -1.031 0.000 1.794 88 P CA 0.185 62.542 63.100 -1.239 0.000 1.088 88 P CB -0.423 30.407 31.700 -1.449 0.000 1.923 89 F N 1.432 121.158 119.950 -0.373 0.000 2.154 89 F HA -0.239 4.288 4.527 0.001 0.000 0.301 89 F C 2.758 178.456 175.800 -0.171 0.000 1.087 89 F CA 1.578 59.488 58.000 -0.150 0.000 1.274 89 F CB -0.927 38.050 39.000 -0.038 0.000 1.009 89 F HN 0.435 nan 8.300 nan 0.000 0.485 90 H N -0.636 118.424 119.070 -0.017 0.000 2.543 90 H HA -0.106 4.450 4.556 0.001 0.000 0.286 90 H C 1.923 177.196 175.328 -0.091 0.000 1.037 90 H CA 1.267 57.297 56.048 -0.031 0.000 1.250 90 H CB -0.595 29.153 29.762 -0.023 0.000 1.373 90 H HN 0.338 nan 8.280 nan 0.000 0.580 91 I N 1.688 121.822 120.570 -0.727 0.000 3.226 91 I HA -0.111 4.060 4.170 0.001 0.000 0.277 91 I C 2.016 177.980 176.117 -0.255 0.000 1.243 91 I CA 0.482 61.442 61.300 -0.566 0.000 1.459 91 I CB -0.113 37.462 38.000 -0.708 0.000 1.093 91 I HN 0.155 nan 8.210 nan 0.000 0.453 92 T N 2.352 116.810 114.554 -0.159 0.000 2.635 92 T HA -0.116 4.235 4.350 0.001 0.000 0.267 92 T C -0.513 174.218 174.700 0.053 0.000 1.040 92 T CA 1.984 64.099 62.100 0.024 0.000 1.156 92 T CB -1.357 67.603 68.868 0.153 0.000 0.863 92 T HN 0.294 nan 8.240 nan 0.000 0.430 93 P HA -0.046 nan 4.420 nan 0.000 0.225 93 P C 1.175 178.491 177.300 0.026 0.000 1.148 93 P CA 1.069 64.196 63.100 0.045 0.000 0.779 93 P CB 0.024 31.752 31.700 0.046 0.000 0.780 94 K N 0.151 120.549 120.400 -0.003 0.000 2.021 94 K HA 0.055 4.376 4.320 0.001 0.000 0.205 94 K C 2.377 178.979 176.600 0.003 0.000 1.047 94 K CA 0.802 57.083 56.287 -0.010 0.000 0.943 94 K CB -1.083 31.391 32.500 -0.044 0.000 0.725 94 K HN 0.235 nan 8.250 nan 0.000 0.439 95 L N 0.802 122.028 121.223 0.006 0.000 2.129 95 L HA -0.157 4.184 4.340 0.001 0.000 0.212 95 L C 2.522 179.425 176.870 0.055 0.000 1.087 95 L CA 1.491 56.356 54.840 0.041 0.000 0.757 95 L CB -1.030 41.088 42.059 0.099 0.000 0.896 95 L HN 0.338 nan 8.230 nan 0.000 0.434 96 G N -0.488 108.349 108.800 0.061 0.000 2.408 96 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 96 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 96 G C 1.719 176.647 174.900 0.046 0.000 1.150 96 G CA 0.677 45.813 45.100 0.060 0.000 0.776 96 G HN 0.468 nan 8.290 nan 0.000 0.542 97 A N 0.392 123.234 122.820 0.036 0.000 2.119 97 A HA 0.212 4.533 4.320 0.001 0.000 0.217 97 A C 2.329 179.927 177.584 0.023 0.000 1.153 97 A CA 1.070 53.124 52.037 0.029 0.000 0.692 97 A CB -0.304 18.710 19.000 0.023 0.000 0.799 97 A HN 0.384 nan 8.150 nan 0.000 0.458 98 M N -1.268 118.344 119.600 0.022 0.000 2.374 98 M HA 0.017 4.498 4.480 0.001 0.000 0.264 98 M C 1.443 177.753 176.300 0.017 0.000 1.067 98 M CA 1.092 56.402 55.300 0.016 0.000 1.103 98 M CB -0.230 32.378 32.600 0.014 0.000 1.402 98 M HN 0.658 nan 8.290 nan 0.000 0.444 99 G N 0.759 109.573 108.800 0.023 0.000 2.182 99 G HA2 -0.203 3.758 3.960 0.001 0.000 0.248 99 G HA3 -0.203 3.758 3.960 0.001 0.000 0.248 99 G C 0.501 175.411 174.900 0.016 0.000 1.042 99 G CA 0.310 45.423 45.100 0.022 0.000 0.775 99 G HN 0.449 nan 8.290 nan 0.000 0.501 100 V N -2.965 116.960 119.914 0.019 0.000 2.521 100 V HA 0.717 4.837 4.120 0.001 0.000 0.239 100 V C 1.943 178.048 176.094 0.018 0.000 1.053 100 V CA 1.301 63.606 62.300 0.009 0.000 1.073 100 V CB -0.789 31.037 31.823 0.005 0.000 0.746 100 V HN 1.890 nan 8.190 nan 0.000 0.476 101 A N 1.047 123.894 122.820 0.046 0.000 2.573 101 A HA 0.423 4.744 4.320 0.001 0.000 0.250 101 A C 1.525 179.150 177.584 0.068 0.000 1.049 101 A CA 1.153 53.245 52.037 0.093 0.000 0.767 101 A CB -1.029 18.058 19.000 0.143 0.000 0.965 101 A HN 2.106 nan 8.150 nan 0.000 0.514 102 G N 1.419 110.233 108.800 0.024 0.000 2.391 102 G HA2 0.198 4.159 3.960 0.001 0.000 0.204 102 G HA3 0.198 4.159 3.960 0.001 0.000 0.204 102 G C 1.716 176.599 174.900 -0.028 0.000 1.012 102 G CA 0.822 45.920 45.100 -0.004 0.000 0.651 102 G HN 2.795 nan 8.290 nan 0.000 0.494 103 G N 0.113 108.894 108.800 -0.033 0.000 2.629 103 G HA2 -0.223 3.738 3.960 0.001 0.000 0.313 103 G HA3 -0.223 3.738 3.960 0.001 0.000 0.313 103 G C 1.202 176.075 174.900 -0.045 0.000 1.217 103 G CA 1.549 46.615 45.100 -0.057 0.000 0.994 103 G HN 1.584 nan 8.290 nan 0.000 0.549 104 S N 0.619 116.289 115.700 -0.050 0.000 2.556 104 S HA 0.345 4.816 4.470 0.001 0.000 0.216 104 S C 1.167 175.768 174.600 0.002 0.000 0.970 104 S CA 0.051 58.235 58.200 -0.026 0.000 0.912 104 S CB -0.081 63.103 63.200 -0.027 0.000 0.790 104 S HN 0.490 nan 8.310 nan 0.000 0.504 105 I N 3.102 123.675 120.570 0.005 0.000 2.742 105 I HA -0.046 4.125 4.170 0.001 0.000 0.287 105 I C 0.383 176.540 176.117 0.067 0.000 1.186 105 I CA 0.397 61.724 61.300 0.045 0.000 1.417 105 I CB 0.289 38.317 38.000 0.046 0.000 1.377 105 I HN -0.139 nan 8.210 nan 0.000 0.556 106 K N 5.772 126.221 120.400 0.082 0.000 2.201 106 K HA 0.572 4.893 4.320 0.001 0.000 0.278 106 K C 0.476 177.093 176.600 0.029 0.000 1.027 106 K CA 0.036 56.349 56.287 0.043 0.000 0.909 106 K CB 1.446 33.957 32.500 0.017 0.000 1.062 106 K HN 0.926 nan 8.250 nan 0.000 0.465 107 G N 1.839 110.608 108.800 -0.051 0.000 2.632 107 G HA2 -0.307 3.654 3.960 0.001 0.000 0.224 107 G HA3 -0.307 3.654 3.960 0.001 0.000 0.224 107 G C -0.585 174.264 174.900 -0.085 0.000 1.341 107 G CA -0.144 44.823 45.100 -0.220 0.000 0.880 107 G HN 0.641 nan 8.290 nan 0.000 0.566 108 Y N -1.098 119.199 120.300 -0.005 0.000 3.152 108 Y HA -0.065 4.486 4.550 0.001 0.000 0.212 108 Y C 2.274 178.176 175.900 0.004 0.000 1.198 108 Y CA 2.061 60.159 58.100 -0.003 0.000 1.220 108 Y CB -1.757 36.701 38.460 -0.004 0.000 1.326 108 Y HN 2.684 nan 8.280 nan 0.000 0.562 109 G N -2.562 106.284 108.800 0.076 0.000 2.155 109 G HA2 -0.347 3.614 3.960 0.001 0.000 0.257 109 G HA3 -0.347 3.614 3.960 0.001 0.000 0.257 109 G C 0.227 175.165 174.900 0.065 0.000 0.983 109 G CA -0.103 45.035 45.100 0.062 0.000 0.676 109 G HN 0.698 nan 8.290 nan 0.000 0.528 110 C N 0.536 119.879 119.300 0.071 0.000 2.351 110 C HA 0.622 5.083 4.460 0.001 0.000 0.359 110 C C 0.214 175.224 174.990 0.033 0.000 1.193 110 C CA -0.512 58.542 59.018 0.059 0.000 2.270 110 C CB 1.470 29.255 27.740 0.074 0.000 2.369 110 C HN 0.365 nan 8.230 nan 0.000 0.553 111 P HA 0.110 nan 4.420 nan 0.000 0.231 111 P C 0.766 178.070 177.300 0.006 0.000 1.168 111 P CA 1.302 64.410 63.100 0.013 0.000 0.779 111 P CB 0.037 31.744 31.700 0.011 0.000 0.844 112 G N 0.902 109.707 108.800 0.007 0.000 2.338 112 G HA2 -0.248 3.713 3.960 0.001 0.000 0.296 112 G HA3 -0.248 3.713 3.960 0.001 0.000 0.296 112 G C -0.026 174.871 174.900 -0.005 0.000 1.040 112 G CA -0.078 45.024 45.100 0.003 0.000 1.004 112 G HN 0.294 nan 8.290 nan 0.000 0.509 113 L N 0.354 121.569 121.223 -0.013 0.000 2.472 113 L HA 0.461 4.802 4.340 0.001 0.000 0.260 113 L C 1.672 178.526 176.870 -0.026 0.000 1.209 113 L CA -0.134 54.693 54.840 -0.023 0.000 0.817 113 L CB 0.550 42.586 42.059 -0.038 0.000 1.106 113 L HN 0.524 nan 8.230 nan 0.000 0.479 114 S N 0.554 116.236 115.700 -0.029 0.000 2.606 114 S HA 0.166 4.637 4.470 0.001 0.000 0.257 114 S C 1.275 175.839 174.600 -0.060 0.000 1.327 114 S CA -0.750 57.433 58.200 -0.029 0.000 0.984 114 S CB 0.710 63.897 63.200 -0.022 0.000 0.941 114 S HN 0.422 nan 8.310 nan 0.000 0.576 115 I N 0.990 121.531 120.570 -0.048 0.000 2.226 115 I HA -0.121 4.050 4.170 0.001 0.000 0.245 115 I C 2.533 178.530 176.117 -0.199 0.000 1.100 115 I CA 1.460 62.702 61.300 -0.097 0.000 1.374 115 I CB -2.582 35.415 38.000 -0.005 0.000 1.057 115 I HN 0.698 nan 8.210 nan 0.000 0.413 116 T N 1.513 115.963 114.554 -0.174 0.000 2.821 116 T HA -0.018 4.332 4.350 0.001 0.000 0.267 116 T C 2.145 176.681 174.700 -0.275 0.000 1.046 116 T CA 1.300 63.247 62.100 -0.255 0.000 1.139 116 T CB -0.305 68.504 68.868 -0.099 0.000 0.871 116 T HN 0.433 nan 8.240 nan 0.000 0.454 117 A N 2.153 124.879 122.820 -0.156 0.000 1.892 117 A HA -0.221 4.100 4.320 0.001 0.000 0.218 117 A C 2.211 179.687 177.584 -0.180 0.000 1.188 117 A CA 1.932 53.893 52.037 -0.127 0.000 0.631 117 A CB -0.870 18.088 19.000 -0.070 0.000 0.822 117 A HN 0.588 nan 8.150 nan 0.000 0.447 118 N N -0.608 117.970 118.700 -0.205 0.000 2.354 118 N HA -0.009 4.732 4.740 0.001 0.000 0.179 118 N C 1.901 177.223 175.510 -0.312 0.000 1.021 118 N CA 0.814 53.740 53.050 -0.205 0.000 0.887 118 N CB -0.119 38.265 38.487 -0.171 0.000 0.974 118 N HN 0.440 nan 8.380 nan 0.000 0.437 119 A N 1.372 123.871 122.820 -0.535 0.000 1.841 119 A HA -0.126 4.194 4.320 0.001 0.000 0.214 119 A C 2.099 179.128 177.584 -0.924 0.000 1.195 119 A CA 0.879 52.301 52.037 -1.025 0.000 0.611 119 A CB -0.690 17.223 19.000 -1.812 0.000 0.835 119 A HN 0.315 nan 8.150 nan 0.000 0.443 120 I N -0.150 119.953 120.570 -0.779 0.000 2.286 120 I HA -0.169 4.001 4.170 0.001 0.000 0.248 120 I C 2.601 178.650 176.117 -0.114 0.000 1.115 120 I CA 1.305 62.393 61.300 -0.353 0.000 1.392 120 I CB -0.377 37.529 38.000 -0.156 0.000 1.065 120 I HN 0.316 nan 8.210 nan 0.000 0.418 121 A N -0.655 122.086 122.820 -0.132 0.000 1.865 121 A HA -0.260 4.061 4.320 0.001 0.000 0.217 121 A C 2.363 179.932 177.584 -0.025 0.000 1.191 121 A CA 2.669 54.671 52.037 -0.058 0.000 0.623 121 A CB -1.517 17.443 19.000 -0.066 0.000 0.826 121 A HN 0.459 nan 8.150 nan 0.000 0.444 122 T N 0.393 114.917 114.554 -0.050 0.000 2.665 122 T HA -0.142 4.208 4.350 0.001 0.000 0.268 122 T C 2.173 176.933 174.700 0.099 0.000 1.035 122 T CA 2.032 64.145 62.100 0.022 0.000 1.151 122 T CB -0.535 68.345 68.868 0.020 0.000 0.862 122 T HN 0.646 nan 8.240 nan 0.000 0.438 123 A N 1.440 124.349 122.820 0.149 0.000 1.898 123 A HA -0.088 4.233 4.320 0.001 0.000 0.216 123 A C 2.328 180.016 177.584 0.173 0.000 1.181 123 A CA 1.161 53.347 52.037 0.248 0.000 0.620 123 A CB -0.318 18.950 19.000 0.447 0.000 0.819 123 A HN 0.332 nan 8.150 nan 0.000 0.442 124 E N -0.023 120.251 120.200 0.124 0.000 2.150 124 E HA -0.103 4.248 4.350 0.001 0.000 0.193 124 E C 1.942 178.561 176.600 0.031 0.000 0.985 124 E CA 0.901 57.351 56.400 0.084 0.000 0.814 124 E CB -0.349 29.389 29.700 0.064 0.000 0.752 124 E HN 0.743 nan 8.360 nan 0.000 0.466 125 I N 1.216 121.808 120.570 0.036 0.000 2.163 125 I HA -0.233 3.938 4.170 0.001 0.000 0.240 125 I C 2.541 178.679 176.117 0.034 0.000 1.081 125 I CA 1.215 62.528 61.300 0.021 0.000 1.353 125 I CB -0.417 37.610 38.000 0.045 0.000 1.054 125 I HN -0.022 nan 8.210 nan 0.000 0.407 126 A N 0.598 123.465 122.820 0.078 0.000 1.940 126 A HA -0.252 4.069 4.320 0.001 0.000 0.219 126 A C 2.439 180.076 177.584 0.089 0.000 1.176 126 A CA 1.684 53.779 52.037 0.098 0.000 0.631 126 A CB -0.735 18.341 19.000 0.127 0.000 0.814 126 A HN 0.347 nan 8.150 nan 0.000 0.446 127 R N -0.635 119.921 120.500 0.093 0.000 2.117 127 R HA -0.130 4.211 4.340 0.001 0.000 0.243 127 R C 1.771 178.116 176.300 0.075 0.000 1.143 127 R CA 1.979 58.156 56.100 0.128 0.000 0.968 127 R CB -0.224 30.166 30.300 0.151 0.000 0.863 127 R HN 0.387 nan 8.270 nan 0.000 0.444 128 V N -0.828 119.006 119.914 -0.133 0.000 2.492 128 V HA 0.005 4.125 4.120 0.001 0.000 0.241 128 V C 0.115 176.162 176.094 -0.079 0.000 1.041 128 V CA 1.173 63.279 62.300 -0.324 0.000 1.057 128 V CB 0.037 31.531 31.823 -0.548 0.000 0.711 128 V HN 0.299 nan 8.190 nan 0.000 0.468 129 D N -1.965 118.415 120.400 -0.033 0.000 2.890 129 D HA 0.569 5.210 4.640 0.001 0.000 0.233 129 D C 0.462 176.812 176.300 0.083 0.000 1.306 129 D CA 0.329 54.344 54.000 0.026 0.000 0.929 129 D CB 1.879 42.687 40.800 0.013 0.000 1.512 129 D HN 0.103 nan 8.370 nan 0.000 0.568 130 A N 2.211 125.103 122.820 0.119 0.000 2.014 130 A HA -0.045 4.276 4.320 0.001 0.000 0.218 130 A C 1.970 179.684 177.584 0.216 0.000 1.163 130 A CA 1.214 53.348 52.037 0.161 0.000 0.652 130 A CB -0.207 18.887 19.000 0.157 0.000 0.808 130 A HN 0.494 nan 8.150 nan 0.000 0.449 131 S N -0.805 115.044 115.700 0.249 0.000 2.355 131 S HA -0.177 4.294 4.470 0.001 0.000 0.222 131 S C 1.952 176.722 174.600 0.283 0.000 1.031 131 S CA 1.376 59.746 58.200 0.284 0.000 0.993 131 S CB -0.619 62.761 63.200 0.301 0.000 0.859 131 S HN 0.737 nan 8.310 nan 0.000 0.453 132 C N 0.986 120.406 119.300 0.199 0.000 2.413 132 C HA -0.068 4.393 4.460 0.001 0.000 0.276 132 C C 3.183 178.339 174.990 0.277 0.000 1.248 132 C CA 1.119 60.263 59.018 0.211 0.000 1.742 132 C CB -1.400 26.381 27.740 0.068 0.000 2.017 132 C HN 0.668 nan 8.230 nan 0.000 0.481 133 S N 0.251 116.071 115.700 0.199 0.000 2.343 133 S HA -0.185 4.286 4.470 0.001 0.000 0.219 133 S C 1.900 176.608 174.600 0.181 0.000 1.033 133 S CA 2.436 60.736 58.200 0.166 0.000 1.014 133 S CB -0.592 62.695 63.200 0.146 0.000 0.915 133 S HN 0.664 nan 8.310 nan 0.000 0.435 134 T N 1.865 116.554 114.554 0.225 0.000 2.737 134 T HA -0.110 4.241 4.350 0.001 0.000 0.269 134 T C 1.342 176.157 174.700 0.192 0.000 1.040 134 T CA 1.597 63.822 62.100 0.209 0.000 1.142 134 T CB -0.629 68.409 68.868 0.283 0.000 0.861 134 T HN 0.540 nan 8.240 nan 0.000 0.456 135 F N 2.133 122.171 119.950 0.148 0.000 2.046 135 F HA -0.132 4.396 4.527 0.001 0.000 0.297 135 F C 1.966 177.836 175.800 0.118 0.000 1.123 135 F CA 1.137 59.227 58.000 0.151 0.000 1.199 135 F CB -0.541 38.631 39.000 0.286 0.000 0.972 135 F HN 0.011 nan 8.300 nan 0.000 0.474 136 I N 0.453 120.936 120.570 -0.146 0.000 2.179 136 I HA -0.268 3.903 4.170 0.001 0.000 0.242 136 I C 2.633 178.676 176.117 -0.123 0.000 1.088 136 I CA 1.402 62.561 61.300 -0.235 0.000 1.357 136 I CB -1.461 36.527 38.000 -0.020 0.000 1.051 136 I HN 0.341 nan 8.210 nan 0.000 0.409 137 L N 0.204 121.390 121.223 -0.062 0.000 2.012 137 L HA -0.216 4.125 4.340 0.001 0.000 0.210 137 L C 2.560 179.338 176.870 -0.154 0.000 1.073 137 L CA 1.322 56.110 54.840 -0.087 0.000 0.748 137 L CB -0.155 41.880 42.059 -0.039 0.000 0.891 137 L HN -0.057 nan 8.230 nan 0.000 0.431 138 V N -0.703 119.125 119.914 -0.142 0.000 2.427 138 V HA -0.315 3.806 4.120 0.001 0.000 0.248 138 V C 2.381 178.390 176.094 -0.141 0.000 1.051 138 V CA 2.070 64.275 62.300 -0.157 0.000 1.048 138 V CB -0.611 31.157 31.823 -0.091 0.000 0.666 138 V HN 0.691 nan 8.190 nan 0.000 0.456 139 H N -0.948 117.958 119.070 -0.274 0.000 2.333 139 H HA -0.100 4.457 4.556 0.001 0.000 0.302 139 H C 2.495 177.699 175.328 -0.206 0.000 1.075 139 H CA 2.252 58.133 56.048 -0.278 0.000 1.348 139 H CB 0.054 29.529 29.762 -0.479 0.000 1.393 139 H HN 0.359 nan 8.280 nan 0.000 0.509 140 S N -1.334 114.231 115.700 -0.226 0.000 2.370 140 S HA 0.026 4.496 4.470 0.001 0.000 0.214 140 S C 2.140 176.604 174.600 -0.225 0.000 1.033 140 S CA 0.658 58.718 58.200 -0.233 0.000 0.941 140 S CB -0.337 62.817 63.200 -0.076 0.000 0.886 140 S HN 0.465 nan 8.310 nan 0.000 0.521 141 S N 0.986 116.560 115.700 -0.211 0.000 2.515 141 S HA 0.257 4.727 4.470 0.001 0.000 0.231 141 S C 1.360 175.753 174.600 -0.346 0.000 0.987 141 S CA 0.502 58.557 58.200 -0.242 0.000 0.936 141 S CB -0.103 62.967 63.200 -0.217 0.000 0.766 141 S HN 0.378 nan 8.310 nan 0.000 0.528 142 L N -0.859 120.119 121.223 -0.409 0.000 2.614 142 L HA 0.297 4.638 4.340 0.001 0.000 0.185 142 L C 2.547 179.188 176.870 -0.382 0.000 1.098 142 L CA 0.632 55.060 54.840 -0.687 0.000 0.852 142 L CB -1.001 40.469 42.059 -0.981 0.000 1.213 142 L HN 0.324 nan 8.230 nan 0.000 0.491 143 G N 0.352 109.038 108.800 -0.190 0.000 2.524 143 G HA2 -0.239 3.722 3.960 0.001 0.000 0.215 143 G HA3 -0.239 3.722 3.960 0.001 0.000 0.215 143 G C 1.505 176.330 174.900 -0.124 0.000 1.239 143 G CA 0.781 45.854 45.100 -0.046 0.000 0.798 143 G HN 0.085 nan 8.290 nan 0.000 0.557 144 M N -0.342 119.106 119.600 -0.254 0.000 2.108 144 M HA -0.018 4.463 4.480 0.001 0.000 0.261 144 M C 2.518 178.732 176.300 -0.144 0.000 1.066 144 M CA 0.953 56.122 55.300 -0.218 0.000 1.107 144 M CB -0.380 32.055 32.600 -0.276 0.000 1.356 144 M HN 0.235 nan 8.290 nan 0.000 0.406 145 L N 0.199 121.333 121.223 -0.148 0.000 2.083 145 L HA -0.133 4.207 4.340 0.001 0.000 0.209 145 L C 2.304 179.134 176.870 -0.066 0.000 1.083 145 L CA 1.901 56.672 54.840 -0.114 0.000 0.752 145 L CB -0.836 41.133 42.059 -0.149 0.000 0.899 145 L HN 0.224 nan 8.230 nan 0.000 0.433 146 T N -0.296 114.246 114.554 -0.019 0.000 2.788 146 T HA -0.144 4.207 4.350 0.001 0.000 0.268 146 T C 1.919 176.608 174.700 -0.018 0.000 1.044 146 T CA 1.920 64.061 62.100 0.069 0.000 1.139 146 T CB -0.280 68.755 68.868 0.279 0.000 0.867 146 T HN 0.329 nan 8.240 nan 0.000 0.454 147 I N 1.133 121.666 120.570 -0.063 0.000 2.286 147 I HA -0.069 4.101 4.170 0.001 0.000 0.245 147 I C 2.904 178.943 176.117 -0.130 0.000 1.104 147 I CA 0.849 62.090 61.300 -0.099 0.000 1.397 147 I CB -0.484 37.459 38.000 -0.096 0.000 1.072 147 I HN 0.167 nan 8.210 nan 0.000 0.417 148 A N 1.273 124.015 122.820 -0.130 0.000 1.858 148 A HA -0.143 4.178 4.320 0.001 0.000 0.216 148 A C 2.294 179.826 177.584 -0.087 0.000 1.190 148 A CA 1.500 53.452 52.037 -0.141 0.000 0.617 148 A CB -0.888 18.061 19.000 -0.084 0.000 0.827 148 A HN 0.369 nan 8.150 nan 0.000 0.443 149 L N -1.425 119.766 121.223 -0.053 0.000 2.156 149 L HA -0.137 4.204 4.340 0.001 0.000 0.208 149 L C 1.688 178.536 176.870 -0.035 0.000 1.095 149 L CA 0.942 55.764 54.840 -0.029 0.000 0.770 149 L CB -0.216 41.835 42.059 -0.013 0.000 0.914 149 L HN 0.531 nan 8.230 nan 0.000 0.439 150 C N -1.281 117.990 119.300 -0.048 0.000 3.491 150 C HA 0.373 4.834 4.460 0.001 0.000 0.298 150 C C 1.377 176.315 174.990 -0.086 0.000 1.424 150 C CA -0.791 58.192 59.018 -0.058 0.000 1.772 150 C CB -0.518 27.195 27.740 -0.045 0.000 2.447 150 C HN 0.403 nan 8.230 nan 0.000 0.670 151 G N 1.494 110.238 108.800 -0.095 0.000 2.580 151 G HA2 0.464 4.425 3.960 0.001 0.000 0.278 151 G HA3 0.464 4.425 3.960 0.001 0.000 0.278 151 G C 0.083 174.932 174.900 -0.085 0.000 1.212 151 G CA 0.205 45.246 45.100 -0.099 0.000 0.939 151 G HN 0.500 nan 8.290 nan 0.000 0.513 152 S N -0.581 115.078 115.700 -0.069 0.000 2.632 152 S HA 0.262 4.733 4.470 0.001 0.000 0.271 152 S C 0.958 175.520 174.600 -0.063 0.000 1.260 152 S CA -0.489 57.681 58.200 -0.049 0.000 1.010 152 S CB 1.788 64.970 63.200 -0.029 0.000 0.965 152 S HN 0.585 nan 8.310 nan 0.000 0.534 153 E N 1.341 121.524 120.200 -0.027 0.000 2.130 153 E HA -0.190 4.161 4.350 0.001 0.000 0.196 153 E C 2.295 178.892 176.600 -0.006 0.000 0.998 153 E CA 1.594 57.999 56.400 0.008 0.000 0.806 153 E CB -0.907 28.836 29.700 0.070 0.000 0.738 153 E HN 0.824 nan 8.360 nan 0.000 0.459 154 A N 1.899 124.709 122.820 -0.017 0.000 1.908 154 A HA -0.250 4.071 4.320 0.001 0.000 0.218 154 A C 2.168 179.702 177.584 -0.084 0.000 1.181 154 A CA 2.047 54.063 52.037 -0.036 0.000 0.627 154 A CB -0.557 18.426 19.000 -0.028 0.000 0.818 154 A HN 0.400 nan 8.150 nan 0.000 0.445 155 Q N -0.805 118.954 119.800 -0.068 0.000 2.269 155 Q HA 0.007 4.348 4.340 0.001 0.000 0.201 155 Q C 1.697 177.667 176.000 -0.052 0.000 0.946 155 Q CA 1.023 56.796 55.803 -0.050 0.000 0.877 155 Q CB -0.239 28.572 28.738 0.121 0.000 0.963 155 Q HN 0.607 nan 8.270 nan 0.000 0.472 156 K N 1.138 121.446 120.400 -0.154 0.000 2.026 156 K HA -0.117 4.204 4.320 0.001 0.000 0.208 156 K C 2.155 178.631 176.600 -0.207 0.000 1.048 156 K CA 1.659 57.737 56.287 -0.348 0.000 0.929 156 K CB 0.034 32.026 32.500 -0.847 0.000 0.713 156 K HN 0.134 nan 8.250 nan 0.000 0.439 157 E N 0.884 121.056 120.200 -0.046 0.000 2.204 157 E HA -0.149 4.202 4.350 0.001 0.000 0.194 157 E C 1.817 178.397 176.600 -0.033 0.000 0.989 157 E CA 1.031 57.488 56.400 0.095 0.000 0.824 157 E CB -0.007 29.755 29.700 0.104 0.000 0.756 157 E HN 0.327 nan 8.360 nan 0.000 0.477 158 K N -1.278 119.014 120.400 -0.180 0.000 2.137 158 K HA -0.010 4.311 4.320 0.001 0.000 0.202 158 K C 1.643 178.022 176.600 -0.369 0.000 1.052 158 K CA 1.103 57.168 56.287 -0.369 0.000 0.961 158 K CB 0.043 32.139 32.500 -0.674 0.000 0.741 158 K HN 0.396 nan 8.250 nan 0.000 0.452 159 Y N -0.128 120.159 120.300 -0.021 0.000 2.558 159 Y HA 0.110 4.661 4.550 0.001 0.000 0.273 159 Y C 1.901 177.792 175.900 -0.015 0.000 1.100 159 Y CA -0.246 57.840 58.100 -0.023 0.000 1.276 159 Y CB 0.293 38.722 38.460 -0.050 0.000 1.196 159 Y HN -0.113 nan 8.280 nan 0.000 0.527 160 L N 0.464 121.751 121.223 0.107 0.000 2.017 160 L HA -0.121 4.220 4.340 0.001 0.000 0.208 160 L C -0.645 176.282 176.870 0.095 0.000 1.073 160 L CA 1.252 56.133 54.840 0.069 0.000 0.745 160 L CB -1.707 40.367 42.059 0.025 0.000 0.894 160 L HN 0.146 nan 8.230 nan 0.000 0.432 161 P HA -0.205 nan 4.420 nan 0.000 0.215 161 P C 1.926 179.282 177.300 0.094 0.000 1.157 161 P CA 1.727 64.884 63.100 0.095 0.000 0.874 161 P CB 0.041 31.788 31.700 0.078 0.000 0.790 162 S N -1.556 114.204 115.700 0.100 0.000 2.383 162 S HA -0.086 4.385 4.470 0.001 0.000 0.227 162 S C 1.765 176.451 174.600 0.143 0.000 1.026 162 S CA 0.698 58.965 58.200 0.112 0.000 0.981 162 S CB -0.861 62.408 63.200 0.115 0.000 0.818 162 S HN -0.130 nan 8.310 nan 0.000 0.472 163 L N 1.733 123.049 121.223 0.155 0.000 2.083 163 L HA 0.147 4.488 4.340 0.001 0.000 0.209 163 L C 2.680 179.709 176.870 0.265 0.000 1.083 163 L CA 1.721 56.690 54.840 0.215 0.000 0.752 163 L CB -1.472 40.632 42.059 0.075 0.000 0.899 163 L HN 0.402 nan 8.230 nan 0.000 0.433 164 A N -1.818 121.097 122.820 0.158 0.000 2.014 164 A HA -0.133 4.187 4.320 0.001 0.000 0.218 164 A C 2.013 179.672 177.584 0.125 0.000 1.163 164 A CA 0.837 52.957 52.037 0.139 0.000 0.652 164 A CB -0.229 18.826 19.000 0.091 0.000 0.808 164 A HN 0.403 nan 8.150 nan 0.000 0.449 165 Q N -0.997 118.873 119.800 0.116 0.000 2.425 165 Q HA 0.234 4.575 4.340 0.001 0.000 0.204 165 Q C 0.495 176.554 176.000 0.098 0.000 0.933 165 Q CA 0.155 56.014 55.803 0.094 0.000 0.939 165 Q CB -0.008 28.780 28.738 0.083 0.000 1.044 165 Q HN 0.691 nan 8.270 nan 0.000 0.513 166 L N 0.617 121.907 121.223 0.111 0.000 4.429 166 L HA -0.321 4.020 4.340 0.001 0.000 0.422 166 L C 0.774 177.723 176.870 0.131 0.000 1.149 166 L CA 0.217 55.106 54.840 0.082 0.000 0.972 166 L CB -1.320 40.779 42.059 0.066 0.000 2.059 166 L HN 0.242 nan 8.230 nan 0.000 0.870 167 N N 0.009 118.786 118.700 0.128 0.000 2.459 167 N HA -0.010 4.731 4.740 0.001 0.000 0.181 167 N C 0.833 176.429 175.510 0.144 0.000 1.046 167 N CA 1.508 54.633 53.050 0.126 0.000 0.904 167 N CB 0.125 38.673 38.487 0.102 0.000 0.964 167 N HN 0.692 nan 8.380 nan 0.000 0.444 168 T N -2.203 112.449 114.554 0.162 0.000 2.906 168 T HA 0.628 4.978 4.350 0.001 0.000 0.295 168 T C -0.363 174.463 174.700 0.210 0.000 1.061 168 T CA -0.834 61.369 62.100 0.172 0.000 1.000 168 T CB 2.568 71.527 68.868 0.152 0.000 1.103 168 T HN -0.276 nan 8.240 nan 0.000 0.486 169 V N 1.288 121.314 119.914 0.188 0.000 2.495 169 V HA 0.805 4.926 4.120 0.001 0.000 0.298 169 V C 0.354 176.516 176.094 0.114 0.000 1.031 169 V CA -0.911 61.500 62.300 0.185 0.000 0.871 169 V CB 1.271 33.195 31.823 0.168 0.000 0.988 169 V HN 1.323 nan 8.190 nan 0.000 0.432 170 A N 3.511 126.461 122.820 0.218 0.000 2.294 170 A HA 0.925 5.246 4.320 0.001 0.000 0.330 170 A C -0.063 177.503 177.584 -0.031 0.000 1.133 170 A CA -0.272 51.765 52.037 0.001 0.000 0.836 170 A CB 1.269 20.196 19.000 -0.121 0.000 1.190 170 A HN 1.441 nan 8.150 nan 0.000 0.492 171 C N -2.177 117.098 119.300 -0.041 0.000 3.285 171 C HA 0.906 5.367 4.460 0.001 0.000 0.320 171 C C -1.417 173.646 174.990 0.121 0.000 1.411 171 C CA -1.001 58.025 59.018 0.013 0.000 1.429 171 C CB 0.625 28.339 27.740 -0.043 0.000 1.812 171 C HN 1.078 nan 8.230 nan 0.000 0.454 172 W N 1.486 122.756 121.300 -0.050 0.000 2.631 172 W HA 0.620 5.281 4.660 0.001 0.000 0.321 172 W C -0.523 176.042 176.519 0.076 0.000 1.004 172 W CA -0.270 57.085 57.345 0.016 0.000 1.291 172 W CB 1.451 30.918 29.460 0.013 0.000 1.300 172 W HN 1.133 nan 8.180 nan 0.000 0.422 173 A N 6.213 128.977 122.820 -0.094 0.000 2.322 173 A HA 0.491 4.812 4.320 0.001 0.000 0.327 173 A C -0.432 177.097 177.584 -0.091 0.000 1.394 173 A CA -0.268 51.739 52.037 -0.050 0.000 0.921 173 A CB 0.761 19.735 19.000 -0.044 0.000 1.153 173 A HN 0.775 nan 8.150 nan 0.000 0.523 174 L N 2.582 123.735 121.223 -0.116 0.000 2.519 174 L HA 0.265 4.606 4.340 0.001 0.000 0.194 174 L C 1.186 178.041 176.870 -0.026 0.000 1.072 174 L CA 1.559 56.300 54.840 -0.165 0.000 0.845 174 L CB -0.254 41.587 42.059 -0.363 0.000 1.138 174 L HN 0.488 nan 8.230 nan 0.000 0.487 175 T N 2.556 117.142 114.554 0.054 0.000 2.932 175 T HA 0.275 4.626 4.350 0.001 0.000 0.312 175 T C -0.201 174.547 174.700 0.080 0.000 1.071 175 T CA -0.064 62.092 62.100 0.093 0.000 1.128 175 T CB 0.161 69.140 68.868 0.185 0.000 0.984 175 T HN 0.457 nan 8.240 nan 0.000 0.549 176 E N 1.805 122.046 120.200 0.069 0.000 2.446 176 E HA 0.331 4.682 4.350 0.001 0.000 0.276 176 E C -2.590 174.048 176.600 0.063 0.000 0.969 176 E CA -2.314 54.116 56.400 0.050 0.000 0.800 176 E CB 1.079 30.788 29.700 0.015 0.000 1.341 176 E HN 0.125 nan 8.360 nan 0.000 0.460 177 P HA -0.189 nan 4.420 nan 0.000 0.216 177 P C 0.267 177.594 177.300 0.045 0.000 1.154 177 P CA 1.508 64.634 63.100 0.043 0.000 0.865 177 P CB 0.104 31.812 31.700 0.013 0.000 0.789 178 D N -2.155 118.261 120.400 0.025 0.000 2.350 178 D HA 0.051 4.692 4.640 0.001 0.000 0.213 178 D C -0.172 176.134 176.300 0.009 0.000 1.031 178 D CA 0.514 54.523 54.000 0.016 0.000 0.861 178 D CB -0.417 40.385 40.800 0.003 0.000 0.926 178 D HN 0.252 nan 8.370 nan 0.000 0.520 179 N N -0.818 117.890 118.700 0.013 0.000 2.577 179 N HA 0.463 5.204 4.740 0.001 0.000 0.275 179 N C 0.393 175.915 175.510 0.020 0.000 1.091 179 N CA -0.372 52.675 53.050 -0.006 0.000 0.843 179 N CB 2.282 40.744 38.487 -0.042 0.000 1.295 179 N HN -0.041 nan 8.380 nan 0.000 0.530 180 G N -0.059 108.759 108.800 0.030 0.000 2.732 180 G HA2 -0.028 3.933 3.960 0.001 0.000 0.206 180 G HA3 -0.028 3.933 3.960 0.001 0.000 0.206 180 G C 0.973 175.889 174.900 0.026 0.000 1.253 180 G CA 0.073 45.206 45.100 0.054 0.000 0.796 180 G HN 0.403 nan 8.290 nan 0.000 0.616 181 S N 0.622 116.331 115.700 0.016 0.000 2.362 181 S HA -0.008 4.463 4.470 0.001 0.000 0.221 181 S C 0.980 175.553 174.600 -0.045 0.000 1.032 181 S CA 0.673 58.877 58.200 0.005 0.000 0.973 181 S CB -0.114 63.102 63.200 0.027 0.000 0.849 181 S HN 0.349 nan 8.310 nan 0.000 0.465 182 D N 1.403 121.766 120.400 -0.062 0.000 2.545 182 D HA 0.437 5.077 4.640 0.001 0.000 0.227 182 D C 0.707 176.901 176.300 -0.177 0.000 1.150 182 D CA -0.073 53.848 54.000 -0.131 0.000 1.046 182 D CB 0.247 40.990 40.800 -0.095 0.000 1.098 182 D HN 0.208 nan 8.370 nan 0.000 0.502 183 A N 1.790 124.472 122.820 -0.231 0.000 1.975 183 A HA -0.076 4.245 4.320 0.001 0.000 0.215 183 A C 2.174 179.418 177.584 -0.568 0.000 1.170 183 A CA 0.841 52.722 52.037 -0.259 0.000 0.656 183 A CB -0.324 18.624 19.000 -0.087 0.000 0.821 183 A HN 0.449 nan 8.150 nan 0.000 0.449 184 S N -0.204 114.875 115.700 -1.035 0.000 2.407 184 S HA -0.126 4.344 4.470 0.001 0.000 0.235 184 S C 1.567 175.835 174.600 -0.553 0.000 1.036 184 S CA 1.733 59.165 58.200 -1.281 0.000 1.013 184 S CB -0.392 62.208 63.200 -1.000 0.000 0.820 184 S HN 0.737 nan 8.310 nan 0.000 0.476 185 G N 1.032 109.619 108.800 -0.355 0.000 3.605 185 G HA2 0.414 4.374 3.960 0.001 0.000 0.277 185 G HA3 0.414 4.374 3.960 0.001 0.000 0.277 185 G C 0.153 174.973 174.900 -0.132 0.000 1.093 185 G CA -0.271 44.711 45.100 -0.197 0.000 0.821 185 G HN 0.557 nan 8.290 nan 0.000 0.532 186 L N -1.848 119.293 121.223 -0.137 0.000 2.516 186 L HA 0.577 4.918 4.340 0.001 0.000 0.288 186 L C 1.088 177.930 176.870 -0.047 0.000 1.246 186 L CA 0.692 55.486 54.840 -0.077 0.000 0.844 186 L CB 0.527 42.549 42.059 -0.062 0.000 1.106 186 L HN -0.090 nan 8.230 nan 0.000 0.509 187 G N 0.491 109.272 108.800 -0.031 0.000 3.192 187 G HA2 0.154 4.115 3.960 0.001 0.000 0.239 187 G HA3 0.154 4.115 3.960 0.001 0.000 0.239 187 G C 0.333 175.222 174.900 -0.017 0.000 1.084 187 G CA 0.124 45.211 45.100 -0.022 0.000 0.784 187 G HN 0.730 nan 8.290 nan 0.000 0.540 188 T N 1.747 116.290 114.554 -0.018 0.000 2.916 188 T HA 0.416 4.767 4.350 0.001 0.000 0.303 188 T C 0.573 175.256 174.700 -0.029 0.000 1.025 188 T CA 0.270 62.354 62.100 -0.027 0.000 1.142 188 T CB 1.335 70.185 68.868 -0.030 0.000 0.947 188 T HN 0.298 nan 8.240 nan 0.000 0.544 189 T N -1.152 113.376 114.554 -0.043 0.000 2.885 189 T HA 0.724 5.074 4.350 0.001 0.000 0.285 189 T C -0.693 173.955 174.700 -0.087 0.000 1.019 189 T CA -1.137 60.943 62.100 -0.034 0.000 1.010 189 T CB 1.768 70.632 68.868 -0.006 0.000 1.022 189 T HN 0.724 nan 8.240 nan 0.000 0.466 190 A N 2.411 125.194 122.820 -0.063 0.000 2.363 190 A HA 0.641 4.962 4.320 0.001 0.000 0.296 190 A C 0.130 177.869 177.584 0.259 0.000 1.237 190 A CA -0.762 51.218 52.037 -0.094 0.000 0.773 190 A CB 0.637 19.340 19.000 -0.494 0.000 1.153 190 A HN 0.846 nan 8.150 nan 0.000 0.473 191 T N 2.202 116.895 114.554 0.232 0.000 2.767 191 T HA 0.300 4.651 4.350 0.001 0.000 0.288 191 T C 0.193 174.978 174.700 0.141 0.000 0.963 191 T CA -0.179 62.038 62.100 0.194 0.000 1.019 191 T CB 0.770 69.684 68.868 0.077 0.000 0.923 191 T HN 0.569 nan 8.240 nan 0.000 0.468 192 K N 3.354 123.697 120.400 -0.095 0.000 2.378 192 K HA 0.398 4.718 4.320 0.001 0.000 0.288 192 K C -0.633 175.789 176.600 -0.297 0.000 1.057 192 K CA -0.126 55.812 56.287 -0.582 0.000 0.971 192 K CB -0.028 32.047 32.500 -0.708 0.000 0.975 192 K HN 0.366 nan 8.250 nan 0.000 0.475 193 V N 2.533 122.290 119.914 -0.262 0.000 3.113 193 V HA 0.589 4.709 4.120 0.001 0.000 0.316 193 V C -0.626 175.401 176.094 -0.113 0.000 1.125 193 V CA -0.204 62.023 62.300 -0.121 0.000 1.026 193 V CB 1.716 33.525 31.823 -0.023 0.000 1.080 193 V HN 0.925 nan 8.190 nan 0.000 0.444 194 E N 1.247 121.403 120.200 -0.074 0.000 2.480 194 E HA 0.405 4.756 4.350 0.001 0.000 0.258 194 E C 1.254 177.862 176.600 0.012 0.000 0.984 194 E CA 0.548 56.916 56.400 -0.054 0.000 0.930 194 E CB -0.198 29.466 29.700 -0.059 0.000 0.936 194 E HN 2.352 nan 8.360 nan 0.000 0.466 195 G N 1.038 109.861 108.800 0.039 0.000 2.284 195 G HA2 0.062 4.023 3.960 0.001 0.000 0.247 195 G HA3 0.062 4.023 3.960 0.001 0.000 0.247 195 G C 1.078 176.119 174.900 0.236 0.000 1.012 195 G CA 1.136 46.329 45.100 0.154 0.000 0.618 195 G HN 2.096 nan 8.290 nan 0.000 0.521 196 G N -1.813 107.106 108.800 0.198 0.000 2.637 196 G HA2 0.489 4.450 3.960 0.001 0.000 0.112 196 G HA3 0.489 4.450 3.960 0.001 0.000 0.112 196 G C -1.670 173.125 174.900 -0.174 0.000 1.181 196 G CA 0.122 45.255 45.100 0.055 0.000 1.150 196 G HN 0.816 nan 8.290 nan 0.000 0.561 197 W N 0.326 121.619 121.300 -0.012 0.000 3.107 197 W HA 0.742 5.403 4.660 0.001 0.000 0.331 197 W C -0.440 176.054 176.519 -0.042 0.000 1.204 197 W CA -0.668 56.648 57.345 -0.050 0.000 1.184 197 W CB 2.117 31.459 29.460 -0.196 0.000 1.421 197 W HN 0.230 nan 8.180 nan 0.000 0.544 198 K N 3.044 123.561 120.400 0.196 0.000 2.425 198 K HA 0.435 4.756 4.320 0.001 0.000 0.259 198 K C -0.689 175.901 176.600 -0.017 0.000 0.978 198 K CA -0.684 55.667 56.287 0.106 0.000 0.883 198 K CB 1.109 33.681 32.500 0.121 0.000 1.110 198 K HN 0.235 nan 8.250 nan 0.000 0.436 199 I N 2.686 123.194 120.570 -0.103 0.000 2.395 199 I HA 0.234 4.405 4.170 0.001 0.000 0.289 199 I C -0.060 176.002 176.117 -0.092 0.000 1.023 199 I CA -0.317 60.876 61.300 -0.179 0.000 1.350 199 I CB 0.759 38.600 38.000 -0.265 0.000 1.409 199 I HN 0.513 nan 8.210 nan 0.000 0.507 200 N N 3.947 122.599 118.700 -0.080 0.000 2.310 200 N HA 0.738 5.479 4.740 0.001 0.000 0.292 200 N C -0.118 175.365 175.510 -0.045 0.000 1.049 200 N CA -0.100 52.923 53.050 -0.046 0.000 0.849 200 N CB 2.871 41.342 38.487 -0.027 0.000 1.532 200 N HN 0.969 nan 8.380 nan 0.000 0.479 201 G N 0.690 109.468 108.800 -0.036 0.000 2.325 201 G HA2 0.057 4.018 3.960 0.001 0.000 0.285 201 G HA3 0.057 4.018 3.960 0.001 0.000 0.285 201 G C -1.991 172.891 174.900 -0.030 0.000 1.303 201 G CA -0.741 44.341 45.100 -0.031 0.000 0.970 201 G HN 0.540 nan 8.290 nan 0.000 0.490 202 Q N -0.506 119.279 119.800 -0.025 0.000 2.389 202 Q HA 0.687 5.027 4.340 0.001 0.000 0.277 202 Q C -1.294 174.696 176.000 -0.017 0.000 1.082 202 Q CA -0.983 54.806 55.803 -0.023 0.000 0.810 202 Q CB 1.778 30.503 28.738 -0.021 0.000 1.374 202 Q HN 0.399 nan 8.270 nan 0.000 0.422 203 K N 2.181 122.571 120.400 -0.017 0.000 2.426 203 K HA 0.551 4.871 4.320 0.001 0.000 0.251 203 K C -1.318 175.280 176.600 -0.004 0.000 0.941 203 K CA -0.671 55.615 56.287 -0.001 0.000 0.808 203 K CB 2.373 34.871 32.500 -0.003 0.000 1.265 203 K HN 0.682 nan 8.250 nan 0.000 0.432 204 R N 0.314 120.833 120.500 0.033 0.000 2.686 204 R HA 0.316 4.657 4.340 0.001 0.000 0.283 204 R C -0.760 175.636 176.300 0.160 0.000 0.978 204 R CA -0.210 55.883 56.100 -0.012 0.000 0.897 204 R CB 0.894 31.158 30.300 -0.061 0.000 1.192 204 R HN 0.779 nan 8.270 nan 0.000 0.457 205 W N 2.154 123.481 121.300 0.045 0.000 2.025 205 W HA -0.193 4.467 4.660 0.001 0.000 0.270 205 W C -0.649 175.906 176.519 0.061 0.000 1.076 205 W CA -0.318 57.065 57.345 0.063 0.000 0.477 205 W CB -1.364 28.144 29.460 0.080 0.000 2.104 205 W HN 0.369 nan 8.180 nan 0.000 1.210 206 I N 1.615 122.314 120.570 0.215 0.000 2.421 206 I HA 0.336 4.507 4.170 0.001 0.000 0.291 206 I C 1.410 177.603 176.117 0.126 0.000 1.089 206 I CA 0.745 62.140 61.300 0.158 0.000 1.354 206 I CB 0.091 38.148 38.000 0.093 0.000 1.413 206 I HN 0.018 nan 8.210 nan 0.000 0.513 207 G N 4.312 113.191 108.800 0.131 0.000 2.442 207 G HA2 0.227 4.188 3.960 0.001 0.000 0.249 207 G HA3 0.227 4.188 3.960 0.001 0.000 0.249 207 G C 0.603 175.521 174.900 0.031 0.000 1.263 207 G CA -0.250 44.918 45.100 0.114 0.000 0.846 207 G HN 0.779 nan 8.290 nan 0.000 0.555 208 N N -0.267 118.429 118.700 -0.006 0.000 2.955 208 N HA -0.295 4.446 4.740 0.001 0.000 0.230 208 N C 1.832 177.069 175.510 -0.455 0.000 0.891 208 N CA 1.709 54.561 53.050 -0.330 0.000 1.002 208 N CB -1.384 36.915 38.487 -0.313 0.000 1.063 208 N HN 0.801 nan 8.380 nan 0.000 0.601 209 S N -0.544 115.060 115.700 -0.159 0.000 2.442 209 S HA -0.136 4.335 4.470 0.001 0.000 0.236 209 S C 1.905 176.460 174.600 -0.075 0.000 1.007 209 S CA 1.756 59.887 58.200 -0.116 0.000 0.965 209 S CB -0.751 62.428 63.200 -0.036 0.000 0.773 209 S HN 0.589 nan 8.310 nan 0.000 0.504 210 T N -0.950 113.613 114.554 0.014 0.000 3.035 210 T HA 0.087 4.438 4.350 0.001 0.000 0.268 210 T C 1.091 175.915 174.700 0.206 0.000 1.109 210 T CA 0.736 62.910 62.100 0.124 0.000 1.119 210 T CB -0.712 68.273 68.868 0.194 0.000 0.900 210 T HN 0.790 nan 8.240 nan 0.000 0.503 211 F N -0.237 119.753 119.950 0.067 0.000 2.915 211 F HA 0.797 5.325 4.527 0.001 0.000 0.347 211 F C 0.396 176.244 175.800 0.079 0.000 1.104 211 F CA -1.602 56.447 58.000 0.081 0.000 1.126 211 F CB -0.154 38.950 39.000 0.172 0.000 1.145 211 F HN 0.161 nan 8.300 nan 0.000 0.541 212 A N 1.443 123.986 122.820 -0.461 0.000 2.462 212 A HA 0.181 4.502 4.320 0.001 0.000 0.243 212 A C 0.916 178.439 177.584 -0.102 0.000 1.076 212 A CA 0.318 52.152 52.037 -0.339 0.000 0.773 212 A CB 0.065 18.883 19.000 -0.304 0.000 1.010 212 A HN 0.494 nan 8.150 nan 0.000 0.493 213 D N 0.493 120.872 120.400 -0.036 0.000 2.162 213 D HA 0.033 4.673 4.640 0.001 0.000 0.205 213 D C -0.109 176.161 176.300 -0.049 0.000 0.964 213 D CA 1.066 55.067 54.000 0.001 0.000 0.847 213 D CB 0.071 40.903 40.800 0.053 0.000 0.988 213 D HN 0.279 nan 8.370 nan 0.000 0.480 214 L N 0.997 122.169 121.223 -0.084 0.000 2.317 214 L HA 0.350 4.691 4.340 0.001 0.000 0.281 214 L C -0.770 176.016 176.870 -0.141 0.000 1.024 214 L CA -0.563 54.183 54.840 -0.157 0.000 0.810 214 L CB 1.700 43.622 42.059 -0.230 0.000 1.240 214 L HN -0.160 nan 8.230 nan 0.000 0.427 215 L N 4.905 126.035 121.223 -0.154 0.000 2.377 215 L HA 0.436 4.776 4.340 0.001 0.000 0.270 215 L C -0.473 176.290 176.870 -0.178 0.000 0.991 215 L CA -0.164 54.595 54.840 -0.134 0.000 0.851 215 L CB 1.247 43.240 42.059 -0.109 0.000 1.218 215 L HN 0.275 nan 8.230 nan 0.000 0.420 216 I N 4.918 125.372 120.570 -0.192 0.000 2.389 216 I HA 0.155 4.326 4.170 0.001 0.000 0.295 216 I C 0.056 175.916 176.117 -0.428 0.000 1.117 216 I CA 0.113 61.216 61.300 -0.329 0.000 1.317 216 I CB -0.036 37.788 38.000 -0.294 0.000 1.431 216 I HN 0.359 nan 8.210 nan 0.000 0.521 217 I N 6.958 127.302 120.570 -0.377 0.000 2.336 217 I HA 0.298 4.469 4.170 0.001 0.000 0.292 217 I C -0.043 175.862 176.117 -0.353 0.000 0.991 217 I CA -0.565 60.568 61.300 -0.279 0.000 1.227 217 I CB 0.813 38.721 38.000 -0.153 0.000 1.366 217 I HN 0.181 nan 8.210 nan 0.000 0.466 218 F N 4.749 124.576 119.950 -0.205 0.000 2.411 218 F HA 0.612 5.140 4.527 0.001 0.000 0.350 218 F C 0.633 176.398 175.800 -0.059 0.000 1.114 218 F CA -0.226 57.688 58.000 -0.143 0.000 1.135 218 F CB 1.364 40.217 39.000 -0.245 0.000 1.120 218 F HN 0.556 nan 8.300 nan 0.000 0.495 219 A N 3.766 126.692 122.820 0.177 0.000 2.549 219 A HA 0.637 4.958 4.320 0.001 0.000 0.297 219 A C -0.800 176.845 177.584 0.101 0.000 1.061 219 A CA -1.010 51.071 52.037 0.072 0.000 0.690 219 A CB 1.332 20.273 19.000 -0.098 0.000 1.287 219 A HN 0.738 nan 8.150 nan 0.000 0.402 220 R N 2.234 122.763 120.500 0.048 0.000 2.291 220 R HA 0.052 4.393 4.340 0.001 0.000 0.333 220 R C 0.025 176.365 176.300 0.067 0.000 1.082 220 R CA -0.346 55.787 56.100 0.055 0.000 0.948 220 R CB 0.087 30.406 30.300 0.032 0.000 1.009 220 R HN 0.804 nan 8.270 nan 0.000 0.460 221 N N 2.388 121.143 118.700 0.091 0.000 2.217 221 N HA -0.125 4.616 4.740 0.001 0.000 0.268 221 N C 0.742 176.354 175.510 0.169 0.000 1.290 221 N CA 0.983 54.129 53.050 0.159 0.000 0.831 221 N CB 1.061 39.633 38.487 0.142 0.000 1.057 221 N HN 0.705 nan 8.380 nan 0.000 0.481 222 T N -0.116 114.566 114.554 0.214 0.000 3.067 222 T HA -0.012 4.339 4.350 0.001 0.000 0.261 222 T C 1.514 176.288 174.700 0.123 0.000 1.110 222 T CA 1.046 63.227 62.100 0.135 0.000 1.113 222 T CB -0.090 68.843 68.868 0.107 0.000 0.917 222 T HN 0.442 nan 8.240 nan 0.000 0.499 223 T N 2.503 117.157 114.554 0.167 0.000 2.851 223 T HA -0.027 4.324 4.350 0.001 0.000 0.262 223 T C 2.257 177.019 174.700 0.104 0.000 1.043 223 T CA 1.766 63.940 62.100 0.123 0.000 1.140 223 T CB -0.497 68.452 68.868 0.135 0.000 0.872 223 T HN 0.746 nan 8.240 nan 0.000 0.446 224 T N -1.290 113.337 114.554 0.122 0.000 3.022 224 T HA 0.189 4.539 4.350 0.001 0.000 0.250 224 T C 1.023 175.765 174.700 0.069 0.000 1.060 224 T CA 0.138 62.291 62.100 0.090 0.000 1.013 224 T CB -0.121 68.804 68.868 0.095 0.000 0.982 224 T HN 0.252 nan 8.240 nan 0.000 0.508 225 N N 1.114 119.857 118.700 0.073 0.000 2.800 225 N HA -0.133 4.608 4.740 0.001 0.000 0.250 225 N C -0.923 174.614 175.510 0.046 0.000 1.078 225 N CA 0.749 53.830 53.050 0.052 0.000 0.804 225 N CB -0.714 37.796 38.487 0.037 0.000 1.135 225 N HN 0.617 nan 8.380 nan 0.000 0.565 226 Q N 0.376 120.210 119.800 0.057 0.000 2.297 226 Q HA 0.457 4.798 4.340 0.001 0.000 0.268 226 Q C 0.518 176.555 176.000 0.062 0.000 1.045 226 Q CA -0.656 55.180 55.803 0.055 0.000 0.861 226 Q CB 1.498 30.267 28.738 0.052 0.000 1.344 226 Q HN 0.268 nan 8.270 nan 0.000 0.452 227 I N 2.238 122.857 120.570 0.081 0.000 2.556 227 I HA 0.013 4.184 4.170 0.001 0.000 0.284 227 I C 0.152 176.319 176.117 0.082 0.000 1.114 227 I CA 0.222 61.589 61.300 0.111 0.000 1.418 227 I CB 0.231 38.332 38.000 0.169 0.000 1.394 227 I HN 0.354 nan 8.210 nan 0.000 0.552 228 N N 3.413 122.147 118.700 0.057 0.000 2.545 228 N HA 0.704 5.444 4.740 0.001 0.000 0.289 228 N C -0.451 174.886 175.510 -0.289 0.000 1.279 228 N CA -0.624 52.322 53.050 -0.173 0.000 0.824 228 N CB 1.962 40.216 38.487 -0.389 0.000 1.395 228 N HN 0.627 nan 8.380 nan 0.000 0.526 229 G N -0.181 108.134 108.800 -0.808 0.000 2.590 229 G HA2 0.688 4.649 3.960 0.001 0.000 0.310 229 G HA3 0.688 4.649 3.960 0.001 0.000 0.310 229 G C -1.622 172.587 174.900 -1.152 0.000 1.347 229 G CA -0.292 44.246 45.100 -0.936 0.000 0.963 229 G HN 0.260 nan 8.290 nan 0.000 0.494 230 F N 1.082 120.697 119.950 -0.558 0.000 2.547 230 F HA 0.442 4.970 4.527 0.001 0.000 0.316 230 F C 0.201 175.773 175.800 -0.380 0.000 1.121 230 F CA -0.873 56.871 58.000 -0.427 0.000 0.911 230 F CB 2.354 41.114 39.000 -0.400 0.000 1.179 230 F HN 0.234 nan 8.300 nan 0.000 0.443 231 I N 4.344 124.810 120.570 -0.174 0.000 2.294 231 I HA 0.223 4.394 4.170 0.001 0.000 0.295 231 I C -0.499 175.511 176.117 -0.179 0.000 1.098 231 I CA -0.314 60.845 61.300 -0.235 0.000 1.277 231 I CB 0.077 37.883 38.000 -0.324 0.000 1.434 231 I HN 0.229 nan 8.210 nan 0.000 0.498 232 V N 7.070 126.885 119.914 -0.165 0.000 2.481 232 V HA 0.346 4.466 4.120 0.001 0.000 0.286 232 V C 0.427 176.446 176.094 -0.124 0.000 1.042 232 V CA -0.842 61.381 62.300 -0.127 0.000 0.928 232 V CB 1.476 33.231 31.823 -0.113 0.000 0.986 232 V HN 0.523 nan 8.190 nan 0.000 0.462 233 K N 2.904 123.253 120.400 -0.085 0.000 2.095 233 K HA 0.395 4.716 4.320 0.001 0.000 0.252 233 K C -0.103 176.476 176.600 -0.034 0.000 0.977 233 K CA -0.886 55.365 56.287 -0.059 0.000 0.900 233 K CB 1.168 33.656 32.500 -0.020 0.000 1.060 233 K HN 0.552 nan 8.250 nan 0.000 0.449 234 K N 1.675 122.062 120.400 -0.020 0.000 2.436 234 K HA -0.110 4.211 4.320 0.001 0.000 0.275 234 K C -0.642 175.964 176.600 0.009 0.000 0.999 234 K CA 0.549 56.833 56.287 -0.004 0.000 0.980 234 K CB 0.199 32.707 32.500 0.013 0.000 0.919 234 K HN 0.530 nan 8.250 nan 0.000 0.484 235 D N 0.230 120.636 120.400 0.010 0.000 2.837 235 D HA -0.202 4.439 4.640 0.001 0.000 0.230 235 D C -0.511 175.800 176.300 0.018 0.000 1.152 235 D CA 1.258 55.267 54.000 0.016 0.000 0.736 235 D CB -1.475 39.337 40.800 0.021 0.000 1.084 235 D HN 0.668 nan 8.370 nan 0.000 0.429 236 A N 0.326 123.154 122.820 0.014 0.000 2.477 236 A HA 0.411 4.732 4.320 0.001 0.000 0.246 236 A C -1.883 175.717 177.584 0.026 0.000 1.078 236 A CA -0.761 51.290 52.037 0.024 0.000 0.770 236 A CB 0.251 19.259 19.000 0.013 0.000 1.011 236 A HN -0.109 nan 8.150 nan 0.000 0.494 237 P HA 0.205 nan 4.420 nan 0.000 0.260 237 P C 1.043 178.360 177.300 0.028 0.000 1.185 237 P CA 1.984 65.103 63.100 0.032 0.000 0.763 237 P CB 0.444 32.168 31.700 0.040 0.000 0.776 238 G N 1.959 110.768 108.800 0.015 0.000 2.194 238 G HA2 -0.234 3.727 3.960 0.001 0.000 0.236 238 G HA3 -0.234 3.727 3.960 0.001 0.000 0.236 238 G C -0.308 174.591 174.900 -0.002 0.000 0.987 238 G CA -0.312 44.792 45.100 0.007 0.000 0.635 238 G HN 0.571 nan 8.290 nan 0.000 0.520 239 L N 1.091 122.313 121.223 -0.002 0.000 2.289 239 L HA 0.822 5.163 4.340 0.001 0.000 0.285 239 L C 0.022 176.888 176.870 -0.007 0.000 1.049 239 L CA -0.505 54.328 54.840 -0.011 0.000 0.804 239 L CB 1.338 43.388 42.059 -0.015 0.000 1.195 239 L HN 0.176 nan 8.230 nan 0.000 0.428 240 K N 4.522 124.916 120.400 -0.011 0.000 2.601 240 K HA 0.782 5.103 4.320 0.001 0.000 0.249 240 K C -1.814 174.779 176.600 -0.011 0.000 0.966 240 K CA -0.511 55.771 56.287 -0.007 0.000 0.827 240 K CB 1.500 33.996 32.500 -0.007 0.000 1.178 240 K HN 0.699 nan 8.250 nan 0.000 0.437 241 A N 2.581 125.399 122.820 -0.004 0.000 2.318 241 A HA 0.644 4.965 4.320 0.001 0.000 0.317 241 A C -0.655 176.933 177.584 0.007 0.000 1.159 241 A CA -0.596 51.438 52.037 -0.004 0.000 0.799 241 A CB 1.195 20.194 19.000 -0.002 0.000 1.194 241 A HN 0.713 nan 8.150 nan 0.000 0.479 242 T N -0.380 114.172 114.554 -0.005 0.000 2.893 242 T HA 0.538 4.889 4.350 0.001 0.000 0.293 242 T C -0.399 174.295 174.700 -0.009 0.000 1.027 242 T CA -0.888 61.212 62.100 0.001 0.000 0.988 242 T CB 1.384 70.246 68.868 -0.010 0.000 1.043 242 T HN 0.697 nan 8.240 nan 0.000 0.461 243 K N 2.526 122.933 120.400 0.013 0.000 2.451 243 K HA 0.206 4.527 4.320 0.001 0.000 0.280 243 K C -0.418 176.161 176.600 -0.035 0.000 1.020 243 K CA -0.411 55.883 56.287 0.013 0.000 1.008 243 K CB 0.126 32.653 32.500 0.045 0.000 0.917 243 K HN 0.622 nan 8.250 nan 0.000 0.478 244 I N 8.473 128.999 120.570 -0.074 0.000 2.363 244 I HA 0.112 4.283 4.170 0.001 0.000 0.292 244 I C -1.549 174.528 176.117 -0.067 0.000 1.075 244 I CA -1.764 59.451 61.300 -0.143 0.000 1.333 244 I CB 0.738 38.534 38.000 -0.340 0.000 1.415 244 I HN 0.628 nan 8.210 nan 0.000 0.502 245 P HA 0.265 nan 4.420 nan 0.000 0.282 245 P C -0.499 176.796 177.300 -0.008 0.000 1.287 245 P CA -0.293 62.795 63.100 -0.020 0.000 0.792 245 P CB 0.583 32.273 31.700 -0.017 0.000 1.163 246 N N -2.998 115.700 118.700 -0.004 0.000 2.782 246 N HA -0.140 4.601 4.740 0.001 0.000 0.251 246 N C -0.453 175.077 175.510 0.033 0.000 1.101 246 N CA 0.993 54.048 53.050 0.008 0.000 0.764 246 N CB -1.849 36.647 38.487 0.016 0.000 1.122 246 N HN 0.573 nan 8.380 nan 0.000 0.561 247 K N 0.738 121.161 120.400 0.039 0.000 2.295 247 K HA 0.241 4.562 4.320 0.001 0.000 0.270 247 K C 1.925 178.527 176.600 0.003 0.000 1.011 247 K CA 0.009 56.346 56.287 0.083 0.000 0.953 247 K CB 0.815 33.395 32.500 0.133 0.000 0.956 247 K HN 0.284 nan 8.250 nan 0.000 0.477 248 I N -2.086 118.517 120.570 0.054 0.000 3.645 248 I HA 0.193 4.363 4.170 0.001 0.000 0.300 248 I C 0.708 176.907 176.117 0.137 0.000 1.260 248 I CA -0.096 61.246 61.300 0.070 0.000 1.365 248 I CB 0.514 38.590 38.000 0.127 0.000 1.077 248 I HN 0.450 nan 8.210 nan 0.000 0.439 249 G N 0.622 109.500 108.800 0.130 0.000 2.605 249 G HA2 0.578 4.539 3.960 0.001 0.000 0.296 249 G HA3 0.578 4.539 3.960 0.001 0.000 0.296 249 G C -0.074 174.940 174.900 0.190 0.000 1.304 249 G CA -0.942 44.313 45.100 0.260 0.000 0.941 249 G HN 0.259 nan 8.290 nan 0.000 0.475 250 L N -0.447 120.981 121.223 0.341 0.000 3.829 250 L HA -0.249 4.092 4.340 0.001 0.000 0.440 250 L C 2.243 179.175 176.870 0.104 0.000 1.192 250 L CA 0.072 55.087 54.840 0.292 0.000 0.848 250 L CB -0.740 41.480 42.059 0.268 0.000 1.744 250 L HN 0.692 nan 8.230 nan 0.000 0.920 251 R N -0.488 119.866 120.500 -0.244 0.000 2.193 251 R HA -0.122 4.219 4.340 0.001 0.000 0.229 251 R C 2.102 178.298 176.300 -0.174 0.000 1.110 251 R CA 1.637 57.479 56.100 -0.431 0.000 0.988 251 R CB -0.101 29.559 30.300 -1.067 0.000 0.871 251 R HN 0.523 nan 8.270 nan 0.000 0.458 252 M N 0.182 119.767 119.600 -0.025 0.000 2.288 252 M HA -0.035 4.446 4.480 0.001 0.000 0.266 252 M C 0.239 176.675 176.300 0.227 0.000 1.072 252 M CA 0.650 56.021 55.300 0.118 0.000 1.132 252 M CB 0.487 33.178 32.600 0.153 0.000 1.386 252 M HN -0.156 nan 8.290 nan 0.000 0.432 253 V N 2.539 122.599 119.914 0.243 0.000 2.540 253 V HA -0.084 4.037 4.120 0.001 0.000 0.297 253 V C 0.283 176.501 176.094 0.207 0.000 1.024 253 V CA 0.048 62.509 62.300 0.268 0.000 1.105 253 V CB 0.151 32.140 31.823 0.276 0.000 0.938 253 V HN 0.278 nan 8.190 nan 0.000 0.482 254 Q N 4.294 124.209 119.800 0.192 0.000 2.423 254 Q HA 0.303 4.644 4.340 0.001 0.000 0.235 254 Q C -0.338 175.760 176.000 0.163 0.000 1.100 254 Q CA 0.026 55.935 55.803 0.178 0.000 0.908 254 Q CB 0.250 29.129 28.738 0.235 0.000 1.312 254 Q HN 0.725 nan 8.270 nan 0.000 0.497 255 N N 0.285 119.084 118.700 0.165 0.000 2.518 255 N HA 0.584 5.325 4.740 0.001 0.000 0.283 255 N C -0.151 175.397 175.510 0.063 0.000 1.119 255 N CA -0.146 53.005 53.050 0.169 0.000 0.983 255 N CB 1.307 39.988 38.487 0.323 0.000 1.139 255 N HN 0.506 nan 8.380 nan 0.000 0.465 256 G N 0.122 108.944 108.800 0.037 0.000 2.482 256 G HA2 0.274 4.234 3.960 0.001 0.000 0.317 256 G HA3 0.274 4.234 3.960 0.001 0.000 0.317 256 G C -1.269 173.586 174.900 -0.074 0.000 1.241 256 G CA -0.603 44.485 45.100 -0.020 0.000 0.967 256 G HN 0.442 nan 8.290 nan 0.000 0.482 257 D N 1.238 121.577 120.400 -0.102 0.000 2.295 257 D HA 0.262 4.903 4.640 0.001 0.000 0.248 257 D C 0.201 176.469 176.300 -0.053 0.000 1.154 257 D CA 0.412 54.353 54.000 -0.099 0.000 0.857 257 D CB 2.017 42.750 40.800 -0.111 0.000 1.117 257 D HN 0.179 nan 8.370 nan 0.000 0.468 258 I N 2.296 122.842 120.570 -0.039 0.000 2.377 258 I HA 0.231 4.402 4.170 0.001 0.000 0.293 258 I C -0.395 175.703 176.117 -0.031 0.000 0.987 258 I CA -0.953 60.329 61.300 -0.030 0.000 1.185 258 I CB 1.597 39.580 38.000 -0.027 0.000 1.341 258 I HN 0.011 nan 8.210 nan 0.000 0.455 259 L N 7.563 128.769 121.223 -0.028 0.000 2.305 259 L HA 0.527 4.868 4.340 0.001 0.000 0.284 259 L C -0.999 175.854 176.870 -0.027 0.000 1.013 259 L CA -0.333 54.491 54.840 -0.026 0.000 0.819 259 L CB 1.367 43.413 42.059 -0.022 0.000 1.227 259 L HN 0.394 nan 8.230 nan 0.000 0.417 260 L N 5.063 126.268 121.223 -0.031 0.000 2.316 260 L HA 0.551 4.892 4.340 0.001 0.000 0.280 260 L C -0.455 176.399 176.870 -0.028 0.000 1.006 260 L CA -0.187 54.633 54.840 -0.035 0.000 0.836 260 L CB 1.556 43.583 42.059 -0.054 0.000 1.221 260 L HN 0.517 nan 8.230 nan 0.000 0.418 261 Q N 2.656 122.445 119.800 -0.018 0.000 2.363 261 Q HA 0.373 4.714 4.340 0.001 0.000 0.265 261 Q C -0.399 175.600 176.000 -0.002 0.000 1.032 261 Q CA -0.530 55.266 55.803 -0.011 0.000 0.746 261 Q CB 1.106 29.839 28.738 -0.008 0.000 1.237 261 Q HN 0.578 nan 8.270 nan 0.000 0.475 262 N N 0.282 118.983 118.700 0.001 0.000 2.714 262 N HA -0.179 4.562 4.740 0.001 0.000 0.252 262 N C -0.932 174.606 175.510 0.045 0.000 1.014 262 N CA -0.076 52.987 53.050 0.022 0.000 0.735 262 N CB -0.523 37.975 38.487 0.019 0.000 0.924 262 N HN 0.231 nan 8.380 nan 0.000 0.540 263 V N 1.850 121.778 119.914 0.023 0.000 2.439 263 V HA 0.071 4.192 4.120 0.001 0.000 0.271 263 V C 0.445 176.586 176.094 0.077 0.000 1.040 263 V CA -0.079 62.241 62.300 0.033 0.000 1.002 263 V CB -0.124 31.684 31.823 -0.024 0.000 1.000 263 V HN 0.195 nan 8.190 nan 0.000 0.477 264 F N 6.839 126.779 119.950 -0.016 0.000 2.443 264 F HA 0.528 5.056 4.527 0.001 0.000 0.353 264 F C -0.030 175.786 175.800 0.026 0.000 1.101 264 F CA -0.274 57.730 58.000 0.006 0.000 1.226 264 F CB 0.982 39.987 39.000 0.009 0.000 1.140 264 F HN 0.235 nan 8.300 nan 0.000 0.557 265 V N 8.022 127.474 119.914 -0.771 0.000 2.482 265 V HA 0.335 4.455 4.120 0.001 0.000 0.295 265 V C -2.273 173.359 176.094 -0.770 0.000 1.026 265 V CA -1.915 60.026 62.300 -0.597 0.000 0.856 265 V CB 1.608 33.318 31.823 -0.189 0.000 1.001 265 V HN 0.659 nan 8.190 nan 0.000 0.424 266 P HA 0.165 nan 4.420 nan 0.000 0.269 266 P C 0.418 177.730 177.300 0.020 0.000 1.215 266 P CA -0.094 62.831 63.100 -0.291 0.000 0.780 266 P CB 0.750 32.404 31.700 -0.075 0.000 0.898 267 D N 1.692 122.161 120.400 0.116 0.000 2.157 267 D HA -0.241 4.400 4.640 0.001 0.000 0.191 267 D C 1.567 177.952 176.300 0.141 0.000 1.004 267 D CA 1.700 55.815 54.000 0.192 0.000 0.854 267 D CB -0.334 40.541 40.800 0.125 0.000 0.936 267 D HN 0.662 nan 8.370 nan 0.000 0.446 268 E N 0.086 120.338 120.200 0.087 0.000 2.409 268 E HA -0.152 4.199 4.350 0.001 0.000 0.198 268 E C 0.622 177.257 176.600 0.059 0.000 1.024 268 E CA 0.867 57.305 56.400 0.063 0.000 0.861 268 E CB 0.023 29.756 29.700 0.055 0.000 0.788 268 E HN 0.112 nan 8.360 nan 0.000 0.521 269 D N 0.774 121.206 120.400 0.053 0.000 2.369 269 D HA 0.051 4.692 4.640 0.001 0.000 0.211 269 D C -0.019 176.247 176.300 -0.057 0.000 1.077 269 D CA -0.036 53.977 54.000 0.021 0.000 0.842 269 D CB 0.151 40.953 40.800 0.003 0.000 0.947 269 D HN 0.089 nan 8.370 nan 0.000 0.509 270 R N 1.272 121.735 120.500 -0.062 0.000 2.298 270 R HA 0.237 4.578 4.340 0.001 0.000 0.310 270 R C -0.220 175.897 176.300 -0.305 0.000 1.068 270 R CA -0.439 55.474 56.100 -0.312 0.000 0.957 270 R CB 0.437 30.581 30.300 -0.261 0.000 1.003 270 R HN -0.046 nan 8.270 nan 0.000 0.454 271 L N 8.403 129.362 121.223 -0.439 0.000 2.530 271 L HA 0.141 4.482 4.340 0.001 0.000 0.273 271 L C -1.201 175.508 176.870 -0.269 0.000 1.141 271 L CA -1.247 53.407 54.840 -0.310 0.000 0.905 271 L CB 0.990 42.846 42.059 -0.338 0.000 1.202 271 L HN 0.563 nan 8.230 nan 0.000 0.473 272 P HA -0.035 nan 4.420 nan 0.000 0.237 272 P C 1.100 178.342 177.300 -0.097 0.000 1.178 272 P CA 0.551 63.583 63.100 -0.114 0.000 0.766 272 P CB 0.386 32.050 31.700 -0.061 0.000 0.876 273 G N -0.365 108.373 108.800 -0.103 0.000 3.189 273 G HA2 0.204 4.165 3.960 0.001 0.000 0.225 273 G HA3 0.204 4.165 3.960 0.001 0.000 0.225 273 G C 0.054 174.911 174.900 -0.072 0.000 1.159 273 G CA 0.065 45.121 45.100 -0.073 0.000 0.763 273 G HN 0.140 nan 8.290 nan 0.000 0.549 274 V N 1.723 121.569 119.914 -0.113 0.000 2.304 274 V HA 0.319 4.440 4.120 0.001 0.000 0.278 274 V C -0.066 175.966 176.094 -0.103 0.000 1.018 274 V CA -0.774 61.475 62.300 -0.086 0.000 0.814 274 V CB 1.080 32.845 31.823 -0.096 0.000 1.021 274 V HN 0.209 nan 8.190 nan 0.000 0.440 275 N N 2.069 120.740 118.700 -0.048 0.000 2.257 275 N HA 0.125 4.866 4.740 0.001 0.000 0.200 275 N C 0.522 176.034 175.510 0.005 0.000 1.163 275 N CA 0.457 53.488 53.050 -0.033 0.000 0.891 275 N CB 1.513 39.988 38.487 -0.020 0.000 1.067 275 N HN 0.723 nan 8.380 nan 0.000 0.497 276 S N -1.209 114.504 115.700 0.021 0.000 2.656 276 S HA 0.306 4.777 4.470 0.001 0.000 0.273 276 S C 0.288 174.940 174.600 0.088 0.000 1.168 276 S CA -0.708 57.529 58.200 0.062 0.000 0.817 276 S CB 0.668 63.901 63.200 0.054 0.000 1.146 276 S HN -0.066 nan 8.310 nan 0.000 0.475 277 F N 2.311 122.242 119.950 -0.032 0.000 2.250 277 F HA -0.065 4.463 4.527 0.001 0.000 0.301 277 F C 2.615 178.382 175.800 -0.055 0.000 1.077 277 F CA 2.239 60.202 58.000 -0.061 0.000 1.348 277 F CB -0.370 38.584 39.000 -0.078 0.000 1.040 277 F HN 0.815 nan 8.300 nan 0.000 0.509 278 Q N -0.933 118.794 119.800 -0.120 0.000 2.437 278 Q HA -0.160 4.181 4.340 0.001 0.000 0.210 278 Q C 1.063 176.941 176.000 -0.203 0.000 0.972 278 Q CA 1.450 57.133 55.803 -0.200 0.000 0.903 278 Q CB -0.490 28.210 28.738 -0.064 0.000 0.967 278 Q HN 0.335 nan 8.270 nan 0.000 0.486 279 D N 1.504 121.813 120.400 -0.153 0.000 2.137 279 D HA -0.115 4.526 4.640 0.001 0.000 0.202 279 D C 2.145 178.373 176.300 -0.120 0.000 0.970 279 D CA 2.122 56.063 54.000 -0.098 0.000 0.837 279 D CB -0.256 40.523 40.800 -0.034 0.000 0.981 279 D HN 0.481 nan 8.370 nan 0.000 0.475 280 T N -1.312 113.118 114.554 -0.206 0.000 2.857 280 T HA -0.098 4.253 4.350 0.001 0.000 0.266 280 T C 2.095 176.576 174.700 -0.366 0.000 1.048 280 T CA 1.767 63.725 62.100 -0.235 0.000 1.139 280 T CB -0.205 68.355 68.868 -0.515 0.000 0.874 280 T HN -0.070 nan 8.240 nan 0.000 0.455 281 S N 0.343 115.627 115.700 -0.692 0.000 2.399 281 S HA -0.027 4.444 4.470 0.001 0.000 0.231 281 S C 2.101 176.536 174.600 -0.276 0.000 1.022 281 S CA 1.199 59.039 58.200 -0.599 0.000 0.983 281 S CB -0.385 62.355 63.200 -0.766 0.000 0.803 281 S HN 0.640 nan 8.310 nan 0.000 0.480 282 K N 0.168 120.443 120.400 -0.208 0.000 2.155 282 K HA 0.039 4.359 4.320 0.001 0.000 0.203 282 K C 1.932 178.484 176.600 -0.081 0.000 1.052 282 K CA 1.100 57.322 56.287 -0.108 0.000 0.948 282 K CB -0.138 32.317 32.500 -0.076 0.000 0.728 282 K HN 0.204 nan 8.250 nan 0.000 0.448 283 V N 1.657 121.521 119.914 -0.083 0.000 2.358 283 V HA -0.223 3.898 4.120 0.001 0.000 0.246 283 V C 2.125 178.126 176.094 -0.155 0.000 1.047 283 V CA 1.461 63.711 62.300 -0.084 0.000 1.035 283 V CB -0.306 31.512 31.823 -0.007 0.000 0.658 283 V HN 0.306 nan 8.190 nan 0.000 0.452 284 L N -0.001 121.127 121.223 -0.158 0.000 2.127 284 L HA -0.216 4.125 4.340 0.001 0.000 0.211 284 L C 2.624 179.412 176.870 -0.137 0.000 1.089 284 L CA 1.597 56.334 54.840 -0.173 0.000 0.757 284 L CB -0.615 41.372 42.059 -0.120 0.000 0.899 284 L HN 0.397 nan 8.230 nan 0.000 0.434 285 A N -0.796 121.961 122.820 -0.105 0.000 1.969 285 A HA -0.101 4.219 4.320 0.001 0.000 0.218 285 A C 2.213 179.736 177.584 -0.102 0.000 1.169 285 A CA 1.444 53.439 52.037 -0.070 0.000 0.635 285 A CB -0.501 18.481 19.000 -0.030 0.000 0.810 285 A HN 0.229 nan 8.150 nan 0.000 0.445 286 V N 0.699 120.527 119.914 -0.142 0.000 2.407 286 V HA -0.164 3.957 4.120 0.001 0.000 0.245 286 V C 2.839 178.757 176.094 -0.293 0.000 1.041 286 V CA 2.096 64.224 62.300 -0.287 0.000 1.040 286 V CB -0.807 30.866 31.823 -0.251 0.000 0.671 286 V HN 0.763 nan 8.190 nan 0.000 0.455 287 S N 0.154 115.707 115.700 -0.244 0.000 2.481 287 S HA -0.145 4.325 4.470 0.001 0.000 0.231 287 S C 2.031 176.531 174.600 -0.166 0.000 0.996 287 S CA 0.981 59.035 58.200 -0.243 0.000 0.942 287 S CB -0.416 62.584 63.200 -0.334 0.000 0.768 287 S HN 0.519 nan 8.310 nan 0.000 0.520 288 R N 0.657 121.077 120.500 -0.133 0.000 2.148 288 R HA 0.069 4.410 4.340 0.001 0.000 0.223 288 R C 1.926 178.211 176.300 -0.024 0.000 1.088 288 R CA 1.102 57.165 56.100 -0.061 0.000 0.985 288 R CB -0.419 29.852 30.300 -0.047 0.000 0.880 288 R HN 0.400 nan 8.270 nan 0.000 0.451 289 V N 0.552 120.430 119.914 -0.061 0.000 2.343 289 V HA -0.273 3.848 4.120 0.001 0.000 0.247 289 V C 2.216 178.372 176.094 0.103 0.000 1.051 289 V CA 1.620 63.919 62.300 -0.001 0.000 1.036 289 V CB -0.374 31.381 31.823 -0.113 0.000 0.654 289 V HN 0.279 nan 8.190 nan 0.000 0.451 290 M N -0.242 119.355 119.600 -0.006 0.000 2.117 290 M HA -0.108 4.373 4.480 0.001 0.000 0.262 290 M C 2.073 178.445 176.300 0.119 0.000 1.065 290 M CA 1.566 56.881 55.300 0.025 0.000 1.114 290 M CB -0.675 31.874 32.600 -0.085 0.000 1.361 290 M HN 0.155 nan 8.290 nan 0.000 0.408 291 V N -0.090 119.872 119.914 0.080 0.000 2.392 291 V HA -0.298 3.822 4.120 0.001 0.000 0.249 291 V C 2.464 178.637 176.094 0.133 0.000 1.059 291 V CA 1.805 64.184 62.300 0.132 0.000 1.051 291 V CB -1.436 30.475 31.823 0.145 0.000 0.658 291 V HN 0.571 nan 8.190 nan 0.000 0.455 292 A N -1.268 121.619 122.820 0.112 0.000 1.978 292 A HA -0.264 4.057 4.320 0.001 0.000 0.220 292 A C 1.851 179.428 177.584 -0.012 0.000 1.170 292 A CA 1.926 53.989 52.037 0.044 0.000 0.636 292 A CB -0.826 18.182 19.000 0.013 0.000 0.810 292 A HN 0.702 nan 8.150 nan 0.000 0.448 293 W N -0.006 121.281 121.300 -0.021 0.000 2.800 293 W HA 0.049 4.710 4.660 0.002 0.000 0.249 293 W C 2.436 178.957 176.519 0.003 0.000 1.294 293 W CA 0.908 58.233 57.345 -0.034 0.000 1.402 293 W CB -0.017 29.402 29.460 -0.068 0.000 1.126 293 W HN 0.456 nan 8.180 nan 0.000 0.652 294 Q N 0.189 120.108 119.800 0.199 0.000 2.016 294 Q HA -0.165 4.175 4.340 0.001 0.000 0.200 294 Q C -0.361 175.700 176.000 0.100 0.000 0.978 294 Q CA 1.539 57.434 55.803 0.154 0.000 0.833 294 Q CB -1.519 27.308 28.738 0.148 0.000 0.895 294 Q HN 0.107 nan 8.270 nan 0.000 0.427 295 P HA -0.189 nan 4.420 nan 0.000 0.216 295 P C 1.014 178.323 177.300 0.015 0.000 1.150 295 P CA 1.265 64.374 63.100 0.015 0.000 0.843 295 P CB -0.066 31.626 31.700 -0.013 0.000 0.787 296 I N -1.030 119.530 120.570 -0.016 0.000 2.179 296 I HA -0.195 3.976 4.170 0.001 0.000 0.242 296 I C 2.520 178.699 176.117 0.103 0.000 1.088 296 I CA 1.914 63.196 61.300 -0.032 0.000 1.357 296 I CB -1.304 36.536 38.000 -0.267 0.000 1.051 296 I HN 0.022 nan 8.210 nan 0.000 0.409 297 G N 1.192 110.088 108.800 0.161 0.000 2.433 297 G HA2 -0.211 3.750 3.960 0.001 0.000 0.216 297 G HA3 -0.211 3.750 3.960 0.001 0.000 0.216 297 G C 1.697 176.696 174.900 0.166 0.000 1.186 297 G CA 0.708 45.925 45.100 0.194 0.000 0.779 297 G HN 0.299 nan 8.290 nan 0.000 0.543 298 I N 1.186 121.833 120.570 0.129 0.000 2.163 298 I HA -0.211 3.960 4.170 0.001 0.000 0.243 298 I C 3.059 179.247 176.117 0.119 0.000 1.085 298 I CA 1.379 62.749 61.300 0.115 0.000 1.347 298 I CB -0.181 37.865 38.000 0.077 0.000 1.044 298 I HN 0.106 nan 8.210 nan 0.000 0.408 299 S N 0.462 116.222 115.700 0.100 0.000 2.368 299 S HA -0.188 4.282 4.470 0.001 0.000 0.225 299 S C 2.008 176.703 174.600 0.158 0.000 1.030 299 S CA 1.443 59.703 58.200 0.101 0.000 0.999 299 S CB -0.321 62.916 63.200 0.062 0.000 0.844 299 S HN 0.334 nan 8.310 nan 0.000 0.459 300 M N 1.215 120.923 119.600 0.179 0.000 2.073 300 M HA -0.123 4.358 4.480 0.001 0.000 0.258 300 M C 2.563 179.015 176.300 0.254 0.000 1.070 300 M CA 1.772 57.206 55.300 0.223 0.000 1.103 300 M CB -1.122 31.624 32.600 0.244 0.000 1.321 300 M HN 0.490 nan 8.290 nan 0.000 0.405 301 G N 0.405 109.357 108.800 0.254 0.000 2.446 301 G HA2 -0.204 3.757 3.960 0.001 0.000 0.217 301 G HA3 -0.204 3.757 3.960 0.001 0.000 0.217 301 G C 1.454 176.447 174.900 0.155 0.000 1.168 301 G CA 0.974 46.245 45.100 0.285 0.000 0.771 301 G HN 0.415 nan 8.290 nan 0.000 0.551 302 I N -0.767 119.886 120.570 0.138 0.000 2.163 302 I HA -0.209 3.962 4.170 0.001 0.000 0.243 302 I C 2.457 178.616 176.117 0.071 0.000 1.085 302 I CA 1.509 62.856 61.300 0.078 0.000 1.347 302 I CB -0.329 37.718 38.000 0.077 0.000 1.044 302 I HN 0.272 nan 8.210 nan 0.000 0.408 303 Y N 1.976 122.298 120.300 0.037 0.000 2.114 303 Y HA -0.331 4.220 4.550 0.001 0.000 0.284 303 Y C 2.291 178.218 175.900 0.045 0.000 1.143 303 Y CA 1.937 60.059 58.100 0.036 0.000 1.135 303 Y CB -0.293 38.188 38.460 0.035 0.000 0.980 303 Y HN 0.190 nan 8.280 nan 0.000 0.499 304 D N 0.142 120.664 120.400 0.204 0.000 2.116 304 D HA -0.262 4.378 4.640 0.001 0.000 0.193 304 D C 2.144 178.412 176.300 -0.053 0.000 0.998 304 D CA 1.992 56.049 54.000 0.096 0.000 0.836 304 D CB -0.507 40.354 40.800 0.102 0.000 0.951 304 D HN 0.434 nan 8.370 nan 0.000 0.449 305 M N 0.279 119.814 119.600 -0.108 0.000 2.086 305 M HA -0.136 4.344 4.480 0.001 0.000 0.261 305 M C 2.263 178.532 176.300 -0.050 0.000 1.067 305 M CA 1.371 56.604 55.300 -0.111 0.000 1.116 305 M CB -0.481 32.044 32.600 -0.125 0.000 1.348 305 M HN 0.045 nan 8.290 nan 0.000 0.407 306 C N -0.341 118.888 119.300 -0.117 0.000 2.398 306 C HA -0.214 4.247 4.460 0.001 0.000 0.276 306 C C 2.660 177.568 174.990 -0.138 0.000 1.222 306 C CA 1.602 60.537 59.018 -0.139 0.000 1.746 306 C CB -1.621 25.993 27.740 -0.211 0.000 2.039 306 C HN 0.746 nan 8.230 nan 0.000 0.470 307 H N 0.821 119.656 119.070 -0.392 0.000 2.265 307 H HA -0.191 4.365 4.556 0.001 0.000 0.295 307 H C 2.556 177.813 175.328 -0.117 0.000 1.084 307 H CA 2.445 58.296 56.048 -0.329 0.000 1.261 307 H CB -0.278 29.265 29.762 -0.366 0.000 1.360 307 H HN 0.304 nan 8.280 nan 0.000 0.487 308 R N -0.776 119.756 120.500 0.053 0.000 2.081 308 R HA -0.197 4.143 4.340 0.001 0.000 0.235 308 R C 2.171 178.484 176.300 0.021 0.000 1.131 308 R CA 1.782 57.906 56.100 0.039 0.000 0.960 308 R CB -0.752 29.588 30.300 0.068 0.000 0.856 308 R HN 0.512 nan 8.270 nan 0.000 0.436 309 Y N 1.305 121.571 120.300 -0.056 0.000 2.181 309 Y HA -0.174 4.377 4.550 0.001 0.000 0.288 309 Y C 2.116 177.982 175.900 -0.057 0.000 1.146 309 Y CA 1.785 59.863 58.100 -0.037 0.000 1.164 309 Y CB -0.189 38.231 38.460 -0.067 0.000 0.982 309 Y HN 0.034 nan 8.280 nan 0.000 0.515 310 L N -0.093 121.174 121.223 0.074 0.000 2.201 310 L HA -0.202 4.139 4.340 0.001 0.000 0.212 310 L C 2.291 179.115 176.870 -0.077 0.000 1.105 310 L CA 1.093 55.937 54.840 0.007 0.000 0.775 310 L CB -0.431 41.611 42.059 -0.028 0.000 0.913 310 L HN 0.141 nan 8.230 nan 0.000 0.440 311 K N 0.100 120.419 120.400 -0.134 0.000 2.116 311 K HA -0.078 4.243 4.320 0.001 0.000 0.203 311 K C 1.832 178.367 176.600 -0.109 0.000 1.052 311 K CA 1.027 57.236 56.287 -0.130 0.000 0.952 311 K CB 0.056 32.463 32.500 -0.155 0.000 0.729 311 K HN 0.433 nan 8.250 nan 0.000 0.446 312 E N 0.309 120.428 120.200 -0.135 0.000 2.086 312 E HA -0.031 4.320 4.350 0.001 0.000 0.190 312 E C 0.858 177.341 176.600 -0.195 0.000 0.975 312 E CA 0.047 56.358 56.400 -0.149 0.000 0.813 312 E CB 0.239 29.852 29.700 -0.145 0.000 0.768 312 E HN -0.048 nan 8.360 nan 0.000 0.457 313 R N 2.360 122.691 120.500 -0.281 0.000 2.316 313 R HA 0.145 4.486 4.340 0.001 0.000 0.314 313 R C -0.736 175.501 176.300 -0.106 0.000 1.069 313 R CA 0.364 56.305 56.100 -0.264 0.000 0.959 313 R CB 0.331 30.378 30.300 -0.422 0.000 0.987 313 R HN -0.028 nan 8.270 nan 0.000 0.446 314 K N 2.750 123.099 120.400 -0.085 0.000 2.156 314 K HA 0.301 4.621 4.320 0.001 0.000 0.254 314 K C -0.706 175.899 176.600 0.009 0.000 0.950 314 K CA -0.674 55.606 56.287 -0.010 0.000 0.849 314 K CB 1.585 34.063 32.500 -0.036 0.000 1.100 314 K HN 0.354 nan 8.250 nan 0.000 0.434 315 Q N 1.208 121.072 119.800 0.107 0.000 2.386 315 Q HA 0.292 4.633 4.340 0.001 0.000 0.274 315 Q C -1.310 174.853 176.000 0.271 0.000 1.011 315 Q CA -0.435 55.394 55.803 0.042 0.000 0.867 315 Q CB 0.849 29.594 28.738 0.011 0.000 1.409 315 Q HN 0.585 nan 8.270 nan 0.000 0.395 316 F N 1.818 121.824 119.950 0.093 0.000 3.069 316 F HA -0.237 4.291 4.527 0.001 0.000 0.285 316 F C 1.188 177.057 175.800 0.115 0.000 0.827 316 F CA 1.421 59.498 58.000 0.128 0.000 1.108 316 F CB -1.544 37.593 39.000 0.229 0.000 1.252 316 F HN 0.913 nan 8.300 nan 0.000 0.483 317 G N -0.983 107.919 108.800 0.170 0.000 2.143 317 G HA2 0.132 4.093 3.960 0.001 0.000 0.248 317 G HA3 0.132 4.093 3.960 0.001 0.000 0.248 317 G C 0.025 174.971 174.900 0.077 0.000 0.991 317 G CA 0.082 45.238 45.100 0.092 0.000 0.689 317 G HN 1.665 nan 8.290 nan 0.000 0.522 318 A N -0.691 122.209 122.820 0.133 0.000 2.515 318 A HA 0.930 5.251 4.320 0.001 0.000 0.296 318 A C -2.900 174.746 177.584 0.103 0.000 1.094 318 A CA -1.512 50.548 52.037 0.039 0.000 0.718 318 A CB 1.734 20.648 19.000 -0.143 0.000 1.307 318 A HN 0.048 nan 8.150 nan 0.000 0.408 319 P HA 0.175 nan 4.420 nan 0.000 0.268 319 P C 0.850 178.252 177.300 0.171 0.000 1.205 319 P CA -0.124 63.001 63.100 0.042 0.000 0.771 319 P CB 0.426 32.107 31.700 -0.032 0.000 0.858 320 L N 2.051 123.395 121.223 0.202 0.000 2.189 320 L HA -0.250 4.090 4.340 0.001 0.000 0.214 320 L C 2.191 179.229 176.870 0.279 0.000 1.097 320 L CA 1.744 56.772 54.840 0.313 0.000 0.764 320 L CB -0.833 41.323 42.059 0.162 0.000 0.900 320 L HN 0.443 nan 8.230 nan 0.000 0.436 321 A N -0.162 122.716 122.820 0.096 0.000 2.178 321 A HA -0.033 4.287 4.320 0.001 0.000 0.218 321 A C 2.423 180.001 177.584 -0.010 0.000 1.157 321 A CA 1.348 53.395 52.037 0.017 0.000 0.689 321 A CB -0.426 18.529 19.000 -0.075 0.000 0.787 321 A HN 0.408 nan 8.150 nan 0.000 0.465 322 A N -0.950 121.823 122.820 -0.077 0.000 2.067 322 A HA 0.343 4.664 4.320 0.001 0.000 0.217 322 A C 0.421 177.797 177.584 -0.347 0.000 1.156 322 A CA 0.076 51.937 52.037 -0.295 0.000 0.683 322 A CB -0.309 18.387 19.000 -0.507 0.000 0.808 322 A HN 0.362 nan 8.150 nan 0.000 0.455 323 F N 0.315 120.250 119.950 -0.026 0.000 2.410 323 F HA 0.262 4.790 4.527 0.001 0.000 0.348 323 F C 1.543 177.324 175.800 -0.032 0.000 1.106 323 F CA -0.529 57.450 58.000 -0.036 0.000 1.163 323 F CB 0.754 39.731 39.000 -0.038 0.000 1.129 323 F HN 0.167 nan 8.300 nan 0.000 0.516 324 Q N 1.229 121.097 119.800 0.114 0.000 2.047 324 Q HA -0.237 4.104 4.340 0.001 0.000 0.211 324 Q C 2.029 178.067 176.000 0.063 0.000 1.005 324 Q CA 1.699 57.538 55.803 0.059 0.000 0.866 324 Q CB -0.280 28.481 28.738 0.037 0.000 0.938 324 Q HN 0.605 nan 8.270 nan 0.000 0.414 325 L N 1.065 122.330 121.223 0.070 0.000 2.042 325 L HA -0.211 4.130 4.340 0.001 0.000 0.210 325 L C 1.778 178.670 176.870 0.037 0.000 1.076 325 L CA 1.762 56.624 54.840 0.037 0.000 0.749 325 L CB -0.963 41.102 42.059 0.011 0.000 0.893 325 L HN 0.275 nan 8.230 nan 0.000 0.432 326 N N -1.589 117.154 118.700 0.072 0.000 2.216 326 N HA -0.166 4.575 4.740 0.001 0.000 0.183 326 N C 1.710 177.247 175.510 0.044 0.000 1.017 326 N CA 0.607 53.692 53.050 0.058 0.000 0.861 326 N CB 0.020 38.569 38.487 0.104 0.000 0.986 326 N HN 0.490 nan 8.380 nan 0.000 0.428 327 Q N 0.825 120.656 119.800 0.051 0.000 2.084 327 Q HA -0.209 4.132 4.340 0.001 0.000 0.202 327 Q C 2.053 178.072 176.000 0.032 0.000 0.978 327 Q CA 1.135 56.957 55.803 0.032 0.000 0.844 327 Q CB -0.062 28.690 28.738 0.024 0.000 0.898 327 Q HN 0.432 nan 8.270 nan 0.000 0.426 328 Q N 1.024 120.842 119.800 0.030 0.000 2.030 328 Q HA -0.238 4.103 4.340 0.001 0.000 0.204 328 Q C 1.791 177.807 176.000 0.026 0.000 0.986 328 Q CA 1.550 57.368 55.803 0.025 0.000 0.843 328 Q CB 0.133 28.882 28.738 0.020 0.000 0.904 328 Q HN 0.086 nan 8.270 nan 0.000 0.420 329 K N 0.151 120.563 120.400 0.020 0.000 2.032 329 K HA -0.187 4.134 4.320 0.001 0.000 0.209 329 K C 1.951 178.573 176.600 0.038 0.000 1.048 329 K CA 1.308 57.605 56.287 0.016 0.000 0.927 329 K CB -0.396 32.104 32.500 -0.001 0.000 0.712 329 K HN 0.161 nan 8.250 nan 0.000 0.441 330 L N 0.178 121.426 121.223 0.042 0.000 2.046 330 L HA -0.151 4.190 4.340 0.001 0.000 0.208 330 L C 1.791 178.762 176.870 0.169 0.000 1.077 330 L CA 1.527 56.417 54.840 0.083 0.000 0.747 330 L CB -0.216 41.864 42.059 0.034 0.000 0.896 330 L HN -0.022 nan 8.230 nan 0.000 0.432 331 V N -0.853 119.115 119.914 0.091 0.000 2.548 331 V HA -0.237 3.884 4.120 0.001 0.000 0.249 331 V C 2.451 178.566 176.094 0.036 0.000 1.055 331 V CA 1.563 63.895 62.300 0.053 0.000 1.065 331 V CB -0.614 31.225 31.823 0.027 0.000 0.681 331 V HN 0.525 nan 8.190 nan 0.000 0.462 332 Q N -0.544 119.281 119.800 0.040 0.000 2.084 332 Q HA -0.190 4.151 4.340 0.001 0.000 0.202 332 Q C 2.308 178.325 176.000 0.028 0.000 0.978 332 Q CA 1.734 57.553 55.803 0.027 0.000 0.844 332 Q CB -0.259 28.490 28.738 0.018 0.000 0.898 332 Q HN 0.564 nan 8.270 nan 0.000 0.426 333 M N 0.081 119.721 119.600 0.065 0.000 2.065 333 M HA -0.204 4.277 4.480 0.001 0.000 0.259 333 M C 2.208 178.536 176.300 0.046 0.000 1.069 333 M CA 1.225 56.581 55.300 0.094 0.000 1.110 333 M CB -0.360 32.362 32.600 0.203 0.000 1.328 333 M HN 0.195 nan 8.290 nan 0.000 0.405 334 L N 0.517 121.743 121.223 0.006 0.000 2.079 334 L HA -0.081 4.259 4.340 0.001 0.000 0.210 334 L C 2.334 179.099 176.870 -0.175 0.000 1.081 334 L CA 2.077 56.757 54.840 -0.268 0.000 0.752 334 L CB -1.143 40.683 42.059 -0.389 0.000 0.896 334 L HN 0.285 nan 8.230 nan 0.000 0.433 335 G N -0.934 107.815 108.800 -0.085 0.000 2.459 335 G HA2 -0.339 3.622 3.960 0.001 0.000 0.217 335 G HA3 -0.339 3.622 3.960 0.001 0.000 0.217 335 G C 1.398 176.287 174.900 -0.018 0.000 1.183 335 G CA 1.065 46.133 45.100 -0.053 0.000 0.776 335 G HN 0.567 nan 8.290 nan 0.000 0.552 336 N N -0.038 118.663 118.700 0.002 0.000 2.061 336 N HA -0.146 4.595 4.740 0.001 0.000 0.193 336 N C 2.207 177.741 175.510 0.041 0.000 1.030 336 N CA 1.330 54.391 53.050 0.018 0.000 0.856 336 N CB -0.212 38.257 38.487 -0.030 0.000 1.023 336 N HN 0.173 nan 8.380 nan 0.000 0.424 337 V N 1.510 121.432 119.914 0.013 0.000 2.332 337 V HA -0.252 3.869 4.120 0.001 0.000 0.248 337 V C 2.317 178.486 176.094 0.125 0.000 1.055 337 V CA 1.545 63.877 62.300 0.054 0.000 1.038 337 V CB -0.544 31.290 31.823 0.018 0.000 0.651 337 V HN 0.365 nan 8.190 nan 0.000 0.450 338 Q N 0.192 120.033 119.800 0.067 0.000 2.020 338 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 338 Q C 2.470 178.558 176.000 0.146 0.000 0.982 338 Q CA 2.071 57.940 55.803 0.110 0.000 0.838 338 Q CB -1.047 27.462 28.738 -0.382 0.000 0.899 338 Q HN 0.620 nan 8.270 nan 0.000 0.423 339 A N 1.051 123.946 122.820 0.125 0.000 1.883 339 A HA -0.175 4.146 4.320 0.001 0.000 0.217 339 A C 2.276 180.003 177.584 0.237 0.000 1.186 339 A CA 1.793 53.950 52.037 0.200 0.000 0.624 339 A CB -0.602 18.593 19.000 0.325 0.000 0.822 339 A HN 0.321 nan 8.150 nan 0.000 0.444 340 M N -2.190 117.574 119.600 0.273 0.000 2.080 340 M HA -0.118 4.363 4.480 0.001 0.000 0.260 340 M C 2.186 178.444 176.300 -0.069 0.000 1.068 340 M CA 2.008 57.423 55.300 0.193 0.000 1.109 340 M CB -0.483 32.164 32.600 0.079 0.000 1.342 340 M HN 0.560 nan 8.290 nan 0.000 0.405 341 F N 1.206 120.996 119.950 -0.267 0.000 2.075 341 F HA -0.231 4.296 4.527 0.001 0.000 0.297 341 F C 1.989 177.602 175.800 -0.313 0.000 1.113 341 F CA 1.589 59.272 58.000 -0.528 0.000 1.218 341 F CB -0.151 38.280 39.000 -0.948 0.000 0.984 341 F HN -0.050 nan 8.300 nan 0.000 0.472 342 L N -0.578 120.763 121.223 0.197 0.000 2.079 342 L HA -0.273 4.068 4.340 0.001 0.000 0.210 342 L C 2.442 179.436 176.870 0.208 0.000 1.081 342 L CA 1.380 56.381 54.840 0.269 0.000 0.752 342 L CB -0.579 41.616 42.059 0.226 0.000 0.896 342 L HN 0.310 nan 8.230 nan 0.000 0.433 343 M N -0.046 119.570 119.600 0.027 0.000 2.067 343 M HA -0.087 4.394 4.480 0.001 0.000 0.260 343 M C 2.109 178.348 176.300 -0.102 0.000 1.069 343 M CA 2.084 57.346 55.300 -0.064 0.000 1.117 343 M CB -0.925 31.606 32.600 -0.115 0.000 1.334 343 M HN 0.153 nan 8.290 nan 0.000 0.407 344 G N -1.528 107.080 108.800 -0.321 0.000 2.418 344 G HA2 -0.296 3.664 3.960 0.001 0.000 0.217 344 G HA3 -0.296 3.664 3.960 0.001 0.000 0.217 344 G C 1.346 176.249 174.900 0.005 0.000 1.158 344 G CA 0.873 45.630 45.100 -0.571 0.000 0.771 344 G HN 0.687 nan 8.290 nan 0.000 0.545 345 W N 1.598 122.809 121.300 -0.149 0.000 2.338 345 W HA -0.112 4.548 4.660 0.001 0.000 0.304 345 W C 2.670 179.256 176.519 0.113 0.000 1.212 345 W CA 1.852 59.277 57.345 0.135 0.000 1.264 345 W CB -0.051 29.456 29.460 0.079 0.000 1.142 345 W HN 0.148 nan 8.180 nan 0.000 0.512 346 R N 0.651 121.204 120.500 0.088 0.000 2.081 346 R HA -0.168 4.173 4.340 0.001 0.000 0.235 346 R C 2.122 178.309 176.300 -0.188 0.000 1.131 346 R CA 1.989 57.972 56.100 -0.196 0.000 0.960 346 R CB -1.461 28.872 30.300 0.054 0.000 0.856 346 R HN 0.335 nan 8.270 nan 0.000 0.436 347 L N 0.167 121.355 121.223 -0.059 0.000 2.013 347 L HA -0.238 4.103 4.340 0.001 0.000 0.212 347 L C 2.140 179.007 176.870 -0.004 0.000 1.073 347 L CA 1.873 56.704 54.840 -0.016 0.000 0.753 347 L CB -0.993 41.080 42.059 0.023 0.000 0.890 347 L HN 0.344 nan 8.230 nan 0.000 0.432 348 C N -0.481 118.821 119.300 0.004 0.000 2.413 348 C HA -0.154 4.306 4.460 0.001 0.000 0.276 348 C C 2.696 177.628 174.990 -0.096 0.000 1.248 348 C CA 0.670 59.669 59.018 -0.030 0.000 1.742 348 C CB -0.985 26.716 27.740 -0.065 0.000 2.017 348 C HN 0.462 nan 8.230 nan 0.000 0.481 349 K N 0.665 120.897 120.400 -0.280 0.000 2.097 349 K HA 0.032 4.352 4.320 0.001 0.000 0.205 349 K C 1.870 178.370 176.600 -0.166 0.000 1.050 349 K CA 0.978 57.086 56.287 -0.298 0.000 0.938 349 K CB -0.624 31.547 32.500 -0.547 0.000 0.718 349 K HN 0.535 nan 8.250 nan 0.000 0.442 350 L N -0.361 120.788 121.223 -0.125 0.000 2.046 350 L HA -0.212 4.129 4.340 0.001 0.000 0.208 350 L C 2.503 179.355 176.870 -0.031 0.000 1.077 350 L CA 1.329 56.128 54.840 -0.068 0.000 0.747 350 L CB -0.462 41.571 42.059 -0.043 0.000 0.896 350 L HN 0.110 nan 8.230 nan 0.000 0.432 351 Y N 0.886 121.129 120.300 -0.096 0.000 2.163 351 Y HA -0.248 4.303 4.550 0.001 0.000 0.288 351 Y C 2.499 178.349 175.900 -0.082 0.000 1.136 351 Y CA 1.694 59.747 58.100 -0.079 0.000 1.147 351 Y CB -0.033 38.384 38.460 -0.072 0.000 0.987 351 Y HN 0.142 nan 8.280 nan 0.000 0.509 352 E N -0.892 119.305 120.200 -0.005 0.000 2.118 352 E HA -0.189 4.162 4.350 0.001 0.000 0.195 352 E C 1.801 178.314 176.600 -0.146 0.000 0.992 352 E CA 1.845 58.200 56.400 -0.075 0.000 0.804 352 E CB -0.126 29.548 29.700 -0.042 0.000 0.741 352 E HN 0.435 nan 8.360 nan 0.000 0.458 353 T N -1.009 113.463 114.554 -0.137 0.000 3.118 353 T HA 0.086 4.437 4.350 0.001 0.000 0.260 353 T C 1.220 175.833 174.700 -0.146 0.000 1.139 353 T CA 0.660 62.688 62.100 -0.121 0.000 1.085 353 T CB 0.283 69.093 68.868 -0.096 0.000 0.934 353 T HN 0.413 nan 8.240 nan 0.000 0.518 354 G N 2.338 111.005 108.800 -0.222 0.000 2.137 354 G HA2 -0.280 3.681 3.960 0.001 0.000 0.237 354 G HA3 -0.280 3.681 3.960 0.001 0.000 0.237 354 G C 0.458 175.261 174.900 -0.162 0.000 1.002 354 G CA 0.392 45.349 45.100 -0.239 0.000 0.702 354 G HN 0.669 nan 8.290 nan 0.000 0.515 355 Q N -1.301 118.421 119.800 -0.130 0.000 2.164 355 Q HA 0.509 4.850 4.340 0.001 0.000 0.226 355 Q C 1.149 177.117 176.000 -0.054 0.000 0.813 355 Q CA -0.471 55.283 55.803 -0.080 0.000 0.978 355 Q CB 0.530 29.229 28.738 -0.065 0.000 1.149 355 Q HN 0.536 nan 8.270 nan 0.000 0.489 356 M N 3.178 122.751 119.600 -0.046 0.000 2.239 356 M HA 0.116 4.596 4.480 0.001 0.000 0.348 356 M C -0.306 176.000 176.300 0.009 0.000 1.239 356 M CA 0.576 55.883 55.300 0.010 0.000 1.114 356 M CB 0.924 33.587 32.600 0.105 0.000 1.641 356 M HN 0.321 nan 8.290 nan 0.000 0.453 357 T N 1.774 116.334 114.554 0.009 0.000 2.940 357 T HA 0.532 4.883 4.350 0.001 0.000 0.288 357 T C -2.307 172.402 174.700 0.015 0.000 1.033 357 T CA -1.791 60.313 62.100 0.007 0.000 1.033 357 T CB 1.392 70.260 68.868 -0.000 0.000 1.079 357 T HN 0.429 nan 8.240 nan 0.000 0.496 358 P HA -0.001 nan 4.420 nan 0.000 0.215 358 P C 1.833 179.143 177.300 0.016 0.000 1.153 358 P CA 1.407 64.514 63.100 0.012 0.000 0.853 358 P CB -0.409 31.297 31.700 0.009 0.000 0.788 359 G N -0.186 108.624 108.800 0.018 0.000 2.440 359 G HA2 -0.297 3.663 3.960 0.001 0.000 0.218 359 G HA3 -0.297 3.663 3.960 0.001 0.000 0.218 359 G C 1.521 176.424 174.900 0.005 0.000 1.154 359 G CA 0.734 45.843 45.100 0.014 0.000 0.767 359 G HN 0.330 nan 8.290 nan 0.000 0.552 360 Q N 0.055 119.857 119.800 0.002 0.000 2.083 360 Q HA 0.111 4.451 4.340 0.001 0.000 0.198 360 Q C 3.016 179.018 176.000 0.003 0.000 0.969 360 Q CA 1.062 56.862 55.803 -0.004 0.000 0.838 360 Q CB -0.209 28.526 28.738 -0.005 0.000 0.900 360 Q HN 0.479 nan 8.270 nan 0.000 0.436 361 A N 0.496 123.322 122.820 0.011 0.000 1.898 361 A HA -0.152 4.168 4.320 0.001 0.000 0.216 361 A C 2.273 179.864 177.584 0.012 0.000 1.181 361 A CA 1.527 53.570 52.037 0.010 0.000 0.620 361 A CB -0.533 18.470 19.000 0.004 0.000 0.819 361 A HN 0.214 nan 8.150 nan 0.000 0.442 362 S N -0.545 115.162 115.700 0.011 0.000 2.370 362 S HA -0.159 4.312 4.470 0.001 0.000 0.226 362 S C 1.890 176.499 174.600 0.014 0.000 1.033 362 S CA 1.558 59.764 58.200 0.011 0.000 1.011 362 S CB -0.433 62.776 63.200 0.014 0.000 0.852 362 S HN 0.495 nan 8.310 nan 0.000 0.457 363 L N 1.896 123.128 121.223 0.015 0.000 1.994 363 L HA 0.020 4.360 4.340 0.001 0.000 0.208 363 L C 2.279 179.204 176.870 0.090 0.000 1.071 363 L CA 2.192 57.053 54.840 0.035 0.000 0.745 363 L CB -1.478 40.583 42.059 0.002 0.000 0.892 363 L HN 0.295 nan 8.230 nan 0.000 0.431 364 G N -0.327 108.505 108.800 0.052 0.000 2.586 364 G HA2 -0.447 3.513 3.960 0.001 0.000 0.218 364 G HA3 -0.447 3.513 3.960 0.001 0.000 0.218 364 G C 1.597 176.566 174.900 0.115 0.000 1.216 364 G CA 1.317 46.458 45.100 0.067 0.000 0.786 364 G HN 0.484 nan 8.290 nan 0.000 0.583 365 K N 1.305 121.748 120.400 0.072 0.000 2.044 365 K HA 0.038 4.359 4.320 0.001 0.000 0.210 365 K C 2.601 179.265 176.600 0.108 0.000 1.049 365 K CA 2.151 58.479 56.287 0.069 0.000 0.927 365 K CB -0.928 31.596 32.500 0.041 0.000 0.713 365 K HN 0.272 nan 8.250 nan 0.000 0.443 366 A N 0.030 122.919 122.820 0.115 0.000 1.851 366 A HA -0.146 4.175 4.320 0.001 0.000 0.216 366 A C 2.279 180.100 177.584 0.394 0.000 1.195 366 A CA 1.699 53.851 52.037 0.191 0.000 0.622 366 A CB -1.409 17.564 19.000 -0.043 0.000 0.831 366 A HN 0.706 nan 8.150 nan 0.000 0.444 367 W N 0.484 121.881 121.300 0.161 0.000 2.354 367 W HA -0.149 4.512 4.660 0.001 0.000 0.315 367 W C 1.898 178.474 176.519 0.096 0.000 1.206 367 W CA 2.029 59.470 57.345 0.160 0.000 1.290 367 W CB -0.269 29.237 29.460 0.077 0.000 1.152 367 W HN 0.301 nan 8.180 nan 0.000 0.489 368 I N -0.058 120.732 120.570 0.366 0.000 2.208 368 I HA -0.362 3.809 4.170 0.001 0.000 0.245 368 I C 2.717 178.811 176.117 -0.038 0.000 1.097 368 I CA 1.706 63.096 61.300 0.149 0.000 1.363 368 I CB -0.980 37.101 38.000 0.134 0.000 1.051 368 I HN -0.001 nan 8.210 nan 0.000 0.413 369 S N -0.137 115.587 115.700 0.040 0.000 2.368 369 S HA -0.230 4.241 4.470 0.001 0.000 0.225 369 S C 2.267 176.885 174.600 0.029 0.000 1.030 369 S CA 2.041 60.280 58.200 0.066 0.000 0.999 369 S CB -0.279 63.004 63.200 0.138 0.000 0.844 369 S HN 0.486 nan 8.310 nan 0.000 0.459 370 S N 0.342 116.017 115.700 -0.042 0.000 2.383 370 S HA -0.014 4.457 4.470 0.001 0.000 0.227 370 S C 1.936 176.323 174.600 -0.355 0.000 1.026 370 S CA 0.887 58.947 58.200 -0.233 0.000 0.981 370 S CB -0.301 62.668 63.200 -0.385 0.000 0.818 370 S HN 0.391 nan 8.310 nan 0.000 0.472 371 K N 1.136 121.261 120.400 -0.458 0.000 2.155 371 K HA 0.151 4.472 4.320 0.001 0.000 0.203 371 K C 2.282 178.719 176.600 -0.271 0.000 1.052 371 K CA 1.051 57.055 56.287 -0.471 0.000 0.948 371 K CB -0.693 31.364 32.500 -0.738 0.000 0.728 371 K HN 0.462 nan 8.250 nan 0.000 0.448 372 A N 1.133 123.827 122.820 -0.210 0.000 1.969 372 A HA -0.127 4.194 4.320 0.001 0.000 0.218 372 A C 2.221 179.711 177.584 -0.156 0.000 1.169 372 A CA 1.141 53.099 52.037 -0.132 0.000 0.635 372 A CB -0.301 18.647 19.000 -0.088 0.000 0.810 372 A HN 0.188 nan 8.150 nan 0.000 0.445 373 R N -0.237 120.123 120.500 -0.234 0.000 2.075 373 R HA -0.114 4.227 4.340 0.001 0.000 0.232 373 R C 2.055 178.224 176.300 -0.219 0.000 1.126 373 R CA 1.684 57.599 56.100 -0.308 0.000 0.963 373 R CB -0.205 29.787 30.300 -0.514 0.000 0.858 373 R HN 0.678 nan 8.270 nan 0.000 0.435 374 E N -1.045 119.033 120.200 -0.205 0.000 2.077 374 E HA -0.157 4.194 4.350 0.001 0.000 0.193 374 E C 1.850 178.403 176.600 -0.078 0.000 0.989 374 E CA 1.842 58.158 56.400 -0.140 0.000 0.800 374 E CB 0.005 29.613 29.700 -0.154 0.000 0.746 374 E HN 0.333 nan 8.360 nan 0.000 0.452 375 T N 0.920 115.428 114.554 -0.076 0.000 2.652 375 T HA -0.211 4.140 4.350 0.001 0.000 0.267 375 T C 2.028 176.735 174.700 0.013 0.000 1.039 375 T CA 1.401 63.488 62.100 -0.022 0.000 1.153 375 T CB -0.350 68.510 68.868 -0.015 0.000 0.863 375 T HN 0.268 nan 8.240 nan 0.000 0.428 376 A N 0.921 123.749 122.820 0.015 0.000 1.940 376 A HA -0.110 4.211 4.320 0.001 0.000 0.219 376 A C 2.576 180.292 177.584 0.220 0.000 1.176 376 A CA 2.108 54.209 52.037 0.106 0.000 0.631 376 A CB -1.054 17.983 19.000 0.063 0.000 0.814 376 A HN 0.439 nan 8.150 nan 0.000 0.446 377 S N -0.601 115.198 115.700 0.164 0.000 2.368 377 S HA -0.105 4.365 4.470 0.001 0.000 0.225 377 S C 1.900 176.520 174.600 0.033 0.000 1.030 377 S CA 1.534 59.835 58.200 0.168 0.000 0.999 377 S CB -0.440 62.807 63.200 0.078 0.000 0.844 377 S HN 0.508 nan 8.310 nan 0.000 0.459 378 L N 0.492 121.720 121.223 0.008 0.000 2.072 378 L HA 0.061 4.402 4.340 0.001 0.000 0.205 378 L C 2.828 179.674 176.870 -0.041 0.000 1.079 378 L CA 1.162 55.990 54.840 -0.020 0.000 0.752 378 L CB -0.963 41.091 42.059 -0.009 0.000 0.906 378 L HN 0.441 nan 8.230 nan 0.000 0.436 379 G N -0.602 108.183 108.800 -0.025 0.000 2.408 379 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 379 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 379 G C 1.793 176.619 174.900 -0.122 0.000 1.150 379 G CA 0.180 45.246 45.100 -0.058 0.000 0.776 379 G HN 0.110 nan 8.290 nan 0.000 0.542 380 R N 1.259 121.685 120.500 -0.123 0.000 2.073 380 R HA -0.092 4.249 4.340 0.001 0.000 0.234 380 R C 2.584 178.732 176.300 -0.253 0.000 1.134 380 R CA 1.872 57.826 56.100 -0.242 0.000 0.952 380 R CB -0.410 29.645 30.300 -0.408 0.000 0.850 380 R HN 0.692 nan 8.270 nan 0.000 0.433 381 E N -0.101 119.985 120.200 -0.190 0.000 2.285 381 E HA -0.104 4.247 4.350 0.001 0.000 0.194 381 E C 2.077 178.586 176.600 -0.152 0.000 0.997 381 E CA 0.407 56.707 56.400 -0.167 0.000 0.845 381 E CB -0.302 29.325 29.700 -0.122 0.000 0.782 381 E HN 0.303 nan 8.360 nan 0.000 0.491 382 L N 0.763 121.899 121.223 -0.145 0.000 2.201 382 L HA -0.066 4.274 4.340 0.001 0.000 0.212 382 L C 2.166 178.929 176.870 -0.177 0.000 1.105 382 L CA 0.709 55.473 54.840 -0.125 0.000 0.775 382 L CB -0.070 41.927 42.059 -0.102 0.000 0.913 382 L HN 0.294 nan 8.230 nan 0.000 0.440 383 L N -1.016 120.015 121.223 -0.321 0.000 2.592 383 L HA 0.195 4.536 4.340 0.001 0.000 0.227 383 L C 1.508 178.131 176.870 -0.412 0.000 1.127 383 L CA 0.416 54.906 54.840 -0.583 0.000 0.884 383 L CB -0.988 40.517 42.059 -0.923 0.000 1.065 383 L HN 0.415 nan 8.230 nan 0.000 0.457 384 G N 1.151 109.798 108.800 -0.255 0.000 2.583 384 G HA2 -0.387 3.574 3.960 0.001 0.000 0.292 384 G HA3 -0.387 3.574 3.960 0.001 0.000 0.292 384 G C 0.967 175.724 174.900 -0.237 0.000 1.203 384 G CA 0.176 45.158 45.100 -0.197 0.000 0.987 384 G HN 0.330 nan 8.290 nan 0.000 0.554 385 G N 0.041 108.715 108.800 -0.210 0.000 2.491 385 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 385 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 385 G C 1.505 176.239 174.900 -0.277 0.000 1.180 385 G CA 1.668 46.643 45.100 -0.208 0.000 0.774 385 G HN 0.738 nan 8.290 nan 0.000 0.562 386 N N 1.238 119.683 118.700 -0.424 0.000 2.519 386 N HA -0.055 4.686 4.740 0.001 0.000 0.186 386 N C 2.127 177.369 175.510 -0.445 0.000 1.062 386 N CA 0.922 53.645 53.050 -0.545 0.000 0.910 386 N CB -0.413 37.413 38.487 -1.102 0.000 0.958 386 N HN 0.333 nan 8.380 nan 0.000 0.445 387 G N 0.688 109.234 108.800 -0.424 0.000 2.776 387 G HA2 -0.060 3.900 3.960 0.001 0.000 0.209 387 G HA3 -0.060 3.900 3.960 0.001 0.000 0.209 387 G C 1.346 176.087 174.900 -0.266 0.000 1.145 387 G CA 0.137 45.026 45.100 -0.352 0.000 0.791 387 G HN 0.509 nan 8.290 nan 0.000 0.530 388 I N -2.833 117.611 120.570 -0.210 0.000 4.018 388 I HA 0.440 4.611 4.170 0.001 0.000 0.337 388 I C -0.409 175.669 176.117 -0.066 0.000 1.327 388 I CA -0.506 60.706 61.300 -0.146 0.000 1.100 388 I CB 0.409 38.333 38.000 -0.126 0.000 1.025 388 I HN -0.257 nan 8.210 nan 0.000 0.396 389 L N 2.033 123.227 121.223 -0.048 0.000 2.276 389 L HA 0.510 4.851 4.340 0.001 0.000 0.286 389 L C 1.535 178.412 176.870 0.012 0.000 1.061 389 L CA 0.040 54.896 54.840 0.027 0.000 0.807 389 L CB 1.227 43.356 42.059 0.118 0.000 1.177 389 L HN 0.202 nan 8.230 nan 0.000 0.429 390 A N 2.544 125.352 122.820 -0.019 0.000 1.978 390 A HA -0.193 4.128 4.320 0.001 0.000 0.220 390 A C 1.640 179.160 177.584 -0.107 0.000 1.170 390 A CA 1.739 53.703 52.037 -0.122 0.000 0.636 390 A CB -0.557 18.405 19.000 -0.064 0.000 0.810 390 A HN 0.856 nan 8.150 nan 0.000 0.448 391 D N -1.123 119.229 120.400 -0.080 0.000 2.190 391 D HA -0.141 4.500 4.640 0.001 0.000 0.200 391 D C 0.608 176.679 176.300 -0.381 0.000 0.992 391 D CA 1.244 55.106 54.000 -0.230 0.000 0.854 391 D CB -0.265 40.340 40.800 -0.325 0.000 0.936 391 D HN 0.581 nan 8.370 nan 0.000 0.462 392 F N -0.581 119.313 119.950 -0.094 0.000 2.750 392 F HA 0.280 4.808 4.527 0.001 0.000 0.297 392 F C 1.183 176.899 175.800 -0.140 0.000 1.138 392 F CA -0.389 57.544 58.000 -0.112 0.000 1.346 392 F CB 0.399 39.296 39.000 -0.172 0.000 0.965 392 F HN -0.237 nan 8.300 nan 0.000 0.514 393 L N -1.404 119.804 121.223 -0.026 0.000 3.832 393 L HA -0.453 3.887 4.340 0.001 0.000 0.359 393 L C 1.533 178.360 176.870 -0.072 0.000 2.750 393 L CA 2.226 57.037 54.840 -0.048 0.000 2.342 393 L CB -1.411 40.657 42.059 0.016 0.000 2.206 393 L HN 0.009 nan 8.230 nan 0.000 0.725 394 V N 0.049 119.928 119.914 -0.057 0.000 2.317 394 V HA -0.382 3.739 4.120 0.001 0.000 0.251 394 V C 2.775 178.837 176.094 -0.053 0.000 1.065 394 V CA 2.959 65.222 62.300 -0.062 0.000 1.049 394 V CB -1.527 30.221 31.823 -0.125 0.000 0.651 394 V HN 0.828 nan 8.190 nan 0.000 0.450 395 A N -0.323 122.434 122.820 -0.105 0.000 1.877 395 A HA -0.288 4.033 4.320 0.001 0.000 0.216 395 A C 2.349 179.875 177.584 -0.096 0.000 1.186 395 A CA 2.308 54.286 52.037 -0.098 0.000 0.620 395 A CB -0.518 18.411 19.000 -0.118 0.000 0.822 395 A HN 0.563 nan 8.150 nan 0.000 0.443 396 K N -0.406 119.792 120.400 -0.337 0.000 2.009 396 K HA -0.106 4.215 4.320 0.001 0.000 0.210 396 K C 2.169 178.618 176.600 -0.250 0.000 1.049 396 K CA 1.407 57.266 56.287 -0.713 0.000 0.929 396 K CB -0.360 31.585 32.500 -0.926 0.000 0.714 396 K HN 0.357 nan 8.250 nan 0.000 0.440 397 A N 0.609 123.366 122.820 -0.106 0.000 1.898 397 A HA -0.144 4.176 4.320 0.001 0.000 0.216 397 A C 2.021 179.641 177.584 0.060 0.000 1.181 397 A CA 1.355 53.395 52.037 0.006 0.000 0.620 397 A CB -0.867 18.151 19.000 0.030 0.000 0.819 397 A HN 0.545 nan 8.150 nan 0.000 0.442 398 F N 0.595 120.509 119.950 -0.059 0.000 2.065 398 F HA -0.317 4.211 4.527 0.001 0.000 0.298 398 F C 2.418 178.213 175.800 -0.008 0.000 1.112 398 F CA 2.113 60.085 58.000 -0.047 0.000 1.212 398 F CB -0.661 38.303 39.000 -0.060 0.000 0.975 398 F HN 0.297 nan 8.300 nan 0.000 0.476 399 C N 0.555 119.980 119.300 0.210 0.000 2.446 399 C HA -0.141 4.320 4.460 0.001 0.000 0.277 399 C C 2.423 177.492 174.990 0.132 0.000 1.275 399 C CA 1.153 60.285 59.018 0.190 0.000 1.727 399 C CB -1.147 26.872 27.740 0.465 0.000 2.010 399 C HN 0.511 nan 8.230 nan 0.000 0.486 400 D N 0.639 121.146 120.400 0.180 0.000 2.218 400 D HA -0.086 4.555 4.640 0.001 0.000 0.204 400 D C 1.830 178.147 176.300 0.028 0.000 0.976 400 D CA 0.757 54.861 54.000 0.174 0.000 0.853 400 D CB -0.359 40.551 40.800 0.184 0.000 0.939 400 D HN 0.233 nan 8.370 nan 0.000 0.481 401 L N 1.130 122.318 121.223 -0.058 0.000 2.201 401 L HA -0.079 4.262 4.340 0.001 0.000 0.212 401 L C 1.951 178.722 176.870 -0.165 0.000 1.105 401 L CA 1.406 56.171 54.840 -0.125 0.000 0.775 401 L CB -0.486 41.466 42.059 -0.179 0.000 0.913 401 L HN -0.102 nan 8.230 nan 0.000 0.440 402 E N 0.062 120.151 120.200 -0.184 0.000 2.028 402 E HA -0.124 4.227 4.350 0.001 0.000 0.191 402 E C -0.310 176.222 176.600 -0.113 0.000 0.988 402 E CA 1.522 57.822 56.400 -0.166 0.000 0.799 402 E CB -1.574 28.021 29.700 -0.176 0.000 0.755 402 E HN 0.402 nan 8.360 nan 0.000 0.447 403 P HA -0.099 nan 4.420 nan 0.000 0.216 403 P C 1.786 178.787 177.300 -0.497 0.000 1.150 403 P CA 1.107 64.073 63.100 -0.224 0.000 0.837 403 P CB -0.133 31.496 31.700 -0.118 0.000 0.786 404 I N -1.594 118.656 120.570 -0.533 0.000 2.286 404 I HA -0.254 3.917 4.170 0.001 0.000 0.248 404 I C 2.630 178.479 176.117 -0.446 0.000 1.115 404 I CA 1.405 62.223 61.300 -0.804 0.000 1.392 404 I CB -0.811 36.963 38.000 -0.376 0.000 1.065 404 I HN -0.125 nan 8.210 nan 0.000 0.418 405 Y N 1.142 121.242 120.300 -0.333 0.000 2.574 405 Y HA -0.197 4.353 4.550 0.001 0.000 0.294 405 Y C 2.312 178.121 175.900 -0.152 0.000 1.142 405 Y CA 1.499 59.477 58.100 -0.202 0.000 1.314 405 Y CB -0.104 38.238 38.460 -0.196 0.000 0.991 405 Y HN 0.032 nan 8.280 nan 0.000 0.555 406 T N -0.572 113.874 114.554 -0.180 0.000 3.056 406 T HA 0.038 4.389 4.350 0.001 0.000 0.241 406 T C -0.227 174.412 174.700 -0.102 0.000 1.006 406 T CA 0.444 62.450 62.100 -0.157 0.000 1.115 406 T CB -0.294 68.502 68.868 -0.121 0.000 0.939 406 T HN 0.270 nan 8.240 nan 0.000 0.462 407 Y N 1.652 121.884 120.300 -0.113 0.000 2.289 407 Y HA 0.569 5.120 4.550 0.001 0.000 0.332 407 Y C 0.713 176.576 175.900 -0.061 0.000 1.324 407 Y CA -2.059 55.981 58.100 -0.099 0.000 1.478 407 Y CB -0.358 38.042 38.460 -0.101 0.000 1.378 407 Y HN 0.182 nan 8.280 nan 0.000 0.558 408 E N -0.102 120.288 120.200 0.316 0.000 2.586 408 E HA -0.052 4.299 4.350 0.001 0.000 0.259 408 E C 0.056 176.706 176.600 0.083 0.000 1.107 408 E CA 1.565 58.054 56.400 0.148 0.000 0.754 408 E CB -1.522 28.288 29.700 0.183 0.000 1.335 408 E HN 1.662 nan 8.360 nan 0.000 0.411 409 G N -0.837 108.005 108.800 0.070 0.000 2.879 409 G HA2 -0.079 3.882 3.960 0.001 0.000 0.686 409 G HA3 -0.079 3.882 3.960 0.001 0.000 0.686 409 G C 0.177 175.069 174.900 -0.013 0.000 1.115 409 G CA 0.014 45.134 45.100 0.033 0.000 0.770 409 G HN 0.900 nan 8.290 nan 0.000 0.601 410 T N 0.453 114.986 114.554 -0.035 0.000 2.726 410 T HA 0.381 4.732 4.350 0.001 0.000 0.294 410 T C 1.374 175.986 174.700 -0.147 0.000 1.013 410 T CA 0.720 62.754 62.100 -0.109 0.000 0.996 410 T CB 0.881 69.709 68.868 -0.068 0.000 1.016 410 T HN 1.299 nan 8.240 nan 0.000 0.529 411 Y N 1.253 121.289 120.300 -0.440 0.000 2.128 411 Y HA -0.132 4.419 4.550 0.001 0.000 0.284 411 Y C 1.934 177.739 175.900 -0.158 0.000 1.154 411 Y CA 2.302 60.169 58.100 -0.388 0.000 1.149 411 Y CB -0.871 37.209 38.460 -0.633 0.000 0.976 411 Y HN 0.804 nan 8.280 nan 0.000 0.505 412 D N 0.155 120.490 120.400 -0.109 0.000 2.078 412 D HA -0.224 4.417 4.640 0.001 0.000 0.193 412 D C 2.220 178.457 176.300 -0.106 0.000 0.990 412 D CA 1.869 55.801 54.000 -0.114 0.000 0.827 412 D CB -0.289 40.509 40.800 -0.003 0.000 0.975 412 D HN 0.240 nan 8.370 nan 0.000 0.451 413 I N 0.934 121.498 120.570 -0.009 0.000 2.163 413 I HA -0.251 3.920 4.170 0.001 0.000 0.243 413 I C 1.813 177.990 176.117 0.100 0.000 1.085 413 I CA 1.440 62.816 61.300 0.127 0.000 1.347 413 I CB -1.116 36.963 38.000 0.131 0.000 1.044 413 I HN 0.061 nan 8.210 nan 0.000 0.408 414 N N 0.234 118.923 118.700 -0.019 0.000 2.069 414 N HA -0.189 4.552 4.740 0.001 0.000 0.191 414 N C 1.781 177.235 175.510 -0.094 0.000 1.031 414 N CA 2.514 55.541 53.050 -0.039 0.000 0.852 414 N CB -0.202 38.245 38.487 -0.065 0.000 1.018 414 N HN 0.497 nan 8.380 nan 0.000 0.423 415 T N -0.603 113.805 114.554 -0.244 0.000 2.759 415 T HA -0.112 4.239 4.350 0.001 0.000 0.269 415 T C 1.809 176.396 174.700 -0.187 0.000 1.042 415 T CA 0.921 62.860 62.100 -0.269 0.000 1.140 415 T CB -0.546 68.050 68.868 -0.452 0.000 0.864 415 T HN 0.137 nan 8.240 nan 0.000 0.455 416 L N 0.544 121.644 121.223 -0.205 0.000 2.291 416 L HA 0.054 4.394 4.340 0.001 0.000 0.214 416 L C 2.751 179.492 176.870 -0.216 0.000 1.120 416 L CA 0.271 54.892 54.840 -0.364 0.000 0.799 416 L CB -0.355 41.275 42.059 -0.714 0.000 0.925 416 L HN 0.180 nan 8.230 nan 0.000 0.446 417 V N -0.679 119.298 119.914 0.104 0.000 2.358 417 V HA -0.235 3.886 4.120 0.001 0.000 0.246 417 V C 2.471 178.614 176.094 0.081 0.000 1.047 417 V CA 2.242 64.686 62.300 0.238 0.000 1.035 417 V CB -0.602 31.338 31.823 0.195 0.000 0.658 417 V HN 0.462 nan 8.190 nan 0.000 0.452 418 T N 0.283 114.843 114.554 0.010 0.000 2.812 418 T HA -0.060 4.291 4.350 0.001 0.000 0.264 418 T C 1.982 176.664 174.700 -0.030 0.000 1.042 418 T CA 1.373 63.466 62.100 -0.011 0.000 1.140 418 T CB -0.658 68.194 68.868 -0.026 0.000 0.870 418 T HN 0.585 nan 8.240 nan 0.000 0.445 419 G N 1.689 110.447 108.800 -0.070 0.000 2.476 419 G HA2 -0.311 3.650 3.960 0.001 0.000 0.218 419 G HA3 -0.311 3.650 3.960 0.001 0.000 0.218 419 G C 1.556 176.415 174.900 -0.067 0.000 1.164 419 G CA 1.066 46.114 45.100 -0.087 0.000 0.768 419 G HN 0.457 nan 8.290 nan 0.000 0.560 420 R N 0.533 120.994 120.500 -0.065 0.000 2.091 420 R HA -0.099 4.242 4.340 0.001 0.000 0.238 420 R C 2.424 178.735 176.300 0.017 0.000 1.136 420 R CA 1.954 58.050 56.100 -0.007 0.000 0.959 420 R CB -0.393 29.961 30.300 0.090 0.000 0.856 420 R HN 0.545 nan 8.270 nan 0.000 0.437 421 E N 0.009 120.222 120.200 0.022 0.000 2.047 421 E HA -0.149 4.202 4.350 0.001 0.000 0.191 421 E C 1.926 178.528 176.600 0.004 0.000 0.987 421 E CA 1.647 58.059 56.400 0.018 0.000 0.799 421 E CB 0.092 29.804 29.700 0.020 0.000 0.752 421 E HN 0.367 nan 8.360 nan 0.000 0.449 422 V N -0.774 119.136 119.914 -0.006 0.000 2.667 422 V HA -0.090 4.031 4.120 0.001 0.000 0.252 422 V C 2.251 178.339 176.094 -0.010 0.000 1.065 422 V CA 1.863 64.157 62.300 -0.010 0.000 1.083 422 V CB -0.753 31.061 31.823 -0.015 0.000 0.692 422 V HN 0.400 nan 8.190 nan 0.000 0.468 423 T N -3.623 110.923 114.554 -0.014 0.000 3.037 423 T HA 0.409 4.760 4.350 0.001 0.000 0.252 423 T C 1.810 176.505 174.700 -0.007 0.000 1.073 423 T CA 1.023 63.114 62.100 -0.014 0.000 1.091 423 T CB 0.351 69.205 68.868 -0.024 0.000 0.935 423 T HN 1.558 nan 8.240 nan 0.000 0.488 424 G N 1.535 110.335 108.800 -0.001 0.000 2.184 424 G HA2 -0.202 3.759 3.960 0.001 0.000 0.264 424 G HA3 -0.202 3.759 3.960 0.001 0.000 0.264 424 G C -0.019 174.887 174.900 0.010 0.000 0.975 424 G CA 0.323 45.427 45.100 0.007 0.000 0.642 424 G HN 0.684 nan 8.290 nan 0.000 0.536 425 I N 0.932 121.503 120.570 0.002 0.000 2.436 425 I HA 0.650 4.821 4.170 0.001 0.000 0.289 425 I C 0.588 176.703 176.117 -0.003 0.000 1.010 425 I CA -0.793 60.508 61.300 0.002 0.000 1.098 425 I CB 2.030 40.024 38.000 -0.010 0.000 1.266 425 I HN 0.218 nan 8.210 nan 0.000 0.434 426 A N 3.774 126.613 122.820 0.032 0.000 2.363 426 A HA 0.482 4.803 4.320 0.001 0.000 0.270 426 A C 0.427 178.002 177.584 -0.015 0.000 1.121 426 A CA -0.079 51.994 52.037 0.061 0.000 0.800 426 A CB 0.662 19.774 19.000 0.187 0.000 1.052 426 A HN 0.658 nan 8.150 nan 0.000 0.493 427 S N 1.625 117.222 115.700 -0.172 0.000 2.617 427 S HA 0.393 4.864 4.470 0.001 0.000 0.237 427 S C -0.028 174.412 174.600 -0.266 0.000 1.142 427 S CA -0.385 57.708 58.200 -0.178 0.000 1.167 427 S CB -0.607 62.484 63.200 -0.183 0.000 1.068 427 S HN 0.596 nan 8.310 nan 0.000 0.470 428 F N 1.406 121.350 119.950 -0.011 0.000 2.220 428 F HA 0.377 4.905 4.527 0.001 0.000 0.290 428 F C 1.352 177.144 175.800 -0.012 0.000 1.080 428 F CA 0.156 58.148 58.000 -0.014 0.000 1.318 428 F CB 0.039 39.030 39.000 -0.014 0.000 1.063 428 F HN 0.018 nan 8.300 nan 0.000 0.498 429 K N 1.745 122.255 120.400 0.184 0.000 2.258 429 K HA 0.150 4.471 4.320 0.001 0.000 0.264 429 K C -2.133 174.499 176.600 0.052 0.000 1.007 429 K CA -1.514 54.831 56.287 0.096 0.000 0.941 429 K CB -0.102 32.442 32.500 0.074 0.000 0.966 429 K HN -0.060 nan 8.250 nan 0.000 0.480 430 P HA 0.216 nan 4.420 nan 0.000 0.283 430 P C -1.147 176.163 177.300 0.017 0.000 1.271 430 P CA -0.718 62.396 63.100 0.023 0.000 0.841 430 P CB 1.022 32.736 31.700 0.022 0.000 1.122 431 A N 0.468 123.295 122.820 0.012 0.000 2.547 431 A HA 0.495 4.816 4.320 0.001 0.000 0.233 431 A C 0.699 178.289 177.584 0.010 0.000 1.067 431 A CA 1.593 53.636 52.037 0.009 0.000 0.763 431 A CB -1.395 17.609 19.000 0.007 0.000 1.007 431 A HN 1.098 nan 8.150 nan 0.000 0.506 432 T N 0.000 114.559 114.554 0.009 0.000 3.816 432 T HA 0.000 4.351 4.350 0.001 0.000 0.228 432 T CA 0.000 nan 62.100 nan 0.000 1.349 432 T CB 0.000 nan 68.868 nan 0.000 0.612 432 T HN 0.000 nan 8.240 nan 0.000 0.658